#DEFINITION	Reference Metabolome for Coffea arabica
#IDENTTFIER	RefMeta-Coffea arabica.R1
#FORMAT	msr
#VERSION	1.0/R1
#KEYWORDS	RefMeta
#ORGANISM	Coffea arabica
#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 Coffea arabica was generated from multi-tissue LC-MS/MS data with redundance removed
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	999.2199
Annotation	Unknow
Peak:m/z	Relative Intensity
71.61697	0.2
83.47266	0.2
83.80569	0.2
85.54111	0.3
93.35168	0.2
109.02940	3.1
123.04532	0.5
125.02433	3.4
128.03540	0.4
133.06830	0.2
135.00850	0.3
136.01741	0.2
137.02443	1.0
143.04608	0.5
149.02403	0.3
151.00372	0.3
151.03996	0.3
159.04507	0.2
161.02458	1.2
163.00369	0.6
163.03996	0.3
164.01085	0.3
165.01913	0.4
171.04559	0.2
173.06053	0.2
175.03938	0.3
177.01886	0.2
185.44545	0.2
186.03172	0.2
187.03987	0.4
188.04663	0.3
190.99907	0.3
191.03806	0.4
191.05597	1.6
192.05948	0.3
199.03973	0.5
201.05484	0.4
203.03561	0.3
203.07144	0.4
205.04967	0.3
213.02068	0.2
214.02705	0.3
215.03513	1.6
217.01489	0.3
217.05154	0.3
227.03476	0.8
229.01485	0.3
229.05011	1.2
230.02173	0.4
231.02975	0.6
242.02200	0.3
243.02908	1.7
244.03659	0.5
245.04425	0.7
245.08064	0.5
255.02908	1.3
256.03516	0.3
257.04510	0.5
258.01645	14.7
259.02426	20.7
260.02747	0.8
270.01599	0.4
271.02441	21.2
272.03217	18.8
273.03967	4.9
274.04272	0.3
281.04630	0.3
283.02426	0.9
285.03986	6.0
286.04321	0.4
287.05417	0.5
289.07132	1.9
297.03973	0.4
298.01190	2.4
299.01978	1.1
301.03497	66.1
302.03854	3.0
304.02127	0.4
306.07672	1.3
313.03516	3.9
314.03854	0.2
315.05096	1.4
325.03561	0.5
331.04547	43.0
332.04926	1.8
339.05045	0.3
343.04565	1.2
355.04492	0.7
361.05670	0.3
367.04330	0.3
373.05481	0.7
385.05627	0.9
403.06558	3.6
404.14780	0.7
407.07626	2.3
421.07700	100.0
422.02475	0.3
422.08032	4.8
425.08679	3.5
451.10159	0.8
577.13409	2.7
686.25568	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	997.2971
Annotation	Unknow
Peak:m/z	Relative Intensity
69.43950	1.2
69.44366	0.9
69.47301	0.2
71.01379	1.6
73.02950	0.3
79.56695	0.2
81.03455	0.5
83.05020	1.1
85.02950	6.1
87.00868	1.8
91.05521	0.3
93.03453	16.0
96.96011	0.4
98.19910	0.6
99.00861	0.3
99.04510	0.3
107.05024	1.1
109.02946	1.7
111.00868	0.8
111.04514	5.3
117.03474	0.4
123.04552	0.3
125.02483	0.4
127.04017	2.3
133.02953	5.0
134.03740	3.1
135.04517	50.9
136.04851	1.0
137.02432	4.3
153.02023	0.3
155.03500	6.7
159.04485	0.6
161.02426	17.2
162.02797	0.5
171.03087	0.4
173.04532	55.3
174.04865	1.0
179.03484	49.9
180.03847	1.6
187.07629	1.2
191.05594	76.6
192.05931	1.8
201.05388	0.2
202.06354	0.9
203.03448	1.0
211.07686	0.6
213.09123	0.8
215.07164	0.3
229.08583	0.3
231.10255	1.7
255.06593	0.7
275.09332	0.5
276.46777	0.3
285.03687	0.3
317.06552	0.4
335.07730	5.3
353.08737	36.6
354.09042	1.7
395.51746	0.3
399.18323	0.4
415.18066	0.4
449.14487	10.8
450.14954	0.8
481.17020	4.5
515.11890	100.0
516.12225	7.4
517.12427	0.4
729.71204	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	995.2453
Annotation	Unknow
Peak:m/z	Relative Intensity
71.61451	0.6
71.61803	0.6
75.41218	0.5
77.29912	0.5
81.03452	0.8
83.01392	6.7
83.05022	0.8
85.02952	11.9
87.00897	2.6
93.03458	6.4
97.98208	0.6
99.04543	0.6
107.46041	0.5
109.02941	4.5
111.04498	1.5
117.03438	0.8
121.02950	3.8
123.04561	2.8
125.02442	1.3
127.04008	2.9
133.02933	0.7
135.04498	1.5
137.02458	0.8
139.03984	0.8
143.04979	0.5
145.02916	1.6
147.04524	2.3
149.02402	1.5
151.03978	1.9
155.05019	9.8
157.02913	1.0
159.04503	1.7
161.02432	1.3
161.06059	1.4
163.04031	1.5
171.04488	2.7
173.02420	21.0
173.04559	3.2
173.05916	1.1
174.03217	17.0
175.03983	9.4
180.95709	0.5
182.03685	0.9
183.04486	1.2
185.06039	0.9
187.03995	2.3
188.04774	0.8
189.05524	2.7
191.05598	80.8
192.05928	2.9
195.04485	0.9
198.03162	3.2
199.03993	46.9
200.04353	2.3
201.01924	5.4
201.05493	0.9
203.03465	0.6
203.07147	0.7
205.05061	3.5
209.06036	1.6
211.03976	3.9
212.04817	1.3
213.05530	4.5
213.16818	0.5
215.03424	0.6
217.05052	1.6
219.02898	1.2
225.05597	1.4
229.04868	2.6
230.05615	1.0
231.02919	1.6
231.06575	1.6
240.04285	1.1
241.05003	2.2
242.02170	0.6
243.02882	3.5
243.06718	0.6
247.05879	0.8
253.05087	7.3
255.02878	1.0
255.06628	8.1
261.37662	0.5
269.04376	0.9
273.03915	0.9
279.02802	0.7
281.04553	1.2
295.02802	0.6
295.06021	1.2
297.03983	4.0
299.05331	0.6
353.08655	1.0
363.08682	3.2
387.08762	2.2
405.09741	41.3
406.09998	3.1
407.07529	2.9
423.10818	2.2
448.07388	0.7
449.08740	32.9
450.09314	2.8
467.09888	1.3
489.10196	4.2
539.52094	0.6
641.15051	100.0
642.15369	10.7
643.16235	0.8
995.23608	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	995.2458
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01376	1.2
73.29452	0.6
74.83585	0.5
75.59984	0.5
75.78797	0.5
81.03452	0.7
83.01396	1.6
83.05029	0.8
85.02945	14.9
87.00870	3.2
93.03452	6.1
94.94901	0.5
95.01376	1.4
98.20643	1.1
99.04523	0.8
108.02204	0.6
109.02943	7.4
111.04528	2.0
113.02484	0.7
121.02948	1.5
122.03792	0.6
123.00887	1.7
123.04530	4.7
125.02452	1.3
126.28345	0.5
127.04029	4.0
130.04071	0.6
133.02925	0.7
135.04457	1.1
137.02435	1.4
139.03966	1.1
143.05055	1.1
145.02936	1.4
146.03764	0.6
147.04471	1.7
149.02457	2.0
150.03168	0.8
151.04013	1.7
152.91869	0.5
153.02022	0.6
155.04999	1.5
157.02956	0.6
159.04515	3.8
161.02423	2.2
161.06096	1.4
163.00356	5.8
163.04027	2.4
164.01102	0.5
167.04991	0.7
169.06599	0.5
171.03047	1.1
171.04521	1.3
172.26021	0.6
173.02452	3.4
173.04539	2.8
173.06003	1.3
174.03206	7.9
175.03993	17.5
176.04378	1.0
181.06586	2.2
182.03717	0.9
183.04521	1.6
185.06096	1.6
187.03999	5.5
189.05585	1.8
190.02618	0.7
191.05598	100.0
192.05952	3.6
193.06039	0.8
195.04385	0.9
196.05231	1.0
197.06100	2.5
198.03209	3.1
199.03990	13.8
200.04614	0.6
201.01945	4.9
201.05568	1.0
203.03476	0.7
205.05035	2.6
207.04533	0.7
209.06073	8.7
210.03232	1.2
211.04010	9.4
212.04686	2.7
213.05554	6.3
214.02687	2.1
215.03497	5.9
216.07274	0.6
217.05009	3.4
223.03975	1.5
224.04747	2.2
225.05530	9.6
226.06303	1.5
227.03471	5.0
227.07076	1.2
228.04155	0.8
229.05020	4.7
231.02933	2.1
231.06598	0.7
235.03960	4.2
236.04672	0.7
237.05675	0.7
238.02635	0.7
239.03549	2.4
240.04317	4.3
241.05016	4.3
242.02213	1.5
243.02956	31.9
244.03416	2.4
245.04533	0.7
251.03462	8.3
252.04205	0.8
253.05048	27.2
254.05638	3.6
255.02983	1.4
255.06615	2.5
256.03574	1.3
257.04489	1.9
267.03180	0.7
269.04550	1.8
271.06036	2.0
273.04065	4.8
279.02988	10.4
280.03448	1.9
281.04514	4.0
282.04688	0.5
285.03900	0.6
286.04535	0.6
295.05933	0.6
297.04019	58.2
298.04379	4.1
299.05008	1.0
363.08752	8.7
381.09564	2.7
405.09793	7.3
406.09888	0.7
407.07712	2.0
423.10849	5.6
424.11224	0.6
431.07898	1.5
449.08746	93.3
450.09094	8.3
451.09109	1.0
467.10242	1.1
470.53244	0.6
489.10526	1.3
522.55780	0.6
580.95013	0.6
619.84296	0.5
641.15088	75.2
642.15540	8.7
643.15759	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	993.4316
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03430	2.1
70.34970	2.6
71.01373	5.1
73.02940	1.1
80.02614	0.9
81.03445	5.4
82.15708	0.8
83.01384	10.4
83.05016	1.5
85.02950	5.0
87.00870	2.4
89.02438	2.6
89.03891	0.8
93.03451	11.6
95.01392	2.5
95.05025	6.0
96.96002	8.4
97.02942	12.7
99.04526	1.2
100.04072	0.8
101.02420	3.8
105.03508	0.7
107.05024	1.7
108.02172	3.6
109.02945	38.6
111.04492	1.3
113.02432	2.7
117.03489	1.6
119.04937	0.9
121.02948	9.0
122.03726	3.3
123.00861	1.1
123.04514	26.4
124.01642	2.0
125.02439	30.5
125.09721	1.5
127.03950	0.9
131.03484	1.0
133.02943	5.2
134.03732	1.5
135.04506	10.6
137.02429	32.1
138.03186	2.4
139.03995	8.5
143.03485	1.6
143.05005	0.8
145.02931	2.5
146.03711	3.4
147.04529	1.2
148.01704	0.8
149.02426	12.7
149.06017	0.9
150.03166	2.4
151.00322	1.5
151.03983	16.4
158.03769	1.0
159.04480	8.8
159.08040	0.9
160.05241	2.8
161.02437	9.5
161.04631	1.6
161.06050	13.2
162.03242	4.5
163.00348	3.2
163.03989	2.3
163.11287	1.8
164.01147	9.0
165.01912	11.6
165.05565	1.5
166.02675	1.0
167.03461	4.4
167.27666	0.8
173.04543	4.9
173.06075	2.1
174.03157	2.2
175.03964	7.9
175.07610	3.3
176.01099	2.1
177.01888	6.7
177.05544	2.8
178.02582	1.2
179.03494	14.8
183.04404	0.9
185.06079	2.9
187.04016	10.9
188.04779	8.3
189.05438	0.9
191.05591	17.3
192.05936	1.6
199.07657	1.8
200.04782	1.1
201.05513	2.2
202.06297	4.0
203.03511	1.8
203.07120	32.0
205.05037	22.4
205.06990	1.1
206.05319	0.8
207.10289	1.2
209.11801	8.9
212.04749	2.0
213.05554	1.5
217.05116	1.5
217.08672	1.0
221.08192	4.4
223.13391	2.1
227.07111	5.3
230.05856	1.6
231.02960	2.2
245.08162	39.6
246.08569	1.6
247.06087	3.2
247.13176	0.8
253.09325	1.0
255.06615	15.7
256.06915	2.1
271.06146	1.3
283.02261	1.2
289.07150	100.0
290.07587	3.7
291.12103	0.9
297.07669	2.2
307.10416	1.0
327.15878	2.2
343.15265	1.2
351.07370	1.1
371.15042	6.4
455.35098	1.3
483.89413	0.8
497.17902	1.7
503.33856	1.4
563.21399	17.1
564.21594	3.4
601.19794	1.2
755.36804	1.0
809.35767	1.9
841.38580	5.1
943.38165	3.7
949.40692	1.6
961.40637	79.4
962.40692	9.8
975.40735	1.5
993.43298	54.2
994.43518	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	987.4436
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99812	1.5
69.03431	1.1
69.89088	0.9
69.89503	0.7
71.01378	27.8
72.99308	5.5
73.02944	2.3
75.00865	13.9
79.05533	0.9
81.03441	0.5
83.01373	1.9
83.05010	0.7
84.02153	0.6
85.02946	28.7
86.03284	0.4
87.00322	0.5
87.00871	9.0
88.63949	0.3
89.02443	5.7
91.03979	1.0
93.03440	2.0
93.07103	0.4
94.79920	0.3
95.01378	6.1
95.05017	1.0
96.95984	1.0
97.02894	0.4
98.20628	0.3
99.00877	9.4
99.04501	1.0
101.02435	2.9
103.00366	2.7
104.49525	0.3
107.05005	1.0
109.02944	0.7
111.00858	0.8
111.04502	0.4
112.01637	0.8
113.02444	33.7
113.06081	0.4
114.02781	0.6
115.00392	1.6
117.01920	2.3
119.12263	0.3
123.77007	0.3
127.04030	0.6
129.01913	1.9
131.03477	0.7
132.96890	0.3
135.04533	1.0
137.02350	0.3
139.00363	0.3
145.10222	0.5
149.04546	0.9
151.03893	0.3
157.01408	1.3
157.06557	0.7
159.11761	0.6
161.02361	0.8
161.04497	0.7
161.09665	0.5
161.13350	19.5
162.13670	0.6
169.10182	0.7
171.08041	0.4
172.09077	0.4
173.04587	0.5
175.02478	1.7
185.04836	0.4
185.09650	0.5
187.11266	10.8
191.05630	2.1
195.26642	0.3
205.07152	5.0
205.12317	13.7
206.12622	0.4
207.05113	1.6
213.09178	1.0
231.05043	1.0
231.10150	0.8
249.03746	0.6
249.06139	9.5
249.11328	0.6
267.07184	36.4
268.07550	0.9
301.03119	0.4
373.22565	0.6
392.85376	0.3
393.18994	0.9
437.18164	1.6
455.18954	0.5
481.17111	5.3
482.17740	0.6
499.18085	0.5
623.45435	0.4
657.15814	0.4
784.89972	0.4
987.44330	100.0
988.44781	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	987.4436
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99812	1.5
69.03431	1.1
69.89088	0.9
69.89503	0.7
71.01378	27.8
72.99308	5.5
73.02944	2.3
75.00865	13.9
79.05533	0.9
81.03441	0.5
83.01373	1.9
83.05010	0.7
84.02153	0.6
85.02946	28.7
86.03284	0.4
87.00322	0.5
87.00871	9.0
88.63949	0.3
89.02443	5.7
91.03979	1.0
93.03440	2.0
93.07103	0.4
94.79920	0.3
95.01378	6.1
95.05017	1.0
96.95984	1.0
97.02894	0.4
98.20628	0.3
99.00877	9.4
99.04501	1.0
101.02435	2.9
103.00366	2.7
104.49525	0.3
107.05005	1.0
109.02944	0.7
111.00858	0.8
111.04502	0.4
112.01637	0.8
113.02444	33.7
113.06081	0.4
114.02781	0.6
115.00392	1.6
117.01920	2.3
119.12263	0.3
123.77007	0.3
127.04030	0.6
129.01913	1.9
131.03477	0.7
132.96890	0.3
135.04533	1.0
137.02350	0.3
139.00363	0.3
145.10222	0.5
149.04546	0.9
151.03893	0.3
157.01408	1.3
157.06557	0.7
159.11761	0.6
161.02361	0.8
161.04497	0.7
161.09665	0.5
161.13350	19.5
162.13670	0.6
169.10182	0.7
171.08041	0.4
172.09077	0.4
173.04587	0.5
175.02478	1.7
185.04836	0.4
185.09650	0.5
187.11266	10.8
191.05630	2.1
195.26642	0.3
205.07152	5.0
205.12317	13.7
206.12622	0.4
207.05113	1.6
213.09178	1.0
231.05043	1.0
231.10150	0.8
249.03746	0.6
249.06139	9.5
249.11328	0.6
267.07184	36.4
268.07550	0.9
301.03119	0.4
373.22565	0.6
392.85376	0.3
393.18994	0.9
437.18164	1.6
455.18954	0.5
481.17111	5.3
482.17740	0.6
499.18085	0.5
623.45435	0.4
657.15814	0.4
784.89972	0.4
987.44330	100.0
988.44781	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	985.4276
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99796	1.5
69.03438	1.2
71.01379	24.0
71.38236	0.7
72.99306	4.6
73.02961	2.2
75.00450	0.8
75.00868	12.8
79.05511	0.7
81.03444	0.7
81.07072	0.5
83.01379	1.8
83.05016	0.7
85.02944	27.0
87.00874	7.7
89.01920	0.5
89.02440	6.8
89.39530	0.3
91.04018	0.9
93.03436	1.3
95.01373	5.4
95.05009	0.7
96.51693	0.4
96.95966	0.7
97.02921	0.5
99.00871	9.2
99.04502	1.5
101.02412	3.2
103.00336	2.0
107.04994	1.0
109.02974	0.6
111.00853	1.0
112.01649	1.0
113.02444	31.2
113.06026	0.5
113.44685	0.4
115.00348	1.0
117.01921	1.8
120.05780	0.5
123.04540	0.5
123.08160	0.5
125.87947	0.4
129.01912	1.8
131.03461	1.4
135.04489	1.2
139.00392	0.7
143.03484	0.5
156.64510	0.4
157.01440	0.6
157.06558	0.5
161.09680	0.8
161.13345	16.5
162.13612	0.5
169.10223	0.8
171.08060	0.5
175.02422	1.7
185.09622	0.7
187.11284	9.6
191.05577	1.3
205.07143	4.1
205.12306	12.8
206.12695	0.9
207.05066	1.7
213.09187	1.4
231.05031	0.8
249.06126	8.8
249.11440	0.5
267.07184	34.9
268.07547	1.0
343.15445	0.5
393.18933	1.0
437.18146	1.3
455.19351	0.6
469.88123	0.4
481.17078	4.7
499.18170	0.7
546.21606	0.5
660.16821	0.5
687.72235	0.5
712.35370	0.6
735.35828	0.6
961.93018	0.5
967.39215	0.4
985.42773	100.0
986.43201	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	985.4277
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99810	1.1
69.03445	0.9
71.01378	22.1
72.99310	6.1
73.02929	2.0
73.27022	0.4
75.00870	11.6
81.03455	0.6
83.01367	1.3
83.05028	0.9
85.02946	25.6
86.03262	0.6
87.00386	0.7
87.00869	8.4
89.02443	5.3
91.03975	0.6
93.03433	1.9
95.01379	6.3
95.05022	0.9
96.96010	3.8
97.02906	0.5
99.00872	10.0
99.04496	0.9
101.02437	3.6
103.00370	2.4
107.05012	0.6
109.02958	0.7
111.00854	1.2
112.01588	0.5
113.02442	29.2
113.06072	2.2
114.02811	0.5
115.00359	1.6
117.01901	2.4
121.02963	0.5
123.04474	0.4
125.02431	1.2
127.04048	0.6
129.01897	1.8
131.03513	1.1
133.02939	0.6
135.04539	3.0
137.02446	0.6
139.00357	0.4
149.04477	1.0
157.01361	1.0
157.06551	0.5
161.02345	0.6
161.04468	0.7
161.13345	12.1
162.13667	0.6
169.10220	0.8
173.04414	0.7
175.02422	1.7
176.69872	0.5
179.03477	0.8
185.09631	1.2
187.11261	9.6
191.05592	4.3
205.07175	3.4
205.12302	10.5
207.05028	2.0
213.09152	1.4
231.05002	1.1
249.06107	10.4
249.11411	0.7
267.07175	32.1
268.07486	0.6
284.72882	0.5
289.07114	0.5
363.13019	2.5
373.38385	0.5
437.18155	1.6
481.17218	4.3
499.18182	1.9
537.91772	0.5
895.30450	0.5
985.42755	100.0
986.43066	15.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	983.4123
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99814	1.3
69.03442	1.5
71.01376	28.4
72.99303	5.8
73.02936	2.7
75.00454	0.9
75.00867	15.4
79.05538	0.6
79.95744	0.7
81.03471	0.9
83.01375	1.5
83.05007	0.7
85.02946	26.9
85.69254	0.5
87.00867	10.5
89.02438	8.4
91.03970	0.8
93.03447	2.3
95.01376	5.6
95.05035	1.1
96.96001	9.1
97.02956	0.7
98.95583	0.6
99.00874	13.9
99.04514	2.0
101.02425	3.3
103.00386	2.5
107.05027	1.2
109.02944	1.2
111.00868	1.1
112.01683	0.8
113.02442	37.0
113.06100	0.8
114.02767	0.6
115.00364	1.5
117.01909	1.5
125.02415	1.3
127.03989	1.0
129.01878	1.4
131.03467	1.6
135.04556	3.5
137.02435	1.1
147.04515	0.6
149.04541	1.2
150.03125	1.4
151.00397	0.5
151.03996	1.0
157.01389	1.2
157.06560	0.7
159.11743	0.7
161.02425	0.9
161.09706	0.8
161.13342	19.2
165.05551	1.2
171.08142	0.8
173.04466	0.9
173.05850	0.6
175.02472	1.8
177.01855	0.8
179.03452	1.2
187.11273	11.4
190.72461	0.5
191.05592	4.9
205.07158	4.0
205.12305	15.4
207.05096	1.6
213.09140	1.2
231.04997	1.0
231.10199	0.6
249.06105	10.4
249.08505	1.1
249.11089	0.7
267.07184	33.9
268.07538	1.1
289.07251	0.6
335.22372	0.8
352.08298	0.6
365.17566	0.8
387.68481	0.5
393.19089	1.1
437.18091	1.4
449.14520	0.7
455.19357	0.8
481.17328	4.0
482.17429	0.6
580.08392	0.7
793.27759	1.4
983.41150	100.0
984.41650	14.2
984.61591	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	983.2821
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03461	0.6
71.01372	2.9
71.01645	0.2
71.62263	0.3
78.26311	0.3
79.95741	0.4
81.03449	0.9
83.01343	0.5
83.05029	1.0
85.02948	4.1
87.00874	1.6
91.00784	0.3
91.05536	0.3
93.03452	24.5
96.96008	1.5
99.04536	0.6
107.05055	0.6
109.02924	1.9
111.00867	0.9
111.04516	5.4
113.02438	0.5
121.00610	0.3
121.02972	0.5
127.03979	1.6
133.02913	2.6
134.03732	2.6
135.04518	63.3
136.04858	1.3
137.02434	6.2
151.03966	0.5
155.03494	5.8
155.08437	0.4
159.04498	0.3
161.02437	6.9
173.04533	100.0
174.03528	0.5
174.04848	2.2
175.03876	0.5
177.01924	0.6
179.03484	73.1
180.03828	1.6
187.03889	0.5
187.07646	1.1
191.05594	48.8
192.05948	1.2
203.03464	4.6
227.07217	0.4
231.10118	0.4
243.03085	0.4
255.06573	0.9
257.08203	0.8
259.60190	0.3
271.02429	0.8
275.09305	1.0
289.07117	0.6
293.10275	0.5
299.05670	2.5
300.02774	0.5
301.03564	0.8
310.88083	0.3
317.06628	2.9
335.07745	1.3
353.08740	87.0
354.09067	3.8
371.09885	1.4
406.79102	0.3
415.17963	0.7
447.09149	1.4
448.09888	0.3
449.09253	0.4
449.14267	1.8
467.15735	2.0
469.11572	1.7
515.11902	75.5
516.12323	5.0
644.90210	0.4
764.68506	0.3
983.29071	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	977.7071
Annotation	Unknow
Peak:m/z	Relative Intensity
69.23023	0.1
69.57773	0.8
69.84395	0.1
88.98775	0.1
96.96007	0.4
100.34917	0.1
111.64862	0.1
113.63425	0.1
129.56241	0.1
191.05684	0.2
285.33594	0.2
360.13522	0.2
388.59818	0.1
391.29907	0.7
487.34229	100.0
488.34583	11.9
489.34903	2.4
994.09570	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	981.2455
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01390	1.2
81.03468	0.5
83.05022	0.6
85.02930	1.9
87.00880	0.7
89.03948	0.4
93.03455	10.6
95.01426	0.4
95.05007	0.9
96.28828	0.3
96.96016	0.7
98.20647	0.7
103.05511	0.5
105.03455	0.6
107.04992	0.4
107.75411	0.3
108.02168	0.5
109.02947	18.0
111.00874	0.4
111.04520	1.8
117.03455	0.6
119.05020	0.7
121.02952	0.7
122.03757	0.3
123.04516	10.1
127.03967	0.3
133.02936	4.6
134.03746	3.3
135.04518	22.3
136.04883	0.6
137.02446	2.7
145.02942	1.2
147.04524	3.0
149.02441	1.0
150.03172	0.7
151.03989	4.3
155.03531	2.0
159.04501	1.1
161.02429	8.9
163.03992	0.4
173.04538	28.0
174.04807	0.7
175.04010	0.6
176.01160	1.0
177.01913	19.6
178.02220	0.3
179.03484	17.8
180.03822	0.4
187.03976	1.3
189.01917	45.3
190.02689	8.7
191.03499	8.8
191.05592	22.4
192.05934	0.5
193.05078	1.3
203.03500	5.4
216.00594	6.4
217.01389	33.8
218.02075	2.5
219.02968	11.6
220.03310	0.4
231.02972	11.5
232.03563	1.3
233.04514	0.9
239.06703	0.9
281.04553	1.2
289.07166	1.2
297.07724	0.7
299.05457	1.1
323.05576	1.5
335.07730	0.9
341.06638	80.5
342.07053	4.3
349.08990	0.3
353.08759	23.5
354.08926	0.6
367.10309	6.5
368.10770	0.4
399.18478	1.1
451.10300	100.0
452.04788	0.5
452.10712	7.1
529.13434	17.6
530.13531	1.3
550.59930	0.3
879.56049	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	975.2558
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01369	0.6
71.62568	0.6
84.26276	0.4
85.02940	0.4
87.00858	0.5
89.02454	0.4
93.03448	1.8
95.01404	0.8
96.96017	1.9
99.64658	0.4
108.02137	0.5
109.02949	2.3
109.03580	0.4
115.46777	0.3
117.03426	0.5
121.02935	1.4
123.00883	0.5
123.04541	0.7
124.01640	0.4
125.02435	1.8
133.02908	0.6
134.03751	0.6
135.04485	1.4
137.02432	2.0
149.02432	1.2
150.03198	0.5
151.00325	2.4
151.03976	0.4
158.03668	0.6
159.04459	0.8
161.02406	1.7
163.00400	0.6
173.04512	1.2
174.03252	0.5
175.00179	0.5
177.01894	0.6
178.02666	0.4
179.03456	0.8
181.05006	0.4
187.03952	0.7
190.02699	0.6
191.05588	5.1
197.69653	0.4
201.05524	0.5
205.01402	0.5
205.05069	0.9
214.02766	0.4
215.03513	1.0
227.03429	1.1
229.04921	0.5
230.02238	1.0
241.04956	0.5
243.02977	1.5
245.04692	0.5
255.02876	0.8
256.03598	0.5
257.04694	0.7
258.01651	37.4
259.02399	13.1
260.02676	0.5
271.02454	17.6
272.03207	10.7
272.06018	0.8
273.04007	10.3
283.02441	1.6
285.04037	6.4
286.04453	0.5
289.07129	0.6
298.01224	0.9
299.01913	0.7
301.03494	90.2
302.03769	5.0
304.02185	2.7
311.01794	0.9
313.03503	6.9
329.02823	0.6
331.04544	46.6
332.04770	2.7
343.04660	1.0
367.04764	0.5
385.05566	1.5
399.18338	0.9
400.18802	0.5
403.06552	3.0
449.14374	1.9
525.10303	100.0
526.10638	8.1
848.63336	0.4
931.46472	0.5
975.41382	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	965.6045
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03436	1.7
69.48585	3.0
69.49004	1.7
71.00993	1.1
71.01382	21.7
72.99298	2.3
73.02937	3.7
75.00851	0.7
81.03429	0.6
83.01404	1.7
85.02944	5.2
87.00874	3.4
89.01917	1.1
89.02442	18.5
93.03471	0.8
95.01369	1.3
96.95987	1.7
97.02947	3.4
97.06563	0.9
99.00883	1.4
101.02438	15.9
111.04512	0.8
113.02441	7.8
113.09702	1.0
117.25101	0.6
119.03490	4.4
123.08150	0.9
125.02441	6.0
125.09726	3.6
131.03529	0.7
133.05063	1.5
143.03470	2.9
149.04584	0.8
149.09692	1.3
156.11819	0.6
161.04581	3.9
171.10167	0.6
179.05580	3.9
183.01202	1.1
185.11815	9.7
197.11774	2.3
221.06572	1.7
235.08228	9.4
245.06541	0.8
249.21863	0.8
253.09357	1.2
255.23277	47.1
256.23676	1.9
263.07666	0.9
287.07712	2.5
293.21201	79.6
294.21548	3.6
305.08701	4.1
311.16849	8.3
311.22168	3.7
397.13452	100.0
398.13901	4.5
415.14557	29.3
416.14871	1.1
526.93671	0.7
653.37482	13.7
654.37653	1.1
928.29816	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	965.2713
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01893	1.9
68.64114	0.2
69.03448	0.6
69.32060	1.9
71.01382	2.2
81.03451	0.7
83.01344	0.3
83.05032	0.6
85.02945	5.7
87.00870	1.6
93.03452	13.3
96.96020	1.1
98.20587	0.4
99.00912	0.3
99.04530	0.3
107.05013	0.8
109.02947	1.0
111.00906	0.3
111.04515	4.1
113.02438	0.4
117.03424	0.2
125.02460	0.6
127.03999	1.9
133.02953	2.1
134.03737	3.5
135.04517	55.9
136.04865	1.5
137.02440	3.3
153.01906	0.7
155.03499	3.8
161.02429	6.4
171.02985	0.5
173.04532	53.7
174.04897	1.2
175.03955	0.3
179.03482	62.7
180.03806	1.6
187.03984	0.3
187.07607	1.6
191.05594	87.6
192.05937	2.0
200.91328	0.2
202.06326	0.3
203.03471	2.4
213.09123	0.7
215.07027	0.3
227.06966	0.2
231.06688	0.4
231.10220	0.8
247.69540	0.2
255.06564	0.4
257.08151	1.3
272.03918	0.2
275.09351	1.0
299.05566	1.1
317.06577	1.4
335.07669	1.6
335.10928	0.2
353.08734	100.0
354.09085	4.6
381.17545	0.3
381.36130	0.2
431.13370	1.2
449.14355	0.8
480.40067	0.2
515.11884	43.0
516.12268	3.6
524.06836	0.2
762.21704	0.2
803.23718	0.3
965.26642	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	965.2705
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01881	1.6
69.96690	1.0
71.01376	1.9
81.03469	0.6
83.02637	0.2
83.05006	1.1
85.02944	3.7
87.00861	1.5
91.05512	0.3
93.03453	13.5
96.96008	0.3
98.19955	0.4
103.74652	0.2
107.05014	1.0
109.02971	1.4
111.00849	0.6
111.04511	5.1
113.02446	0.5
117.03450	0.4
127.03989	1.5
128.42743	0.2
132.02194	0.2
133.02942	5.2
134.03732	3.1
135.04517	55.1
136.04846	1.4
137.02438	5.3
155.03485	7.6
156.03706	0.2
159.04503	0.8
161.02435	19.0
162.02757	0.6
171.02937	0.3
172.05305	0.3
173.04533	59.3
174.04865	1.5
175.04010	0.2
175.07544	0.3
179.03481	51.0
180.03818	1.5
184.05258	0.2
187.04028	0.4
187.07620	3.3
191.05594	49.1
192.05989	1.0
201.05550	0.4
202.06311	0.8
203.03450	0.9
210.52199	0.2
211.07603	0.6
213.09186	0.9
215.07101	1.2
229.08655	0.6
231.10211	1.3
255.06654	0.4
257.08105	1.0
275.09238	2.1
317.06509	0.6
335.07675	5.5
336.08081	0.4
353.08743	33.4
354.09125	1.9
393.81247	0.3
449.14462	4.9
515.11896	100.0
516.12195	7.8
517.12305	0.6
793.62659	0.3
965.27972	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	958.5212
Annotation	Unknow
Peak:m/z	Relative Intensity
68.39787	22.2
71.61974	39.3
78.46433	24.1
89.02412	29.1
96.63181	21.0
96.95995	29.0
116.53449	26.8
119.03491	24.0
185.57265	23.5
201.79117	24.3
209.11816	100.0
210.12181	40.8
255.23302	76.9
256.23770	46.7
295.74417	29.9
304.97043	22.0
397.13275	27.9
409.44049	27.6
470.74289	28.6
651.14478	29.6
674.85907	27.3
675.25427	27.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	965.2715
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01875	0.5
70.92995	0.4
70.93353	0.2
71.01369	0.4
81.03442	0.2
83.05059	0.3
85.02946	5.6
87.00869	1.3
91.05540	0.3
93.03458	4.6
96.95995	0.2
97.51369	0.1
99.04519	0.2
107.05018	0.9
109.02950	0.7
111.04516	2.1
117.03490	0.2
127.03994	1.9
133.02962	1.8
134.03751	2.6
135.04521	43.5
136.04825	0.8
137.02486	0.8
137.03381	0.2
143.03552	0.2
155.03474	1.5
160.20221	0.2
161.02437	5.3
162.02821	0.2
165.19916	0.2
171.02971	0.4
172.05252	0.2
173.04536	7.2
174.04874	0.3
177.02058	0.2
179.03485	43.7
180.03810	1.4
187.07611	1.6
191.05600	100.0
192.05971	2.1
199.03833	0.2
213.09059	0.3
215.07030	0.3
227.03554	0.3
231.10202	0.2
257.08176	1.2
275.09158	0.2
306.75705	0.2
335.07584	0.9
353.08743	86.7
354.09073	3.5
354.24036	0.2
378.61581	0.2
381.17419	0.2
387.67642	0.1
441.84888	0.2
449.14453	1.1
511.36084	0.2
515.11938	13.9
516.12439	1.0
557.83960	0.2
774.82196	0.2
858.64661	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	955.232
Annotation	Unknow
Peak:m/z	Relative Intensity
67.18404	0.1
71.01374	0.3
71.61013	0.1
79.95733	31.1
80.95698	0.1
80.96507	0.4
85.02934	0.2
93.03449	0.3
95.95229	9.1
96.96005	61.3
98.19822	0.2
108.02162	0.4
109.02968	0.3
110.97575	4.2
121.02951	0.2
122.97612	0.1
123.04527	0.3
125.02390	0.1
133.02951	0.2
134.48904	0.2
135.04520	0.6
136.81996	0.1
137.02434	1.7
141.95775	1.2
147.04533	0.2
149.99886	1.1
159.04460	0.2
159.66559	0.1
160.05263	0.4
161.02412	0.3
161.06123	0.2
163.04002	0.4
164.04782	0.2
164.98593	0.3
173.04576	0.8
175.07617	0.4
177.05603	0.5
178.06396	0.2
179.03468	0.4
181.98860	0.2
191.05595	1.3
212.80255	0.1
229.25308	0.1
242.27921	0.1
257.01242	0.1
259.02750	1.4
269.08151	0.6
273.04294	0.4
299.09116	0.6
301.03836	0.4
311.09247	0.6
313.10712	0.2
314.11606	0.8
315.05368	0.6
326.11560	0.3
329.13882	2.6
330.14175	0.2
341.13846	0.8
353.08698	0.4
386.35699	0.1
415.17902	0.4
416.18436	0.2
424.08258	3.2
425.08505	0.2
426.14621	0.1
439.10629	100.0
440.10931	6.3
451.10187	0.3
515.11536	0.3
697.41589	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	955.5473
Annotation	Unknow
Peak:m/z	Relative Intensity
66.48920	0.7
69.03446	1.4
71.01374	13.5
72.99298	1.1
73.02943	2.5
75.00864	0.9
80.02693	1.2
81.03448	1.0
83.01378	2.0
83.05002	4.5
84.02190	0.9
85.02956	3.9
87.00907	3.4
89.01917	1.1
89.02440	13.5
95.01402	0.9
95.04983	0.7
97.02933	3.6
99.00853	1.2
101.02425	12.5
110.23340	0.8
113.02433	6.1
119.03484	3.0
119.05038	1.3
125.02435	4.5
133.05110	0.8
140.53340	0.8
143.03500	2.4
145.02979	1.3
161.04523	2.5
163.11267	4.3
165.12852	1.4
179.05594	3.3
190.23766	0.6
191.05490	1.0
201.72707	0.7
209.11801	100.0
210.12135	4.1
217.07083	1.1
221.06601	1.6
227.12843	11.6
235.08150	3.8
255.23264	52.5
256.23639	2.8
269.06821	0.8
287.07654	1.4
301.14532	1.2
305.08844	2.0
323.09830	2.0
379.12405	14.8
379.16708	0.6
397.13449	39.2
398.13913	1.5
407.88229	0.8
407.93985	0.7
415.14349	4.0
589.24817	4.5
607.26031	3.3
635.36871	3.9
653.37445	6.9
845.50159	1.0
919.52777	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	949.6097
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03439	0.6
69.74216	1.5
69.74627	1.0
69.99998	0.5
71.00996	0.7
71.01378	12.6
71.74979	0.5
72.99292	1.2
73.02930	2.5
75.00900	0.7
81.03444	0.6
83.01369	1.4
85.02952	2.6
87.00877	3.5
89.02431	12.2
95.01364	1.5
96.96012	8.4
97.02936	2.5
99.00863	1.1
101.02436	10.6
109.02961	0.6
111.00932	0.5
113.02438	4.6
113.09698	1.5
119.03495	3.5
125.02426	4.7
131.03401	0.7
139.03917	0.5
143.03545	2.1
143.04457	0.5
150.23425	0.5
161.04591	2.3
163.04076	0.5
171.10243	0.5
179.05643	2.4
179.14381	0.7
191.05676	0.5
195.13890	13.4
196.14009	0.5
221.06683	0.8
221.73489	0.6
235.08185	6.2
245.06764	0.5
253.09163	0.6
255.23268	34.1
256.23557	1.5
263.07639	0.5
277.21695	13.6
277.24747	0.7
278.22018	0.9
287.07703	2.3
295.22751	100.0
296.23062	4.8
305.08734	2.7
323.09766	0.8
379.12100	0.5
397.13474	62.3
398.13925	2.5
415.14557	17.4
416.14673	0.9
653.37628	6.5
654.38123	0.8
949.55450	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	947.5936
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99524	0.3
69.03455	1.2
71.01382	22.6
71.18723	0.5
72.99303	1.7
73.02937	3.7
75.00847	0.4
81.03445	1.1
83.01384	2.7
83.05043	0.4
85.02951	5.2
87.00874	5.0
89.02442	18.9
91.04048	0.2
93.03439	0.4
95.01366	1.7
96.96050	0.2
97.02950	3.7
97.06586	0.3
99.00870	1.2
99.04529	0.3
101.02437	16.7
103.04029	0.3
109.06576	0.4
111.00887	0.3
111.04504	0.7
113.02443	8.6
113.09724	7.5
115.04020	0.4
119.03492	4.9
123.00861	0.2
125.02441	7.8
127.03954	0.2
131.03493	0.9
133.05063	0.7
139.03983	0.8
139.11267	0.8
141.09286	0.3
143.03473	2.4
149.04547	0.5
149.09764	0.3
150.61887	0.2
161.04552	3.9
167.03474	0.5
167.10840	1.1
169.04994	0.3
171.10228	0.7
179.05592	3.8
179.10751	1.0
195.13818	1.1
199.06148	0.4
204.34624	0.2
217.07104	0.3
221.06601	1.3
221.15404	0.7
231.21107	0.3
235.08205	9.1
245.06627	0.3
249.22226	0.8
253.09239	1.8
255.23273	55.2
256.23648	2.7
257.23828	0.3
263.07666	0.7
269.24774	0.4
275.20145	0.8
277.09314	0.6
287.07742	3.5
292.19913	0.3
293.21210	47.5
294.21585	2.4
305.08762	4.7
323.09836	1.1
361.11267	0.3
379.12366	0.5
397.13464	100.0
398.13834	4.8
399.14078	0.8
415.14536	28.7
416.14853	1.7
417.14984	0.3
423.04922	0.3
653.37451	10.8
654.37830	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	941.2708
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01888	6.3
69.03442	1.6
71.01374	3.1
81.03455	1.6
82.96874	0.4
83.05026	1.0
85.02942	3.2
87.00866	7.5
91.01885	21.8
92.02181	0.5
93.03452	48.2
94.03786	1.1
95.01331	0.6
95.04993	0.6
96.26176	0.4
96.95998	2.8
98.19859	1.5
98.32031	0.5
99.00864	0.8
99.04459	0.7
101.02454	0.4
108.02171	0.8
109.02943	11.7
111.04524	6.9
113.02453	1.3
113.03489	0.5
119.05075	0.5
121.02943	1.1
123.04514	0.8
124.01630	0.6
125.02425	0.8
127.04002	0.8
129.01952	1.2
132.02141	1.1
133.02948	3.9
134.03731	7.0
135.00873	64.9
135.04504	9.5
136.01297	1.4
137.02443	4.2
149.02426	1.1
150.03221	0.8
151.04019	2.2
153.01927	49.2
154.02277	0.8
155.03453	2.3
160.01680	3.1
160.02834	0.5
161.02419	2.7
162.03183	3.3
163.03958	0.7
167.03494	0.6
167.25291	0.5
173.04529	34.3
174.04874	1.0
175.04008	0.5
177.01874	1.6
178.02568	0.9
179.03453	2.9
189.01855	0.6
191.05597	30.8
192.05991	0.8
209.11826	0.5
231.10156	2.8
243.06685	1.2
257.08160	1.9
275.09222	10.6
279.05020	0.8
297.06161	1.2
301.03412	0.8
308.08847	0.9
339.07156	100.0
340.07458	4.2
351.07138	1.3
352.07935	1.3
399.18674	2.2
412.22302	0.5
447.12973	0.9
449.14478	71.6
450.14703	4.7
491.27533	0.5
941.34454	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	933.4835
Annotation	Unknow
Peak:m/z	Relative Intensity
64.92185	1.8
65.22164	2.0
71.01379	67.4
72.01231	2.1
72.99296	2.5
73.02936	4.0
74.93371	1.7
83.01398	2.6
85.02941	6.5
86.28175	2.0
87.00869	6.5
89.02432	22.5
95.01376	3.2
96.95992	5.4
97.02941	5.9
99.00864	4.9
101.02441	22.0
109.06577	5.1
111.04516	5.5
113.02454	16.1
118.04263	2.2
119.03493	4.8
125.02463	10.9
125.09702	5.7
127.11263	4.1
142.63670	2.0
143.03516	3.0
153.09068	1.9
161.04567	6.2
163.11253	6.7
171.10242	41.9
172.10602	2.2
176.94379	2.0
179.05621	7.5
181.08739	2.4
181.12297	3.1
199.09740	18.3
199.13434	6.1
201.11317	38.4
207.10214	19.7
212.18002	2.1
213.42676	2.3
221.06535	2.8
223.09741	4.4
225.11308	27.6
235.08142	7.3
243.12302	5.4
255.23273	100.0
256.23584	5.0
257.59894	2.4
379.12607	12.4
397.13483	66.3
398.13580	5.2
415.14371	14.9
551.23444	3.4
579.23169	2.7
605.24353	5.5
623.25562	4.6
635.36310	3.0
653.37415	9.2
835.46741	25.4
836.47192	4.3
843.45087	11.3
857.44806	3.0
861.48358	36.7
862.49274	4.2
877.48126	3.9
879.49921	11.5
897.50598	43.4
898.51038	3.5
933.46631	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	933.3024
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01868	1.8
69.03439	0.8
69.12413	0.4
69.46961	0.4
71.01361	1.6
71.61805	0.6
79.95724	1.5
83.05025	0.9
85.02945	3.9
85.05304	0.5
87.00861	1.5
93.03452	14.1
95.95244	0.6
96.96013	2.3
104.20947	0.4
107.05027	1.0
109.02905	1.0
111.00845	1.4
111.04510	5.6
113.02445	0.6
124.78036	0.4
127.04022	1.3
128.90739	0.5
133.02930	4.4
134.03745	3.4
135.04520	53.7
136.04831	1.3
137.02428	4.5
151.03999	0.8
155.03471	7.1
161.02440	16.6
162.02740	0.6
173.04536	51.5
174.04861	1.5
179.03487	54.6
180.03841	1.8
191.05594	51.7
192.05930	2.1
203.03519	1.3
220.59006	0.6
228.49525	0.4
238.94073	0.5
246.17673	0.4
321.99020	0.4
335.07666	4.8
341.14240	1.1
353.08740	43.7
354.08975	2.9
399.18585	0.7
407.54581	0.5
415.17957	9.2
416.18265	7.5
417.19357	22.0
418.19717	1.5
515.11908	100.0
516.12225	11.1
549.30255	0.6
700.13721	0.5
743.12671	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	933.2822
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01876	0.5
69.03460	0.2
69.44137	0.8
69.44562	0.7
71.01364	0.7
72.99381	0.2
73.02932	0.3
81.03451	0.5
83.04994	0.3
85.02946	8.2
87.00867	1.7
93.03458	4.8
95.05025	0.3
96.96000	0.6
97.68758	0.2
99.04517	0.3
108.02150	0.3
109.02202	0.4
109.02946	7.0
111.04493	1.8
117.03448	0.2
119.05032	0.2
122.74477	0.2
123.04526	3.7
125.02437	0.3
127.03993	2.4
132.52806	0.2
133.02925	1.0
135.04480	0.4
137.02420	0.5
145.02939	0.5
147.04521	1.0
149.02448	0.2
150.03189	0.3
151.03987	1.8
155.03438	0.5
159.04449	0.6
161.02420	2.3
163.03989	0.3
171.02951	0.7
172.05185	0.3
173.04529	2.9
174.03233	0.4
175.03917	0.3
176.01099	0.3
177.01923	7.7
178.02180	0.3
187.04022	2.6
187.07640	2.5
188.04671	0.2
189.01918	16.4
190.02682	3.7
191.05591	100.0
192.05925	3.4
192.07634	0.2
193.06136	0.3
201.01869	0.2
201.05415	0.2
201.09218	0.3
202.06313	2.5
203.03473	1.8
203.07059	0.9
205.05237	0.3
213.09204	0.8
215.07071	1.0
216.00609	2.6
217.01401	14.5
218.02016	1.1
219.02966	5.8
231.02968	5.1
231.10223	1.0
232.03517	0.5
233.04510	0.3
239.79680	0.2
245.11798	0.7
247.09766	0.8
257.08105	0.4
263.13004	0.5
275.09360	0.7
281.04492	0.4
289.07196	0.7
289.10822	2.1
297.07883	0.4
299.05579	0.3
307.11661	1.2
323.05591	0.9
341.06616	37.4
342.06940	2.3
400.01642	0.2
449.14481	7.0
450.14883	0.7
451.10303	51.2
452.10663	3.6
463.16098	0.6
481.17102	13.0
482.17422	1.3
916.18683	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	931.5033
Annotation	Unknow
Peak:m/z	Relative Intensity
68.86203	1.9
69.44721	12.0
69.45130	3.5
71.01360	10.3
72.69502	1.9
83.04996	2.5
83.43806	1.9
87.00861	3.8
89.02449	12.6
94.21632	2.9
96.43239	2.1
97.02934	3.0
100.81478	1.9
101.02432	12.7
113.02428	6.8
119.03484	3.9
125.02389	6.5
143.03461	2.9
161.04515	3.4
179.05565	3.1
191.05620	2.0
198.17424	2.1
209.11819	100.0
210.12131	5.5
227.12894	21.7
231.14780	2.1
235.08104	3.5
255.23264	48.0
323.09546	3.7
340.05356	2.4
379.12451	25.0
397.13464	58.0
415.14459	5.9
588.67181	2.1
589.24988	15.0
607.26312	9.9
635.36353	12.5
653.37567	17.1
654.37640	3.1
845.49274	13.0
863.50763	5.0
931.50238	74.0
932.51184	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	931.2292
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03957	0.1
67.01871	0.2
69.03450	0.1
69.24176	0.7
71.01369	0.4
73.02950	0.2
79.35455	0.1
81.03445	0.2
83.01384	0.2
83.05007	0.2
85.02947	6.1
87.00874	1.3
93.03455	2.3
95.05029	0.1
97.02969	0.2
98.20569	0.2
99.04520	0.3
100.89524	0.1
101.02453	0.1
103.21015	0.1
105.03463	0.1
107.04968	0.1
109.02947	1.3
111.04514	1.1
113.02448	0.1
121.02925	0.2
122.03873	0.1
123.04513	0.6
125.02438	4.1
126.02734	0.1
127.04002	1.7
133.02960	1.3
134.03323	0.2
135.04509	0.6
137.02434	1.0
139.03929	0.1
149.02394	0.2
151.03973	0.5
152.04376	0.1
155.03497	0.1
159.04401	0.1
161.02428	3.9
161.06062	0.2
162.02792	0.2
163.04036	0.1
164.01056	0.2
165.01849	0.1
171.02956	0.5
173.04546	1.2
174.04916	0.1
175.03938	0.5
177.01981	0.5
177.03221	0.1
179.03476	0.8
187.03976	0.3
188.04745	0.2
189.05566	0.1
191.05592	100.0
192.05927	2.4
201.05573	0.1
202.06241	0.1
203.03369	0.1
203.07121	0.5
205.01395	0.1
205.05048	0.2
211.04030	0.1
213.05769	0.1
215.05396	0.1
229.04919	0.1
243.02888	0.1
245.04614	0.2
245.08090	0.7
247.06000	0.1
255.00613	0.1
255.02916	0.5
256.03635	0.2
273.03986	0.2
279.64960	0.1
281.04416	0.2
285.03955	0.2
287.05557	0.5
289.07159	2.5
290.07446	0.2
299.05597	0.3
339.08685	0.3
341.06473	0.1
351.07230	0.1
353.08734	23.8
354.09055	1.1
407.07675	2.8
408.08191	0.4
425.08725	3.7
426.09100	0.4
427.09073	0.1
451.10312	0.8
557.26196	0.1
577.13483	3.0
578.13800	0.4
854.61865	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	931.2293
Annotation	Unknow
Peak:m/z	Relative Intensity
68.18931	0.8
69.03442	0.9
69.59630	3.1
69.60049	2.7
78.22272	0.9
81.03447	2.1
83.01395	5.2
85.02943	6.5
87.00903	2.0
88.03929	0.9
91.74242	0.8
93.03452	5.8
93.40297	0.7
95.01393	1.0
95.05018	2.3
97.02929	4.4
107.05017	1.4
108.02107	1.3
109.02957	22.2
109.04569	0.9
111.04462	1.1
117.03400	1.2
121.02950	3.4
123.04518	15.3
125.02441	100.0
126.02760	2.4
127.04017	1.3
133.02971	7.4
134.03300	1.5
135.04527	5.6
137.01425	1.7
137.02435	24.8
139.04024	4.6
145.02928	1.4
146.03763	1.0
149.02411	6.8
150.03183	1.5
151.03998	15.0
157.06531	1.0
159.04492	4.2
161.01089	1.6
161.02440	34.0
161.06078	5.9
162.03043	3.4
163.00336	2.6
163.04002	4.2
164.01180	4.8
165.01920	7.4
167.03581	1.1
173.04521	2.5
173.05934	1.2
174.03285	1.2
175.04016	11.7
175.07610	1.1
177.01927	7.2
177.05603	1.5
178.48047	0.9
179.03505	6.7
185.06039	1.3
187.04007	8.6
188.04739	2.9
189.05455	1.6
191.05605	67.1
192.05965	3.0
199.03905	1.4
200.04613	0.8
201.05585	3.5
202.06277	2.5
203.03494	1.8
203.07129	9.3
205.01393	2.9
205.05038	7.5
213.05510	2.6
215.03447	2.4
215.07182	1.1
217.05046	2.4
219.02969	0.8
221.08182	1.6
221.21013	1.0
225.05644	0.9
227.03476	2.9
227.07124	2.0
228.04129	1.8
229.04991	3.8
231.02930	1.4
241.05058	1.1
243.02856	3.5
245.04585	6.1
245.08150	18.1
247.06093	1.9
253.04973	1.8
255.03018	9.8
255.05957	1.2
256.03812	6.5
257.04416	1.9
269.04501	3.2
271.06122	1.8
273.04007	5.1
281.04596	4.1
283.02386	2.3
284.03342	1.6
285.03961	3.9
287.05573	14.1
289.07166	58.7
290.07443	3.9
297.03943	1.3
299.05496	8.0
339.08685	6.5
351.07190	1.8
353.08829	9.7
354.09082	0.9
381.09711	2.8
407.07697	66.3
408.07852	4.4
425.08749	76.1
426.09055	7.7
439.10526	2.0
451.10376	17.8
452.10773	1.8
552.84839	0.9
559.12390	2.9
577.13495	75.2
578.13782	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	929.2138
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01889	1.2
83.01363	2.6
83.05029	1.1
85.02950	15.0
87.00872	3.3
93.03465	10.7
95.01340	1.1
97.02946	1.7
107.86611	0.9
109.02939	11.0
109.37044	0.8
111.04509	2.8
117.03415	1.0
121.02978	1.7
123.04525	6.5
124.60452	0.9
125.02449	6.8
127.03977	3.1
131.04985	1.1
133.03000	4.4
133.23697	1.0
134.82904	0.8
135.04510	2.7
137.02452	10.3
139.03999	1.7
145.02968	3.6
147.04498	5.2
149.02451	2.6
150.03284	1.1
151.04012	5.0
155.05022	14.1
157.02940	1.5
158.03699	1.9
159.04514	3.0
161.02434	11.9
161.06020	1.9
163.00327	2.1
163.03993	5.4
164.01114	2.2
165.01912	2.2
171.04507	3.7
172.05313	1.9
173.02432	17.9
173.04532	5.5
173.06078	6.5
174.03119	2.8
175.03990	24.5
176.01088	1.4
176.04314	1.0
177.01910	4.4
179.03416	2.6
183.04428	0.9
185.02432	1.5
185.06009	1.2
187.03951	4.5
188.04779	1.7
189.01915	5.0
189.05559	1.3
191.05592	100.0
192.05916	2.0
195.04433	1.0
197.06120	1.9
198.03247	5.3
199.03986	59.0
200.04375	2.4
201.01939	14.5
201.05595	1.5
203.03482	5.2
203.07082	2.4
205.01416	1.4
205.04990	2.7
211.03976	2.1
213.05518	1.3
215.03453	2.5
215.07065	2.5
217.04970	5.4
219.02936	4.2
225.05595	1.9
226.02594	1.0
227.03481	4.8
227.07117	1.2
228.04176	1.3
229.05013	3.6
231.02980	2.4
237.05505	1.3
240.04086	1.3
241.05043	42.7
242.05374	2.1
243.02954	30.5
244.03287	1.2
245.04485	3.3
245.08154	3.6
251.03535	1.0
253.05061	3.1
254.05475	1.1
255.03128	1.0
257.04517	1.6
259.05942	4.5
265.05048	1.1
267.03000	2.2
269.04459	1.8
271.02405	2.2
271.05960	1.0
281.04428	4.3
283.02457	0.9
285.03958	8.4
287.05688	1.2
289.04361	1.1
289.07199	10.8
293.04529	2.8
296.03043	1.0
297.04202	1.1
299.05389	2.1
303.04922	1.8
329.06876	1.0
341.06580	6.6
343.05704	1.3
361.07025	1.8
363.08502	1.1
367.10181	2.0
373.07083	1.1
383.07654	3.4
385.07083	1.4
389.06573	1.4
393.08246	3.2
403.08099	6.2
405.06198	0.9
407.07559	2.5
409.05612	1.4
429.06357	1.0
433.05197	1.0
447.07236	8.7
451.10309	2.5
465.08356	1.2
477.10309	50.6
478.10660	3.6
493.11349	3.4
499.10620	1.4
541.11469	3.3
567.09296	2.5
585.10333	5.0
587.36053	1.0
597.12445	3.0
639.13446	18.9
640.13983	2.4
693.15948	2.5
719.13599	1.0
737.14905	7.1
738.14911	1.4
759.15411	4.6
777.17151	1.8
929.20966	9.9
930.21533	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	929.213
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01897	1.9
70.91911	1.8
71.01392	1.8
81.03436	1.2
83.01376	7.3
83.04998	1.3
85.02944	16.9
87.00855	3.8
93.03450	15.2
94.26242	0.8
94.93066	0.7
95.01385	1.7
95.05021	2.8
96.96010	2.9
97.02942	2.7
105.03464	2.4
107.05025	1.0
108.02143	1.3
109.02944	11.5
111.04518	1.9
119.04985	1.2
121.02951	5.0
122.03773	1.6
123.04517	11.6
125.01510	1.2
125.02434	23.2
125.03312	1.7
127.04011	3.5
131.04951	1.4
133.02026	1.5
133.02950	16.6
134.03716	0.8
135.04503	5.8
137.02444	7.1
139.03999	1.4
145.02960	5.1
146.03693	1.2
147.04523	4.4
149.02443	4.5
150.03230	1.0
151.03976	6.3
155.04997	7.5
157.02913	2.0
158.03697	1.1
159.04518	4.8
161.02454	12.0
161.06088	2.3
162.03191	2.1
163.00352	4.1
163.04036	5.4
164.01161	2.2
165.01917	3.4
171.03072	1.2
171.04512	1.8
173.00926	1.9
173.02419	34.2
173.04588	6.1
173.06064	2.2
174.03186	17.3
175.03972	21.6
176.01117	2.2
177.01904	15.0
177.05457	0.9
178.02673	0.8
179.03468	2.3
182.03754	0.8
183.04485	1.9
185.02470	1.2
187.04012	5.6
188.04662	1.0
189.01965	2.9
189.05557	5.2
190.02663	1.2
191.05594	100.0
192.05949	1.5
192.41808	0.9
195.04556	1.6
197.06064	2.0
198.03198	2.8
199.02113	2.0
199.03986	37.3
200.04480	2.2
201.01910	12.4
201.05493	2.8
202.02544	0.9
203.03459	3.4
203.07095	1.3
205.01439	2.2
205.05090	4.9
205.06757	1.0
209.06078	2.4
211.03995	5.6
212.04745	2.4
213.01923	1.4
213.05550	6.3
215.03447	3.8
215.05380	1.6
217.01573	1.1
217.05013	2.5
219.02995	2.5
223.03920	1.1
224.04764	0.8
225.05495	4.3
226.06026	0.9
227.03529	4.1
227.06995	1.4
228.04179	1.4
229.05042	5.5
231.02956	3.1
231.06703	1.2
237.05566	1.5
239.03413	2.9
240.04163	1.6
241.05026	11.3
242.02118	1.3
243.02928	10.7
245.04543	4.4
245.08168	2.0
247.05937	1.3
249.05690	1.2
251.03456	1.4
253.05016	11.3
254.05907	1.1
255.02942	3.3
255.06552	6.9
256.03708	2.8
257.04486	3.1
259.06128	1.3
265.04999	2.1
267.06714	1.7
269.04514	3.2
271.06058	1.2
273.04004	1.3
277.05246	1.0
281.04434	2.8
282.05368	1.3
283.02487	1.9
285.03983	5.6
285.07333	1.4
287.05402	2.0
289.07162	8.1
293.04590	1.9
295.02460	1.0
295.05698	1.0
297.04071	2.8
299.05652	1.4
309.04059	1.5
319.05981	1.3
329.06433	5.1
331.05307	1.0
335.05490	2.1
341.06403	1.0
343.05890	1.2
345.07355	1.1
351.07187	6.5
353.08636	2.4
361.03366	1.8
361.07199	1.9
363.08755	8.8
371.05328	1.4
373.06796	1.6
381.09726	1.2
383.07645	1.7
383.18958	2.1
387.08643	1.1
389.06503	2.2
391.08517	1.0
393.27374	1.1
403.08231	1.2
405.09854	15.1
406.10013	1.2
407.07651	26.7
408.08063	2.2
409.09113	0.9
423.11194	1.8
425.08636	5.3
447.07263	2.7
449.08762	6.5
450.09161	1.0
451.10260	2.8
477.10349	5.7
489.10138	5.0
523.10217	2.1
541.11169	4.3
567.09650	3.1
577.13409	5.3
585.10114	5.1
611.11841	4.7
612.12970	1.1
639.13409	4.0
641.15057	32.3
642.15588	3.1
651.14197	1.0
683.15808	2.0
693.16113	2.8
711.16724	1.3
719.14026	1.0
737.15039	14.2
738.15240	1.8
755.15753	1.2
759.15808	9.8
760.16089	1.8
777.16571	3.1
803.17957	5.8
911.20795	1.2
929.21454	16.6
930.21619	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	923.5206
Annotation	Unknow
Peak:m/z	Relative Intensity
66.90777	0.9
69.03443	1.0
71.01376	15.4
71.45898	1.5
73.02939	2.6
81.03458	1.7
83.01373	2.3
83.05019	3.4
84.02148	0.8
85.02956	3.3
87.00879	4.2
89.02439	12.3
95.01394	1.1
97.02927	2.9
99.00869	1.2
100.43241	1.0
101.02431	10.6
109.48864	0.8
113.02454	6.6
119.03477	2.7
125.02416	5.9
135.08070	0.8
143.03474	2.0
152.47832	0.8
161.04510	2.6
163.03877	0.8
163.11255	2.3
165.12856	1.5
173.48920	0.8
179.05577	2.8
191.10768	1.0
207.10257	2.0
209.11800	100.0
210.12183	3.9
216.12538	0.9
217.07042	1.0
225.11305	2.5
226.11491	1.3
227.12874	10.9
235.08267	5.8
253.09288	0.9
255.23257	53.8
256.23477	4.2
287.07596	2.3
305.08508	1.6
323.09790	1.9
342.28796	0.8
379.12421	14.1
397.13449	38.7
398.13760	1.9
415.14474	6.6
427.24646	1.0
582.39484	0.9
589.25330	4.6
599.95319	1.0
606.24774	1.0
607.25616	2.8
635.36279	3.2
653.37634	4.5
654.38739	1.0
696.34882	0.9
817.80530	1.0
863.48895	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	927.3138
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01886	1.8
68.99793	3.1
69.03440	2.8
70.76085	2.0
71.01377	51.4
72.99302	9.9
73.02930	3.3
75.00870	27.8
81.03430	1.2
82.78725	0.8
83.01372	2.4
83.05022	1.0
85.02945	49.5
85.20729	0.8
87.00381	1.4
87.00877	17.1
89.01920	1.1
89.02437	13.5
91.01891	5.9
91.04008	2.0
93.03459	13.0
95.01384	9.4
95.05035	1.0
96.96030	4.5
97.02920	1.7
99.00243	1.5
99.00873	26.3
99.04485	1.9
101.02429	2.6
105.07063	1.1
107.05038	2.3
108.02179	1.5
109.02932	1.5
111.00852	2.5
112.01638	1.5
113.02445	56.3
113.06063	1.0
115.00353	2.7
117.01920	3.6
119.01359	1.7
119.36381	0.8
120.05809	1.0
120.08805	0.8
121.02965	5.3
121.06570	1.0
125.02428	4.2
129.01935	3.2
131.03447	1.4
135.04507	1.5
137.02434	14.2
139.00331	1.2
149.04524	2.0
151.02859	1.6
151.04001	24.0
153.01900	1.2
157.01379	2.6
157.06544	1.3
159.11769	1.6
161.02455	1.0
161.09735	1.3
161.13348	37.9
162.13599	1.4
175.02403	3.9
187.09769	1.5
187.11285	19.5
191.05556	4.0
205.07140	10.3
205.12315	34.0
206.12704	1.1
207.05070	2.9
209.11778	4.1
213.09203	1.6
231.05118	1.3
231.10197	2.8
233.06728	1.2
249.06113	19.5
267.07181	70.4
268.07397	1.8
393.19083	2.0
437.18106	5.3
445.19601	0.9
455.19211	1.3
463.16095	2.3
481.17126	14.7
482.17407	1.1
499.18085	1.6
598.50342	0.9
652.13708	1.0
652.25226	0.9
655.22382	1.4
757.25092	1.0
775.26605	12.3
776.28070	1.0
927.31311	100.0
928.31335	15.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	923.2973
Annotation	Unknow
Peak:m/z	Relative Intensity
66.28819	0.3
69.67661	1.5
71.01366	0.9
73.02928	0.8
83.01379	0.5
85.02966	0.3
87.04507	5.7
93.03459	0.7
95.05012	0.6
96.96011	0.9
101.02449	0.3
105.03466	0.3
105.65957	0.2
108.02178	0.7
109.02946	15.3
110.03291	0.3
117.03479	0.6
119.04994	0.7
121.02986	0.6
122.03773	0.3
123.04521	8.6
124.04847	0.4
125.09711	0.5
132.30402	0.2
133.02943	2.5
135.00922	0.4
135.04538	0.6
137.02411	0.3
145.02898	1.4
147.04507	2.4
148.04924	0.2
149.02403	0.5
150.03197	0.8
151.03987	3.9
153.09229	0.6
159.04494	1.1
161.02425	4.4
161.04582	0.4
162.03194	0.3
163.03952	0.5
165.09219	0.6
173.04582	0.4
174.25671	0.3
175.03954	0.4
176.01109	0.7
177.01918	17.4
178.02251	0.8
179.03351	0.3
187.04013	1.0
189.01913	33.5
190.02672	7.3
191.03514	8.1
191.05519	0.9
192.03906	0.4
201.01828	0.3
203.03497	3.9
205.05084	0.5
205.12320	2.2
216.00607	5.4
216.34950	0.3
216.46323	0.3
217.01393	29.2
218.01877	2.3
219.02968	11.4
220.03299	0.4
223.13387	1.4
231.02966	9.9
232.03584	0.9
233.04520	1.0
239.06711	0.7
245.08080	0.4
281.04596	0.7
289.07187	1.2
295.06177	0.3
297.07755	0.7
299.05557	0.5
323.05490	1.4
341.06625	68.9
342.06918	4.6
382.18549	0.3
388.69843	0.2
399.18420	0.8
427.19995	0.3
451.10315	100.0
452.10660	9.4
452.17032	0.3
453.11185	0.6
454.11221	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	919.5208
Annotation	Unknow
Peak:m/z	Relative Intensity
69.51292	2.7
93.03480	0.6
96.95995	1.2
117.03464	30.5
118.03819	0.8
119.05019	34.2
120.05366	1.0
121.02962	2.8
123.04490	0.6
133.02966	0.8
145.02943	100.0
146.03290	3.0
154.05600	0.4
162.03134	0.5
163.03998	18.2
164.04309	0.7
205.62671	0.3
219.06551	1.7
219.21082	0.3
255.07048	0.4
267.19690	2.9
285.20691	7.0
345.24268	0.5
413.23288	10.8
414.23743	0.9
431.24326	5.2
432.24792	0.6
487.27158	3.1
505.27988	4.2
506.28580	0.4
755.47467	0.8
773.48364	8.3
774.48651	1.5
919.52045	47.2
920.52557	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	921.5053
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03435	1.9
69.16534	0.7
71.01374	13.5
72.99307	1.2
73.02918	2.1
74.31723	0.7
75.00858	0.8
78.36348	0.7
81.03444	0.8
83.01366	2.2
83.05050	0.7
83.30919	0.7
85.02966	3.2
87.00887	4.0
89.02445	7.5
94.60611	0.6
95.01376	0.9
95.33541	0.6
97.02952	8.5
97.06578	1.7
98.19825	1.2
99.00871	18.2
101.02432	9.6
109.06565	2.3
110.03781	0.8
110.75468	0.7
111.04509	1.2
113.02437	5.0
117.03461	4.1
119.03500	1.4
119.05004	4.5
121.03000	0.9
123.04464	0.9
123.08139	1.1
125.02430	5.3
125.09724	6.6
135.08159	0.7
136.05199	0.8
142.02708	1.6
143.03465	1.3
145.01888	0.7
145.02943	13.2
146.03261	2.1
154.97957	0.8
161.04500	2.0
163.03969	2.4
163.11288	8.9
165.04448	0.7
179.05603	1.6
181.12321	12.5
182.12585	0.8
199.13298	2.1
207.10248	42.2
208.10591	2.0
209.11818	4.6
221.06456	1.0
225.11301	68.0
226.11594	2.6
229.45152	0.7
235.08197	2.5
243.12341	22.0
244.12645	1.1
255.23271	57.0
256.23599	2.3
263.07736	1.6
281.24789	1.7
286.75369	0.7
313.19073	0.8
365.34552	0.7
379.12506	2.0
397.13425	10.5
413.22955	0.9
415.14523	2.0
605.24512	17.0
606.24390	1.9
623.25586	7.2
624.26453	1.0
653.37506	1.3
861.48450	100.0
862.48761	17.5
921.53204	7.7
942.18054	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	917.4872
Annotation	Unknow
Peak:m/z	Relative Intensity
65.25394	4.1
67.48519	4.2
71.01392	29.5
71.31004	8.4
79.95755	4.1
80.96529	8.8
83.05033	4.9
87.00900	11.8
89.02448	21.7
91.61277	3.6
96.96014	9.7
101.02424	21.4
113.02438	12.1
119.03511	8.2
125.02430	13.9
143.03520	9.6
161.04512	7.6
171.10254	6.8
177.81850	4.7
179.05562	11.0
199.13400	14.9
201.11302	100.0
202.11485	4.5
202.36377	4.3
209.11818	92.8
225.11324	11.8
227.12831	22.1
235.08110	7.1
247.61842	4.1
255.23248	66.0
256.23599	8.3
277.21838	7.2
293.21555	6.8
305.08740	4.9
367.75360	4.7
379.12448	23.5
379.16641	5.0
380.06592	4.6
397.13452	94.8
398.13751	7.1
415.14584	17.4
581.24707	11.8
589.25049	14.9
599.26074	6.3
607.26141	12.2
635.36584	18.5
653.37451	40.4
654.38214	7.3
697.90460	4.8
837.48523	31.5
838.48291	4.9
845.49097	10.4
846.48596	5.1
863.48969	5.8
917.48663	72.1
918.49512	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	919.2659
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01878	0.9
72.79693	0.3
72.99328	0.3
79.95753	0.3
85.02927	0.5
87.00877	0.8
89.03962	0.4
93.03451	5.2
95.05009	0.6
96.96001	1.0
108.02190	0.4
109.02947	15.1
110.03312	0.5
111.04488	0.6
117.03478	0.7
119.05032	0.6
121.02949	0.5
122.03686	0.3
123.04515	8.7
125.02433	0.3
133.02940	2.9
134.03745	2.1
135.00766	0.3
135.04477	1.8
137.02426	2.4
145.02953	1.4
146.03764	0.4
147.04517	2.6
149.02391	0.4
150.03212	0.7
151.03996	5.3
155.03511	0.4
155.16132	0.3
159.04517	1.1
161.02422	3.9
162.56006	0.3
163.04042	0.5
171.03154	0.3
173.04518	3.5
175.04031	0.5
176.01131	0.5
177.01913	18.1
178.02574	1.5
179.03485	0.5
187.03946	1.3
189.01910	37.2
190.02672	8.4
191.03481	8.1
191.05579	3.1
192.03893	0.5
195.54346	0.3
201.01828	0.4
203.03481	4.3
216.00615	5.5
217.01385	31.7
218.01997	2.6
219.02965	12.1
220.03304	0.5
231.02960	10.1
232.03595	1.0
233.04457	0.8
239.06711	1.5
239.56749	0.8
240.06737	1.3
245.08275	0.4
275.09277	0.6
281.04565	0.8
289.07129	1.3
293.10294	0.9
297.07553	0.6
323.05579	1.9
341.06616	75.0
342.06915	4.9
370.08926	0.4
381.17386	0.6
399.18423	2.2
400.18793	0.9
401.18707	0.6
449.14554	0.7
451.10287	100.0
452.10635	10.4
452.17001	0.5
453.10712	0.5
463.57291	0.3
467.15561	7.0
468.15961	0.8
473.50577	0.3
479.13934	0.3
937.84308	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	915.4723
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01384	18.1
78.01935	3.1
78.95903	5.2
80.13876	2.9
80.96521	5.4
85.02954	6.2
87.00871	5.2
89.01987	2.9
89.02435	18.4
95.80679	2.8
97.02982	5.2
101.02431	17.9
109.06599	8.0
110.49481	2.7
113.02454	5.8
119.03519	5.1
125.02455	5.5
141.01920	2.8
163.11282	5.7
170.33446	3.2
171.10274	12.3
179.05597	5.1
181.08740	4.9
192.29898	3.1
199.09790	26.8
201.11237	4.6
207.10207	30.7
225.11276	24.7
235.08229	6.7
255.23271	67.3
379.12503	9.0
397.13467	46.5
398.14001	4.2
415.14450	14.3
579.23065	4.5
605.24652	9.0
623.25269	5.1
635.36499	7.6
650.57385	3.4
653.37476	12.6
835.46954	100.0
836.47485	13.8
861.48419	66.2
862.48889	9.9
915.47076	34.1
916.48273	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	915.2343
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01904	1.0
69.03435	1.3
81.03448	2.1
83.01369	5.2
85.02921	1.6
87.00858	1.0
93.03445	6.8
95.01386	1.2
95.05013	2.7
95.75890	0.8
97.02930	3.3
109.02219	1.3
109.02943	19.7
117.03452	1.2
119.05019	5.0
121.02938	3.9
122.03727	1.2
123.04517	15.9
125.02441	100.0
126.02770	2.8
131.04955	1.1
133.02940	4.1
135.04480	2.9
137.02443	21.3
139.03973	2.8
145.02998	1.0
146.03751	1.5
147.04468	1.2
149.02409	6.8
150.03223	1.1
151.04002	13.7
159.04482	3.9
161.02434	30.6
161.06020	4.4
162.03127	2.6
163.00432	1.8
163.03996	6.0
164.01138	5.2
165.01961	6.2
173.04570	10.2
173.06094	1.4
174.03249	1.0
174.93837	1.0
175.03986	13.2
175.07527	0.9
177.01933	6.6
179.03458	5.3
187.03987	10.0
188.04718	3.3
191.05595	13.4
201.05542	1.9
202.06247	2.0
203.03424	1.7
203.07117	12.1
204.04182	0.9
205.01408	3.0
205.05064	9.2
211.03966	1.1
212.04706	1.1
213.05469	2.1
215.03426	1.4
217.04886	2.1
221.08194	2.0
225.05536	1.0
227.03448	1.6
227.07086	2.2
228.04160	1.7
229.05043	4.3
230.37782	1.3
231.02972	1.4
243.02933	3.3
245.04556	7.7
245.08174	16.0
247.06149	2.1
250.51109	1.0
255.02931	10.6
256.03699	5.0
256.19351	0.9
257.04407	2.8
258.23593	0.8
269.04446	3.0
271.06134	2.4
273.03998	5.6
281.04495	3.1
283.02448	3.4
284.02826	1.8
285.04001	4.0
287.05591	15.3
288.06061	1.4
289.07169	67.3
290.07544	2.3
297.04178	2.0
299.05530	5.5
334.82745	1.2
337.09125	2.0
339.08792	5.4
340.54608	0.9
341.06458	1.0
381.09872	2.1
392.92761	0.9
397.29620	0.9
407.07660	73.3
408.08060	6.5
425.08728	85.5
426.08942	7.4
451.10284	20.1
452.10529	1.9
486.88629	1.0
559.12524	3.4
577.13458	59.2
578.13770	8.3
633.06555	1.0
820.63477	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	913.7284
Annotation	Unknow
Peak:m/z	Relative Intensity
67.68279	0.2
71.01385	0.5
71.61572	0.2
71.61998	0.3
106.34034	0.2
144.03426	0.2
152.36041	0.2
255.23169	0.5
324.66446	0.2
397.13574	0.3
407.33081	0.3
423.19171	0.3
455.35245	100.0
456.35608	12.6
456.42264	0.3
457.36139	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	915.2197
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01899	2.1
69.03442	0.6
71.01377	1.3
71.62229	0.6
73.02930	0.7
79.95741	2.0
81.03465	0.8
83.05013	1.2
85.02948	3.7
87.00882	1.5
89.03915	0.6
93.03456	14.9
95.95242	1.0
96.95997	1.6
99.04526	0.5
107.05037	1.3
108.08772	0.5
109.02928	1.3
111.00913	0.9
111.04512	6.1
125.02508	0.6
127.04020	2.0
133.02950	6.9
134.03723	3.8
135.04518	69.8
136.04849	1.5
137.02419	5.4
149.38164	0.5
151.03964	0.7
155.03494	8.0
159.95634	0.5
161.01076	1.2
161.02431	22.3
162.02788	0.9
173.04535	59.8
174.04854	1.1
175.03886	0.6
177.01913	0.7
179.03477	66.7
180.03821	2.3
191.05592	64.7
192.05984	1.4
203.03458	1.0
208.12416	0.6
229.08673	0.8
234.18695	0.5
255.06445	0.6
335.07645	5.8
336.07806	0.6
353.08722	63.2
354.09143	3.1
397.16989	1.0
398.17273	0.6
399.18420	77.4
400.18811	5.5
451.52368	0.7
515.11884	100.0
516.12231	11.1
539.38263	0.6
915.30835	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	913.3347
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01885	1.7
68.99816	2.4
69.03451	2.4
71.01378	43.7
72.99300	7.5
73.02949	3.5
75.00864	20.2
79.95745	1.7
81.03436	1.8
83.01392	2.3
83.05035	1.6
85.02946	40.9
87.00873	13.4
89.02442	14.0
93.03443	8.6
95.01395	8.2
95.05045	1.6
96.95981	8.7
97.02924	1.2
98.19769	2.7
99.00866	16.9
101.02419	4.7
102.04822	1.2
103.00349	3.7
103.59796	1.4
107.04980	1.2
109.02956	2.9
112.01635	2.2
113.02446	48.9
115.00340	3.1
117.01946	2.7
119.03477	1.9
119.04988	3.4
123.04512	1.5
125.02431	4.0
129.01877	1.5
131.03513	2.6
134.03687	1.6
135.00883	2.2
135.03015	1.4
135.04535	5.0
137.02431	17.5
143.03526	1.4
149.02434	1.8
149.04555	1.6
150.03137	1.2
151.03984	1.7
153.01959	2.1
157.01404	1.2
161.02390	1.9
161.12140	1.9
161.13350	27.9
161.97336	1.1
165.01978	1.5
173.04567	5.7
175.02441	2.7
179.03439	2.5
187.11284	13.8
191.05594	16.9
192.05992	1.2
194.49289	1.2
201.11377	1.7
205.07159	7.9
205.12312	21.6
207.05104	2.7
209.11833	5.1
213.09172	1.6
230.24355	1.8
249.06166	13.6
257.86084	1.2
267.07190	53.7
268.07465	1.9
289.07010	2.8
330.45593	1.5
339.07028	1.8
346.05795	1.3
393.18942	1.7
399.18542	5.6
431.15222	1.4
437.17975	1.7
448.51294	1.5
449.14542	3.3
481.17163	7.5
665.27875	1.5
665.39099	3.8
673.60986	1.3
707.38873	1.4
802.35455	1.4
913.33356	100.0
914.33307	19.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	913.2952
Annotation	Unknow
Peak:m/z	Relative Intensity
63.95012	0.1
79.95734	3.2
80.96507	0.1
82.05017	0.1
85.02918	0.3
88.60774	0.1
93.03432	0.5
95.95226	6.7
96.96003	1.0
109.02945	0.2
111.04480	0.1
125.02450	0.1
126.56232	0.1
135.04501	0.9
137.02475	0.2
151.00710	0.5
161.02403	0.3
161.65129	0.1
173.04521	0.2
179.03450	0.8
187.03911	0.1
191.05598	2.7
192.06050	0.2
195.52364	0.1
245.08061	0.1
271.06186	0.2
289.07150	0.3
308.99863	0.1
325.14789	0.2
339.12830	0.4
353.08667	1.3
354.09097	0.2
361.27542	0.1
379.15979	0.2
397.16852	100.0
398.17200	7.0
399.18365	0.4
695.78143	0.1
913.31702	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	911.5214
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03445	2.7
71.01376	100.0
72.01689	1.7
72.99310	3.8
73.02947	4.6
79.99856	1.3
81.03469	2.7
83.01394	3.7
83.05013	2.5
85.02940	9.5
87.00887	5.8
89.02439	20.0
93.03421	1.3
95.01405	2.5
97.02955	9.0
99.00852	6.5
101.02432	16.3
109.06586	20.7
113.02439	10.9
116.92855	3.3
118.26396	1.2
119.03470	6.1
121.02954	1.5
125.02487	7.4
125.09743	2.6
131.03529	2.1
135.08157	1.8
136.05272	1.8
139.03937	1.5
143.03503	4.8
145.31319	1.3
156.30153	1.5
161.04549	3.4
161.09671	2.0
163.11244	13.2
171.10243	10.3
179.05563	4.7
181.12325	5.9
189.65947	1.2
199.09528	1.5
199.13329	2.2
201.11261	5.7
207.10240	63.5
208.10551	2.6
209.11823	1.5
221.06586	1.9
225.09187	2.7
225.11301	35.3
226.11430	1.8
235.08235	7.7
243.12369	5.6
255.23277	82.0
256.23599	4.7
287.07654	1.5
305.08545	1.6
356.19812	1.3
356.24329	1.4
379.12357	5.4
397.08270	2.2
397.13464	45.7
415.14581	10.9
417.48734	1.5
516.18903	1.8
605.24402	3.8
621.38550	1.4
623.25476	3.1
653.38184	1.9
706.82086	1.4
796.77747	1.4
861.48425	33.6
862.48871	12.7
879.49994	6.8
911.51990	13.4
912.52496	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	911.5201
Annotation	Unknow
Peak:m/z	Relative Intensity
66.52203	1.7
69.03429	1.7
70.25836	5.7
71.01377	100.0
72.99285	2.6
73.02945	4.6
81.03455	2.0
83.01385	1.9
83.05070	2.0
85.02937	8.0
87.00879	4.4
89.02436	20.9
93.84736	1.9
95.01376	2.1
97.02949	8.6
99.00867	6.0
101.02419	21.0
109.06579	19.5
113.02436	11.2
119.03508	5.3
119.10169	1.8
125.02427	5.0
125.09679	2.4
139.07553	1.7
143.03490	4.8
147.62502	1.6
151.38605	1.9
152.02580	1.6
161.04498	3.5
163.11279	14.7
171.10236	10.8
175.16068	1.7
179.05612	3.8
181.12309	3.7
189.09149	1.8
191.05702	1.6
197.07484	1.7
199.13397	2.9
201.11284	8.7
201.30775	1.8
207.10245	60.9
208.10570	3.8
209.11812	3.6
225.11313	32.4
235.08220	6.4
241.82899	1.7
243.12311	3.3
255.23245	74.7
256.23608	6.4
269.24869	1.8
284.27072	1.7
287.07553	2.6
362.16232	1.6
379.12387	6.1
397.13434	44.1
397.18491	3.5
398.13458	2.3
415.14441	11.7
462.47839	1.9
605.24707	2.3
623.25134	3.6
861.32538	3.0
861.48444	39.1
862.48602	12.2
879.49030	6.0
911.52094	13.0
912.51990	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	911.3185
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99795	2.4
70.32327	6.9
71.01382	31.7
72.99292	5.5
73.02956	1.6
75.00873	18.9
81.03426	1.6
83.01402	4.3
85.02945	33.0
87.00874	11.1
88.98810	1.7
89.02428	8.3
93.02924	1.9
93.03460	19.7
95.01360	7.2
96.96008	24.7
99.00867	15.3
101.02468	2.9
103.00365	3.0
103.95489	1.6
107.05019	3.0
108.02166	3.5
109.02947	4.3
113.02441	39.7
115.00336	2.6
117.01873	2.1
121.02891	2.9
122.03732	1.6
123.04538	2.9
125.02425	7.4
129.01968	3.3
133.02956	2.6
134.03751	11.4
135.04524	96.5
136.04836	3.5
137.02426	6.2
149.02350	3.4
149.04536	2.0
149.06030	2.1
150.03195	5.3
151.03831	1.6
153.01991	1.9
157.01407	2.1
161.02403	4.4
161.13379	22.8
162.13622	2.3
165.01895	2.5
165.05537	4.7
167.03198	1.7
173.04530	6.4
175.02512	3.0
175.03862	2.9
178.02615	3.7
179.03464	2.3
187.11256	13.5
191.05624	17.8
193.05057	17.8
195.06561	5.0
199.55356	1.8
205.07082	6.4
205.12291	18.3
206.93262	1.7
209.11855	2.5
213.09143	2.5
231.05109	2.6
237.47964	1.7
249.06111	10.8
267.07184	51.7
289.07251	2.6
341.10144	2.7
341.69873	1.6
389.12299	5.5
399.18152	3.9
403.40808	1.7
413.20175	2.7
449.14267	3.5
463.16089	2.6
481.16879	8.3
572.08722	1.7
679.29962	9.8
775.26794	10.2
821.23285	2.0
875.36322	2.1
911.31854	100.0
912.32129	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	905.4658
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01379	52.9
73.02929	12.1
78.95856	9.0
80.72548	7.5
80.78205	7.1
82.11130	8.4
85.02966	9.5
87.00861	9.1
89.02448	12.8
96.96031	10.8
98.02684	9.8
99.00904	8.2
101.02438	20.9
109.06609	10.8
111.08128	12.7
122.96201	8.3
125.02451	13.4
167.33075	8.0
171.10252	61.6
197.11815	52.9
199.09718	55.3
201.11308	14.0
207.10237	56.4
209.11833	37.7
225.11276	52.8
227.12885	14.5
235.08353	15.4
243.12544	7.9
253.09305	40.2
281.24814	60.2
291.19577	33.4
309.20642	100.0
370.79050	9.2
379.12491	14.5
397.13464	32.1
415.14319	15.0
435.18713	23.2
512.95227	8.1
518.95221	12.1
543.87347	9.7
608.84460	9.0
727.39020	22.2
753.40308	26.4
905.47101	29.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	905.511
Annotation	CHEBI:61290
Peak:m/z	Relative Intensity
65.46459	0.6
69.03445	4.6
70.51015	1.3
71.00995	1.0
71.01376	13.5
71.05006	1.2
72.99287	1.6
73.02927	2.2
81.03455	0.7
83.01374	2.1
83.04987	0.7
83.19428	0.6
84.92173	0.6
85.02938	3.1
87.00855	1.9
89.02435	8.4
91.48904	0.6
95.01384	0.9
97.02938	2.4
97.06567	1.1
101.02441	8.4
109.02962	0.8
111.04484	0.8
113.02432	4.1
114.34790	0.6
119.03436	1.6
125.02415	1.8
125.09677	2.1
141.49313	0.7
143.03477	1.0
151.11247	2.7
153.12871	0.8
161.04474	0.8
161.09674	2.6
179.05511	0.7
179.10783	4.1
197.11809	34.7
198.12071	1.3
198.15790	0.7
209.11716	3.6
221.06610	1.7
223.09621	0.8
235.08226	1.2
241.10733	1.9
255.23241	2.8
283.26392	43.1
284.26718	2.8
328.74478	0.7
349.49628	0.6
379.12500	1.5
397.13498	4.3
475.36908	0.6
589.24908	1.1
719.84924	0.6
845.50757	0.7
887.50696	0.7
905.51062	100.0
906.51208	17.6
906.68439	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	905.3656
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01878	0.9
68.99806	1.0
69.03446	0.8
71.01376	10.7
72.99301	1.8
73.02939	0.8
73.82597	0.2
75.00452	0.5
75.00866	7.0
81.03448	0.5
83.01392	1.0
85.02947	13.7
86.03258	0.3
87.00872	4.7
89.02435	2.9
91.04004	0.9
91.04992	0.2
91.05523	5.3
91.06097	0.3
93.03448	2.0
95.01389	3.2
96.95999	0.7
97.02931	0.3
99.00868	4.6
99.04464	0.3
101.02441	0.7
103.00378	1.2
109.02928	0.7
111.00887	0.9
111.04491	0.7
112.01712	0.3
113.02444	17.2
114.02768	0.3
115.00377	1.0
115.03948	0.3
117.01926	1.8
117.03489	1.5
121.02950	16.0
122.03278	0.4
125.02429	0.4
127.03995	0.6
129.01962	1.1
131.03522	0.5
134.03743	0.4
135.04518	3.6
137.02405	0.7
139.00343	0.5
149.04567	0.4
150.03062	0.2
157.01442	0.5
161.02449	0.3
169.04991	0.3
173.04552	1.1
175.02499	1.4
187.59157	0.2
189.04033	0.4
191.05595	16.5
192.05913	0.5
193.05051	0.3
205.07150	0.7
206.45651	0.2
207.05060	0.7
218.31136	0.2
223.08296	0.3
231.05070	1.3
249.06122	15.4
250.06509	0.4
263.07639	3.7
263.10345	0.3
267.07178	44.0
268.07587	1.3
301.03369	0.3
367.10294	3.1
385.11353	100.0
386.11725	6.5
515.25031	0.3
706.00220	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	901.2551
Annotation	Unknow
Peak:m/z	Relative Intensity
66.60845	0.5
67.01878	2.0
71.01369	1.9
71.61874	0.8
73.02957	0.7
73.51910	0.5
80.38626	0.5
81.03431	1.3
83.01372	0.6
83.05032	0.9
85.02947	7.5
87.00875	3.0
93.03453	13.5
94.03758	0.6
95.05011	0.7
96.95997	5.0
105.03491	0.5
108.02154	0.5
109.02949	13.3
110.74583	0.5
111.04484	2.4
119.05003	1.1
120.36085	0.5
121.02940	0.8
123.04527	7.5
125.02424	0.6
127.03976	1.9
133.02933	2.2
135.04506	1.7
137.02419	1.3
145.02960	0.9
147.04495	1.7
149.02441	0.7
150.03125	0.7
151.03998	3.4
155.03485	1.0
158.03574	0.6
159.04465	1.9
161.02435	5.1
171.02875	0.7
173.04547	11.3
173.05980	0.8
174.04875	0.7
174.06677	0.5
176.01082	0.6
177.01915	14.7
179.03479	0.7
183.04460	0.7
187.04005	1.4
187.07584	6.1
189.01912	29.9
190.02679	6.8
191.03600	7.2
191.05586	100.0
192.05901	3.4
198.43091	0.5
200.04784	0.9
202.06305	0.5
203.03511	4.1
213.09151	3.1
215.07182	1.9
216.00613	4.8
217.01387	25.5
218.01949	1.8
219.02989	10.5
220.03284	0.9
227.03397	0.9
228.04283	1.2
231.02950	9.1
231.10291	2.6
232.03537	1.0
233.04407	0.9
233.06677	0.9
245.08203	0.7
257.08157	8.7
258.08426	0.7
275.09235	5.0
289.07141	1.4
297.08017	0.6
323.05634	1.7
341.06616	69.6
342.06992	5.1
413.12177	0.6
449.09271	0.8
449.14484	22.4
450.14777	1.8
451.10287	87.5
452.10651	8.8
534.22546	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	903.2344
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01882	0.3
67.59864	0.2
69.03428	0.2
69.29361	1.4
69.29767	0.4
71.01357	0.5
81.03473	0.3
83.05015	0.3
85.02943	4.5
85.05671	0.2
87.00864	0.9
91.05541	0.2
92.80265	0.2
93.03445	2.5
96.96013	0.3
96.99339	0.2
107.05028	0.6
109.02937	0.8
111.04491	1.3
117.03462	0.3
121.02861	0.2
123.04495	0.5
127.03978	1.5
129.01961	0.2
133.02925	1.2
134.03740	3.9
135.04515	44.3
136.04845	1.2
137.02417	0.4
146.03702	0.6
147.04514	0.2
149.06035	0.3
155.03465	1.5
158.03752	0.3
159.04471	0.8
161.01089	0.3
161.02429	4.8
171.03033	0.3
173.04530	3.9
173.06001	0.4
173.65874	0.2
179.03476	44.2
180.03775	1.2
191.05591	82.7
192.05927	2.1
193.04956	0.3
267.06723	0.3
281.08133	0.5
284.10675	0.2
295.06030	0.3
310.08459	0.5
319.13120	0.2
325.10867	0.2
335.07687	0.7
353.08728	100.0
354.09091	6.3
387.10791	3.0
388.11301	0.2
515.11914	7.2
516.11926	0.8
765.60211	0.2
813.66400	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	899.4632
Annotation	Unknow
Peak:m/z	Relative Intensity
64.95127	1.0
69.03464	5.7
71.01377	12.2
71.61842	1.7
71.62273	1.3
72.99323	1.5
73.02936	2.4
73.04900	1.1
80.96516	1.6
81.03468	1.9
83.01384	1.7
85.02926	2.9
87.00845	3.4
89.02439	6.6
95.66867	1.3
96.96004	3.7
97.02965	2.0
101.02444	7.7
101.24997	1.2
113.02440	3.7
119.03492	1.7
123.08108	2.6
125.02486	1.9
125.09756	1.8
151.11368	1.9
153.12775	1.6
161.04503	1.8
161.09724	2.8
169.12396	1.3
179.10760	5.7
191.05556	2.4
193.93837	1.0
197.11813	37.6
198.12151	2.6
209.11853	1.5
220.02521	1.3
221.06616	1.6
241.10812	1.7
253.09264	1.9
277.21692	32.6
278.21985	2.1
292.19952	1.1
309.20575	2.6
310.20905	2.7
311.21042	1.1
448.24411	1.2
674.60785	1.3
899.46368	100.0
900.46637	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	899.464
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03439	3.2
71.01380	11.3
71.05004	1.6
71.62210	1.2
72.99302	0.9
73.02929	1.8
74.85660	0.8
78.95918	1.2
80.96511	0.9
83.01366	1.7
85.02933	3.2
87.00857	2.4
89.02440	7.3
89.50423	0.8
95.01376	1.1
96.95990	2.2
97.02956	1.4
99.00852	1.0
101.02436	7.6
113.02451	4.1
119.03452	1.6
123.08164	1.4
125.02440	2.7
125.09740	1.7
151.11276	1.8
153.12875	1.2
161.09717	1.9
169.12318	1.3
171.10181	0.9
179.05548	0.9
179.10794	3.9
191.05615	1.7
197.11818	54.8
198.12140	3.1
203.41068	0.7
221.06705	2.1
223.09706	1.0
226.60098	0.8
235.08061	0.8
241.10785	2.7
245.24249	0.8
253.09203	0.8
277.21713	19.2
278.22110	1.5
310.21140	1.5
397.13535	1.4
491.78409	0.8
892.56982	0.9
899.46399	100.0
900.46625	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	899.2965
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01897	0.4
69.03458	0.3
69.60780	0.6
71.01363	0.7
73.02958	0.3
79.95759	0.1
81.03454	0.3
83.01390	0.1
83.05022	0.4
85.02943	7.5
86.03268	0.2
87.00862	1.7
89.02380	0.1
93.03453	4.1
94.03738	0.1
95.01374	0.2
96.96004	0.8
99.00873	0.1
99.04507	0.4
109.02950	0.9
111.04514	1.4
113.02450	0.1
125.02460	0.2
127.03999	2.0
133.02971	0.4
134.03754	0.2
134.58459	0.1
135.04564	0.7
137.02472	0.2
137.15530	0.1
143.03459	0.1
149.02382	0.2
153.01982	0.1
155.03513	0.3
158.03802	0.1
159.04485	0.2
161.02423	0.4
165.02007	0.1
171.03014	0.5
171.04210	0.1
172.05276	1.2
173.04550	3.1
173.06012	0.5
174.03134	0.1
174.04785	0.2
177.01942	0.2
179.03461	0.4
183.04489	0.4
186.03255	0.1
187.04031	0.3
187.07629	9.6
188.07957	0.4
189.05591	0.1
191.05591	100.0
192.05927	3.0
193.06088	0.2
198.06828	0.1
199.03978	0.9
200.04729	0.5
201.05553	0.1
202.06264	0.5
204.04376	0.2
211.03967	0.2
211.07745	0.2
213.05699	0.2
213.09195	1.3
214.06300	0.3
215.07091	2.4
216.07607	0.1
227.03453	1.4
228.04254	1.3
229.04909	0.1
229.08662	0.7
231.06595	0.3
231.10217	1.5
233.06694	0.2
239.06886	0.1
244.17807	0.1
246.05652	0.1
255.06596	0.2
257.08163	15.3
258.08505	1.2
275.09201	2.0
285.07642	0.4
335.07684	0.1
353.08762	0.4
365.03104	0.2
381.17157	0.1
383.04340	0.3
399.18414	0.4
405.11929	0.2
415.17917	0.3
428.92004	0.1
431.13422	1.1
431.18637	0.1
449.14481	11.2
450.14871	1.3
477.40988	0.1
557.12427	0.1
899.28577	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	899.2469
Annotation	Unknow
Peak:m/z	Relative Intensity
63.31537	0.1
67.01871	0.4
69.03440	0.2
71.01375	0.7
73.02949	0.4
75.91814	0.2
78.24477	0.2
80.84860	0.2
81.03462	0.4
83.05037	0.4
85.02943	10.7
87.00864	2.0
93.03453	4.4
94.03767	0.2
99.04485	0.4
106.78850	0.2
108.02187	0.2
109.02940	1.6
111.04498	1.4
125.02431	0.3
127.04003	3.3
133.02896	0.4
133.54202	0.2
135.04520	3.1
135.31760	0.2
137.02423	0.4
155.03459	0.2
160.04001	0.2
161.02397	0.8
171.03024	0.8
173.04530	1.7
191.05594	100.0
192.05951	2.8
193.07304	0.2
205.07239	0.4
238.06204	0.2
239.06715	0.2
239.98914	0.2
240.04129	0.2
255.08829	0.4
256.09717	0.3
281.04468	0.7
282.07605	0.5
284.09027	0.3
297.06448	0.3
297.09708	0.3
309.09869	0.2
310.06952	1.3
311.07852	3.3
312.08618	4.8
313.08853	0.3
325.09323	2.2
327.10941	24.4
328.11212	1.6
338.06558	1.5
353.08881	14.2
354.09152	0.9
371.09915	8.8
372.10129	0.5
421.07437	0.4
515.12097	0.4
545.15204	41.3
546.15515	4.0
694.65027	0.2
707.18304	0.3
897.44659	0.2
899.24731	0.7
900.25067	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	899.2463
Annotation	Unknow
Peak:m/z	Relative Intensity
65.15411	0.2
67.01869	0.3
69.03450	0.3
69.24863	0.2
70.93726	0.2
70.98440	0.5
71.01371	1.0
73.02931	0.4
81.03463	0.3
83.05013	0.3
84.41195	0.2
85.02943	11.7
87.00871	1.8
93.03446	4.9
96.95959	0.3
99.04530	0.3
107.64896	0.2
109.02929	1.6
111.04514	1.5
113.02436	0.2
125.02452	0.3
127.03992	3.1
133.02917	0.4
135.04514	2.3
137.02426	0.4
155.03439	0.5
161.02457	0.8
171.02960	0.6
173.04562	1.5
185.43842	0.2
191.05586	100.0
192.05930	3.3
193.07166	0.3
246.13231	0.2
247.56387	0.2
255.08827	0.4
256.09433	0.3
281.04269	0.4
282.07422	0.5
284.09122	0.5
289.06967	0.3
297.09760	0.4
309.09937	0.4
310.06995	1.0
311.07819	2.1
312.08588	4.4
325.09375	2.0
327.10947	21.0
328.11163	1.4
338.06650	1.3
353.08856	15.9
354.09302	1.0
371.09885	6.6
372.10196	0.5
421.07837	0.3
545.15186	41.4
546.15485	4.4
585.66577	0.2
707.17029	0.4
718.37885	0.2
899.24695	1.7
900.25269	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	897.5058
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03448	1.8
70.76538	2.6
71.01377	100.0
72.99305	1.6
73.02931	5.3
75.00851	1.7
80.96499	1.7
81.03469	2.4
82.21069	1.0
83.01376	3.2
85.02965	6.4
87.00874	7.7
89.02443	19.4
95.01408	3.0
95.05035	1.8
97.02953	6.7
99.00898	5.1
101.02433	16.9
109.06586	8.7
109.39511	1.1
113.02456	9.8
119.03500	4.0
125.02443	7.5
125.09703	3.2
127.11223	1.3
130.22192	1.0
135.08067	1.0
141.01698	7.4
143.03490	2.8
155.10738	1.3
160.17844	1.1
161.04562	3.9
161.09700	1.3
163.11273	4.8
171.10252	51.2
179.05623	3.2
181.12347	4.2
199.09766	12.1
201.11320	13.5
207.10245	23.8
209.11777	1.7
217.07158	1.1
221.06590	2.2
225.11273	12.0
235.08197	9.3
243.12332	1.7
253.09312	2.5
255.23260	79.7
256.23663	5.4
277.21725	1.3
287.07724	1.2
305.08829	2.3
323.09851	1.5
379.12152	7.8
397.13452	49.5
398.13736	2.9
404.21146	1.4
415.14551	10.1
524.98297	1.3
623.25562	2.0
653.37329	2.2
673.54883	1.3
835.46729	4.8
861.48145	13.8
862.49127	4.0
875.22528	1.2
879.49487	3.4
897.50781	14.3
898.50031	2.8
931.39746	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	897.5061
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99797	1.1
69.03434	1.4
70.94188	2.0
71.01378	100.0
71.05013	0.8
72.01701	1.4
72.99292	2.7
73.02934	5.6
75.00884	7.3
81.45333	0.9
83.01381	2.6
85.02927	6.2
87.00881	5.7
87.01335	1.1
89.01911	1.5
89.02438	20.9
95.01384	1.7
97.02974	4.4
99.00862	2.0
101.02442	18.3
109.06570	5.5
113.01701	1.0
113.02443	11.5
119.03483	4.9
121.06517	0.8
125.02435	7.5
125.09702	2.4
127.11259	2.7
131.03468	1.4
132.94736	0.9
133.96213	0.9
141.01959	0.9
143.03462	3.5
155.10727	1.2
161.04520	3.6
163.11273	4.2
171.10260	55.1
172.10567	1.6
179.05569	4.1
179.55029	0.8
181.08733	1.1
181.12300	1.9
199.06070	0.8
199.09720	13.9
199.13370	1.4
201.11299	15.3
206.38957	0.8
207.10234	23.2
217.10655	0.9
221.06633	1.4
225.11298	13.1
226.11678	1.2
235.08221	6.5
243.12267	1.8
253.09328	1.7
255.23274	80.6
256.23660	4.3
269.25024	1.0
287.07751	1.2
305.08673	1.9
309.20587	1.6
311.22095	1.1
331.65222	1.0
379.12448	8.6
397.13461	52.3
398.13806	3.3
415.14630	10.6
572.47980	1.0
579.22876	1.7
605.24323	1.2
623.25604	1.5
653.37341	1.5
835.46899	3.4
861.48187	12.4
862.49603	3.8
879.48785	2.3
897.34167	1.6
897.50562	18.0
898.50568	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	897.4613
Annotation	Unknow
Peak:m/z	Relative Intensity
62.75015	2.7
70.11107	10.0
71.01365	8.7
82.71143	2.7
87.00842	3.5
89.02445	5.7
97.02948	2.7
98.20590	3.0
99.00883	4.5
101.02398	4.3
113.02406	4.0
125.02450	3.6
165.73328	3.1
181.01961	2.6
181.12323	6.0
198.35187	3.2
207.10284	14.3
209.11777	4.8
210.12254	2.8
225.11298	32.2
243.12302	7.4
255.23235	30.6
256.23651	3.0
358.06427	3.0
397.13385	10.6
415.14450	3.0
605.24481	16.6
623.24915	5.2
772.86865	4.1
861.48468	75.1
861.64832	4.8
862.49078	16.1
897.46204	100.0
898.47070	22.1
901.51758	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	895.5271
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03452	0.8
71.01383	14.3
71.62592	1.0
72.99302	1.3
73.02949	2.4
75.00874	1.1
80.02659	0.7
81.03451	1.6
83.01374	1.9
83.05000	4.4
84.02151	1.1
85.02949	3.9
87.00888	5.0
88.98813	3.4
89.02437	13.1
94.77435	0.7
95.01409	1.3
95.04989	1.0
97.02950	3.0
99.00861	1.5
101.02436	10.8
109.89707	0.6
110.80946	0.6
113.02444	7.4
119.03503	2.5
125.02432	5.2
125.06069	0.7
133.05136	1.0
138.27748	0.7
142.03015	0.8
143.03487	2.6
146.97754	0.8
161.04524	2.7
163.11261	4.5
165.12856	2.2
179.05582	4.0
191.10861	1.1
209.11810	100.0
210.12131	4.2
221.06807	0.9
227.12881	12.9
228.13168	0.7
235.08191	5.0
242.73308	0.7
253.09274	0.8
255.23268	55.7
256.23532	3.6
259.15503	0.7
269.24823	0.8
287.07724	1.8
294.32971	0.8
305.08755	2.0
315.46021	0.7
323.09653	0.8
379.12402	11.8
394.26001	0.7
397.13443	43.0
398.13797	2.4
415.14478	9.1
589.24622	1.0
607.26190	2.0
635.36523	2.2
653.37714	4.1
654.38269	0.8
821.68884	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	895.5059
Annotation	Unknow
Peak:m/z	Relative Intensity
67.61680	1.9
70.89413	5.5
71.01375	10.1
73.02956	2.5
81.03425	2.6
83.01391	3.2
83.05022	3.6
83.26325	2.0
85.02930	3.4
85.79529	1.9
85.99508	1.7
87.00864	6.3
87.22274	1.7
89.02415	10.1
95.05006	2.0
96.96011	2.6
97.02942	4.4
97.06557	5.5
101.02440	14.2
111.08158	11.3
113.02423	6.5
119.03519	3.7
123.04494	5.3
125.02420	3.2
125.09713	5.5
127.11340	2.2
137.09683	3.9
151.11237	2.0
161.04515	7.5
163.11269	6.7
165.12866	2.6
169.12325	8.5
171.10236	7.3
179.10704	2.3
181.12335	3.4
185.11795	6.9
191.14381	9.9
194.12877	2.1
197.11807	67.4
198.12166	2.4
199.13351	2.8
201.11176	2.4
207.10182	3.5
209.11833	20.4
211.13438	12.1
225.11284	4.3
227.12814	3.6
235.08229	3.2
237.11346	2.8
245.19060	15.8
253.09256	33.5
254.09396	3.8
255.23270	4.5
263.20187	7.0
265.17993	2.3
271.17050	3.6
275.46576	2.0
289.18082	87.9
290.18372	7.5
291.19632	37.3
292.19855	3.3
307.15549	3.3
307.19128	80.1
308.19482	7.6
309.20679	100.0
310.20969	6.2
525.26147	3.1
543.28741	2.4
545.29657	2.7
678.94202	2.1
895.47748	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	895.506
Annotation	Unknow
Peak:m/z	Relative Intensity
63.92519	2.0
64.84248	1.9
71.01366	11.9
71.08795	4.1
72.63744	1.8
72.99271	1.5
73.60445	1.6
74.49226	1.6
81.03480	2.5
83.01386	3.0
83.05014	2.8
85.02964	2.5
87.00864	6.6
89.02447	7.3
89.90308	1.7
95.05019	2.5
96.96099	2.0
97.02924	3.4
97.06604	3.2
101.02435	8.0
101.79316	1.7
111.08156	10.3
113.02442	4.6
119.03568	2.4
123.04491	3.5
123.08105	3.3
123.24734	2.0
125.02472	2.4
125.06052	2.5
125.09702	7.3
137.09694	5.4
161.04582	3.9
163.11253	7.4
163.70070	1.9
164.44778	2.0
165.12799	3.6
169.12315	5.1
171.10318	4.1
179.10794	2.7
181.12308	4.6
185.11804	7.0
190.72711	2.2
191.10651	1.8
191.14371	8.3
197.11813	72.8
198.12268	2.3
199.13332	4.6
204.37140	1.7
207.10199	5.7
209.11803	18.8
211.13460	10.7
223.09930	2.0
225.11194	4.3
226.12015	1.9
227.12834	3.9
235.08147	6.0
237.11240	5.2
245.19058	20.1
253.09253	30.5
254.09621	2.3
255.23332	4.8
263.20108	8.4
283.27603	2.2
289.07394	2.6
289.18060	87.5
290.18442	4.6
291.19601	38.5
292.19962	2.8
307.15564	4.5
307.19135	87.2
308.19473	6.1
309.20679	100.0
310.21014	6.3
348.72769	2.0
386.71747	2.1
444.23538	2.3
511.13922	2.0
525.27167	4.1
527.28534	2.5
830.23425	2.4
895.47809	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	893.4899
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01373	9.8
71.61518	3.5
73.02917	2.3
81.03442	3.4
83.01386	3.5
85.02947	2.9
89.02425	5.7
96.96011	4.5
97.02926	2.2
97.06602	5.8
101.02446	6.4
101.45216	1.5
113.02470	4.6
119.03469	3.0
119.05046	1.7
119.08583	2.0
121.06652	1.8
123.04497	5.0
125.09693	8.2
135.08109	2.4
137.09747	2.3
151.03790	1.9
161.04469	2.2
163.11316	11.6
171.10274	3.9
185.11841	12.7
191.14357	7.9
207.10187	4.0
209.11790	24.8
217.15958	2.3
225.11267	4.3
225.78815	1.7
235.08258	4.3
237.11272	6.0
245.19032	21.6
253.09209	15.4
255.23276	4.1
263.20221	6.2
271.17181	3.3
281.24725	2.5
287.16742	2.3
289.18054	100.0
290.18378	6.5
291.19513	2.6
307.19125	94.9
308.19440	6.6
309.20737	2.5
331.18970	2.0
397.13190	3.2
525.27087	3.1
543.27930	3.4
552.83795	1.8
692.40271	1.8
742.20898	1.7
879.39276	2.0
893.48694	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	893.3081
Annotation	Unknow
Peak:m/z	Relative Intensity
65.15388	0.2
69.03454	11.3
70.03784	0.3
71.01376	1.6
71.62174	0.2
71.62531	0.2
73.02939	0.6
79.01885	4.7
81.03457	0.5
83.01351	0.3
85.02933	1.1
89.02415	0.3
95.01401	2.5
96.95998	0.7
97.02949	6.1
99.00883	0.4
101.02434	0.7
107.00835	0.2
107.01385	10.1
108.02169	23.2
109.02462	0.4
113.02448	1.0
123.00876	2.9
125.02441	11.7
126.02803	0.3
131.87653	0.2
133.02998	0.2
133.40935	0.2
135.00877	40.0
136.01196	0.8
137.02492	0.3
142.45236	0.2
151.00380	1.7
152.01141	66.4
153.01453	1.7
159.02916	0.2
161.02419	0.4
161.04475	0.5
191.05678	0.6
197.06087	0.3
239.12726	0.2
242.05811	1.4
243.06590	100.0
244.06917	5.0
269.08270	0.3
285.07626	1.1
304.67484	0.2
314.10913	0.2
315.18082	1.2
327.08667	0.4
357.19302	0.3
387.10822	2.4
388.11121	0.2
447.12949	2.0
448.13153	0.3
825.00201	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	891.349
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01884	0.7
68.99812	1.0
69.03442	0.9
69.79906	1.1
71.01378	7.4
72.99301	2.1
73.02937	1.1
75.00872	8.3
81.03441	0.5
83.01390	0.6
83.05022	0.4
85.02946	10.0
86.03273	0.3
87.00864	3.1
88.55352	0.2
89.02441	2.1
91.04000	0.5
93.03447	2.0
94.03792	0.4
95.01382	3.1
96.96033	0.3
97.02904	0.3
98.19844	0.3
99.00877	5.4
99.30766	0.3
101.02406	0.3
103.00375	0.9
107.20961	0.2
109.02939	0.6
111.00875	0.8
111.04515	0.5
113.02443	11.5
115.00367	0.7
117.01923	1.8
121.02946	44.2
122.03301	1.6
129.01973	1.2
134.03697	0.8
157.01462	0.7
173.04590	1.4
175.02461	1.1
189.04123	0.3
191.05577	4.8
192.05983	1.2
193.06099	0.7
203.90048	0.2
231.05087	3.1
249.06123	28.9
250.06483	1.0
251.06383	0.3
353.08719	0.6
367.10226	1.7
368.10742	0.9
369.10703	0.8
370.11038	0.3
371.09781	100.0
372.10126	8.0
373.10287	1.1
444.51279	0.2
828.39917	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	889.3336
Annotation	Unknow
Peak:m/z	Relative Intensity
66.34444	0.1
67.01890	0.7
68.99817	1.2
69.03463	0.9
71.01379	8.1
71.61951	0.1
71.97691	0.1
72.99308	2.3
73.02943	0.9
75.00868	8.7
81.03465	0.6
83.01389	0.7
83.05021	0.2
84.02167	0.2
85.02949	10.4
86.03282	0.2
87.00376	0.1
87.00871	3.5
89.02437	1.9
91.04007	0.4
93.03452	2.2
94.03785	0.1
95.01384	3.0
97.02948	0.3
99.00877	5.3
101.02445	0.2
103.00380	0.8
108.02174	0.2
109.02951	0.5
111.00889	0.9
111.04508	0.5
113.02447	12.3
114.02767	0.2
115.00353	1.0
115.04011	0.3
117.01946	1.7
121.02949	48.0
121.52174	0.1
122.03264	1.1
127.04055	0.1
129.01953	0.9
131.03500	0.1
133.05150	0.1
134.03716	0.4
135.04469	0.1
139.00342	0.2
143.03448	0.1
157.01433	0.4
159.23535	0.1
169.05014	0.1
173.04541	1.4
174.04875	0.2
175.02477	1.1
189.04056	0.7
191.05595	2.8
192.05954	0.5
229.67615	0.1
231.05092	2.9
249.06128	31.3
250.06546	1.2
311.07608	0.2
353.08734	0.7
367.10330	1.3
368.10678	0.4
368.23743	0.1
369.11142	0.3
371.09787	100.0
372.10138	6.7
372.15228	0.1
443.35315	0.1
691.89789	0.1
854.67242	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	887.3551
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01878	0.7
67.53196	0.1
69.03444	0.2
71.01383	0.7
71.61667	0.2
72.99258	0.2
73.02925	0.3
81.03456	0.2
83.05048	0.2
85.02946	6.1
87.00859	1.8
93.03455	4.8
95.01379	0.2
96.96012	0.4
99.04517	0.3
101.02468	0.2
109.02941	0.6
111.04498	1.1
113.02406	0.3
116.33657	0.1
127.04010	1.8
134.03746	1.9
135.04510	0.4
137.02405	0.4
152.74962	0.2
155.03505	0.3
159.52179	0.2
160.01656	0.3
161.02457	0.3
171.02969	0.5
173.04529	3.3
174.04889	0.2
175.03969	0.3
179.03517	0.3
191.05597	100.0
192.05946	3.4
193.04965	1.2
236.06729	0.2
267.07291	0.3
349.20337	0.2
353.08606	0.4
367.10297	26.1
367.20792	0.5
368.10562	1.9
385.11423	0.4
433.18951	0.4
501.15939	0.3
887.24188	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	887.3546
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01889	3.8
68.54395	0.2
69.03453	1.2
69.38141	1.0
69.38567	0.8
71.01386	1.8
72.99329	0.2
73.02924	0.2
74.44259	0.2
81.03451	1.0
83.05021	0.6
85.02945	4.7
87.00874	5.2
89.03960	0.2
93.03454	31.2
94.03790	0.8
99.00851	0.6
99.04498	0.5
109.02956	0.7
111.04507	4.1
113.02420	0.3
115.91219	0.3
117.03453	0.8
123.93915	0.2
127.04010	1.5
129.01933	0.7
134.03732	11.5
137.02438	1.1
143.03458	0.3
149.06067	0.8
155.03452	1.6
162.06418	0.2
173.04535	29.9
174.04887	1.1
175.03955	0.4
178.02684	0.2
191.05594	100.0
192.05916	3.5
193.04994	7.9
194.05368	0.5
218.72447	0.2
229.39215	0.2
266.08405	0.2
267.60876	0.2
367.10291	61.2
368.10635	5.3
369.10864	0.8
371.09546	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	885.339
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03951	0.2
67.01888	4.1
69.03451	1.2
70.75701	0.2
70.76012	0.1
70.79808	0.1
71.01377	1.7
72.99281	0.1
73.02951	0.3
81.03445	0.8
83.05019	0.7
85.02948	4.6
87.00871	6.1
89.03948	0.2
93.03454	29.6
94.03789	0.6
96.95988	0.1
97.02909	0.2
99.00879	0.4
99.04505	0.6
101.02457	0.2
109.02938	0.7
111.00867	0.1
111.04510	4.7
113.02446	0.4
115.04002	0.2
117.03469	1.0
125.02436	0.2
127.04005	1.6
129.01941	0.6
132.02174	0.1
134.03735	10.7
135.04082	0.2
137.01591	0.1
137.02449	0.8
143.03511	0.3
149.06068	1.0
153.01924	0.2
155.03484	1.4
160.01634	0.4
171.02975	0.4
173.04535	22.0
174.04781	0.6
175.03963	0.7
176.54654	0.1
178.02747	0.3
191.05598	100.0
192.05948	2.6
193.05032	7.0
194.05296	0.2
236.06691	0.1
353.08691	0.2
367.10297	53.5
368.10666	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	883.3244
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98826	3.6
68.99818	2.5
69.03432	1.5
69.27423	1.3
69.27819	7.3
71.01379	44.5
72.01689	0.8
72.96895	0.8
72.99301	8.1
73.02940	4.2
75.00866	21.8
83.01366	3.5
83.05019	1.4
85.02944	40.0
87.00871	13.4
89.02433	9.6
91.03981	1.5
93.03432	4.0
93.07062	0.9
95.01374	8.0
96.96001	8.3
97.02954	1.6
99.00876	14.5
99.04501	2.4
101.02444	6.1
103.00349	3.3
107.05032	1.5
109.02914	1.4
111.00871	2.0
112.01657	1.2
113.02449	45.7
113.06071	3.3
115.00330	2.9
115.04045	0.9
116.45946	0.9
117.01939	2.2
125.02414	2.6
127.03986	1.3
128.03470	1.0
129.01915	3.3
131.03502	1.2
133.02951	1.2
135.04533	7.0
137.02432	1.8
151.04001	1.2
157.01462	1.6
161.02440	2.6
161.04485	2.1
161.09685	1.3
161.11179	0.9
161.13348	19.5
171.10155	1.1
173.04533	0.9
175.02490	2.1
185.09674	1.8
187.11292	12.9
191.05595	11.4
205.07181	6.7
205.10495	1.5
205.12312	18.3
205.14188	0.6
207.05086	1.6
209.11833	1.9
213.09143	2.5
217.00224	2.1
231.04974	1.6
231.06993	1.9
231.10248	2.1
239.03708	0.9
249.06128	14.6
249.40967	0.9
267.07178	55.0
268.07501	2.1
269.10620	0.9
301.03256	1.0
363.12909	3.8
365.17850	1.1
393.19131	1.1
401.14612	1.1
437.18115	2.6
481.17291	10.3
487.30359	2.2
499.18170	2.3
529.31635	1.4
883.32208	100.0
884.32465	18.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	883.3236
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98831	1.0
67.01875	1.2
68.99802	1.9
69.03440	2.5
69.43200	4.0
71.01380	44.5
72.99297	8.1
73.02949	4.7
75.00871	23.4
79.05486	0.7
81.03427	1.3
81.07059	0.6
83.01372	3.4
83.05000	1.3
85.02948	44.7
87.00871	14.6
89.02443	9.6
91.03990	1.6
93.03432	1.8
95.01380	8.8
95.05001	1.8
96.95993	2.3
97.02930	1.1
99.00873	14.6
99.04494	1.9
101.02434	5.9
103.00376	4.7
105.07101	0.7
107.05013	1.1
109.02921	0.6
111.00898	1.6
112.01633	1.4
113.02444	54.3
113.06094	0.6
115.00352	2.6
117.01923	2.7
120.05698	0.8
124.05257	0.6
125.02429	1.1
126.91019	0.6
129.01974	3.6
131.03481	1.9
135.04507	1.3
143.08720	0.7
149.04587	0.8
149.05911	0.6
157.01451	1.4
159.11687	0.9
161.02385	0.9
161.04539	1.8
161.09731	1.0
161.13356	30.4
162.13670	0.9
162.87074	0.6
166.91904	0.6
167.86101	0.6
170.30534	0.6
172.08929	1.2
173.04468	0.8
175.02419	2.5
185.09645	0.6
187.11269	16.9
191.05586	3.4
205.07158	8.2
205.12318	27.3
206.12578	1.0
207.05077	2.3
209.11702	0.8
213.09184	1.6
229.61613	0.6
231.05006	1.0
231.10240	0.9
249.06122	15.2
249.11339	0.8
267.07184	62.3
268.07538	2.6
269.10248	1.1
393.19049	1.7
401.14310	1.0
437.18073	3.9
463.15085	0.7
481.17105	10.4
482.17346	1.0
499.17975	1.8
633.25299	0.8
865.30225	0.8
883.32288	100.0
884.32605	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	882.433
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98824	100.0
71.01376	0.5
72.01705	0.2
78.95898	0.1
79.80437	0.1
80.05434	0.1
90.56973	0.1
96.96004	1.2
125.02525	0.2
137.02394	0.2
156.38516	0.1
167.59267	0.2
171.10315	0.3
191.05571	0.2
207.10330	0.2
209.11809	0.4
224.35030	0.1
225.11336	0.2
289.07071	0.1
504.89664	0.2
568.49371	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	881.3812
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01891	0.6
69.03458	0.2
71.01383	0.6
71.62244	0.1
73.02955	0.2
81.03442	0.3
81.91748	0.1
83.05029	0.3
85.02945	6.7
86.03321	0.1
87.00871	1.5
89.03992	0.1
93.03453	4.3
94.03776	0.1
95.01384	0.1
95.82285	0.1
96.96020	0.3
99.00841	0.1
99.04512	0.1
101.02457	0.1
102.74159	0.1
109.02955	0.8
111.04513	1.1
113.02422	0.2
125.02449	0.3
127.03996	1.9
129.01984	0.1
134.03741	1.7
135.04494	0.2
136.79529	0.1
137.02414	0.4
149.02380	0.1
152.78630	0.1
155.03476	0.3
160.01674	0.2
161.02347	0.2
165.01903	0.1
171.02980	0.5
173.04543	2.4
173.06023	0.2
175.03954	0.4
179.03413	0.2
191.05595	100.0
192.05942	2.8
193.04990	1.1
289.07153	0.4
367.10294	29.6
368.10678	2.1
385.11209	0.1
399.18396	0.1
528.08673	0.1
563.14587	0.1
643.97296	0.1
808.22589	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	882.4329
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98825	100.0
66.24905	0.2
66.70449	0.2
68.99595	0.3
70.46648	0.4
71.01389	0.2
79.95750	0.3
85.02977	0.2
93.03433	0.2
96.96004	2.0
101.02476	0.2
125.02413	0.4
135.04497	0.2
137.02403	0.3
165.36023	0.2
191.05659	0.8
195.12550	0.2
197.11790	0.2
209.11913	0.2
242.51514	0.2
247.64105	0.2
264.65738	0.2
289.07330	0.2
409.17459	0.2
645.32300	0.2
764.88000	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	881.329
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03447	1.9
71.01379	32.1
71.61842	0.6
72.99299	2.2
73.02534	1.0
73.02938	17.0
75.41433	0.4
81.03460	0.7
83.01376	6.5
85.02943	7.7
87.00883	2.5
87.04508	1.4
89.02439	24.5
90.02753	0.5
93.03437	1.8
95.01397	2.3
96.95991	0.9
97.02938	1.0
99.00901	2.6
99.04504	0.7
101.02436	27.8
101.06053	0.8
102.02761	0.5
113.02444	14.9
119.03497	9.3
123.04447	0.5
125.02428	3.1
131.03513	1.8
135.04524	0.7
137.02406	0.8
141.67911	0.5
143.03474	3.5
149.04567	2.8
151.04012	1.6
153.09122	0.5
159.02959	0.6
161.02477	0.6
161.04549	8.0
163.00339	0.4
173.04501	1.3
179.03407	0.7
179.05609	2.8
185.11797	1.0
187.13379	15.6
191.05598	6.4
203.05618	0.8
221.06645	1.3
223.20641	0.5
233.06596	0.7
253.14369	1.0
288.12708	0.4
293.08875	3.0
331.17593	23.1
332.17899	1.5
349.18616	35.8
350.18942	2.3
353.08176	0.5
391.19702	100.0
392.19980	7.2
434.09937	0.7
435.11249	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	879.4947
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98810	4.8
67.47717	1.5
70.35172	4.4
71.01380	39.5
72.99295	2.2
73.02605	2.0
73.02934	10.8
74.87775	1.6
75.00847	1.9
83.01392	2.6
83.05013	2.2
85.02947	9.4
87.00889	7.2
89.02441	29.9
95.01402	3.2
97.02949	7.3
99.00861	5.7
101.02444	24.0
109.06587	9.7
111.04553	1.6
113.02425	15.3
119.03488	6.3
125.02432	10.3
125.09710	3.5
125.65403	2.0
127.11296	2.2
135.08075	2.1
137.09721	2.7
137.89857	1.6
141.01958	3.6
143.03479	6.4
161.04572	5.2
161.09636	2.6
163.11240	8.2
171.10269	36.3
172.10631	1.8
175.28577	1.8
179.05577	4.1
181.08711	3.5
181.12347	5.2
197.11836	4.5
199.09743	17.1
199.13342	3.5
201.11284	12.4
207.10243	37.6
215.12924	5.1
217.07019	2.2
221.06639	3.5
225.11295	40.8
235.08249	7.0
243.12315	6.6
253.09296	2.6
255.23276	100.0
256.23657	8.8
293.21216	4.1
305.08691	2.2
323.10104	3.0
379.12289	13.3
397.13467	54.5
398.13800	4.6
415.14594	14.3
551.23560	2.5
605.24493	2.3
613.63074	1.9
616.53229	1.9
623.25183	3.4
635.36688	3.7
653.37732	7.9
835.46936	20.3
836.47589	3.7
861.48486	25.8
879.49115	44.4
880.49927	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	879.4952
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98808	1.9
69.03426	1.6
70.02466	2.7
70.02843	1.1
71.01379	19.5
71.04999	1.5
72.99298	1.2
73.02944	3.3
83.01367	1.2
83.05001	1.0
85.02950	3.5
87.00863	3.2
89.02440	14.0
92.68291	0.6
95.01374	1.6
95.05025	0.8
96.90805	0.7
97.02932	7.1
97.06559	2.1
99.00873	12.4
101.02440	12.8
102.10431	0.7
109.06573	1.9
111.44746	0.7
113.02429	5.8
119.03474	2.4
121.02853	0.6
123.08149	0.9
124.76291	0.8
125.02470	4.6
125.09723	5.8
131.03453	0.9
135.08125	0.9
142.02649	0.8
143.03458	1.4
153.12846	0.9
161.04501	2.2
163.11269	7.9
171.10249	14.2
179.05591	1.9
179.10786	1.0
181.12343	10.3
196.81750	0.8
197.11790	2.4
199.09715	1.2
199.13388	8.5
200.13600	0.6
201.11285	2.3
207.10243	27.8
208.10626	1.0
213.95531	0.7
215.12807	0.7
217.07063	1.0
221.06749	1.0
225.11299	36.2
226.11667	1.6
235.08223	2.1
243.12349	7.9
253.09241	1.7
255.23274	62.4
256.23621	4.5
263.07956	0.8
291.19635	5.8
292.20041	0.7
305.08481	1.0
309.20697	2.1
318.01538	0.7
348.22443	0.6
359.93002	0.7
379.12344	2.8
391.39487	0.6
397.13403	11.5
398.13834	0.8
415.14569	3.5
605.24652	2.5
623.25555	1.2
635.36725	0.9
653.38184	1.8
746.65588	0.7
835.46802	1.3
861.48303	11.6
862.48846	2.6
879.49530	100.0
880.49548	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	877.4793
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98812	0.8
65.15221	0.5
69.03439	2.7
70.76804	1.6
71.01377	14.5
71.05003	1.9
72.01755	0.7
72.99299	1.2
73.02940	2.2
73.60265	0.6
74.35033	0.5
81.03468	0.8
83.01363	2.1
85.02956	3.7
87.00858	2.3
89.02432	10.0
92.17392	0.5
95.01353	1.1
97.02934	2.2
99.00867	1.2
101.02435	9.8
101.99229	0.6
111.00931	0.7
111.04496	1.3
113.02453	3.9
119.03462	1.6
123.08134	1.3
125.02420	2.6
125.09699	2.1
143.40512	0.6
151.11234	1.4
153.12796	1.0
161.04497	1.8
161.09682	2.5
169.88573	0.6
171.10231	1.0
179.05595	0.6
179.10727	4.2
197.11803	57.6
198.12122	2.2
205.08681	1.2
217.00510	0.6
221.06618	2.1
223.09705	3.3
235.08083	1.0
241.10799	3.1
255.23256	33.0
256.23608	2.4
286.34924	0.6
293.21225	1.5
397.13382	3.2
415.14325	1.3
511.17044	0.7
639.24609	1.1
642.96735	0.7
859.46930	1.5
877.47900	100.0
878.48291	18.4
878.61749	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	873.4771
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98816	33.1
71.01407	15.8
71.62244	21.9
78.95918	11.5
88.37132	12.5
96.96042	26.2
102.18084	10.9
115.56550	11.3
116.92735	12.5
119.97375	10.9
131.04597	15.1
155.67026	13.4
191.05573	17.9
197.11676	17.7
253.09259	36.2
291.19620	30.1
309.20706	93.4
311.22318	24.3
343.47156	12.6
393.35516	11.9
403.12338	12.4
442.28873	13.7
461.05042	13.7
467.73270	13.6
873.47046	100.0
874.47778	20.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	877.4794
Annotation	Unknow
Peak:m/z	Relative Intensity
61.56664	0.3
61.98835	0.4
67.01918	0.4
69.03455	3.6
70.94952	0.7
71.01381	13.2
71.05018	0.8
72.68649	0.3
72.99302	1.0
73.02940	2.0
75.00880	0.4
81.03455	0.8
83.01374	1.4
83.05027	0.4
85.02943	3.4
87.00867	2.1
87.81351	0.3
89.02437	9.3
89.64472	0.3
92.41869	0.3
93.03419	0.4
95.01366	0.9
97.02953	1.7
97.06583	0.6
99.00880	1.2
101.02440	8.0
109.02918	0.5
111.04493	0.3
113.02450	3.6
119.03503	2.1
123.08157	1.2
125.02442	1.9
125.09719	1.7
126.52585	0.3
132.60590	0.3
137.09705	0.4
143.03476	1.0
151.11288	2.9
153.12839	0.8
161.04582	0.8
161.09705	2.4
179.05530	0.6
179.10780	4.8
197.11815	32.9
198.12152	1.1
209.11913	0.3
221.06662	1.4
223.09720	1.0
235.08246	0.7
241.10829	1.9
253.09125	0.3
255.23271	44.0
256.23599	2.6
353.60977	0.3
379.11844	0.3
397.13403	2.2
859.47333	0.4
877.47937	100.0
878.48273	18.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	871.4609
Annotation	Unknow
Peak:m/z	Relative Intensity
60.60758	6.0
61.29991	7.1
61.98822	15.9
71.01382	20.7
71.62785	8.5
79.34532	6.3
80.96519	8.6
82.32603	6.9
89.02461	8.5
89.86049	5.8
96.96028	12.6
101.02429	6.9
125.61614	6.8
125.69610	6.4
130.60489	6.6
145.35168	7.3
146.20821	6.9
151.11372	8.1
159.73199	6.5
169.12337	32.3
197.11688	8.3
253.09171	8.9
269.27267	7.6
277.21869	6.9
289.18042	11.9
291.19659	12.0
293.21298	8.2
307.19171	12.4
309.20706	15.4
460.22180	6.7
871.46478	100.0
872.46423	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	871.4607
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98840	54.0
70.87588	15.3
70.87934	9.9
71.01376	15.0
96.47553	8.1
96.96007	17.3
116.92886	9.5
161.04498	12.5
169.12346	15.7
191.05571	16.7
194.93671	9.3
197.11882	13.5
209.11801	9.4
250.77043	8.9
253.09291	22.4
287.16507	12.1
289.18011	23.8
291.19769	11.0
293.21222	37.7
305.17487	18.0
307.19104	34.6
309.20865	42.5
378.25549	10.6
384.64001	8.3
388.68350	8.7
513.06134	8.8
871.46094	100.0
872.46588	27.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	871.4088
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98827	25.8
71.01001	5.3
71.01379	77.3
71.51301	6.4
73.02934	5.8
79.95717	4.2
82.95413	35.8
83.05012	5.0
84.95126	9.8
85.02916	7.0
89.02440	11.5
92.36496	3.7
96.96008	69.6
97.02943	10.4
97.06597	4.7
98.95580	6.0
99.00871	11.9
101.02423	16.2
102.05563	6.9
109.06571	23.0
113.02443	7.7
113.03539	7.2
114.01977	6.3
116.92854	10.9
123.04490	5.8
123.08184	4.8
125.02449	11.8
125.09700	18.2
126.09898	3.4
128.03479	8.0
131.04582	10.8
135.04507	4.8
136.05206	4.4
137.02455	7.2
146.04536	13.1
161.04639	4.3
163.11253	15.2
165.01930	12.7
169.12308	3.7
171.10266	34.2
179.03409	3.2
181.12331	25.0
183.95070	3.3
187.09727	8.6
191.05551	8.4
197.11823	16.6
198.12134	5.3
199.09651	8.9
199.13367	22.9
201.11320	4.5
205.08574	4.1
207.10258	66.3
208.10689	5.0
209.11830	45.1
210.12151	6.9
211.13315	7.6
221.11659	4.2
223.09723	5.2
225.09186	6.9
225.11304	100.0
227.12747	6.3
231.15927	4.8
235.08130	5.3
243.12329	30.4
253.09247	21.1
288.90717	3.6
291.19522	10.2
292.19907	5.1
307.18793	3.9
309.20786	11.9
310.21005	8.5
317.15802	4.0
326.20337	5.2
341.23318	17.1
342.23615	9.3
360.09415	4.2
423.18613	4.6
461.20224	19.9
479.21222	22.8
511.24283	4.4
615.29346	3.9
633.30792	7.2
661.31030	9.3
665.33887	9.1
669.31921	10.8
687.32458	14.6
688.32422	4.7
719.35516	4.6
747.81512	3.7
871.48981	17.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	869.3807
Annotation	Unknow
Peak:m/z	Relative Intensity
60.99297	0.6
67.01894	0.7
69.03453	0.8
71.01382	32.7
71.61569	0.6
72.99310	0.6
73.02944	12.0
74.08598	0.6
75.55030	0.6
76.42757	0.5
83.01384	5.4
85.02950	19.9
87.00864	2.7
89.02439	2.3
93.03454	5.6
95.01393	1.8
96.95992	4.0
97.02932	1.4
99.00872	5.5
101.02440	29.1
105.94503	0.5
109.02931	1.4
111.04545	1.3
111.23324	0.6
113.02453	13.8
115.03899	0.7
125.02457	1.6
127.03995	1.3
129.01921	0.8
133.02963	1.4
134.03668	0.6
135.04526	4.9
137.02402	1.4
143.03493	2.5
159.03021	3.6
161.02422	1.6
161.04561	19.6
161.05923	1.1
173.04514	7.1
175.03964	0.6
177.01945	0.7
179.03488	3.4
191.05606	26.0
192.05937	1.9
233.06616	2.0
242.05656	0.7
243.06659	0.6
269.10300	38.2
270.10580	2.2
271.09702	1.3
289.11865	0.7
311.11346	56.3
312.11661	3.0
339.05048	0.8
340.05530	1.0
351.21732	100.0
352.21997	8.4
353.08820	2.0
355.10281	2.6
370.89551	0.7
377.66769	0.6
415.17780	1.8
435.32739	0.6
449.14200	0.8
483.25775	0.8
513.27460	0.8
515.11292	1.6
533.13019	1.5
557.11279	1.2
677.15204	2.4
707.18396	4.5
869.20782	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	869.4449
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98819	100.0
71.01375	22.5
96.96006	34.5
98.19853	41.5
142.69492	16.0
202.55602	18.0
209.11765	25.5
233.73236	16.5
268.01147	18.3
275.60446	16.4
277.21475	18.4
289.18137	29.4
291.19702	19.7
305.17429	18.4
307.19168	24.9
326.08206	17.5
426.92175	17.0
657.73346	18.2
869.44604	55.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	868.5061
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98826	100.0
67.11231	0.1
96.96020	0.2
98.19827	0.2
171.10344	0.2
222.14612	0.1
229.53371	0.1
255.23412	0.3
293.21194	0.2
294.21649	0.3
367.99454	0.1
725.99878	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	869.2864
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01357	0.5
74.96499	0.4
79.95751	0.9
85.02932	0.6
89.50660	0.4
91.01907	0.5
93.03466	1.5
95.05026	1.0
96.95996	4.1
98.95601	0.5
103.05535	0.4
106.93841	0.3
108.02160	0.8
109.02951	16.8
110.03249	0.5
117.03442	0.6
119.05048	0.8
121.02921	0.8
123.03613	0.5
123.04515	9.9
125.02409	0.4
133.02950	3.1
135.04504	0.5
145.02924	1.0
146.04602	1.0
147.04485	2.1
149.02458	0.6
150.03227	0.8
151.04004	5.1
159.04466	1.2
161.02428	5.5
163.04001	0.5
173.04573	0.6
175.03941	0.4
176.01118	0.9
177.01918	19.6
178.02223	0.6
187.04008	1.4
189.01920	40.3
190.02660	8.1
191.03474	10.3
191.05562	2.3
201.01938	0.4
203.03520	3.7
205.04875	0.4
209.11797	0.5
216.00621	7.0
217.01404	34.0
218.02023	2.7
219.02966	11.8
220.03252	0.5
231.02963	11.3
232.03577	1.1
233.04573	0.9
239.06691	2.3
239.57010	0.9
240.06451	0.5
245.08104	0.5
281.04593	0.7
289.07123	1.5
297.07626	0.8
323.05594	1.7
341.06631	73.6
342.06967	5.6
351.01791	0.5
399.18460	1.6
400.18805	0.4
407.67184	0.4
411.81601	0.4
415.17984	0.9
416.18491	0.9
417.19473	7.5
418.19699	0.6
449.14285	0.4
451.10306	100.0
452.10654	12.3
467.95691	0.4
710.48535	0.4
780.82806	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	867.5152
Annotation	Unknow
Peak:m/z	Relative Intensity
61.25674	0.1
69.03446	0.5
69.34441	0.6
71.01384	0.2
73.02931	0.3
79.01905	0.1
79.95735	3.0
80.96523	0.2
81.03468	0.1
83.05026	0.2
85.02941	0.5
87.00867	0.2
93.03445	0.8
95.01347	0.1
95.94690	0.1
95.95222	1.8
95.95795	0.1
96.96008	2.7
97.02960	0.4
98.20615	0.2
107.01375	0.7
108.02161	0.1
109.02950	0.9
111.04484	0.1
121.02943	0.2
123.00879	0.2
123.04482	0.3
125.02435	0.8
127.03989	0.1
133.02936	0.3
135.00879	2.6
135.04510	0.7
135.92841	0.1
137.02458	0.2
141.95757	0.2
145.02927	0.1
147.04475	0.1
151.00334	0.1
151.04034	0.2
155.03532	0.2
159.04414	0.1
161.02428	0.7
162.02925	0.1
166.02715	0.2
167.00266	0.2
167.03485	3.8
168.03801	0.1
171.85838	0.1
173.04552	0.6
173.06903	0.1
177.01927	0.6
179.03482	0.4
187.04044	0.1
189.01939	1.3
190.02721	0.2
191.03612	0.3
191.05603	3.6
191.07364	0.2
192.05931	0.2
197.14682	0.1
203.03749	0.9
204.04144	0.1
205.05171	0.1
216.00598	0.2
217.01416	1.0
218.01860	0.1
219.02930	0.4
221.05974	0.1
222.06715	0.1
223.07687	0.2
229.01398	0.3
231.02931	0.3
235.06430	0.6
237.05632	0.1
239.07028	0.2
243.03085	0.1
249.05588	0.2
250.06142	0.1
251.03143	0.1
251.07144	0.3
265.04904	0.1
266.05722	0.1
267.06586	0.5
276.03717	0.1
277.04962	0.2
286.24420	0.1
293.04568	0.3
295.06082	0.7
296.06616	0.1
311.05597	0.2
321.04031	0.7
337.03308	0.1
339.05045	3.4
340.05237	0.4
341.06668	2.2
341.14099	1.3
342.07022	0.2
342.14499	0.1
353.08752	0.3
355.15808	0.4
369.17450	0.3
371.09796	0.2
385.17007	0.1
399.43915	0.1
413.16269	0.2
414.16650	0.1
415.17914	100.0
416.18243	8.8
417.17877	0.2
449.14389	0.1
451.10291	2.5
451.32617	0.8
452.10690	0.3
452.33359	0.1
481.17325	0.1
495.09229	0.3
513.10321	2.1
514.10583	0.4
675.13428	2.3
676.13519	0.6
705.16119	0.1
867.17896	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	867.4949
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98838	2.5
69.03458	1.3
70.51276	0.7
70.51606	0.9
71.01379	16.3
72.99292	1.4
73.02591	0.5
73.02930	2.6
78.95913	1.4
80.96497	0.5
81.03447	0.9
83.01385	1.8
85.02949	4.9
87.00878	4.5
89.02439	14.8
91.04021	0.6
95.01366	1.3
97.02962	3.1
99.00860	1.0
101.02444	13.1
110.50204	0.5
113.02431	8.1
119.03497	4.7
125.02435	7.6
125.09727	1.3
127.11318	2.3
131.03459	0.9
134.48387	0.5
139.03957	0.8
141.01903	0.6
142.02655	0.6
143.03502	3.2
151.03912	0.5
152.99625	0.5
153.09233	0.6
161.04533	5.0
167.03424	0.8
171.10254	100.0
172.10588	3.2
179.05582	3.3
195.13995	0.5
196.93358	0.4
199.06064	0.7
211.13391	0.5
217.07146	1.0
221.06627	1.1
221.13489	0.5
226.91583	0.5
229.14674	0.5
235.08241	6.2
253.09230	1.4
255.23268	69.4
256.23566	4.4
259.08209	1.5
269.06534	0.5
269.24854	1.1
287.07709	2.9
293.21118	1.4
295.22702	2.5
305.08731	2.8
323.09827	1.4
361.11032	0.6
368.14508	0.5
379.12393	21.7
380.12711	1.2
397.13470	43.5
398.13861	3.2
411.08167	0.5
415.14508	6.8
543.31421	0.6
551.23413	4.6
569.24219	4.1
635.36426	5.6
636.36365	1.0
653.37476	6.7
654.37494	0.9
721.46667	0.7
722.46716	1.1
742.51471	0.6
793.54144	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	867.2894
Annotation	Unknow
Peak:m/z	Relative Intensity
65.18279	0.1
71.62245	0.2
73.02962	0.2
79.64349	0.1
79.95729	2.7
80.96497	0.2
85.02931	0.6
89.37752	0.1
93.03461	0.8
95.05533	0.1
95.95221	2.1
96.96003	2.1
108.54971	0.1
109.02937	2.1
109.96801	0.2
111.04506	0.3
121.02955	0.3
123.04526	1.3
125.02441	0.4
133.02928	0.3
135.00865	0.6
135.04546	0.7
137.02486	0.2
145.02904	0.2
147.04449	0.2
151.03970	0.6
155.03439	0.2
159.04478	0.2
161.02452	1.2
167.03441	0.7
173.04546	0.7
175.03906	0.2
177.01907	2.6
178.02208	0.2
179.03488	0.5
182.51149	0.1
183.40172	0.2
185.02327	0.2
189.00363	0.1
189.01917	4.3
190.02635	1.0
191.03523	1.1
191.05595	4.3
203.03690	1.1
203.07039	0.2
216.00560	0.7
217.01381	3.9
218.01897	0.4
219.03020	1.3
223.07646	0.2
231.03011	1.0
232.03392	0.2
235.06393	0.4
239.07007	0.2
249.05618	0.2
251.07176	0.3
267.06601	0.5
277.05054	0.2
289.07214	0.3
293.04587	0.3
295.06177	0.8
321.04062	0.6
339.05048	4.0
340.05353	0.3
341.06616	8.9
341.13818	1.1
342.07071	0.8
353.08762	0.4
355.15771	0.2
356.16440	0.2
365.14624	0.2
385.05716	0.3
415.17908	100.0
416.18243	8.9
417.17740	0.4
443.13052	0.2
451.10300	10.3
452.10696	1.7
453.10904	0.3
481.17496	0.2
495.09155	0.5
513.10315	4.3
514.10468	0.4
675.13184	2.1
676.13495	0.3
750.48279	0.2
867.24573	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	866.4384
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98825	100.0
62.98532	0.2
69.88655	0.3
71.01385	0.4
77.18578	0.1
79.95727	0.2
83.01371	0.1
85.02930	0.1
92.92812	0.1
93.03444	0.1
96.96004	1.9
96.96952	0.1
98.95628	0.1
123.90977	0.1
125.02469	0.2
150.34566	0.1
151.04028	0.1
171.10370	0.2
191.05617	0.2
207.10364	0.2
209.11893	0.2
224.04196	0.1
225.11333	0.2
226.81306	0.1
235.08374	0.1
237.11186	0.1
257.02069	0.1
270.90411	0.1
288.55878	0.1
323.18604	0.1
325.20319	0.1
327.24771	0.1
399.01489	0.1
450.15948	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	867.2706
Annotation	Unknow
Peak:m/z	Relative Intensity
60.99295	3.9
61.98814	2.2
63.02395	0.6
65.00320	6.1
67.01889	9.7
69.03439	2.4
71.01379	6.7
71.61855	0.5
71.62328	0.7
72.99326	0.6
73.02947	0.8
75.00886	0.6
75.18826	0.5
79.95720	0.6
81.03461	2.8
83.01372	3.2
83.05026	2.1
85.02940	3.0
87.00871	14.6
88.04007	0.7
89.02449	1.4
93.03451	72.4
94.03767	1.0
95.01364	0.6
96.96000	11.7
97.02957	0.7
99.00862	1.9
99.04511	1.6
101.02441	1.7
102.05605	1.8
105.03435	1.0
107.01383	8.2
109.02951	1.8
111.04514	8.9
113.02458	2.7
121.02929	1.0
123.04513	0.6
125.02451	2.8
127.04005	0.7
128.03543	1.5
129.01950	1.9
132.02202	0.7
133.02956	3.9
134.03717	4.9
135.04517	7.6
137.02432	2.0
143.03511	1.3
145.02962	1.0
145.06351	1.3
146.04613	3.9
149.02397	0.8
151.00354	24.4
151.04045	0.7
152.00697	1.2
155.03543	2.9
160.01628	0.8
161.02397	2.2
162.03204	1.4
169.06558	0.9
171.04488	1.4
171.10281	1.2
172.05261	0.6
173.04535	44.5
174.04845	1.0
175.03961	0.8
177.01909	6.8
178.02534	0.8
179.03497	2.8
183.08170	1.0
185.06029	0.7
187.07585	0.8
191.05586	16.2
191.67148	0.6
192.05865	1.1
201.11316	0.8
209.11827	2.7
211.07573	2.2
213.05534	4.2
225.11252	1.3
227.07158	0.6
227.12787	0.8
231.10234	3.8
240.04442	0.7
253.05009	0.9
255.06599	79.8
256.06927	5.6
257.08273	0.9
275.09177	6.1
297.07663	2.6
301.03552	0.7
308.09024	0.7
352.07971	0.7
362.05725	0.6
397.13513	0.8
399.18408	14.6
400.18848	1.3
417.11862	100.0
418.12222	8.5
449.14484	97.6
450.14774	9.5
564.97961	0.6
721.46570	0.7
817.39227	0.7
867.40210	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	865.198
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03435	0.7
69.27849	3.3
69.28271	3.5
72.99306	1.0
81.03463	2.1
83.01380	3.7
85.02948	1.8
89.03957	0.9
93.03456	2.9
95.01396	1.1
95.05026	1.3
96.95982	1.2
97.02946	2.2
98.20654	1.4
102.63210	0.8
105.03464	1.3
107.05049	1.3
109.02948	14.0
109.89804	0.7
111.04505	0.8
116.03494	0.7
117.03445	1.3
119.05023	0.9
121.02935	4.9
122.03706	1.0
123.00851	1.0
123.04527	9.0
125.02440	100.0
126.02781	3.1
127.30265	0.8
131.05008	1.5
133.02962	5.6
135.04518	3.2
137.02425	15.8
139.03976	1.5
146.03754	1.2
147.04539	1.5
149.02448	4.2
150.03215	1.3
151.04012	12.4
157.06595	0.8
159.04507	3.7
161.01083	1.6
161.02438	33.8
161.06078	3.0
162.03108	2.4
163.00378	3.2
163.03995	4.4
164.01169	6.0
165.01904	5.8
167.03511	1.8
171.04538	0.8
173.04561	2.6
173.05988	1.4
175.03999	14.0
177.01924	11.9
177.05603	1.3
179.03560	3.7
187.04025	6.1
188.04749	1.5
189.01927	1.6
189.05482	1.6
191.03551	2.1
191.05598	15.5
193.05005	1.8
199.03967	3.7
199.07588	0.7
201.01953	1.3
201.05556	1.3
202.02791	0.9
202.06393	0.8
203.03506	2.8
203.07120	4.4
205.01335	1.8
205.05066	2.9
211.04037	0.9
214.02687	1.5
215.03442	1.3
217.05038	6.6
219.02959	4.2
219.06805	0.8
225.05499	0.9
227.03455	2.4
227.07260	0.9
229.05035	2.8
231.02936	1.8
231.06572	0.9
237.05501	0.8
241.05063	1.8
243.02969	14.8
243.06670	1.6
244.03546	1.4
245.04512	11.8
245.08197	6.2
246.05038	1.0
247.06134	1.2
249.05804	0.8
253.04974	1.4
255.02983	6.8
256.03677	2.6
257.04568	1.4
261.03992	6.6
265.05014	1.2
267.02982	0.8
267.06818	0.9
269.04526	3.3
273.04031	2.9
275.05634	0.8
281.04587	2.6
283.02481	2.6
284.02997	0.9
285.04117	3.6
285.07013	0.8
286.04422	1.3
287.05597	27.4
288.05914	2.1
289.07156	21.0
290.07553	2.5
299.05643	5.4
315.08765	1.3
327.04962	1.2
329.06396	1.1
331.07996	1.0
337.03592	2.5
339.08725	2.2
341.06741	1.3
351.06870	0.9
367.10410	0.9
371.09711	3.5
381.09952	1.7
391.04602	1.2
395.07571	1.7
400.39603	0.7
405.06122	4.0
407.07675	21.6
408.08099	2.2
411.07123	1.6
412.07556	2.3
413.08658	9.5
423.06985	3.5
425.08752	13.3
449.08560	6.8
451.10156	8.8
452.10443	1.4
525.07611	1.2
543.09204	3.4
559.12646	1.5
561.10284	2.1
569.10840	1.5
575.12140	6.6
576.12073	1.0
577.13434	12.0
578.13861	2.2
587.11957	3.5
695.14075	7.5
713.14679	4.8
739.16687	2.3
865.20471	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	865.1977
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00322	0.6
65.03971	0.6
67.01853	0.4
67.16171	0.4
68.91703	0.3
70.14729	0.3
70.75502	0.8
70.75873	0.7
81.03460	1.2
83.01385	3.6
83.04961	0.3
88.13779	0.4
89.03975	0.6
93.03445	2.0
95.01372	0.8
95.05018	1.0
97.02954	2.5
105.03454	0.5
107.05029	1.5
107.40125	0.4
108.02169	0.9
109.02204	0.6
109.02944	10.6
116.62029	0.4
117.03483	0.7
119.04994	0.6
121.02932	2.5
122.03735	0.8
123.04523	7.3
124.04882	0.4
125.02438	100.0
126.02810	2.5
131.05038	1.7
132.02217	0.4
133.02945	5.3
135.04512	2.0
137.02434	14.0
138.02829	0.4
139.04019	1.6
145.02977	0.9
146.03720	0.4
147.04610	0.8
149.02406	3.8
149.06075	0.8
150.03192	1.3
151.02841	0.7
151.04005	10.1
151.05234	0.5
152.04376	0.4
155.05019	0.5
159.04492	2.6
160.01665	0.4
160.05112	0.4
161.02434	32.9
161.06065	2.0
162.03056	1.6
163.00366	3.1
163.03999	4.6
164.01115	5.3
165.01903	4.5
167.03468	1.1
173.02518	0.5
173.04570	0.7
173.06076	1.4
174.03209	1.0
175.03986	15.3
175.07600	0.8
176.01126	0.5
176.04414	0.6
177.01918	10.9
177.05585	1.3
178.02449	0.7
179.03511	2.2
185.06108	0.8
187.03970	4.4
188.04745	1.3
189.01888	2.2
189.05534	0.8
190.02612	0.4
191.03546	1.2
191.05627	2.3
193.05058	1.1
199.03972	4.1
200.04787	0.5
201.01923	0.4
201.05554	2.2
202.06148	0.4
203.03491	2.7
203.07166	3.4
205.01462	0.8
205.05037	4.4
211.04030	1.2
213.05527	1.3
214.02795	0.7
215.03467	1.5
217.01526	0.7
217.05029	7.0
219.02946	3.5
219.06511	0.7
221.08144	0.7
225.05547	1.1
227.03465	1.8
227.07089	0.9
228.04330	0.8
229.05006	3.0
231.02960	1.3
240.04411	0.8
241.05022	1.2
243.02957	16.2
243.06729	1.1
244.03322	1.7
245.04544	11.8
245.08176	5.1
247.06168	0.9
253.05045	1.1
255.02956	6.3
255.05937	0.4
255.06548	0.3
256.03760	2.6
257.04520	2.0
259.06079	0.5
261.04034	5.4
265.05161	0.7
269.04578	2.7
270.05127	0.4
271.06271	0.6
273.03952	1.8
281.04520	2.4
282.01688	0.8
283.02438	1.7
284.03049	0.4
285.04132	2.6
286.04434	0.9
287.05576	28.1
288.05841	2.0
289.07172	18.0
290.07489	1.5
293.04462	0.5
295.02548	0.6
295.06250	0.4
297.04156	0.6
297.07578	0.6
299.05563	4.3
300.06064	0.5
301.06873	0.5
311.05753	0.5
315.08899	1.0
327.04971	0.6
329.06738	1.0
331.08353	0.4
337.03412	0.5
337.07129	0.6
339.08603	1.4
341.06622	1.7
363.05109	0.6
365.06839	0.4
381.09882	1.0
383.07693	0.6
395.07623	0.8
405.06009	4.6
406.07022	0.5
407.07663	21.2
408.07907	1.7
411.07315	1.2
412.07596	1.1
413.08707	7.9
414.09146	0.7
417.06094	0.6
423.07156	4.8
425.08685	11.7
426.09625	0.9
435.07159	1.0
449.08765	6.1
450.08969	1.0
451.10300	7.6
452.10654	0.5
517.11420	0.8
525.08179	1.6
533.10767	1.3
543.09222	3.7
557.10516	0.5
559.11884	0.7
561.10059	1.9
569.10706	1.2
575.11841	7.6
576.12567	0.8
577.13446	10.7
578.13788	1.6
587.11938	3.6
669.15912	0.6
695.13922	7.0
696.14526	1.5
713.14941	4.3
714.15649	1.1
739.16644	2.4
865.19287	2.6
866.20154	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	865.1976
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01889	0.7
68.88756	0.5
69.50982	3.9
79.76173	0.6
81.03442	1.6
83.01377	3.6
83.05046	0.5
89.03947	0.9
93.03432	1.9
94.87469	0.6
95.01366	1.3
95.05028	1.0
97.02940	1.7
101.40959	0.5
105.52718	0.6
107.05022	1.3
109.02946	10.2
117.03494	0.9
121.02956	1.9
122.03760	0.6
123.04505	7.4
125.02438	100.0
126.02785	2.7
126.07632	0.5
131.05022	1.6
132.02138	0.8
133.02924	5.3
133.36652	0.5
135.04504	1.5
137.02431	12.4
139.03984	1.6
145.02942	0.7
147.04489	0.9
149.02420	4.3
150.03188	1.6
151.03983	10.0
153.01959	0.6
157.06540	0.7
159.04495	2.4
160.05293	0.8
161.02428	31.7
161.06068	2.3
162.03140	1.1
163.00368	2.2
163.04045	4.1
164.01152	5.8
165.01929	5.2
167.03493	1.5
173.05984	1.2
174.03218	0.9
175.03990	14.7
176.01192	1.0
176.04439	0.9
177.01930	10.8
177.03467	0.6
177.05550	1.8
178.02293	0.7
179.03522	2.2
183.04581	0.6
185.06133	0.8
187.04021	4.6
188.04771	1.8
189.01926	1.9
189.05722	0.7
191.03606	1.0
191.05583	2.8
193.05087	1.2
199.04010	2.9
199.07672	0.5
200.04700	0.5
201.01962	1.3
201.05573	1.9
202.06197	1.1
203.03476	3.5
203.07112	4.1
205.01395	1.6
205.05028	4.3
211.04089	1.2
214.02623	0.8
215.03529	0.8
217.01411	0.7
217.05008	7.5
219.02986	2.7
219.06430	0.6
221.08156	0.9
225.05559	1.1
227.03549	1.9
227.07039	0.6
229.05035	2.5
231.02966	1.3
241.04994	1.0
243.00414	0.8
243.02966	16.2
243.06627	1.3
244.03365	0.7
245.04526	10.0
245.08165	5.0
246.04977	0.8
247.06091	0.7
253.05109	0.8
255.02969	6.5
256.03632	2.1
257.04507	2.2
261.03912	5.2
265.04865	0.7
269.04520	2.3
271.06085	0.9
273.04022	2.0
281.04572	2.6
282.01669	0.8
283.02560	1.5
284.03036	0.7
285.04013	2.6
287.05566	27.7
288.06039	1.5
289.07202	17.7
289.09811	0.4
290.07462	1.4
297.04156	0.7
299.05652	4.1
303.05606	0.5
315.08774	1.1
327.05072	1.0
329.06433	0.6
331.07990	0.9
339.08798	2.0
341.06702	1.3
363.04642	0.6
381.09998	1.1
383.07599	0.8
395.07697	1.6
405.06088	3.6
407.07675	20.0
408.08212	1.8
411.07239	0.6
412.07568	1.0
413.08743	6.7
423.07104	4.5
425.08743	10.9
426.09003	1.1
435.07504	0.6
449.08670	6.8
451.10306	7.9
517.11420	0.8
525.08417	1.1
533.10785	2.0
543.09033	3.5
557.11121	0.6
559.12415	1.6
561.10388	2.1
569.10553	1.5
575.11896	6.7
576.12457	1.8
577.13470	11.2
578.14111	1.6
587.11810	4.0
695.13776	6.8
696.14459	1.4
713.14850	4.0
714.15070	0.9
739.16699	1.9
861.47040	0.6
865.19550	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	865.197
Annotation	Dolabriproanthocyanidin
Peak:m/z	Relative Intensity
63.82146	0.6
64.42966	0.6
69.31935	2.6
69.32360	2.8
72.70609	0.6
81.03442	2.2
83.01397	3.6
85.02941	0.7
89.03958	0.9
93.03461	2.6
95.01374	0.7
95.05020	0.9
97.02959	2.2
107.05032	1.0
108.02190	1.1
109.02942	11.9
110.03281	0.7
113.02332	0.6
113.27137	0.6
115.41959	0.7
117.03453	0.7
121.02954	4.5
122.03712	0.9
123.04520	7.9
124.01744	0.6
125.02434	100.0
126.02778	2.9
131.05016	1.1
133.02931	5.6
135.00815	0.7
135.04517	2.6
137.02435	16.0
138.16113	0.7
139.03998	1.5
143.05037	0.9
145.02841	0.9
147.04527	1.2
147.51939	0.7
149.02397	4.4
150.03185	0.8
151.03990	10.4
159.04527	2.4
161.02431	31.5
161.06073	2.0
162.02994	2.7
163.00359	2.9
163.04008	5.5
164.01137	6.2
165.01918	5.2
167.03500	0.9
173.04591	1.5
173.06030	1.5
174.03249	1.4
175.03967	13.7
176.01132	0.8
176.04364	1.1
177.01913	10.3
177.05592	1.2
178.02307	1.0
179.03490	2.4
187.03973	4.1
188.04665	2.4
189.01923	2.2
189.05569	1.5
191.03557	0.7
191.05605	4.5
192.05896	0.7
199.03972	3.2
200.04675	0.8
201.01930	0.9
201.05556	2.2
202.06168	0.6
203.03500	3.4
203.07108	4.0
204.04051	1.0
205.01411	1.2
205.04958	4.4
211.04033	1.0
213.05562	0.9
214.02777	1.2
215.03598	0.6
216.49168	0.6
217.05003	6.8
219.02892	3.7
221.08163	0.9
225.05554	1.0
227.03403	1.8
228.04285	0.9
229.01572	0.8
229.05038	3.1
231.02960	1.3
241.04979	1.2
243.02930	14.4
243.06648	1.8
244.03452	1.5
245.04544	9.6
245.08189	5.5
247.06088	1.3
253.05064	0.7
255.02957	6.2
255.06877	0.8
256.03711	2.8
257.04462	1.4
261.03979	5.9
267.03058	0.8
269.04608	3.9
273.04092	2.0
281.04425	3.2
282.01727	1.3
283.02426	2.1
284.02988	0.8
285.03848	3.5
287.05569	25.9
288.05875	1.4
289.07147	24.3
290.07556	2.7
291.07834	0.8
297.04343	0.7
297.07703	0.8
299.05493	5.5
300.06009	0.7
315.08475	1.0
322.81454	0.6
327.05338	1.0
329.06598	1.1
337.07349	0.8
339.08759	1.4
341.06845	1.2
371.09827	1.6
389.06873	0.8
395.07718	0.9
405.06070	4.0
407.07632	21.5
408.08069	2.3
411.07150	1.7
412.07458	1.6
413.08649	9.3
423.07062	4.7
424.07535	0.7
425.08685	11.1
426.09155	1.1
435.07150	1.5
449.08655	6.6
451.10379	6.6
452.10806	0.8
533.11023	1.4
543.09027	3.7
557.10583	0.8
559.12585	1.0
561.10419	1.8
569.10907	1.5
575.12030	6.3
577.13354	13.7
578.13940	1.8
587.12048	2.8
695.13867	7.5
696.14673	0.9
713.14697	3.5
714.16254	1.0
739.16785	2.4
822.16663	0.8
865.20221	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	863.5004
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98820	0.7
68.99788	0.3
69.03452	0.9
71.01379	16.6
72.01712	0.3
72.99300	1.3
73.02951	2.5
75.00880	0.3
80.02667	1.2
81.03461	2.0
83.01389	1.9
83.05024	4.7
84.02166	0.6
85.02946	4.4
86.00097	0.2
87.00872	3.9
87.04515	0.2
89.02444	13.1
91.04009	0.3
93.03454	0.3
95.01377	1.5
95.05014	0.7
97.02946	2.9
97.06586	0.2
99.00850	0.9
99.04531	0.2
101.02438	12.5
102.02769	0.4
103.04016	0.2
109.02966	0.4
109.06633	0.5
109.39731	0.2
111.00851	0.4
111.04519	0.4
111.08208	0.2
113.02451	6.9
115.04016	0.2
119.03493	3.2
121.02970	0.2
124.01643	0.2
125.02443	6.1
125.06063	0.4
127.03961	0.3
131.03497	0.6
133.05069	0.4
135.08133	0.6
137.02480	0.2
139.03954	0.6
141.01900	0.5
143.03499	2.3
145.05145	0.2
147.11832	0.3
149.04512	0.3
161.04558	3.5
163.04225	0.2
163.10022	0.3
163.11287	3.5
164.11617	0.2
165.12842	2.5
167.03496	0.7
169.05099	0.2
179.05600	3.2
181.05020	0.3
181.12346	0.5
185.04514	0.3
191.10753	0.8
199.06128	0.4
207.10223	1.0
208.10596	0.4
209.11812	100.0
210.12155	5.1
217.07166	0.8
221.06630	1.2
225.11264	0.3
227.12869	12.2
228.13191	0.5
229.69109	0.2
233.11627	0.2
235.05992	0.4
235.08209	4.8
236.08485	0.3
245.06660	0.4
251.13058	0.4
253.09286	0.7
255.23276	57.7
256.23602	4.5
259.08176	0.7
263.07675	0.5
269.24792	0.7
287.07697	1.6
297.24561	0.4
305.08762	2.5
323.09729	1.3
328.07312	0.2
361.11322	0.2
379.12405	9.1
380.12842	0.6
397.13467	42.1
398.13800	3.0
415.14566	8.3
416.14688	0.6
589.24878	0.8
607.25610	1.0
635.36237	0.7
653.37463	2.1
654.37964	0.4
863.49695	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	863.5005
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98834	1.2
62.25161	0.2
69.03449	1.2
70.22654	0.2
71.01378	15.7
71.19555	0.4
72.01737	0.2
72.99306	1.5
73.02948	2.5
74.62848	0.2
75.00855	0.3
80.02676	1.1
81.03448	2.0
82.07449	0.2
83.01373	1.8
83.05022	4.3
84.02168	0.8
85.02949	4.0
87.00874	3.5
89.02438	13.8
91.04014	0.2
94.47794	0.2
95.01379	1.3
95.05020	0.7
96.72709	0.2
97.02934	2.8
99.00885	0.9
99.04477	0.3
101.02438	12.1
102.02785	0.3
109.06562	0.3
111.00878	0.4
111.04521	0.6
113.02443	7.3
114.02739	0.2
115.03973	0.3
119.03486	3.4
119.04297	0.3
123.00822	0.2
124.01709	0.2
125.02446	5.2
125.06078	0.3
131.03503	0.8
131.16536	0.2
133.05061	0.4
135.08154	0.3
138.33905	0.2
139.04037	0.6
141.01949	0.3
143.03505	2.6
147.11824	0.2
149.04581	0.5
152.61554	0.2
161.04552	2.6
163.11279	3.6
163.12540	0.4
165.12842	2.4
167.03455	0.4
179.05568	3.4
181.05051	0.2
181.12349	0.6
185.04504	0.4
190.11626	0.2
191.10789	1.0
199.06140	0.5
199.13422	0.2
203.05708	0.3
209.11813	100.0
210.12140	4.5
217.07169	0.9
221.06670	1.2
227.12865	13.3
228.13126	0.5
235.08217	6.1
245.06619	0.4
251.12994	0.4
253.09279	0.9
255.23279	54.5
256.23633	3.7
259.08203	0.6
263.07666	0.6
269.24942	0.5
277.09265	0.2
279.23291	0.2
287.07678	1.9
297.24203	0.3
305.08801	2.0
323.09872	1.0
361.11359	0.3
379.12405	9.9
380.12677	0.8
397.13464	42.3
398.13837	2.8
415.09006	0.4
415.14563	7.5
416.14908	0.4
424.04315	0.2
543.31042	0.2
589.25159	0.9
607.25977	1.1
635.36572	0.8
653.37372	2.0
863.50061	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	863.4998
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03445	0.9
71.01379	14.7
72.99298	1.3
73.02949	2.4
77.45037	0.4
80.02679	0.9
80.96532	0.4
81.03458	1.8
83.01385	1.7
83.05019	4.9
84.02118	1.1
85.02953	3.3
87.00874	3.7
89.02443	11.9
91.04023	0.6
93.03467	0.5
95.01368	1.0
95.05048	0.7
96.86912	0.4
97.02951	2.5
98.19869	1.3
99.00863	1.0
101.02439	11.9
102.02757	0.4
109.02969	0.4
111.04476	0.8
113.02442	6.4
119.03502	3.6
123.00816	0.4
125.02438	6.6
131.03496	0.4
131.74590	0.4
135.08119	0.6
141.01729	1.7
143.03513	3.1
146.06860	0.4
161.04547	4.1
163.11281	2.9
165.12866	2.2
166.56456	0.4
167.03413	0.4
179.05606	4.6
181.12314	0.5
182.64532	0.4
191.10806	0.9
199.13403	0.6
204.31464	0.4
209.11809	100.0
210.12129	4.7
217.07126	1.2
221.06647	1.4
225.11185	0.9
227.12880	18.8
228.13206	0.9
235.08199	5.4
245.06638	0.6
251.12732	0.9
253.09265	0.7
255.23277	51.1
256.23627	3.2
259.08154	0.6
263.07559	0.5
269.24814	0.6
287.07840	1.9
305.08832	2.4
323.09839	1.5
379.12415	9.3
393.04501	0.4
397.13480	39.5
398.13858	2.8
415.14539	8.2
416.14813	0.6
505.50067	0.4
589.24933	1.0
607.26062	1.6
628.49530	0.5
635.36401	0.5
653.37274	1.9
863.49835	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	863.182
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00307	1.3
69.48502	4.6
69.48927	2.8
81.03442	2.9
81.54680	1.0
83.01387	8.8
89.71432	0.8
93.03452	3.6
95.01361	1.6
95.05042	1.9
97.02934	5.1
107.05034	1.1
108.02185	1.8
109.02953	27.6
121.02927	7.8
121.06561	1.5
122.03759	1.4
123.04510	15.2
125.02438	68.7
126.02789	1.7
133.02969	6.1
135.00865	2.0
135.04486	2.7
137.02429	35.0
139.03996	3.7
145.02916	1.9
146.03700	1.8
147.00859	2.0
147.04483	4.3
148.01611	1.5
149.02429	23.2
150.02921	1.0
151.03987	13.6
153.01889	1.1
159.04478	3.7
161.01091	2.1
161.02429	40.8
161.06070	6.2
162.03075	2.4
163.00360	14.3
163.03944	2.9
164.01166	7.2
165.01897	5.5
167.03528	2.3
167.04808	1.5
171.04465	3.4
173.06020	1.5
174.03140	2.4
175.03984	14.7
176.01122	3.8
177.01917	11.1
177.05536	1.9
179.03476	5.4
185.06038	3.3
187.03981	8.3
188.04694	4.4
189.01857	1.6
189.05481	5.3
191.03499	2.1
193.04996	1.0
197.06071	1.4
199.03990	7.4
201.01892	4.3
201.05479	3.4
202.06123	1.7
203.03436	2.8
203.07103	12.6
205.01361	3.4
205.05067	7.4
211.03990	2.1
212.04648	2.8
213.05527	4.9
214.02628	1.0
215.03465	4.9
217.01694	1.1
217.05040	6.3
221.08153	2.2
225.05533	1.4
227.03415	3.7
227.07050	2.1
228.04128	1.9
229.05032	4.7
231.02991	2.5
231.06519	1.1
239.03535	1.3
241.05099	6.7
242.02094	1.5
243.02998	11.7
244.03526	1.5
245.04486	5.9
245.08141	15.5
246.08435	1.1
247.06081	2.0
253.05064	1.0
254.05765	0.9
255.02966	10.3
256.03595	3.7
257.04480	8.4
267.02841	2.1
269.04550	1.9
271.06003	1.0
272.03290	1.7
273.03900	1.6
279.02945	1.1
281.04504	3.0
282.01694	1.4
283.02408	3.7
283.05975	2.8
284.03143	1.8
285.04028	50.7
286.04462	4.0
287.02414	1.2
287.05624	9.2
288.02640	1.5
289.07159	68.9
290.07477	4.7
293.04388	1.8
295.02332	1.3
297.04053	2.4
299.05548	22.8
300.05896	2.1
300.18085	1.1
301.03299	1.9
307.06204	5.8
309.03934	2.3
325.03473	1.3
329.06766	2.2
339.08649	1.5
349.06915	1.2
375.04874	2.9
393.06009	2.0
405.06119	1.6
407.07593	15.8
411.07175	100.0
412.07446	9.7
425.08740	3.7
433.09177	1.2
447.07251	5.2
451.10312	29.5
452.10587	2.2
500.79907	1.0
525.08124	1.1
531.09247	4.7
541.07727	4.2
559.08783	16.1
560.08954	1.9
567.09644	2.3
573.10297	22.0
574.10583	2.5
577.13196	2.1
585.09729	1.2
693.12323	12.6
694.12201	3.6
711.13367	23.2
712.14142	3.7
737.15540	1.3
834.20740	1.3
863.17548	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	863.1821
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00315	1.2
69.51854	4.9
69.52254	1.5
71.01366	0.8
81.03453	3.4
83.01378	8.8
84.01736	0.9
89.64278	0.7
93.03453	5.8
95.01407	1.6
95.05037	2.3
96.16071	0.8
97.02930	5.6
105.03453	2.6
107.04995	2.0
108.02148	2.1
109.02946	25.6
117.03419	1.8
119.01347	0.8
119.05017	4.9
121.02929	9.0
122.03728	1.2
123.04522	15.1
124.01652	1.3
125.02436	71.0
126.02731	1.4
131.05023	1.0
133.02933	9.8
135.00871	1.5
135.04509	3.5
137.02432	37.0
139.03979	3.0
143.04994	0.9
145.02945	1.7
146.03755	1.5
147.00868	2.2
147.04494	3.6
147.33134	0.9
149.02432	22.7
150.03125	1.8
151.03992	11.9
153.01967	1.8
159.04500	4.6
160.01634	1.6
161.02431	38.8
161.06035	5.1
162.03091	3.2
163.00366	14.8
163.03966	6.8
164.01125	6.8
165.01910	6.2
165.05554	1.3
167.03502	2.7
171.04448	2.6
173.02417	1.9
173.04523	2.6
173.06081	2.3
174.03181	2.6
175.03986	14.1
175.07614	2.1
176.01085	4.1
176.04274	0.9
177.01906	13.9
177.05467	1.0
178.02733	1.0
179.03465	6.7
183.04460	1.2
185.06026	2.8
187.03976	7.5
188.04767	5.3
189.01976	1.5
189.05522	5.5
190.02693	1.7
191.03477	2.5
191.05553	5.9
197.05974	1.0
198.03191	0.9
199.03978	7.2
199.07614	1.2
201.01871	4.7
201.05544	2.3
202.02672	1.6
202.06390	1.5
203.03435	3.2
203.07123	9.8
205.01344	3.4
205.05045	7.7
211.03995	2.4
212.04678	1.9
213.03735	0.8
213.05573	3.5
214.02838	1.2
215.03468	4.7
216.04082	1.3
217.01323	1.6
217.05019	7.3
219.02979	1.5
221.08139	2.7
227.03441	2.1
227.07051	2.4
228.04124	0.9
229.05048	4.1
230.05699	1.5
231.02910	2.2
239.03404	1.8
240.04305	1.4
241.05046	5.8
242.01994	1.1
243.02943	11.2
244.03627	1.1
245.04469	5.5
245.08145	13.9
247.06032	1.4
253.05087	1.8
255.03038	8.7
255.05588	1.2
255.06743	0.7
256.03748	4.2
257.04504	7.3
267.02979	1.9
269.04422	2.9
271.02557	1.0
272.03183	1.7
273.03842	1.0
281.04584	2.3
282.01535	0.9
283.02426	3.3
283.05960	2.1
284.03125	2.2
285.04016	52.7
286.04449	3.5
287.05576	8.2
288.02643	2.6
289.07147	82.6
290.07574	5.5
296.03076	0.9
297.04086	1.1
299.05563	25.4
300.06094	0.9
301.03610	2.4
305.04620	1.0
307.06030	5.8
309.03906	2.8
325.03500	0.9
329.06461	1.8
339.08762	1.7
349.07132	2.5
351.07291	1.3
367.08078	0.8
375.04889	2.1
393.06070	1.9
405.05988	2.8
407.07568	12.3
408.07962	1.3
411.07153	100.0
412.07565	10.4
415.04697	0.8
425.08716	3.6
447.07153	6.2
450.06119	1.2
451.10406	28.3
452.10718	3.2
461.08902	1.4
463.07300	1.0
531.09448	5.4
541.07178	4.0
555.09393	1.4
559.08820	16.0
560.09131	2.7
567.09369	2.4
573.01233	1.2
573.10254	21.3
574.10699	2.9
577.13000	1.2
693.12402	15.7
694.12994	2.8
711.13568	20.6
712.13849	4.4
863.17670	6.5
864.18250	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	861.4844
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98825	6.3
68.99545	4.0
69.03448	2.9
71.01376	21.3
71.05000	1.6
71.61781	1.1
72.99262	1.2
73.02932	3.1
81.03441	3.2
83.01392	3.3
83.04988	1.1
85.02942	5.8
87.00864	6.4
89.02439	13.5
95.01379	1.8
95.05072	1.0
96.95989	1.3
97.02953	12.1
97.06561	1.7
99.00878	24.8
101.02438	14.0
101.10108	1.3
109.06582	9.2
110.03738	1.6
112.98569	5.2
113.02457	7.3
113.03533	2.0
114.01933	1.0
116.92851	1.2
119.03500	2.6
123.08198	1.3
125.02438	8.4
125.09731	6.9
131.04608	4.7
135.08159	1.9
136.05275	2.3
141.01773	1.3
142.02696	2.8
143.03447	1.2
161.04561	4.1
161.09660	1.7
163.11276	13.4
179.05624	2.4
181.12331	16.0
189.09175	2.3
199.13394	2.0
207.10234	65.7
208.10580	3.1
209.11885	1.2
214.64772	1.1
225.11298	78.5
226.11604	3.8
235.08202	4.8
239.12729	1.1
243.12328	23.2
255.23265	80.8
256.23633	6.4
379.12299	4.3
397.13394	23.7
398.14029	1.7
415.14331	5.5
457.62939	1.0
605.15613	2.0
605.24463	17.6
606.24506	1.6
623.25317	8.2
653.37433	1.1
861.48444	100.0
862.48718	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	859.3601
Annotation	Unknow
Peak:m/z	Relative Intensity
60.99302	0.1
64.55540	0.1
65.09089	0.1
66.43036	0.1
67.01884	0.4
69.03447	0.1
71.01373	0.6
73.02953	0.1
73.34584	0.1
81.03471	0.2
83.05019	0.4
85.02945	5.6
86.03355	0.1
87.00864	1.3
93.03455	3.3
96.96003	0.2
98.19909	0.2
99.04525	0.2
109.02962	0.5
111.04494	0.9
117.03456	0.2
119.04996	0.9
125.02474	0.2
127.04002	1.5
137.02492	0.2
143.03482	0.2
145.02933	0.8
151.59328	0.1
155.03392	0.2
163.04002	1.2
171.02968	0.3
173.04527	1.8
191.05595	100.0
192.05930	3.1
192.54880	0.1
202.63190	0.1
208.03064	0.1
337.09256	29.0
338.09552	2.1
372.26074	0.1
379.50763	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	861.3393
Annotation	Unknow
Peak:m/z	Relative Intensity
60.01707	0.8
61.98813	1.8
62.25042	0.6
67.01890	1.1
68.99809	1.5
69.03437	2.5
69.37803	6.4
71.01378	40.1
72.99302	7.8
73.02927	3.0
75.00868	20.0
83.01383	1.8
83.04985	1.3
84.66853	1.0
85.02944	37.5
85.08233	0.6
87.00866	13.3
89.02447	12.1
91.03985	2.0
93.03443	1.8
95.01385	8.5
95.05008	0.8
96.96009	5.6
98.20673	1.6
99.00248	1.1
99.00877	14.6
99.04516	1.3
101.02470	3.4
103.00387	3.7
107.05009	1.4
109.02982	1.3
111.00840	1.1
112.01645	1.2
113.02441	47.1
113.06110	0.7
115.00329	2.0
116.75005	0.8
117.01917	2.8
119.03489	0.8
129.01898	3.4
131.03427	1.7
135.04471	2.9
137.02408	1.4
149.04530	1.3
157.01416	1.6
159.11739	0.9
161.02406	1.6
161.13344	25.5
162.13617	1.2
169.10133	0.7
175.02437	2.7
179.03537	1.0
185.19989	0.7
187.11255	15.6
191.05573	4.6
205.07164	8.1
205.12309	27.1
206.12614	1.1
207.05032	1.9
209.11754	1.1
213.09181	1.2
231.05113	1.1
231.10223	1.0
249.06129	12.1
267.07184	54.5
268.07321	1.3
273.81842	0.8
304.93179	0.8
393.19028	1.9
399.18405	27.4
400.18753	2.4
437.18323	3.4
481.17133	8.6
482.17731	1.2
499.17932	1.0
691.92999	0.8
861.33844	100.0
862.34131	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	857.4817
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98824	14.1
68.24210	5.2
91.41005	4.3
96.96010	25.3
99.92595	12.3
116.92850	100.0
117.01969	6.1
184.32335	4.9
191.05582	6.7
231.62431	4.9
253.09230	15.2
293.21115	27.6
309.20657	21.5
857.47406	17.8
858.48230	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	855.4142
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98525	1.7
61.98828	22.0
69.45747	11.0
71.01378	17.1
71.05014	2.4
73.02942	1.3
79.95737	1.6
82.95407	3.5
83.05016	4.0
85.02947	2.0
87.00871	2.2
89.02428	3.2
93.03433	2.4
95.05006	1.9
96.96014	17.1
97.02947	3.7
97.06557	2.6
99.00859	3.8
101.02441	5.5
109.06587	6.9
111.04549	1.3
113.02455	2.7
116.92834	2.8
119.03505	1.4
123.08157	1.7
125.06078	1.6
125.09728	3.1
132.60335	1.4
143.07176	1.6
145.05090	1.5
161.04521	1.8
163.11284	6.4
165.12894	2.5
171.10211	8.5
181.12303	5.4
184.80330	1.2
189.01801	1.7
191.05597	6.1
191.10730	2.1
194.84314	1.4
197.11867	10.1
199.13336	6.0
207.10274	20.0
208.10622	1.7
209.11815	100.0
210.12094	4.8
211.13339	5.0
225.11293	33.1
226.11806	2.1
227.12833	21.2
228.13101	2.0
235.08203	7.9
235.13307	1.8
236.62274	1.4
237.14957	3.2
243.12358	5.2
247.13347	2.7
253.09248	18.6
265.14514	2.7
279.19440	2.8
287.16315	1.7
305.17459	7.7
307.19235	1.9
323.18521	8.8
325.20139	17.7
326.20724	2.2
341.23224	6.0
343.21234	9.0
445.20587	4.9
461.20184	9.2
479.21301	1.7
503.33588	3.8
504.33417	2.0
603.12555	1.4
665.72906	1.7
751.38306	2.4
769.39935	7.0
787.41223	13.2
788.41071	3.7
811.47980	1.6
819.43805	6.7
855.43341	10.3
856.44757	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	855.4142
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98828	13.2
66.54001	1.7
67.95715	1.7
69.75673	7.9
71.01377	33.8
72.00925	2.0
73.02945	2.6
78.95875	2.2
79.95746	3.2
82.95418	21.1
83.01344	2.0
83.04999	3.3
84.02128	1.6
89.02435	3.8
95.05025	2.6
96.96008	41.2
96.96947	1.8
97.02949	1.9
101.02408	3.4
109.06548	5.8
112.29117	1.9
113.02395	2.7
113.03572	10.0
113.06071	5.3
114.01945	6.6
125.02416	2.1
125.09708	2.3
131.04610	32.9
137.13435	1.6
163.11255	6.4
169.55057	2.0
171.10255	10.0
171.97733	1.8
181.08633	2.0
191.05580	4.9
197.11751	5.7
198.11986	1.8
199.09747	11.9
201.11331	4.9
207.10211	17.9
209.11810	100.0
210.12090	6.9
211.13318	2.8
215.12775	2.0
225.11317	13.2
227.12854	24.9
235.08141	6.0
253.09236	16.9
254.09851	2.9
279.15817	3.6
289.18134	2.0
291.19507	3.2
308.19241	1.8
309.20639	6.9
310.21060	4.9
325.20111	4.8
326.20505	2.9
327.21545	3.5
339.19147	1.7
445.20700	3.2
452.10358	1.9
461.20282	5.0
609.29053	5.2
610.77185	2.0
627.30164	8.2
635.30780	4.5
645.30774	4.8
653.32196	4.2
659.34644	2.3
671.33356	9.7
672.33759	2.7
685.31561	3.9
830.14032	1.9
855.41156	15.9
856.41675	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	853.4948
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98826	15.4
66.90249	2.6
69.03449	5.8
71.01381	20.3
71.61395	2.2
73.02943	4.4
83.01393	7.0
83.05025	2.9
85.02956	5.8
87.00856	3.4
89.02426	10.4
95.05018	3.0
95.17265	2.4
96.96002	10.1
97.02934	11.6
97.06582	11.3
101.02421	17.8
109.06660	2.9
111.08147	20.3
113.02429	8.7
116.92876	4.2
116.97236	4.5
119.03490	2.8
119.08642	2.8
120.88352	2.2
123.04548	5.1
123.08173	4.4
125.09712	14.2
135.08168	3.0
137.09689	6.1
151.03839	2.3
151.11295	3.3
153.12817	3.0
159.96797	2.6
161.04544	5.1
163.11302	11.1
165.09206	2.5
165.12837	7.6
167.10713	5.3
169.12354	8.4
171.10258	14.0
179.05598	2.3
181.12346	6.1
185.11795	13.9
187.09511	2.2
191.14371	9.7
193.12141	3.1
195.13863	3.2
197.11810	98.9
198.12102	3.1
199.13368	5.6
207.10280	6.2
209.11810	33.7
211.11554	2.9
211.13359	16.3
223.13460	2.3
225.11264	3.0
227.12903	13.2
227.55089	2.3
235.08209	5.5
236.85722	2.2
237.11290	5.3
245.19077	23.6
247.20457	4.4
253.09247	47.0
263.20169	11.8
265.18152	3.1
271.17004	3.9
273.18518	3.8
289.18076	91.4
290.18411	6.8
291.19647	59.7
292.19888	4.4
293.21173	28.5
294.21570	4.1
307.15588	3.1
307.19131	65.0
308.19418	6.4
309.20703	100.0
310.20911	8.9
341.23361	25.1
352.99414	2.5
810.49817	2.5
853.49597	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	851.3581
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	0.2
61.98827	3.9
66.18253	0.1
68.99558	0.1
69.85143	0.1
70.20515	0.1
71.01364	0.5
71.16423	0.2
72.63276	0.1
78.95903	1.4
79.95732	3.7
84.78242	0.1
85.02948	0.2
89.02426	0.1
93.03453	0.2
96.96004	100.0
97.95962	0.2
101.02466	0.2
105.27691	0.1
109.02924	0.1
113.02370	0.1
125.02490	0.1
128.90204	0.1
133.02928	0.1
135.04529	0.2
137.02443	0.2
161.02464	0.2
171.10272	0.2
173.04526	0.2
179.03526	0.1
191.05600	1.0
207.10254	0.2
209.11826	0.5
220.79025	0.1
225.11307	0.1
227.12848	0.1
289.07214	0.1
313.09680	0.2
397.13492	0.2
479.58502	0.1
629.23779	0.1
691.26105	0.1
773.69470	0.1
807.41241	0.1
851.37927	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	850.4434
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	0.1
61.98827	100.0
62.98515	0.1
71.01379	0.3
79.95753	0.1
80.96518	0.1
96.96028	0.4
101.02357	0.1
120.13450	0.1
129.02808	0.1
171.10381	0.1
191.05687	0.2
193.75690	0.1
209.11874	0.5
210.12180	0.2
225.11340	0.1
227.12888	0.1
253.09300	0.1
279.35706	0.1
327.21921	0.1
655.78876	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	851.3346
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	43.3
60.99306	1.7
64.98499	0.4
67.01892	4.8
69.03458	1.6
69.40553	3.4
71.01380	11.8
72.44695	0.4
73.02943	1.6
75.00857	0.4
79.09238	0.4
79.95789	0.4
81.03465	2.2
83.00674	0.4
83.01389	0.6
83.05032	1.2
85.02939	5.0
87.00876	7.1
88.04023	0.7
89.02461	1.7
93.03455	32.1
94.03799	0.8
95.01369	0.6
96.96004	6.2
97.02975	1.0
99.00883	1.0
99.04546	0.5
101.02447	3.5
105.03504	0.6
108.02196	2.9
109.02958	1.5
111.00889	0.9
111.04515	4.6
113.02435	3.4
119.03493	0.6
121.02942	2.7
122.03731	1.4
123.00825	0.5
124.01659	8.8
125.02467	4.6
126.03233	1.8
127.04025	1.3
129.01967	0.7
132.02135	0.5
133.02966	4.5
134.03738	14.9
135.04521	100.0
136.04810	3.1
137.02452	3.5
139.04047	0.4
143.03577	0.5
146.05809	0.5
150.03214	5.4
151.04004	14.6
152.04337	0.4
155.01263	0.4
155.03548	0.8
159.02974	0.5
160.01678	1.4
161.02475	3.1
161.04553	1.9
161.05920	0.5
162.03275	1.0
163.03978	0.8
163.11302	0.7
167.03554	0.9
171.10306	1.6
173.04550	9.5
175.03987	0.5
177.01932	1.1
178.02728	0.8
179.03487	25.4
180.04221	2.3
181.05080	0.7
190.15399	0.4
191.05597	26.2
192.05946	0.9
194.02258	0.5
201.11377	0.9
207.10248	1.7
209.11821	5.4
214.40041	0.4
215.05676	0.6
225.11307	1.8
227.12878	0.7
231.10233	0.7
237.23080	0.4
243.12428	0.5
257.08206	5.5
275.09207	2.7
290.07910	1.5
306.07520	0.8
307.08182	9.9
308.08981	20.7
309.09338	1.5
315.18176	4.3
321.04355	0.4
323.07681	1.8
325.03479	0.5
351.07144	2.5
352.07968	54.4
353.08344	4.0
357.19080	1.4
379.12637	0.4
397.13223	1.9
410.70987	0.5
415.14725	0.5
449.14499	50.8
450.14789	5.9
450.92880	0.5
623.25305	0.5
659.21588	0.9
851.38831	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	849.4848
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01096	0.8
59.01378	13.2
61.98830	0.8
70.01052	1.3
70.01460	2.0
71.01379	12.7
72.99298	1.0
73.02935	2.0
75.00850	0.6
81.03446	0.6
83.01381	1.4
83.05030	0.7
85.02949	2.7
87.00869	2.3
89.02437	9.4
95.01363	1.0
95.05013	1.1
96.95955	0.6
97.02924	1.9
97.06591	3.9
99.00887	1.0
101.02432	9.4
102.83808	0.5
113.02430	4.1
119.03497	1.7
125.02435	2.4
125.03301	0.5
131.03502	0.6
139.44290	0.5
143.03508	1.2
151.11276	9.4
161.04539	1.0
169.12332	36.1
170.12613	0.9
179.05508	0.6
183.20097	0.6
195.10278	1.5
213.11356	4.1
221.06624	1.9
235.08064	1.2
253.09222	0.6
255.23270	38.3
256.23779	2.6
324.07019	0.5
397.13364	1.7
593.24725	1.2
611.25665	0.5
619.41687	0.6
717.43494	0.7
849.48462	100.0
850.48792	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	849.3909
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01366	3.3
61.98821	12.6
67.01846	0.8
69.64944	3.1
71.01372	3.5
73.02933	0.8
78.95906	1.8
79.95749	0.9
83.01363	0.8
83.04993	1.0
85.02925	2.3
87.00859	1.9
89.02437	2.1
91.01886	1.7
93.03460	3.6
95.01366	0.7
96.96003	15.1
101.02406	1.7
109.06617	0.6
110.98520	1.1
113.02438	1.0
119.01362	2.6
121.02953	2.5
123.04525	1.3
125.02425	2.0
130.19948	0.6
133.02936	1.1
135.04482	3.2
137.02397	1.6
137.25864	0.7
147.00912	3.2
148.01581	1.3
149.02435	7.7
150.03212	5.9
151.03979	1.8
152.01132	1.0
153.01881	1.3
161.02397	1.7
161.04469	0.7
163.03981	2.7
163.11240	0.9
164.04747	4.8
165.01874	1.6
165.05638	3.0
167.03474	0.7
171.10228	2.1
173.04541	1.1
175.00339	15.8
176.01138	20.0
177.01805	1.9
179.03456	0.9
188.47531	0.7
190.02699	55.5
191.03488	35.2
191.05511	5.7
192.03865	1.3
194.02133	2.2
201.11308	1.9
205.05028	41.0
206.05386	2.6
207.10112	1.2
208.03699	1.0
209.04573	3.2
209.11824	8.4
223.06209	3.2
223.09753	1.2
225.11264	1.8
227.12851	1.0
289.07034	0.8
319.22870	1.0
397.13495	2.1
415.14767	1.1
417.59155	0.7
481.28113	1.2
507.77103	0.8
672.31567	2.2
687.33759	100.0
688.34180	19.5
714.33990	0.8
813.35083	0.8
849.38837	20.5
850.39374	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	849.3384
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	1.3
61.98808	0.4
71.01376	2.7
71.62548	0.2
72.99284	0.6
73.02940	0.4
75.00865	1.1
79.95735	4.8
81.03447	0.2
83.01370	0.3
85.02952	2.7
87.00882	1.1
89.02425	0.8
93.03455	0.9
95.01384	0.5
95.95238	1.5
96.96007	4.8
99.00889	0.8
101.02402	0.4
103.00371	0.3
108.02122	0.3
109.02927	0.3
113.02430	2.7
114.02017	0.2
121.02937	0.2
125.02431	0.7
128.03513	0.3
129.01926	0.3
131.04678	0.2
133.02972	0.2
135.04491	0.6
137.02449	0.6
139.03979	0.3
141.95763	0.5
150.03207	0.3
151.00697	0.3
151.04065	0.2
161.02403	0.5
161.04472	0.2
161.06007	0.2
161.13356	1.5
165.05560	0.3
165.64899	0.2
171.10196	0.3
173.04477	0.3
177.01978	0.3
179.03439	0.3
187.11266	0.7
191.05586	2.5
195.86296	0.2
205.07042	0.4
205.12253	1.2
207.10213	0.2
209.11795	0.9
219.06902	0.6
225.11290	0.5
249.06061	0.6
267.07162	3.0
289.06903	0.4
301.03506	0.3
325.14954	1.4
339.16199	0.4
353.17880	0.4
399.18408	100.0
400.18741	10.6
401.18329	1.0
481.17090	0.5
641.26471	0.3
803.59558	0.2
849.33600	5.7
850.33972	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	849.2456
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01370	1.8
62.45436	0.2
64.62138	0.2
67.01881	0.6
69.03438	0.3
69.96566	0.2
71.01373	0.9
71.01730	0.2
73.02946	0.3
73.44226	0.2
79.95747	0.3
81.03451	0.4
83.05020	0.4
85.02953	7.2
86.29807	0.2
87.00861	2.5
90.32928	0.2
91.01911	0.2
93.03458	5.9
96.96029	1.2
97.02918	0.2
98.20753	0.4
99.00866	0.2
99.04494	0.4
106.17108	0.2
109.02932	1.3
111.04494	1.3
112.97169	0.2
113.02432	0.3
120.01229	0.3
121.02940	0.3
123.04556	0.2
124.01721	0.2
125.02437	0.4
127.04004	1.8
133.02892	0.2
135.04503	0.6
137.02431	1.7
151.03983	2.2
155.03455	0.4
161.02408	0.7
165.01843	0.2
167.16425	0.2
171.02997	0.5
172.05275	1.1
173.04559	3.8
179.03511	0.6
183.04466	0.4
187.04059	0.3
187.07631	7.8
188.08003	0.5
191.05600	100.0
192.05952	3.2
199.03955	1.1
200.04826	0.4
202.06413	0.3
211.07649	0.2
213.09196	1.4
215.07083	1.6
227.03400	1.2
228.04239	1.2
229.08640	0.7
229.22577	0.3
231.06555	0.2
231.10294	1.0
239.06798	0.5
255.06686	0.3
257.08173	13.7
258.08481	0.6
275.09286	1.7
281.06885	0.4
289.07248	0.3
333.13785	0.4
353.08878	0.4
397.17047	0.3
398.17300	0.3
399.18488	5.3
400.18500	0.3
405.11755	0.3
407.07813	0.5
431.13235	1.4
449.08749	0.9
449.14468	11.9
450.14954	1.4
866.28699	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	847.4874
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	1.0
61.98832	3.2
63.96234	1.5
69.02690	0.6
69.03453	0.8
71.01371	8.5
71.47638	0.9
73.02950	1.4
78.98584	6.4
79.95734	16.9
80.96510	80.6
81.03456	0.8
81.51054	0.6
82.96093	1.9
85.02955	3.0
87.00877	2.6
94.98080	16.9
96.96000	1.8
97.02949	2.4
101.02452	2.0
106.98100	3.6
108.35478	0.6
113.02377	0.6
115.42438	0.6
122.97589	4.3
125.02437	3.3
134.97598	4.1
136.99113	1.8
148.99115	7.3
152.98610	5.7
164.98615	13.3
206.99794	3.4
225.00708	18.4
226.01012	0.7
233.86919	0.7
255.23215	1.0
265.14703	0.7
265.81198	0.6
283.04968	0.9
339.12521	0.7
447.27948	0.7
537.27350	1.4
591.24451	1.4
711.37396	0.6
847.48615	100.0
848.48981	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	848.4274
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01370	0.2
60.99864	0.1
61.98825	100.0
62.98535	0.2
70.88661	0.2
70.89028	0.2
71.01394	0.3
88.98820	0.3
89.02441	0.2
96.96017	0.4
118.64172	0.1
121.45058	0.1
125.02435	0.1
133.99155	0.1
140.99695	0.1
162.75677	0.1
163.11288	0.1
174.43690	0.1
209.11876	0.4
210.12105	0.1
600.31476	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	847.3391
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	12.7
61.98809	2.5
65.82063	0.6
67.10831	0.6
67.96019	0.5
69.03463	1.1
71.01374	10.9
71.18929	0.6
72.99289	1.5
73.02943	6.2
77.77180	0.6
79.95688	0.7
83.01392	1.5
85.02956	5.7
86.00062	1.4
87.00877	8.4
87.04501	2.3
89.02434	4.2
93.03452	2.3
96.96008	5.5
99.00840	1.1
101.02455	5.5
103.03998	1.7
105.03461	0.8
107.81630	0.6
109.02953	1.3
113.02448	4.0
114.01982	0.7
115.03967	2.2
117.03452	1.6
119.03477	1.3
121.02988	0.6
123.04555	0.8
125.02427	3.2
131.03491	4.3
132.02162	9.3
133.02957	20.6
134.03745	19.5
135.04555	7.2
136.01599	0.9
137.02415	2.1
140.94110	0.7
143.03439	3.9
147.04494	2.7
148.05280	2.2
149.06097	4.0
151.03976	1.5
159.04527	0.8
160.01646	37.4
161.02431	49.2
162.02719	2.8
163.06133	1.1
173.04573	2.9
175.03990	36.3
176.04781	9.6
177.01881	3.6
177.05176	0.7
178.02684	1.5
179.03496	4.2
180.03809	0.6
191.05560	6.1
191.07112	12.2
192.04243	0.8
192.07523	1.0
193.05029	14.2
194.05360	0.7
195.01302	0.7
205.05182	0.6
205.07141	2.5
207.06596	1.3
209.11848	0.8
220.03815	2.0
235.06097	14.7
236.06261	1.0
269.92456	0.6
295.08188	6.9
296.08646	1.0
301.17950	0.9
319.19315	1.2
351.07236	3.4
369.08221	0.7
397.16638	1.0
399.18405	20.1
400.18814	2.0
449.14188	0.8
513.09967	0.8
589.90497	0.7
590.56842	0.7
627.29980	9.0
628.30591	1.3
785.33911	0.8
803.34918	100.0
804.35217	20.9
804.66412	0.7
847.43188	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	845.4532
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	4.5
61.98824	16.3
69.03471	0.9
70.33337	0.9
71.01386	4.8
71.61539	1.1
73.02923	0.9
75.00866	3.4
80.02689	1.6
81.03455	1.8
83.01399	0.9
83.05017	4.8
84.02155	1.0
85.02943	1.5
87.00875	2.0
88.98802	3.2
89.02447	2.9
95.05041	1.1
96.18134	1.0
96.95996	2.9
97.02936	1.2
97.06602	1.7
101.02435	2.8
109.06568	1.2
123.04488	1.5
125.09721	2.2
135.08171	1.0
136.54195	0.8
137.09709	0.9
161.04590	1.6
163.11293	5.8
165.12822	2.4
171.10262	1.9
181.12314	1.5
185.11815	1.8
191.10794	1.6
191.14430	1.4
197.11916	0.9
207.10188	3.4
209.11797	100.0
210.12108	4.9
211.13313	1.0
225.11299	2.1
227.12865	13.1
228.13199	0.8
235.08159	3.2
237.11212	1.2
245.19141	4.4
253.09267	9.7
263.20078	1.9
271.17139	1.4
289.18069	25.7
290.18436	1.2
307.19104	29.0
308.19507	2.2
445.20859	2.4
525.27142	1.2
637.31842	1.9
717.39081	1.3
735.39874	1.8
753.40875	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	847.3392
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	13.0
61.98831	0.9
62.38460	0.4
69.03453	1.0
69.60344	1.0
69.60766	1.9
71.01372	10.2
72.99307	1.1
73.02937	4.9
79.95754	0.6
81.71108	0.4
83.01378	1.3
85.02947	8.6
87.00880	4.9
87.04540	1.0
88.98789	0.5
89.02444	4.0
89.03960	1.8
93.03453	1.8
95.01383	1.0
96.96013	2.2
97.02962	0.8
98.19940	0.6
98.63044	0.4
99.00912	0.9
101.02430	5.5
103.03982	2.5
108.02175	0.8
109.02937	0.7
113.02439	6.2
115.04014	1.2
117.03440	3.0
119.03511	1.1
121.02929	1.1
122.03727	0.8
123.04533	0.8
123.67564	0.4
125.02461	1.4
127.04087	0.5
131.03514	2.5
132.02167	12.5
133.02969	5.5
134.03738	39.3
135.04584	4.4
137.02440	1.9
143.03517	2.9
145.05103	0.7
147.04514	1.0
149.02449	5.5
149.06093	4.6
150.03207	6.2
151.03943	1.4
160.01649	60.4
161.02435	20.3
161.04439	0.7
162.02753	0.6
163.03979	0.9
163.06087	0.8
164.04823	2.8
165.05568	5.0
173.04498	1.2
174.03189	1.4
175.03989	50.5
176.04453	3.0
178.02679	4.2
179.03506	2.7
179.07149	0.7
189.05499	0.7
190.02716	0.8
191.05574	3.1
191.07188	1.6
193.01282	1.0
193.05034	24.9
194.05380	1.3
195.06602	2.8
201.05606	1.4
202.02710	3.7
205.05214	0.6
205.07172	1.3
207.06523	0.8
208.03688	2.3
217.05008	6.7
223.06100	8.1
235.06079	1.1
259.06085	0.8
289.07220	0.5
295.08133	1.7
296.08371	0.5
301.18109	1.8
319.19150	1.8
348.73578	0.5
371.11011	0.7
390.11938	0.5
399.18362	2.0
419.13306	4.5
449.14282	0.8
499.14673	1.6
609.19629	0.3
609.29028	8.1
610.29669	1.1
627.30072	5.7
628.30475	1.0
698.57458	0.5
785.33942	0.7
803.34888	100.0
804.35199	20.1
847.43451	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	843.4506
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	20.7
61.98810	7.4
71.01373	18.8
78.95900	6.6
89.02444	17.9
98.20638	15.3
101.02428	17.6
113.02461	5.0
116.92941	7.3
125.02413	6.8
161.04462	6.4
171.10248	98.9
172.10675	6.5
179.05626	6.5
209.11797	9.0
253.09320	7.0
255.23264	81.1
256.23563	6.6
281.24850	8.2
305.25003	9.8
364.23605	5.1
379.12503	37.9
397.13437	70.5
398.13885	6.6
415.14432	8.0
460.91489	6.0
519.97528	5.6
551.23334	10.3
569.24622	8.2
635.36603	16.2
652.04657	5.8
653.37415	16.2
793.53931	7.8
807.47479	12.9
843.44836	100.0
844.45148	20.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	841.4243
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	78.2
61.98836	13.1
71.01379	73.8
71.62159	2.4
71.62552	1.9
72.99303	4.5
73.02943	13.8
74.30703	2.0
75.00842	4.8
78.63290	1.8
79.97502	1.8
80.96516	3.0
83.01360	4.2
85.02937	21.1
86.00062	2.2
87.00883	10.7
88.98774	5.2
89.02438	76.5
93.03452	3.6
95.01355	5.1
96.96001	15.6
97.02930	3.2
99.00857	3.7
101.02442	55.2
103.00342	6.9
109.02928	2.4
111.13716	2.8
113.02446	29.8
116.92811	8.3
117.01925	3.0
119.03507	28.8
125.02432	8.7
131.03444	8.9
133.02957	3.0
134.89482	2.2
135.04454	6.9
137.02400	4.0
143.03484	6.4
149.02406	2.3
149.04506	3.4
150.03168	2.5
151.03944	3.3
159.04480	2.3
161.02437	4.7
161.04543	14.5
171.08698	2.3
171.10236	7.7
173.04422	2.9
175.04005	2.3
179.05602	47.5
191.05603	24.2
197.11720	2.4
199.34883	2.5
201.11285	5.2
202.68390	2.1
209.11766	11.9
221.06619	16.1
225.11215	3.9
229.93431	2.3
236.24005	1.9
243.17889	2.4
244.53395	2.0
253.09184	5.3
301.03391	8.2
309.51126	2.0
325.20172	2.9
327.21735	4.0
331.04626	2.9
341.10919	4.7
370.25000	2.3
425.30481	3.2
455.31625	6.1
469.29507	39.6
470.29688	3.9
481.28888	2.5
487.30582	43.6
488.30777	6.3
499.30554	10.0
517.31647	20.4
529.31287	2.7
733.97211	2.5
787.41431	2.7
793.39130	3.3
811.41565	12.8
812.40698	3.0
841.42041	100.0
842.42682	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	839.4193
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	12.3
61.98823	64.5
68.32014	5.7
68.54396	4.8
71.01385	20.9
71.16089	5.5
71.16417	10.9
73.02921	5.8
73.27319	5.7
74.90852	4.6
78.95889	6.6
79.95775	5.3
80.96504	6.8
85.02962	8.8
86.94077	5.2
87.00845	5.8
88.79870	5.0
89.02453	7.0
93.03473	6.1
96.95997	67.0
98.95606	7.5
101.02431	12.7
109.02963	5.5
109.06575	7.2
116.92856	13.3
124.68521	5.2
125.02424	9.7
125.09698	5.7
129.53552	5.0
129.55124	6.7
135.04514	10.3
137.02444	9.9
161.02437	10.2
171.10255	27.9
177.02043	6.2
179.03493	9.6
191.05573	35.0
197.11859	15.9
201.11276	11.6
207.10298	12.7
209.11795	100.0
225.11377	16.8
225.53171	5.5
227.12868	19.7
235.08287	11.7
253.09258	23.6
287.16312	6.1
313.55185	5.2
325.20114	43.7
326.09537	6.1
341.23285	8.4
379.13779	6.3
400.61472	6.1
445.20724	11.6
457.39758	5.5
462.93848	5.6
839.42047	55.0
840.43066	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	839.4194
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	6.5
61.98827	10.2
64.19469	1.9
70.99343	4.1
71.01378	13.9
73.02903	2.3
81.16238	1.9
82.95380	2.9
83.05013	3.2
89.02437	2.2
95.05002	1.7
96.96011	7.8
97.02951	2.7
97.06583	2.5
99.00920	4.2
101.02461	5.5
109.06590	7.3
113.02457	4.2
125.09694	5.6
161.04524	1.9
163.11282	11.1
165.12830	2.4
171.10283	11.8
181.12332	6.3
185.11873	4.2
191.14397	2.7
197.11766	13.8
199.13376	6.4
201.11340	2.8
207.10249	21.9
209.11810	100.0
210.12224	4.2
211.13437	4.2
225.11298	28.2
227.12883	24.2
235.08281	6.3
243.12337	2.9
245.19135	4.2
253.09276	22.8
263.20224	2.7
289.18063	24.5
291.19736	10.4
307.19098	26.2
309.20688	30.9
310.20975	2.7
327.22073	2.3
461.20276	7.0
479.21494	2.8
704.79578	2.1
728.75739	2.2
753.41266	9.0
754.41174	2.2
771.41498	18.6
772.41003	2.5
803.44135	7.4
804.43323	2.8
839.41248	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	839.2061
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	0.3
64.26624	0.1
66.40639	0.1
71.62568	0.1
79.95732	1.4
79.96185	0.1
85.02937	0.1
93.03451	0.1
96.96001	100.0
97.95952	0.3
98.95576	0.1
109.02913	0.1
134.03716	0.2
135.04509	0.5
137.02452	0.1
139.10310	0.1
139.11221	0.3
157.07724	0.1
159.04408	0.2
161.02490	0.1
164.04756	0.1
173.04602	0.2
179.03481	0.4
181.12357	0.2
183.10251	0.3
191.05586	1.8
192.05890	0.2
199.13359	0.1
201.47044	0.1
222.84154	0.1
225.11258	0.2
239.06764	0.1
243.12305	1.0
244.12711	0.1
289.07135	0.1
323.08005	39.9
324.08325	2.6
324.11374	0.1
353.08786	0.8
354.09387	0.1
381.17480	0.2
387.10764	1.0
388.10962	0.1
399.18289	0.2
414.67661	0.1
470.21274	0.1
515.12115	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	838.2304
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01363	1.2
61.98822	0.8
64.71953	0.3
65.01984	0.3
67.01893	0.5
69.03453	0.3
70.02974	1.5
71.01372	1.4
71.02512	0.4
71.19061	0.3
71.62389	0.4
72.00908	0.9
79.03008	0.8
79.53995	0.3
80.02238	0.3
81.03437	0.7
81.04577	3.2
81.86549	0.3
83.01371	1.4
83.05005	0.4
85.02942	3.4
87.00893	0.9
87.05642	0.4
88.04025	3.5
93.03449	4.2
94.03758	0.4
95.02474	1.1
95.04990	0.4
96.96004	3.9
97.02950	0.7
98.02456	0.5
102.05589	0.8
105.03467	1.3
108.02185	0.5
109.02949	5.4
109.07700	1.1
111.02000	0.4
111.04513	0.5
113.03561	6.5
114.01955	4.8
114.03875	0.5
115.00365	1.3
119.02512	0.8
122.03747	0.6
123.00909	0.4
123.04521	3.7
125.02460	1.3
125.03550	4.0
127.03991	1.1
127.33440	0.3
128.03535	0.9
131.04610	16.9
132.03012	11.8
132.04971	0.9
133.02979	1.1
135.04507	1.9
135.05643	0.9
137.02432	3.6
139.04024	2.5
145.02942	0.6
146.04588	1.3
147.04501	0.9
149.02426	10.6
150.03191	0.6
151.03999	3.9
151.05119	0.6
154.02602	1.0
155.03459	0.3
155.04605	4.8
159.04568	0.4
161.02448	3.0
161.06151	0.4
162.01985	0.8
162.04327	2.3
163.00337	0.7
163.03987	0.9
169.04924	6.8
170.05637	0.6
171.02957	0.7
173.04514	1.9
173.05936	0.6
175.03935	0.4
176.01120	0.7
177.01883	1.2
177.06714	1.2
178.02563	0.7
179.03444	1.4
179.04774	0.4
180.04143	3.9
182.05684	36.5
183.06090	1.3
184.07243	15.0
185.07536	0.5
187.03940	0.5
187.07700	0.4
189.01907	0.5
190.04994	0.6
191.03726	1.1
191.05588	31.2
192.05893	1.2
195.06439	6.3
197.06044	0.7
200.04477	0.6
203.07034	0.3
205.04939	0.6
209.11769	1.4
210.08813	31.9
211.09189	1.6
212.06697	0.5
213.05533	1.6
215.07120	6.3
216.07430	0.5
219.06441	0.9
225.05400	0.5
227.03351	0.5
229.05013	1.1
231.02905	0.5
234.08815	5.9
234.62709	0.4
236.06731	6.6
237.07422	1.1
239.07187	0.5
241.04962	0.6
246.08656	0.4
252.09836	4.3
253.04947	0.5
255.06528	0.9
257.08139	1.4
265.04962	0.5
271.05945	0.8
273.03970	1.1
281.04489	1.2
282.05261	0.6
283.06131	0.4
288.09753	0.7
289.07034	1.1
290.07748	0.5
295.02438	0.9
296.03149	1.2
297.04013	1.2
299.05551	4.7
301.03864	0.3
301.07111	5.5
302.07553	1.0
304.09497	0.6
309.03970	4.0
310.04724	1.2
311.05490	1.0
317.06564	0.5
318.07303	3.1
325.08493	0.4
332.08817	10.5
332.12827	0.5
333.09183	0.9
337.03418	0.9
339.04974	0.8
341.11185	0.4
353.08716	1.3
384.23154	0.4
398.13461	1.8
440.14709	0.6
449.14590	0.4
450.14835	0.6
451.14795	0.4
452.15598	0.4
461.08728	14.3
462.08987	2.2
484.13550	100.0
485.13849	12.1
579.67560	0.4
646.16620	0.5
653.15631	0.5
837.39734	0.5
838.23016	6.8
838.40259	1.2
839.23572	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	838.2307
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	0.7
63.37038	0.4
67.01889	0.8
69.03428	0.6
71.01376	1.2
77.75414	0.3
78.81921	0.3
81.03467	0.4
81.04572	3.9
83.01382	1.8
83.05005	0.5
85.02954	4.0
87.00861	1.1
88.04036	1.6
88.23804	0.3
93.03453	3.6
94.02956	0.5
95.01395	0.3
95.05054	0.4
96.96012	3.8
97.02949	1.3
98.02473	0.6
102.05573	0.5
105.03429	1.0
109.02947	7.1
109.07695	1.5
111.04484	0.6
113.03567	1.0
114.01929	0.7
115.00320	0.6
119.02509	0.5
122.03754	0.7
123.04512	3.6
125.02429	2.0
125.03544	4.3
127.03984	0.9
131.04594	1.5
132.03029	6.0
133.02939	0.9
135.04523	1.7
135.05553	0.7
137.02434	4.5
139.04001	2.6
145.02911	1.0
146.04643	0.6
147.04535	1.4
149.02440	10.0
150.03040	0.6
151.04010	4.2
151.05119	0.4
154.02579	1.1
155.04613	4.5
159.04500	0.9
161.02419	3.3
161.05962	0.6
162.01920	0.6
162.03162	0.7
162.04317	1.6
163.00362	0.9
163.03990	1.3
169.04918	7.2
170.05652	0.5
173.04517	1.5
176.01151	1.1
177.01863	1.1
177.06667	1.2
178.02673	0.8
179.03491	1.0
180.04132	4.0
182.05692	41.3
183.06003	0.8
184.07260	14.6
185.06059	0.6
187.03972	0.6
189.01924	1.2
190.05084	0.6
191.03606	2.1
191.05589	34.2
192.04175	0.6
192.05928	1.2
194.05573	0.4
195.06464	5.7
197.06047	0.5
200.04446	0.4
203.03413	0.4
203.07114	0.5
205.05046	1.0
209.06079	0.4
210.08826	29.8
210.66341	0.4
211.03926	0.7
211.09128	1.0
213.05643	1.8
215.07123	5.2
219.06433	0.6
225.05551	0.5
229.05029	1.5
231.03094	0.4
234.08801	5.6
235.09067	0.4
236.06734	6.0
237.07494	0.8
245.08226	0.4
247.06096	0.5
252.09799	3.8
253.05048	1.1
255.06656	0.4
257.08243	1.0
265.04944	1.0
267.02927	0.8
267.06567	0.3
269.04559	0.7
271.06070	0.8
273.04047	0.6
281.04510	2.6
282.05307	0.6
283.06006	0.9
288.09753	0.5
289.07217	2.1
291.02927	0.8
293.04572	0.8
295.02478	0.9
296.03168	2.1
297.03983	2.3
299.05585	5.0
301.03946	0.3
301.07141	5.8
304.09293	1.2
309.03967	7.9
310.04831	2.4
311.05493	1.1
317.06570	0.5
318.07257	3.4
323.04819	0.4
325.08176	0.4
332.08841	10.7
333.09091	0.7
334.02194	0.4
337.03397	1.8
338.04147	0.6
339.05008	1.5
341.11694	0.5
353.08618	1.1
363.07227	1.2
364.07968	1.0
398.13699	2.0
408.77560	0.3
435.11081	0.7
440.14484	0.7
449.14401	0.8
450.14832	0.5
461.08759	22.1
462.09131	2.5
484.13562	100.0
485.13876	12.2
548.15338	0.6
653.15100	1.7
838.23401	6.0
839.23553	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	838.2305
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01365	0.9
67.01862	0.7
69.03453	0.7
70.63058	0.5
71.01375	1.3
71.55146	0.5
71.62544	0.6
81.03471	0.8
81.04575	3.4
83.01369	1.7
85.02956	5.1
87.00894	1.1
90.72528	0.5
93.03437	4.0
96.96001	2.4
97.02962	0.9
105.03450	1.5
109.02951	9.7
109.07684	0.9
109.37433	0.5
111.04519	0.7
119.04947	0.5
119.15926	0.5
123.04536	5.1
125.02441	2.1
125.03546	3.6
127.03996	0.8
133.03008	1.2
135.04503	2.0
135.05605	1.1
137.02448	5.2
139.04007	2.6
145.02914	1.3
146.03772	1.1
147.04491	1.5
149.02414	11.1
151.03986	4.0
151.05032	0.8
154.02568	1.1
155.03546	0.7
155.04626	4.0
159.04503	2.0
161.02446	4.4
162.01996	0.7
162.04326	2.3
163.00311	0.7
163.03923	1.2
164.01102	0.8
169.04912	8.0
170.05562	0.6
171.02983	0.5
173.04512	1.8
173.05867	0.5
175.03981	0.7
176.01080	0.6
177.01958	3.2
177.06670	0.9
179.03439	1.3
180.04210	2.8
182.05698	35.9
183.06036	1.2
184.07248	15.1
185.06024	0.8
187.04047	0.7
189.01944	5.2
190.02434	1.3
191.03590	2.8
191.05595	40.6
192.05934	1.7
195.06490	6.5
196.05328	0.7
200.04373	0.6
203.03523	1.2
205.05011	0.7
210.08813	29.2
211.04048	0.7
211.09164	0.8
213.05476	1.8
215.07133	6.6
217.01471	2.7
219.02890	0.7
219.06398	1.3
224.05013	0.6
225.05582	1.0
227.03473	1.1
229.05019	2.0
231.03001	1.5
234.08833	5.4
236.06734	5.0
237.05434	0.7
237.07516	0.6
241.05052	1.1
242.54640	0.6
252.09874	3.5
253.05003	1.4
255.06636	0.8
257.08069	1.3
265.05063	0.9
269.04529	0.7
271.06015	1.5
273.04034	0.8
281.04590	3.2
282.05316	1.2
288.09784	0.8
289.07135	3.5
291.03055	0.9
295.02545	1.8
295.06131	0.8
296.03247	3.3
297.03931	2.0
299.05573	4.8
301.07111	4.8
302.07642	0.6
304.09232	0.9
309.03992	10.4
310.04660	2.8
311.05582	1.6
317.06573	0.6
318.07272	3.3
332.08862	11.5
333.09387	0.7
337.03409	1.7
339.05099	2.2
341.06696	4.2
341.10385	0.7
342.07010	1.9
353.08597	1.3
363.07123	2.1
364.07910	2.3
385.05481	2.2
386.05872	2.4
387.10632	0.9
398.13495	1.7
435.10754	0.7
440.14590	0.6
451.10251	1.5
452.10703	1.4
461.08746	29.4
462.09161	4.6
484.13559	100.0
485.13889	14.6
548.15326	1.1
653.14606	1.9
745.53076	0.6
838.23199	5.8
839.24048	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	837.4034
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	6.5
61.98827	100.0
63.99260	5.1
71.01374	24.7
71.04993	2.8
72.11787	2.6
75.60876	2.3
78.95889	5.3
79.95739	4.4
80.96494	7.3
87.00841	4.2
89.02435	3.2
96.96012	61.1
97.02941	6.0
97.06595	3.4
99.00868	9.0
101.02429	6.8
109.06572	7.1
113.02482	2.7
125.09718	7.5
134.87840	2.3
161.04509	4.2
163.11293	8.0
171.10208	7.9
173.75415	2.7
181.12350	15.0
182.64987	2.6
185.11705	3.3
194.32332	2.8
199.13376	10.8
207.10286	35.4
209.11824	30.4
223.13373	3.5
225.11299	62.4
226.11607	4.8
227.12817	8.8
235.08174	5.6
243.12270	12.0
245.19048	5.9
253.09325	15.8
289.18018	22.6
290.18246	2.7
307.19086	21.3
309.20688	3.6
315.92834	2.6
331.18710	4.8
461.20267	15.1
474.54391	3.1
479.21207	4.4
487.34229	7.3
511.23831	3.8
609.62134	3.0
665.80646	2.8
671.32715	4.5
733.36688	4.4
751.38672	8.7
769.39856	31.8
770.40417	6.2
801.42194	17.3
802.42279	3.5
837.40234	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	837.5003
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	4.8
61.98821	4.0
69.03453	0.7
71.01371	4.6
71.62250	0.6
73.02953	1.4
78.95902	0.9
83.01384	0.5
83.05048	0.5
85.02952	1.3
87.00864	0.6
89.02451	2.9
96.95999	3.9
96.96940	0.8
97.02955	0.9
100.07709	0.4
101.02409	3.5
104.19988	0.4
109.06554	0.8
111.08150	11.5
113.02450	2.1
113.23317	0.4
114.16816	0.4
119.03500	1.1
125.09718	0.5
127.07635	1.1
143.03435	0.6
146.15123	0.4
151.11293	1.0
153.09218	0.7
153.12854	0.6
161.04523	1.8
165.12833	1.0
169.12331	4.9
171.10258	1.1
179.05571	0.5
179.10780	0.6
181.12318	1.6
183.13898	0.9
191.14392	0.5
193.12355	0.5
197.11807	54.4
198.12201	2.6
199.13358	3.6
209.11842	1.0
211.13368	9.1
227.12752	1.9
235.08195	2.4
247.20648	1.0
249.14946	1.3
253.09264	21.7
254.09665	1.0
255.23331	0.5
263.20129	2.8
265.18045	1.8
273.18604	1.5
291.19644	23.7
292.19995	2.3
309.20679	100.0
310.21011	7.7
527.28387	0.6
545.29303	2.3
601.41193	1.9
752.09088	0.5
837.49066	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	835.3637
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	0.3
61.98829	0.5
70.72006	0.2
71.01395	0.4
71.53408	0.1
78.91859	0.1
78.95901	1.3
79.95734	3.5
83.42200	0.1
85.02945	0.2
87.00873	0.1
89.02462	0.1
93.03445	0.4
96.96008	100.0
97.95943	0.3
109.02955	0.2
112.98586	0.1
114.05578	0.2
125.02420	0.3
135.04489	0.2
137.02472	0.2
161.02409	0.2
171.10284	0.1
173.04602	0.1
177.01920	0.2
179.03455	0.1
189.01947	0.2
189.90254	0.1
191.05595	1.3
191.07303	0.1
194.84837	0.1
205.01460	0.1
207.10205	0.1
209.11874	0.4
225.11278	0.2
227.12856	0.1
258.68741	0.1
277.14835	0.1
289.07166	0.3
545.13989	0.1
693.74774	0.1
835.40729	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	836.516
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98826	100.0
62.98532	0.2
69.86258	0.1
80.96512	0.2
98.20658	0.2
203.63039	0.1
229.24901	0.2
278.22141	0.3
355.73441	0.1
550.96637	0.2
837.48450	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	834.4125
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01370	0.3
61.98825	100.0
63.99237	0.2
69.30032	0.2
69.84280	0.2
71.01378	0.4
78.95920	0.3
79.95735	0.3
80.96541	0.2
81.51599	0.2
96.96017	0.8
104.12948	0.2
109.06564	0.2
123.22885	0.2
123.95430	0.2
136.22307	0.2
171.10255	0.3
191.05652	0.5
207.10213	0.5
209.11882	0.6
210.12201	0.3
225.11322	0.5
319.22818	0.3
422.17709	0.2
796.91949	0.2
834.38739	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	835.2248
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	100.0
60.01725	0.5
67.01896	0.6
67.58421	0.5
69.03458	0.5
71.01382	10.3
71.17176	0.4
71.62572	0.4
71.62970	0.5
73.02937	3.1
73.95072	0.4
77.67431	0.4
79.95734	0.6
81.03468	0.8
83.01392	3.1
85.02943	6.9
85.11136	0.4
87.00880	1.3
89.02441	0.9
89.03973	2.1
91.01887	0.5
93.03453	5.1
95.01379	1.1
95.05010	0.9
96.96008	7.6
97.02941	1.6
98.95587	0.5
99.00880	1.3
99.04539	0.4
101.02435	6.8
108.02126	0.5
109.02950	9.1
111.04506	1.0
113.02442	3.8
117.03449	0.9
119.04986	0.7
121.02946	2.0
123.04517	4.8
124.04818	0.5
125.02432	6.0
129.02002	0.4
133.02962	8.0
134.03471	0.5
135.04504	1.9
137.01421	0.8
137.02446	10.0
139.03981	1.0
143.03543	0.7
145.02943	1.1
147.04501	0.7
148.01714	0.5
149.02382	2.3
150.03221	0.9
151.03993	2.6
159.03040	0.7
159.04509	1.8
161.02446	11.8
161.04530	5.3
161.06029	1.6
162.03111	0.7
163.00278	0.9
163.03975	0.9
164.01135	1.3
165.01920	1.9
167.03552	0.7
173.04533	2.7
173.05792	0.5
175.04008	2.3
175.07605	0.7
176.01102	0.8
176.04721	2.2
177.01915	66.0
178.02251	3.3
179.03458	2.8
187.03920	1.2
187.07639	0.9
188.04796	1.1
189.01924	7.7
191.05594	16.0
197.06119	0.6
199.03941	0.5
201.01895	0.7
202.06371	0.4
203.03494	2.4
203.05493	0.5
203.07117	3.4
205.01421	1.2
205.05057	2.4
205.08669	1.6
211.04005	0.5
215.03543	1.4
215.07008	0.6
216.00653	3.1
217.01343	4.3
219.02972	0.7
225.05582	0.4
227.03459	4.2
227.07106	0.9
228.04088	0.5
229.01315	3.4
231.02887	0.7
231.06865	0.7
239.03484	1.8
241.05072	0.7
245.08109	4.2
247.06140	0.5
255.02922	1.2
257.04422	0.9
257.08185	1.1
269.04620	0.7
271.06110	0.5
275.09213	0.8
279.03183	0.7
281.04462	1.1
283.02307	0.7
289.03909	0.8
289.07169	15.5
290.07474	0.8
293.04529	1.0
297.03949	0.9
299.05566	1.3
301.09549	1.0
307.02563	2.1
308.03305	0.7
321.04025	4.6
325.03522	4.5
326.04187	0.6
327.05078	0.7
331.17587	11.4
339.05042	22.0
340.05325	1.8
341.06573	0.7
365.17920	0.5
373.18637	13.9
374.18948	0.8
383.11374	0.5
388.93423	0.6
413.19727	0.9
415.18094	1.0
416.18478	0.7
417.19604	8.0
433.09219	0.7
449.14590	2.6
451.10324	3.7
459.07150	6.0
460.07376	1.3
477.08212	4.8
478.08716	0.6
496.10083	0.5
513.12231	1.0
531.12878	3.8
532.13171	0.7
545.14478	3.3
554.81128	0.5
567.13013	0.6
611.12366	0.6
629.12982	5.2
630.12927	0.7
665.16473	1.2
683.17432	7.7
684.17761	1.1
835.22327	4.8
836.23755	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	833.3237
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00600	0.2
59.01377	3.9
61.98824	0.8
66.94888	0.2
69.03455	0.6
69.63347	1.6
71.01379	3.6
72.99326	0.6
73.02943	1.7
79.95736	0.3
83.01394	0.5
83.05070	0.2
85.02943	2.7
86.00089	0.4
87.00862	2.2
87.04524	0.6
88.98811	0.4
89.02457	1.8
89.03957	0.2
93.03459	1.9
95.01377	0.2
96.95999	2.6
97.02960	0.4
97.37469	0.2
101.02437	2.1
103.04005	0.7
105.03457	0.7
107.05019	0.4
108.02224	0.3
109.02950	1.3
111.04534	0.4
113.02450	1.8
115.01862	0.3
115.04005	0.5
117.03463	0.9
119.03493	0.3
121.02972	0.5
123.04501	0.5
125.02413	1.1
125.97345	0.2
127.03999	0.3
131.03514	1.3
131.04558	0.3
132.02182	2.3
133.02954	35.5
134.03641	1.2
135.04524	14.7
136.04852	0.5
137.02429	1.1
143.03470	1.3
146.04657	0.3
149.02466	0.6
149.06090	0.6
150.03210	0.5
150.06827	0.8
151.03963	0.5
153.01926	1.1
160.01738	0.2
161.02440	100.0
162.02788	4.4
163.06116	0.3
164.01183	0.3
164.26387	0.2
165.01889	0.3
165.05580	0.3
171.10213	0.3
173.04527	1.2
175.03957	0.7
175.07796	0.3
177.01924	0.6
177.05585	0.8
178.09798	0.3
179.03500	8.7
179.10753	0.3
180.03874	0.4
187.07748	0.2
188.04437	0.2
189.01915	0.2
190.02750	0.3
191.05600	6.9
192.05968	0.4
203.03462	1.5
205.07173	0.8
209.11806	0.6
215.07161	0.3
221.04485	0.3
243.06479	0.3
289.07349	0.4
301.18234	0.3
319.19064	0.6
335.22290	0.3
339.07251	1.1
447.12683	0.4
449.14175	0.3
481.24313	0.4
627.29962	1.6
659.21887	0.3
671.39728	0.3
687.31921	0.6
771.32147	1.1
772.31628	0.3
789.33344	50.6
790.33691	11.1
833.23334	0.4
833.46869	1.1
834.46735	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	833.323
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	10.4
61.98840	0.6
64.26630	0.6
67.01883	0.9
69.63271	3.4
71.01381	6.1
72.99303	0.8
73.02946	4.1
83.01386	1.3
85.02942	5.1
86.00073	0.8
87.00871	5.1
87.04502	1.3
89.02435	2.9
93.03460	3.3
95.01331	0.6
96.96011	6.5
99.00874	0.6
101.02441	4.8
103.04021	0.8
105.03448	0.7
107.05053	1.8
109.02961	1.4
111.04575	0.5
113.02438	2.2
115.03976	1.2
117.03487	1.3
119.03528	0.6
121.02930	0.7
123.04523	2.5
125.02444	1.5
128.03503	0.5
129.80292	0.6
131.03496	2.9
132.02182	2.5
133.02956	32.3
134.03722	1.6
135.04524	14.7
137.02420	2.8
143.03506	3.8
148.05281	1.0
149.02431	1.3
149.06046	3.0
150.03232	2.4
151.04033	1.5
161.02443	100.0
162.02795	5.1
163.06183	0.8
165.01927	0.7
165.05563	2.1
167.03484	4.9
173.04527	1.9
177.01929	0.8
177.05562	5.5
178.02650	0.6
179.03491	13.0
189.00180	0.5
189.01865	0.7
191.03754	0.9
191.05612	13.5
191.07350	0.8
192.06020	0.6
195.06596	0.9
203.03474	1.0
205.07164	2.2
207.08777	0.8
217.01352	1.0
221.04507	6.3
236.05649	0.6
239.06723	3.3
239.56888	0.8
253.05064	1.4
271.02267	0.7
271.06097	0.8
281.06586	3.6
287.15857	0.7
319.19034	0.8
353.42285	0.6
365.18082	0.7
399.18323	3.6
400.18597	0.8
433.26355	0.6
481.24359	0.7
627.30347	3.4
649.26300	0.7
789.33301	72.6
790.33636	15.6
833.24384	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	833.2367
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	1.4
65.00334	0.8
67.01893	0.9
69.03450	0.7
69.33582	1.9
71.01365	1.2
72.02847	0.2
73.02958	0.2
77.03986	0.3
79.01895	0.3
81.03452	1.9
83.01390	1.2
83.05013	0.4
85.02946	6.9
87.00871	1.8
93.03456	10.9
94.03815	0.3
95.01402	0.6
95.05038	0.5
96.96014	0.4
97.02957	2.0
98.20620	0.4
99.04498	0.5
105.03443	0.4
107.01394	1.4
109.02937	1.3
111.04529	1.5
115.23151	0.2
117.03460	4.5
118.95455	0.2
121.02953	1.9
123.00899	0.5
123.04519	1.1
123.63823	0.2
125.02442	7.8
127.04018	1.7
133.02940	1.2
134.03751	0.4
135.04533	2.1
137.02448	2.2
149.02397	1.5
151.00359	2.4
151.03992	0.3
153.01990	0.3
155.03499	1.1
156.05859	0.3
157.06656	0.4
159.04477	1.5
161.02460	3.8
163.00331	1.1
165.01917	2.9
167.03511	2.7
171.02904	0.4
171.08162	0.5
173.04555	17.3
174.04855	0.5
177.01970	0.9
177.04166	0.5
177.05624	0.7
179.03513	0.9
189.67125	0.2
191.05612	100.0
192.06059	4.1
193.01421	5.8
193.05054	0.5
194.01810	0.2
200.04784	0.4
201.05573	1.9
203.03482	0.3
203.32234	0.2
204.06720	0.4
205.01427	0.5
207.08861	7.5
209.04633	0.2
215.07149	1.4
219.06656	0.5
223.02411	1.0
224.05493	2.0
225.05820	0.3
229.01590	0.3
243.06563	0.9
245.04555	4.7
246.04747	0.3
257.04538	1.6
259.06094	0.7
261.42346	0.3
268.52066	0.2
271.05951	0.5
284.02884	0.4
285.03925	0.3
285.52747	0.2
287.05594	52.1
288.05957	4.0
289.07007	0.3
299.05643	1.5
303.05063	0.3
317.06622	10.9
318.06967	0.6
327.13528	0.4
329.06653	0.5
332.14163	0.2
345.14557	0.8
351.06989	0.5
353.08771	0.5
355.09824	0.3
367.10480	0.3
389.08899	1.4
407.09811	22.5
408.10187	2.6
425.07434	0.3
425.13086	4.0
426.13626	0.4
433.18954	0.4
486.95209	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	832.3812
Annotation	Unknow
Peak:m/z	Relative Intensity
58.99800	0.2
59.01371	1.0
61.98824	100.0
68.99551	0.3
70.46496	0.6
71.01383	0.9
78.95917	0.3
85.02948	0.3
89.02449	0.4
96.96011	2.5
101.02429	0.6
109.02946	0.2
113.02449	0.4
121.02953	0.3
125.02450	0.6
135.04462	0.3
137.02461	0.5
161.02493	0.2
173.04546	0.3
191.05539	1.7
191.71922	0.2
192.06010	0.2
196.65819	0.2
197.11871	0.4
209.11789	2.3
210.12141	0.7
210.91975	0.2
223.13359	1.2
224.13469	0.4
225.11263	0.3
227.12880	0.4
289.07138	0.4
383.19006	0.3
397.13669	0.4
415.14880	0.3
440.51089	0.3
772.41437	0.2
775.94781	0.2
801.43719	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	832.3808
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	0.6
61.98825	100.0
69.24751	1.8
71.01386	0.8
73.06919	0.2
73.58643	0.2
78.95927	0.2
85.02942	0.3
89.02493	0.2
93.03467	0.2
96.96007	1.6
98.20615	0.5
114.57673	0.2
123.04556	0.3
123.83012	0.1
125.02422	0.4
133.03014	0.3
137.02432	0.2
151.04047	0.4
158.90346	0.2
161.02438	0.2
171.10262	0.2
177.69217	0.2
191.05603	1.1
209.11800	1.1
210.12282	0.4
223.13268	0.2
225.11275	0.2
262.63092	0.2
289.07114	0.4
390.73557	0.2
397.13605	0.3
501.32291	0.3
548.25983	0.2
655.07025	0.2
833.38049	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	831.2566
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00580	0.4
59.01373	11.2
61.98808	0.4
67.01886	0.9
68.99806	1.1
69.03437	0.6
71.01377	14.3
71.61483	0.5
72.99314	2.6
73.02943	1.2
74.96732	0.4
75.00867	11.4
83.01397	0.9
84.02140	0.4
85.02943	17.9
86.03305	0.3
87.00873	7.0
89.02439	4.8
91.03991	0.6
91.05524	9.2
93.03448	2.1
95.01370	4.2
96.96014	0.9
97.02930	0.4
99.00875	7.5
101.02422	0.8
103.00391	2.1
109.02958	0.7
111.00878	0.9
111.04517	0.5
112.07884	0.4
113.02440	21.9
115.00372	1.1
117.01940	2.0
117.03454	2.9
121.02935	0.9
125.02434	1.2
127.03934	0.4
129.01950	1.4
131.03520	0.9
132.04530	0.8
135.04523	5.4
137.02412	1.2
149.04536	0.9
150.03250	0.5
157.01419	0.5
161.02426	0.5
165.01900	0.5
173.04591	1.5
175.02475	2.1
182.07697	0.3
182.79425	0.3
191.05597	8.1
192.05864	0.6
205.07138	0.6
207.05061	1.4
231.05070	1.3
249.06117	21.0
250.06422	0.8
267.07181	59.7
268.07553	2.4
289.07025	0.6
297.39914	0.4
383.20383	0.4
385.11362	100.0
386.07098	0.5
386.11673	8.2
449.14661	0.7
467.15500	0.4
676.24438	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	831.5627
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00588	0.7
59.01365	1.7
61.98829	5.9
71.01383	1.1
72.02143	0.4
73.02937	0.6
83.05038	0.9
85.02954	0.7
87.04524	0.8
88.98805	0.5
93.03476	0.4
95.04967	0.4
96.96021	4.2
97.06576	1.3
98.03791	0.3
98.19912	0.8
101.02446	0.3
109.06561	0.4
113.09721	11.5
114.10054	0.4
123.08176	0.6
125.02430	0.5
125.09706	5.6
127.11292	5.9
135.04466	0.4
137.02420	0.7
137.09694	1.3
139.11272	0.7
141.09193	1.4
151.07654	0.5
151.11226	1.8
153.09207	1.2
155.10764	2.4
156.17043	0.3
157.12335	0.4
165.09189	2.3
167.10765	0.8
169.12352	0.6
171.10266	5.6
177.09134	0.4
183.10252	1.1
191.05600	1.4
195.10246	2.5
197.11908	0.4
199.09727	1.8
201.11304	46.8
202.11682	1.8
207.10287	0.4
209.11797	3.6
213.11316	27.9
214.11662	1.3
227.12915	1.2
247.20663	0.8
253.09195	0.5
289.07312	0.5
291.19669	5.7
292.20102	0.6
309.20715	7.6
310.20966	0.7
325.20233	1.3
327.21741	100.0
328.22092	8.5
503.33621	0.7
646.58270	0.4
683.45087	0.3
831.36633	0.5
860.31934	0.4
862.54443	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	827.5307
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	2.3
60.99289	2.5
61.98836	4.8
69.03451	1.3
71.01367	2.9
71.61966	1.4
72.99303	2.0
83.05006	2.0
85.02916	2.1
87.04460	0.8
88.98804	12.4
93.03465	1.6
95.05073	1.0
96.95989	7.2
97.02953	1.1
97.06577	1.6
109.06586	6.3
111.08159	5.1
113.02444	1.3
113.03514	1.0
115.07671	0.9
116.92862	1.6
120.79193	0.9
121.39462	0.9
123.08182	1.0
125.02423	1.4
125.06082	1.4
125.09718	6.0
127.07650	1.0
127.11256	3.0
131.04591	1.7
133.02962	2.2
135.04475	2.6
137.02469	1.0
137.09715	2.4
139.68843	0.8
151.03937	1.0
151.11226	1.7
155.10732	1.2
161.02457	4.3
169.12335	1.2
171.10257	5.1
173.04483	1.0
176.52492	0.8
179.03601	0.9
183.13911	1.0
191.05620	7.7
192.05908	1.0
195.10219	1.3
197.11853	8.8
199.09778	0.9
199.13361	1.8
201.11311	21.5
203.42920	0.9
209.11697	1.9
211.13350	7.4
213.11264	13.5
214.11609	0.9
227.12860	1.9
235.13367	1.1
237.14908	1.2
245.18921	1.1
289.07120	1.5
289.18002	4.9
307.19104	12.2
310.04340	1.0
325.20160	100.0
326.20493	9.7
332.07919	1.0
354.09586	1.0
387.28046	0.9
483.31201	2.6
501.32190	20.8
502.32538	3.4
665.36902	2.3
827.42267	1.9
838.93066	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	827.4461
Annotation	Unknow
Peak:m/z	Relative Intensity
63.96252	2.3
67.64717	1.3
71.01376	11.2
73.02932	2.7
78.95885	1.9
78.98570	8.1
79.95730	21.1
80.96512	100.0
82.96068	1.7
85.02934	3.6
87.00866	3.0
94.98080	21.5
96.95978	3.4
101.02421	3.4
106.98044	4.3
122.97544	4.7
125.02396	4.3
134.97556	8.2
136.23079	1.4
144.84326	1.4
148.99138	11.0
152.98634	8.0
164.98633	12.9
171.10255	2.3
206.99599	3.1
225.00716	26.1
226.01025	1.5
229.24190	1.6
283.26453	2.6
356.38931	1.4
428.84497	1.4
453.14224	3.3
525.16669	1.4
646.23633	1.5
654.67529	1.4
723.39398	2.2
737.41510	68.6
738.41718	13.0
809.43683	13.1
810.43121	2.2
827.44550	44.3
828.44727	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	826.241
Annotation	Unknow
Peak:m/z	Relative Intensity
57.79518	0.2
59.01374	16.5
64.25951	0.2
69.03445	0.4
71.01373	5.4
71.61713	0.4
73.02940	1.4
75.00864	0.3
83.01363	0.3
85.02945	1.7
87.00896	0.3
88.82102	0.2
89.02446	2.5
92.05051	5.8
93.03458	0.8
94.03779	0.2
95.01373	0.4
96.95988	0.2
97.02945	0.6
99.00874	0.7
101.02435	1.4
113.02437	1.3
116.05036	0.5
118.02986	1.8
120.04547	1.9
121.02910	0.3
125.02455	1.5
128.50475	0.2
130.06616	0.3
131.03760	35.6
132.04546	100.0
133.04889	3.8
143.03571	0.3
144.04550	2.7
146.02356	0.3
146.06139	1.1
149.04492	0.2
151.03961	1.1
158.06108	3.4
159.02980	0.2
161.04535	1.6
172.04065	0.5
173.04539	0.3
174.05588	5.0
175.05862	0.2
186.05585	1.9
191.05559	1.8
203.05579	7.0
233.06593	0.9
276.08832	2.8
290.40497	0.2
293.08743	3.5
294.09753	0.8
311.48871	0.3
336.10840	28.0
337.11157	2.6
337.20132	0.6
379.17917	0.4
380.18015	0.3
381.19196	0.4
590.61346	0.2
609.62573	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	825.2088
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	0.9
67.01891	0.5
71.01392	0.4
71.60764	0.2
81.03474	0.7
85.02950	1.3
87.00890	0.8
89.03961	1.2
90.82274	0.2
93.03450	3.3
94.03818	0.3
95.05075	0.3
96.95999	0.4
96.97778	0.2
98.92011	0.3
105.03446	2.9
109.02938	0.7
111.04520	0.6
123.04568	0.3
127.04055	0.6
133.02954	10.0
134.03375	0.3
135.04524	4.2
137.02504	0.3
148.01601	0.4
149.02435	0.9
155.03477	0.4
161.02429	0.6
168.76213	0.2
173.04543	5.7
174.04953	0.4
176.01128	1.5
177.01915	100.0
178.02255	5.3
179.02242	0.3
179.03516	3.1
191.05600	19.0
192.05959	0.8
215.05539	1.2
219.02983	0.2
351.07181	3.3
352.07492	0.5
353.08716	5.2
354.09558	0.3
471.11395	49.6
472.11716	5.9
473.12100	1.0
494.40591	0.3
653.24084	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	823.4247
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	5.3
61.98820	13.0
67.95483	2.1
69.58112	13.2
69.79641	1.9
71.01376	20.9
73.02956	3.2
77.22321	1.9
78.95927	2.9
83.05032	4.8
85.02934	2.8
86.32274	2.6
87.00854	2.1
89.02435	5.1
91.91695	1.9
92.44427	2.3
96.96017	25.3
99.00879	4.8
101.02428	6.7
103.18723	2.1
109.06604	5.2
111.08196	2.4
113.02457	2.3
115.05441	2.2
115.42210	2.1
117.10543	2.4
125.02422	2.7
125.09705	2.7
139.52762	2.1
161.04507	3.4
163.11272	9.2
171.10248	11.5
179.10654	2.3
181.12349	5.3
191.05527	3.2
199.09662	3.8
199.13393	7.8
201.11293	4.3
207.10242	28.4
209.11813	100.0
210.12029	4.7
211.13452	2.7
223.13347	3.8
225.11298	37.6
227.12807	21.5
235.08156	6.9
243.12273	7.7
244.75882	2.3
253.09265	22.2
291.19635	60.6
292.19983	3.9
293.21207	46.6
294.21362	5.7
307.19077	2.7
423.18408	2.5
461.20364	10.7
479.21265	8.1
719.39771	4.8
737.40472	8.9
755.42657	21.0
756.42316	5.2
787.44495	17.2
788.45081	2.9
808.71027	2.7
823.41736	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	823.4688
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	19.7
61.98830	4.8
69.03439	1.2
71.01376	16.9
71.62574	1.4
72.99306	1.1
73.02944	2.3
77.12816	0.9
80.96503	2.7
81.03428	1.0
82.95409	2.3
83.01366	1.7
83.05032	1.0
83.88783	0.9
85.02953	3.9
87.00864	3.3
89.02435	11.0
95.05019	1.5
96.95996	2.5
97.02920	2.9
97.06584	11.6
101.02437	12.5
113.02437	5.8
116.92891	1.0
119.03490	2.2
123.08164	4.8
125.02402	2.4
125.09719	59.4
126.10051	1.9
137.09676	1.2
143.03522	1.2
143.10765	1.1
155.10760	1.0
161.04500	2.2
171.10258	7.7
179.05548	1.7
183.14029	1.1
187.09746	30.9
195.13899	1.7
211.13452	5.2
221.06717	1.4
229.14404	3.5
235.08226	3.9
239.13007	1.0
253.09262	10.9
255.23273	36.7
256.23657	2.8
276.47012	1.0
277.21674	17.0
286.77167	1.1
291.19739	3.2
293.21207	6.8
295.22806	2.9
309.20633	8.8
311.22275	6.6
327.21738	21.7
328.22012	2.0
397.13528	1.8
433.90161	1.1
460.30420	1.1
643.40912	1.3
707.65393	1.2
733.37805	1.9
823.46954	100.0
824.47162	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	821.409
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	1.7
59.01365	5.1
61.98829	100.0
71.01377	24.3
73.02952	2.2
80.96507	4.6
81.03477	2.1
83.01378	1.8
83.05059	2.6
85.02950	2.3
87.00883	3.2
97.02979	2.7
97.06577	2.4
98.20670	2.8
99.00871	2.8
101.02452	4.5
109.06577	4.7
125.09735	2.5
129.05315	1.7
143.99113	5.1
145.05080	2.4
163.11281	3.8
165.12675	2.0
171.10266	7.6
172.10655	2.0
185.11797	1.8
191.05621	1.9
197.11784	5.5
201.11305	1.8
207.10216	5.3
208.10593	2.1
209.11819	29.0
210.12198	3.4
222.75299	1.6
223.09746	4.2
223.13428	2.4
225.11313	8.1
227.12840	6.4
253.09244	4.6
289.18005	10.7
290.18280	2.0
292.20016	1.9
307.19128	7.8
309.20599	2.6
315.45020	1.8
350.65366	1.6
445.20624	3.6
566.13208	2.1
608.03528	1.9
820.52112	2.0
821.40564	23.7
821.53876	2.5
822.41010	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	819.4381
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	4.7
59.01377	16.8
61.37326	1.3
61.98829	21.1
69.03447	3.8
71.01376	76.2
71.01769	3.7
71.05007	4.0
71.62389	2.5
72.99290	1.6
73.02937	4.6
75.00880	1.8
78.95869	1.4
79.95724	4.1
80.02676	3.3
80.96518	7.2
81.03454	3.0
83.01374	3.5
83.05010	6.9
84.02158	2.3
84.87351	1.4
85.02953	5.6
87.00858	5.6
89.02445	8.4
93.03423	2.9
94.98057	2.1
95.05030	4.1
96.96005	69.9
97.02957	7.2
97.06601	7.1
99.00857	4.4
99.04486	1.8
101.02444	11.0
107.05009	1.9
109.06586	21.3
111.00914	1.8
111.04506	2.5
112.98524	2.5
113.02419	6.6
116.92820	5.7
119.03462	1.6
121.06521	2.0
123.04523	1.9
123.08104	1.6
125.02450	4.6
125.06080	2.6
125.09686	3.1
127.07658	3.0
135.04512	2.0
135.08165	3.6
145.05081	1.9
151.11249	3.5
155.10744	2.8
161.02426	1.9
161.04514	6.0
161.09651	2.3
163.11276	14.3
164.98602	1.6
165.12802	3.5
167.10747	1.5
169.12332	21.2
171.10257	35.2
173.04524	4.6
179.03325	1.8
179.05562	1.7
179.10724	1.9
181.12350	8.2
184.81372	1.5
185.11855	2.7
191.05589	9.8
191.10773	3.2
193.12320	3.9
197.11804	19.5
199.13397	3.5
201.11310	10.1
207.10240	37.7
209.11809	100.0
210.12129	5.9
211.13371	10.0
225.11295	35.6
225.14928	4.2
226.11533	2.2
227.12875	12.5
235.08174	10.3
235.13394	1.7
237.14954	2.7
241.14476	1.7
243.12233	3.7
247.13332	2.0
249.14900	1.9
253.09251	24.7
265.14520	1.8
287.16531	2.1
305.17712	3.7
307.19144	2.8
323.18802	2.4
325.20172	36.5
325.23938	2.0
326.20328	4.6
341.23325	42.3
342.23691	3.4
343.21185	3.1
363.34909	1.7
405.21170	2.6
407.19101	1.6
443.19275	1.7
461.20251	8.5
503.33884	1.7
577.32111	3.6
616.11920	1.9
654.79663	1.8
703.35046	2.1
769.40466	7.7
770.39893	3.1
787.42352	2.5
819.41034	3.1
819.53839	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	819.4381
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	5.0
59.01376	16.7
61.98828	92.1
67.01876	1.5
68.99806	2.7
69.03452	2.7
71.01379	100.0
72.99316	2.3
73.02929	3.8
79.95739	3.3
80.02664	1.7
80.96507	7.9
81.03461	5.3
83.01390	3.0
83.05010	5.2
84.02177	2.2
85.02936	7.7
87.00880	7.5
89.02433	7.0
94.98025	1.5
95.05026	2.4
96.95996	6.5
97.02943	9.4
97.06580	5.8
99.00864	7.7
101.02425	10.4
102.40579	1.5
109.02929	2.4
109.06584	17.4
110.03718	2.0
111.00869	1.5
111.04501	6.1
111.08175	2.5
113.02460	5.2
114.66270	1.6
116.92861	1.8
121.03015	1.7
121.06669	1.3
122.03749	1.3
123.04507	4.8
123.08143	2.3
125.06071	1.5
125.09733	12.7
127.11292	3.3
135.08128	3.1
136.05333	1.4
137.09679	2.7
145.05029	1.4
151.11339	2.4
153.09142	1.6
161.04498	3.2
161.09712	4.8
163.11281	12.3
165.09119	1.3
165.12836	3.7
167.10713	2.4
169.12305	4.0
171.10272	28.5
177.09186	3.3
179.05638	1.3
179.10728	9.0
181.12379	8.3
185.11827	9.9
187.09824	2.4
191.05589	2.5
195.10179	1.7
197.11826	18.3
198.12102	1.4
199.09795	3.5
199.13409	3.0
201.11337	7.1
205.08690	13.7
206.09047	2.0
207.10237	34.8
208.10576	3.4
209.11818	18.0
210.12228	1.8
211.13306	3.1
213.11314	5.5
215.12747	1.9
221.11874	2.5
223.09761	27.8
223.13318	4.8
225.00858	1.4
225.11313	32.7
226.11563	1.9
227.12819	3.2
229.43872	2.2
229.71402	1.3
235.08160	2.8
241.10760	4.0
243.12308	4.6
245.19026	2.7
247.20595	2.3
253.09268	13.7
289.18085	13.5
291.19620	21.4
292.20016	2.4
307.19009	8.6
309.20679	18.6
310.20956	2.7
331.18835	7.0
341.23010	1.9
459.18631	2.0
461.20496	3.2
477.19543	2.2
479.21255	2.1
490.18475	1.4
542.81628	1.3
612.73724	1.5
631.29340	1.9
685.30640	4.4
751.39630	2.2
769.39911	4.1
770.40613	1.7
819.39343	4.5
819.53131	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	818.4538
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98827	100.0
62.98525	0.2
69.96202	0.3
71.01391	0.2
76.58233	0.1
79.95709	0.1
80.96496	0.7
84.84081	0.1
86.89314	0.1
87.91946	0.1
94.98100	0.2
96.96023	0.3
126.34691	0.1
163.30959	0.1
164.98567	0.2
171.58113	0.1
209.11909	0.4
210.12132	0.2
211.12440	0.2
225.00787	0.3
277.21848	0.2
278.22052	0.2
279.22971	0.1
421.19409	0.1
819.41748	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	818.4948
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	0.8
61.98827	20.8
63.01606	0.5
68.59357	0.6
70.76115	1.1
70.76446	0.8
71.01383	1.4
71.02504	0.6
71.25224	0.5
74.77396	0.6
80.05081	0.6
80.96507	3.2
82.06623	1.1
82.96104	0.6
87.05709	5.0
94.98062	0.6
96.96001	1.1
97.04047	1.1
111.08249	0.6
112.07652	1.4
113.03553	1.1
113.07259	0.5
113.12193	0.6
118.06622	0.7
121.04050	1.6
123.04514	0.5
127.08720	0.8
129.09401	1.2
129.10338	14.3
130.08731	2.4
139.08757	3.8
140.07153	3.7
146.06094	1.8
153.10394	0.9
155.08250	3.6
155.11888	1.2
164.09479	3.2
165.10313	5.1
167.08205	1.4
169.13553	0.6
178.12413	0.5
178.68793	0.6
180.11404	0.7
182.12947	2.5
183.11363	2.2
191.05560	0.8
195.15091	0.7
197.11945	0.7
197.16614	3.0
198.07820	0.8
198.12286	0.9
200.13966	4.5
207.15022	14.5
208.13326	1.0
208.15182	0.7
209.11737	0.7
214.12128	0.9
216.13994	0.8
224.17628	6.9
225.11259	0.8
225.16077	4.3
231.14938	0.7
241.13414	2.4
242.11789	1.6
242.18756	12.0
243.19080	0.9
249.13329	0.5
259.14517	5.6
268.20392	0.7
270.21646	0.6
276.17282	1.0
295.21304	6.9
296.21848	1.0
310.24921	0.8
312.17221	2.9
313.22409	4.2
329.19809	0.8
330.18250	2.7
337.26077	7.4
347.20856	1.6
355.27109	4.3
371.24438	0.7
389.25635	1.6
426.30319	0.7
443.26724	0.8
468.35623	1.1
530.87915	0.6
539.39429	2.4
540.39795	0.9
548.57239	0.6
556.35138	0.9
573.37366	2.0
615.42145	0.8
764.55420	0.6
782.51794	100.0
783.52039	24.6
818.49701	15.2
819.51123	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	815.4979
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98801	1.0
63.96228	3.5
69.47809	0.9
71.01385	10.3
73.02960	1.9
78.98589	7.6
79.95732	14.5
80.96511	100.0
81.03456	1.3
85.02934	3.2
87.00874	3.2
94.98078	23.3
96.96017	2.8
97.02934	3.1
101.02438	2.9
106.98062	5.2
122.97569	4.8
125.02435	2.9
134.97598	6.3
136.99084	1.8
148.99127	5.6
152.98601	5.9
153.02431	1.0
164.98630	15.0
206.99678	3.0
208.60231	1.0
225.00685	19.6
226.01074	1.1
231.77954	1.0
255.23279	1.4
559.25952	2.6
694.07629	1.1
815.49774	96.2
816.50146	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	816.3865
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	0.2
61.98827	100.0
62.98529	0.2
71.01388	0.3
79.95733	0.2
80.96530	0.3
85.02971	0.1
88.98832	0.1
93.03434	0.1
96.96008	1.1
97.02915	0.1
98.20667	0.1
100.05094	0.1
101.02443	0.1
109.85991	0.1
123.04481	0.1
125.02454	0.3
137.02458	0.2
151.03970	0.2
154.45073	0.1
161.02455	0.2
191.05597	0.7
197.11909	0.3
209.11844	0.3
229.55383	0.1
289.07291	0.2
397.20599	0.1
618.51569	0.1
682.69281	0.1
751.49103	0.1
816.50226	0.2
817.42841	0.2
835.40289	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	816.3868
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	0.2
61.98828	100.0
62.98537	0.2
69.90732	0.2
69.91142	0.3
71.01392	0.1
80.96532	0.1
94.64875	0.1
96.96029	0.5
121.02843	0.1
123.04533	0.1
125.02470	0.2
125.60921	0.1
137.02477	0.2
151.04062	0.2
173.04535	0.1
191.05606	0.3
197.11774	0.1
209.11958	0.1
335.22238	0.9
380.83475	0.1
393.87616	0.1
474.96545	0.1
707.04999	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	815.498
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	0.5
59.01374	5.2
61.98825	2.5
63.96236	2.4
64.97031	0.4
69.03453	0.9
70.03284	1.4
71.01375	9.4
71.04995	0.3
72.99319	0.5
73.02946	2.2
78.95895	1.5
78.98585	8.1
79.95732	19.1
80.96510	100.0
81.03457	1.2
83.01377	0.6
85.02943	3.9
85.28506	0.3
87.00868	3.6
94.98080	22.8
95.01369	0.4
96.95988	1.6
97.02924	1.7
99.00870	1.0
101.02431	3.4
106.98087	4.4
113.02458	0.5
118.96931	0.4
122.97588	4.4
125.02453	4.0
127.00248	0.3
127.04011	0.9
134.96631	0.2
134.97574	7.1
136.99113	1.8
141.01721	3.8
143.99156	0.7
148.99121	8.6
152.98608	8.1
152.99477	0.4
164.98611	14.3
165.99040	0.5
167.00188	0.6
206.99654	3.4
218.30182	0.3
223.02022	0.4
225.00722	19.6
226.01102	0.6
253.09380	0.5
255.23247	4.3
268.17862	0.4
277.21732	1.0
279.23526	0.4
283.05029	0.3
305.02286	0.8
341.23026	0.5
411.03546	0.4
417.95703	0.3
537.27063	1.7
559.25665	2.1
670.99573	0.3
815.49744	81.7
816.50073	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	815.4785
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	3.0
59.89703	0.6
61.98826	1.4
70.33760	0.5
70.75315	1.2
70.75641	0.9
71.01379	3.1
73.02958	0.9
75.00867	0.6
78.95900	6.9
79.95707	1.4
80.02702	0.9
80.96514	6.3
81.03474	0.8
83.05018	4.2
85.02948	0.6
87.00883	0.8
89.02432	1.9
94.98033	0.8
95.05007	0.6
96.96017	2.3
96.96953	1.5
101.02442	3.1
102.83828	0.6
108.52388	0.6
109.02959	0.6
113.02399	0.9
119.03438	0.7
125.02450	0.6
127.11221	0.6
133.35231	0.5
134.97586	0.6
152.99556	1.7
161.04568	1.6
163.11279	4.0
164.98666	1.2
165.12836	1.6
165.87679	0.5
171.10243	3.2
188.37642	0.6
191.10878	0.9
209.11806	100.0
210.12169	4.8
225.00838	0.7
225.11382	1.0
227.12895	11.8
228.13155	0.7
235.08176	4.6
236.09120	0.6
241.01170	2.7
253.09291	8.0
255.23267	4.0
267.23175	0.6
277.21695	85.7
278.22067	6.6
390.58188	0.6
445.20731	2.9
467.25555	0.6
513.30664	1.3
725.38995	2.2
797.41028	3.7
798.41235	0.7
815.50909	6.0
816.50299	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	813.4276
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	1.9
59.01374	13.7
60.87977	1.1
61.98825	14.3
62.08749	1.0
62.76054	1.2
69.03437	1.7
69.87563	1.1
71.01375	9.9
71.05025	1.8
71.62012	2.4
72.99305	1.4
73.02937	1.6
77.72502	1.1
80.96542	1.5
81.20153	1.2
83.05006	1.6
85.02944	3.1
87.00848	1.8
89.02443	4.4
93.03432	1.7
96.96015	8.2
97.02938	11.3
97.06596	2.4
99.00869	14.8
101.02427	5.0
109.06572	3.4
111.04526	1.8
111.08139	5.6
113.02440	3.3
115.52794	1.3
123.04585	1.3
125.09737	6.3
126.34320	1.3
135.04483	1.3
135.08167	1.5
142.02721	2.5
161.04530	2.4
161.09637	1.4
163.11278	11.3
165.12825	3.6
169.12309	2.0
171.10242	4.6
178.16077	1.4
179.10832	1.3
181.12332	18.1
183.13766	1.8
191.05563	1.8
193.12502	1.8
196.23563	1.2
197.11809	23.7
199.13390	2.7
203.28288	1.4
207.10252	53.9
208.10516	3.8
209.11807	9.4
211.13348	4.9
223.73973	1.2
225.11308	100.0
226.11589	5.6
227.12822	9.8
235.08168	4.8
243.12370	16.4
247.20604	1.2
251.37045	1.4
253.09222	8.2
263.20251	2.0
289.18008	4.7
291.19635	20.2
293.21237	4.3
307.19049	4.2
309.20691	58.0
310.21066	6.5
317.15811	1.7
331.48312	1.6
342.12595	1.4
443.19351	1.8
461.20227	33.2
462.20834	2.2
517.31860	2.3
545.29620	2.3
753.40576	54.5
754.41058	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	813.245
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03431	1.6
58.00614	0.5
59.01376	3.3
60.99305	4.0
65.03940	0.6
67.01888	11.3
68.99788	0.4
69.03445	2.8
71.01374	5.9
71.19461	0.4
71.61507	0.7
73.02934	0.9
77.11398	0.4
80.11951	0.4
81.03474	3.0
83.05023	1.8
85.02929	6.4
87.00873	14.9
93.03453	81.3
94.03790	2.2
96.96011	1.2
97.99368	0.3
99.00883	1.6
99.04517	1.5
101.02429	0.8
101.25954	0.4
109.02940	2.1
111.00851	0.7
111.04517	10.8
112.04877	0.5
113.02451	1.2
115.04030	0.6
116.78385	0.4
117.03487	0.5
127.04005	1.9
129.01910	2.0
134.03731	22.9
135.04068	0.8
137.02440	2.9
143.03493	0.6
149.06076	1.9
150.03159	0.5
155.03467	3.5
155.81697	0.5
160.01692	0.5
161.02409	0.5
171.02986	0.4
173.04533	84.1
174.04930	3.3
178.02693	1.3
191.05597	97.8
192.05899	3.1
193.05038	15.0
194.05380	1.0
349.20023	3.4
350.20432	0.6
367.10287	100.0
367.20108	2.0
368.10559	9.0
368.78595	0.4
502.33258	0.4
557.14618	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	811.4479
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	1.9
59.01370	12.9
61.98830	6.0
68.99573	1.9
69.03448	2.0
71.01388	7.5
71.05042	1.3
71.61858	1.3
71.62235	1.5
79.05906	1.0
85.02927	1.2
89.02444	4.7
93.03452	2.2
95.05040	1.5
96.96024	2.6
97.02940	3.3
97.06596	1.7
99.00865	1.4
101.02458	5.4
109.06589	1.2
111.08156	7.2
111.69011	1.1
113.02451	2.5
119.03512	1.8
123.04554	1.2
125.02415	1.4
125.09750	1.4
135.04509	1.1
145.05145	1.7
151.11299	1.8
161.04527	2.3
163.11256	2.4
165.12794	2.1
167.10750	3.4
169.12321	2.7
171.10268	1.7
179.05580	1.9
179.10727	2.4
179.14418	3.1
181.12291	4.4
191.05605	2.7
195.13863	9.7
197.11818	28.7
198.12161	1.1
199.13388	3.0
205.12323	11.9
207.10304	5.3
209.11768	5.4
211.13370	4.9
223.13376	100.0
224.13800	6.8
225.11276	9.1
227.12845	1.2
235.08174	5.4
243.12480	1.1
245.19026	1.2
247.20604	1.1
253.09251	18.4
263.20114	2.5
273.18668	1.2
287.16867	1.3
289.18207	2.1
291.19626	21.5
292.20169	1.8
304.09476	1.1
307.19101	4.3
309.20688	60.7
310.21063	6.1
433.20261	1.4
459.22198	14.9
460.22882	2.7
527.28259	2.2
545.29504	3.4
653.32336	1.3
751.42548	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	809.4972
Annotation	Unknow
Peak:m/z	Relative Intensity
56.68857	54.6
61.98814	100.0
65.73804	55.8
71.53189	97.4
80.96487	63.9
81.28477	55.4
119.58402	64.2
125.76297	65.0
243.33073	64.3
277.21625	66.7
311.33713	56.6
332.10583	55.6
342.64810	59.3
401.20453	58.4
440.09137	62.9
669.30383	71.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	809.6296
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98520	0.4
61.98829	5.8
69.69711	0.5
69.70123	1.0
74.23307	0.2
79.95713	0.3
80.96516	0.9
82.95406	0.4
94.98095	0.3
127.32706	0.2
130.72144	0.2
147.42410	0.2
171.10274	0.5
192.72826	0.3
225.00650	0.3
248.03268	0.3
276.30914	0.2
277.51306	0.3
313.51541	0.2
329.46423	0.2
455.35251	100.0
456.35593	15.1
809.43988	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	809.4357
Annotation	Unknow
Peak:m/z	Relative Intensity
61.66162	0.7
61.98822	1.1
63.96223	2.5
65.15164	0.7
69.03439	0.9
70.25422	3.2
71.01383	10.9
72.99281	0.8
73.02944	2.5
78.95910	1.3
78.98586	7.5
79.95733	18.9
80.96514	100.0
81.03468	1.3
82.96099	1.6
85.02941	3.4
87.00880	3.9
94.97467	1.2
94.98077	22.4
96.95996	1.3
97.02938	2.4
99.00844	1.1
101.02448	1.7
104.67978	0.9
106.98110	4.1
122.97556	4.5
125.02448	3.7
127.04025	0.9
134.97572	7.3
136.99107	1.2
148.99142	7.3
152.98611	7.0
152.99670	1.5
164.98616	16.1
206.99684	3.3
209.11882	1.0
209.78535	0.8
225.00734	23.6
225.02950	1.5
226.01015	1.2
255.23288	1.4
283.26456	1.4
306.13116	0.8
431.59378	0.8
525.16528	1.6
565.30627	1.5
791.42493	4.5
809.43500	90.8
810.43896	20.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	809.4103
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	9.2
59.01350	13.5
61.98837	31.5
71.01364	11.9
71.09651	10.9
79.95686	6.5
85.02940	6.9
86.41953	4.5
87.00864	5.5
88.98811	8.4
93.03452	10.5
96.95997	19.1
97.02918	10.8
99.00771	4.6
101.02425	5.5
108.02160	4.7
109.02962	11.5
116.92873	7.4
123.04514	10.5
125.02443	51.2
127.19428	4.4
135.04518	8.9
137.02397	9.5
151.03955	21.1
161.02457	12.8
171.10245	10.9
173.04532	5.4
173.06134	5.4
175.03882	6.9
179.03442	9.0
191.05603	20.4
197.11801	29.8
201.11331	61.8
209.11830	87.1
225.11423	6.7
227.12837	16.6
235.08148	13.2
253.09341	39.2
289.07141	21.5
289.18039	11.7
291.19611	16.4
309.20685	100.0
310.21011	12.1
437.19870	8.1
445.20819	8.3
545.29773	11.7
552.53876	5.3
647.29126	6.4
716.95691	5.9
729.40619	15.3
809.40857	61.5
810.41138	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	807.4296
Annotation	Unknow
Peak:m/z	Relative Intensity
57.64423	4.8
59.01375	10.2
59.80268	4.5
60.35426	4.5
61.98831	35.8
66.17489	4.3
68.66479	4.2
69.97469	18.0
71.01377	15.7
78.95878	6.1
85.02950	5.0
87.00867	5.4
93.03432	11.6
96.95986	11.0
101.02427	6.3
109.02916	7.4
111.04468	5.0
125.02486	6.3
127.48301	4.4
133.02966	12.8
134.03732	9.3
135.04495	50.9
137.02437	7.9
137.67392	4.9
161.02458	13.2
171.10287	14.8
173.04555	16.6
179.03496	35.3
191.05614	38.4
195.13824	5.7
197.11778	6.9
201.11395	4.6
207.10120	6.2
209.11800	100.0
210.12177	5.2
223.13263	9.1
225.11305	16.0
225.39827	5.3
227.12866	18.7
237.86693	5.2
253.09227	20.5
275.20212	4.8
291.19653	15.7
293.21207	72.3
294.21332	4.8
352.07886	6.8
353.08591	16.0
445.20706	12.0
625.15729	5.6
645.28973	32.4
807.42786	48.4
808.44177	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	807.3939
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	19.3
61.98831	31.6
69.03453	3.9
71.01377	39.7
73.02942	3.9
83.01385	3.8
83.05022	8.4
85.02955	8.9
87.00859	3.6
89.02450	10.4
93.03462	5.2
95.01400	2.6
96.95995	6.5
97.02932	12.1
97.06609	3.6
97.95913	2.5
99.00885	6.7
99.11788	2.8
101.02453	14.7
101.43682	2.2
107.05057	3.1
109.02902	3.1
109.06586	28.4
111.00893	2.9
111.08155	5.7
113.02446	8.7
121.06601	3.6
125.02466	4.2
125.09709	8.2
133.02950	14.2
135.04514	26.9
135.08139	4.5
142.02756	4.3
151.11296	2.6
161.02428	22.6
161.04533	9.5
163.11276	25.1
165.12817	4.5
169.12296	4.9
171.10281	28.6
173.04521	6.9
179.03511	17.0
179.05658	2.6
179.10712	3.3
181.12323	8.6
185.11809	3.2
191.05608	46.1
192.05925	5.7
195.13853	2.6
197.11830	45.2
199.09665	14.1
199.13416	4.4
201.11264	8.6
205.08594	4.4
207.10237	89.9
208.10587	8.3
209.11815	100.0
210.12250	6.9
211.13356	6.9
215.12819	2.9
223.09760	11.2
225.11288	60.7
226.11595	3.1
227.12895	22.5
229.25508	3.1
235.08208	13.4
243.12277	2.8
245.18880	4.8
247.20706	3.2
253.09305	51.1
273.18399	2.8
275.20251	3.1
289.18182	20.0
291.19678	41.3
292.19925	5.8
293.21210	26.3
307.19177	20.2
308.19257	3.0
309.20688	97.8
310.21005	9.5
319.22742	33.4
353.08923	19.4
354.08984	2.9
407.19446	3.2
413.87915	2.6
423.46524	2.8
443.19104	3.6
459.18582	3.0
461.20410	15.4
462.21198	3.2
515.11163	3.1
608.22137	3.5
645.29181	7.7
711.39514	3.9
727.39172	3.2
735.39386	7.7
753.40674	35.2
754.40759	11.3
771.41681	3.3
807.33435	8.3
807.39197	8.8
808.39856	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	805.5105
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03465	0.3
59.01370	2.4
61.98829	4.0
70.75907	0.6
71.01379	2.2
73.02959	0.3
74.08172	0.2
80.96518	0.4
82.95419	0.3
84.95110	0.3
85.02948	0.4
87.00875	0.4
89.02442	2.0
93.03522	0.3
101.02435	2.1
111.08156	0.3
112.98555	0.4
113.02400	1.1
113.09745	0.4
119.03516	0.5
129.79486	0.2
142.56393	0.2
161.04512	1.3
161.09778	0.2
167.10719	0.3
169.61334	0.2
179.14430	0.6
195.13882	8.7
196.14473	0.7
199.28186	0.2
205.12296	0.6
205.15953	0.3
211.13362	0.6
223.13385	5.6
223.15565	0.4
224.13770	0.4
225.14978	0.3
228.13596	0.7
231.21284	0.5
235.08220	0.5
253.09265	16.6
254.09604	0.6
256.13116	1.0
265.21729	0.3
275.20154	5.3
275.23154	0.3
276.20428	0.7
293.21207	100.0
294.21518	8.6
492.22168	0.5
529.30273	1.1
531.94525	0.3
569.41974	1.4
750.07019	0.3
805.40698	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	805.4202
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	2.1
59.01372	13.5
61.98827	16.3
69.03448	1.8
69.26911	13.1
69.27319	3.5
69.55222	1.5
71.01376	100.0
72.99319	2.5
73.02918	2.1
81.03481	2.2
83.01366	3.2
83.05018	4.4
83.54429	1.7
85.02953	3.4
86.35393	1.6
87.00854	5.2
89.02411	4.7
93.03434	2.8
95.05058	2.1
96.96020	9.2
97.02930	4.4
97.06569	3.5
98.20594	2.6
100.45257	1.8
101.02447	8.4
109.06589	6.3
111.04488	1.8
112.98595	2.1
113.02430	4.3
116.92842	3.8
123.04520	2.4
123.08123	2.3
125.02515	1.8
125.09719	15.4
135.04507	5.7
137.02525	2.9
139.11122	1.8
151.11259	1.9
161.04510	3.4
163.11270	6.0
165.79495	1.6
167.10765	2.3
167.99374	1.7
171.10251	73.1
172.10600	3.1
173.04596	1.8
179.03523	1.8
179.10754	2.0
181.12326	3.1
185.11795	4.7
187.09732	9.9
191.05565	7.0
191.14326	2.3
197.11760	9.7
199.09756	5.4
199.13414	2.4
201.11296	11.2
205.08679	3.6
207.10188	12.5
209.11798	15.9
211.13298	3.6
223.09711	5.4
223.13380	7.9
225.11281	16.9
227.12952	5.3
235.08101	4.8
245.19044	6.0
253.09297	15.6
263.20160	1.7
265.59851	1.6
271.16895	1.8
289.18097	16.4
290.18387	2.8
291.19528	9.2
307.19125	15.7
309.20816	7.7
327.21716	5.8
353.08798	3.0
433.55652	1.7
461.19547	1.9
545.29755	2.5
655.09937	1.9
769.41443	5.0
805.40710	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	805.3778
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	11.7
61.98828	53.7
70.77048	3.4
71.01382	53.4
71.62031	6.2
87.00892	6.0
88.97616	3.8
88.98811	9.8
89.02427	7.9
96.96005	8.6
97.02946	5.0
99.00854	8.6
101.02469	9.0
109.03018	3.7
109.06572	7.0
111.00895	12.7
113.02417	5.0
117.53622	3.9
119.03539	4.4
125.02449	5.7
125.09721	7.2
137.02440	4.1
152.39810	3.4
154.17961	3.6
163.11284	9.3
169.12335	5.0
171.10284	18.8
178.44933	3.6
181.12344	16.6
185.11789	7.8
191.05641	7.4
197.11783	16.0
199.09714	4.4
199.13382	6.3
207.10219	48.7
208.10431	4.3
209.11842	23.1
211.13432	7.5
225.11298	100.0
226.11771	7.7
227.12737	4.5
235.08282	6.5
243.12323	9.8
253.09322	15.3
263.19940	4.7
289.18036	30.3
291.19592	5.4
293.21075	4.3
296.39966	4.0
300.96545	3.4
307.19070	26.1
308.19333	4.2
309.20667	10.3
311.22241	23.3
345.42050	3.6
461.20193	29.5
462.21405	3.5
605.38446	4.4
655.48242	4.0
751.39038	13.4
769.39819	7.1
805.38220	16.5
806.38452	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	805.3625
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03433	4.3
58.00588	2.1
59.01137	1.9
59.01378	21.3
59.76249	1.2
61.98826	9.4
69.03445	3.7
69.80202	1.3
71.01378	97.4
71.04990	4.5
71.48481	1.4
73.02930	5.1
78.95916	2.1
79.95726	2.8
80.02676	2.9
81.03459	2.9
82.95393	7.1
83.01402	3.7
83.05023	8.2
84.02127	2.1
85.02953	8.7
87.00864	6.4
89.02449	7.3
93.03458	2.5
95.05006	5.3
96.96004	95.0
97.02949	10.2
97.06559	5.7
98.20731	2.8
98.95562	3.9
99.00873	18.8
101.02433	14.7
107.04993	1.8
109.06583	26.4
110.03727	1.7
111.04527	1.6
112.98473	1.4
113.02422	7.7
114.05615	1.4
116.92840	3.2
119.03448	2.6
121.06588	2.1
123.04517	3.1
123.08157	2.0
125.02494	3.2
125.09725	12.0
127.11247	3.9
135.04492	2.9
135.08148	4.9
137.02405	2.6
137.09711	2.1
142.02655	1.6
145.05003	2.2
145.10120	1.5
151.11208	2.1
155.10687	2.6
161.02368	3.9
161.04514	5.3
161.09688	4.0
163.11264	23.4
171.10258	69.2
172.10594	3.3
179.05646	3.6
179.10776	2.8
181.10796	2.8
181.12320	31.3
181.13873	2.1
185.11810	4.4
189.01907	1.6
191.05576	6.7
193.12228	1.7
197.11794	15.7
199.09712	6.2
199.13388	23.3
201.11327	25.4
205.08636	5.3
207.10246	87.0
208.10687	4.0
209.11813	92.2
210.12114	6.3
211.13368	11.3
221.11792	2.0
223.09735	10.1
225.11301	100.0
226.11670	5.6
227.12926	15.8
229.01320	1.5
229.14392	5.4
231.15967	3.5
235.08315	11.4
239.12721	1.8
243.12346	38.8
247.09512	1.4
253.09244	33.2
254.09663	2.0
275.15076	1.6
289.07129	1.6
289.17984	2.0
291.19562	1.9
307.19269	1.8
309.20828	4.1
323.18503	3.2
325.20212	14.2
327.21777	28.9
328.21893	3.0
341.23297	5.4
397.20728	2.1
443.19247	3.7
459.19113	1.8
461.20264	19.8
479.21362	21.6
493.22714	2.1
511.24097	3.7
566.24866	1.9
633.31177	8.4
651.30072	3.2
665.33771	14.4
666.33972	4.6
669.31335	7.2
670.31860	2.1
687.31970	16.1
688.32526	4.0
719.34991	3.6
775.60303	1.8
805.36322	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	803.4431
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	2.9
59.01383	8.5
61.98827	15.5
67.30212	1.1
68.99540	1.5
69.03471	1.2
70.71937	1.6
70.72259	1.2
70.92206	0.9
71.01376	12.6
71.05029	2.0
73.02961	1.5
78.95908	1.8
79.95743	2.5
81.03466	2.2
83.04587	1.7
83.05003	8.1
84.02170	1.9
85.02959	4.9
87.00899	2.6
89.02448	5.3
93.03461	3.0
95.05049	2.1
96.96008	73.2
97.02967	2.1
97.06586	3.6
99.00858	2.4
101.02466	7.0
109.02966	1.8
109.06580	9.6
111.04483	1.4
112.98550	1.5
113.02456	3.4
116.92847	1.3
123.08129	1.1
125.02444	2.8
125.09729	3.0
127.11311	1.3
128.03583	1.1
135.04518	2.5
137.02391	1.6
151.11296	1.6
161.02347	1.3
161.04483	1.9
163.11276	5.8
165.12840	2.9
169.12349	8.0
170.12718	1.3
171.10243	17.2
172.10609	1.2
173.04572	2.6
179.10767	1.3
181.12331	3.2
191.05602	8.6
191.10773	2.2
193.12326	1.9
197.11789	13.9
198.12134	2.2
199.09734	1.9
199.13428	4.5
201.11298	3.8
207.10222	7.8
209.11816	100.0
210.12178	5.8
211.13344	9.2
223.09755	1.3
225.11325	8.3
225.14998	1.9
227.12883	13.6
228.13194	1.2
235.08298	6.3
235.13313	2.7
237.14989	5.0
253.09297	14.2
283.03052	1.1
289.18103	4.0
291.19717	1.4
307.19092	5.7
325.20175	39.1
325.24048	2.3
326.20627	3.5
341.23248	4.2
342.23813	1.2
367.30432	1.2
405.21143	1.2
445.20615	3.6
461.19751	1.2
561.28961	1.2
785.40601	1.5
803.44122	12.4
804.44946	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	803.4428
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	2.6
59.01372	9.4
61.98827	6.6
67.01894	0.8
69.03448	1.9
69.95287	3.3
71.01381	23.9
72.99287	0.9
73.02945	3.0
73.73872	0.6
80.02659	2.1
81.03442	3.6
83.01387	2.5
83.05024	7.2
84.02157	1.3
85.02943	2.5
87.00874	2.8
89.02445	5.5
91.03976	0.7
93.03450	0.9
95.01395	1.0
95.05006	2.1
96.96021	4.2
97.02949	4.2
97.06556	3.8
98.20533	1.0
99.00861	2.4
101.02438	6.1
109.06591	6.5
110.03704	0.7
111.08138	2.2
113.02430	3.1
119.03487	1.3
123.04521	2.0
123.08089	0.8
125.06046	1.4
125.09727	5.4
127.11303	1.8
131.88133	0.7
135.08121	1.8
136.91519	0.6
137.09703	1.8
139.07594	0.8
143.03456	0.9
145.05020	1.4
151.11295	1.2
153.12814	0.9
161.04631	3.5
163.11278	12.7
165.12830	4.7
167.10721	1.7
171.08783	1.4
171.10268	28.4
172.10753	0.9
179.05598	1.1
181.12335	6.2
185.11855	5.6
189.09198	0.9
191.05602	1.3
191.10745	1.8
191.14392	2.1
197.11823	9.0
199.09702	1.1
199.13391	2.4
201.11278	9.8
203.47635	0.6
207.10260	20.8
208.10510	1.3
209.11809	100.0
210.12119	5.9
211.13387	3.3
215.12834	0.8
223.13419	0.7
225.11304	28.1
225.13541	1.4
226.11636	1.7
227.12875	11.5
235.08139	4.5
237.11182	1.1
243.12335	2.7
245.19093	5.6
246.19673	0.8
247.20715	1.4
253.09283	17.5
257.49744	0.8
263.20123	2.3
279.19711	0.8
289.18073	16.6
290.18481	1.2
291.19638	18.0
292.20050	1.8
292.78186	0.7
302.48123	0.8
307.19144	14.1
308.19446	1.5
309.20697	31.9
310.20993	2.9
445.20370	0.8
461.20316	5.2
479.21353	1.6
633.31610	1.1
687.31934	2.5
753.40387	2.4
754.40753	1.2
785.36261	0.8
803.42932	1.3
804.40625	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	800.3916
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	0.1
61.98828	100.0
62.98534	0.3
62.99257	0.1
70.72458	0.2
71.01382	0.1
79.95716	0.1
93.03465	0.1
96.96030	0.3
113.02393	0.1
147.04518	0.1
150.96707	0.1
156.45393	0.1
164.01227	0.1
191.05537	0.5
200.68993	0.1
209.11879	0.1
437.74567	0.1
757.35187	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	802.422
Annotation	Unknow
Peak:m/z	Relative Intensity
57.78415	0.2
59.01402	0.1
61.98827	100.0
62.98514	0.1
66.16762	0.2
70.88620	0.3
80.96513	0.4
83.04993	0.2
205.47649	0.2
209.11894	0.2
260.43295	0.2
310.20917	0.2
342.16656	0.2
673.36029	0.2
803.39520	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	802.4226
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98827	100.0
62.98536	0.2
66.82959	0.1
69.39092	1.0
69.39509	0.4
71.01408	0.2
78.95907	0.4
79.95758	0.3
80.96510	0.3
96.96049	0.2
131.04276	0.2
146.80908	0.2
171.10397	0.1
225.00949	0.2
277.21802	0.2
279.23425	0.2
293.21350	0.6
295.22739	0.3
311.22385	0.4
414.52881	0.2
803.38342	0.2
808.59943	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	803.1287
Annotation	Unknow
Peak:m/z	Relative Intensity
56.17687	0.4
57.03448	0.5
59.01366	2.9
61.98825	0.6
66.25817	0.3
67.01881	0.9
71.01371	1.7
78.95906	0.6
79.95716	1.0
81.03474	0.6
83.05065	0.4
85.02942	3.0
87.00861	1.1
93.03446	5.8
93.44821	0.4
96.96004	7.9
98.95594	1.9
99.00852	0.4
101.02439	0.4
107.04977	0.4
108.02176	0.6
109.02935	1.5
111.04493	1.0
115.00374	0.8
117.03503	0.5
119.27662	0.4
121.02985	0.5
122.03666	0.7
123.04515	0.9
124.01694	0.5
125.02428	1.9
127.03984	0.9
133.02948	3.4
134.03700	1.3
135.04520	12.6
136.04854	0.5
137.02405	2.5
139.04018	0.5
143.04987	1.6
147.04509	0.5
150.03218	1.0
151.04004	1.3
155.03465	0.6
157.06473	0.8
159.04404	0.5
159.08147	0.7
161.02478	1.7
161.06039	0.4
165.01949	0.7
167.04973	0.4
173.04535	6.5
175.03955	0.5
177.01900	1.3
178.02663	1.3
179.03494	5.3
181.06554	1.2
183.04602	0.6
183.08150	1.5
185.06055	6.5
186.06410	0.7
187.86682	0.4
189.01860	1.2
190.02605	0.5
191.05594	31.6
192.05945	2.5
193.06139	0.5
197.05939	0.8
199.07510	0.6
208.05305	0.6
209.06036	5.3
210.06381	0.6
211.03998	1.6
212.04726	1.3
215.05411	0.5
217.01411	0.7
219.02870	0.5
225.05481	4.9
227.07114	28.2
228.07361	1.8
231.06888	0.6
239.06685	2.7
239.56802	0.6
240.06679	0.4
241.04971	0.5
242.05840	0.7
253.05032	66.2
254.05374	5.8
255.06540	0.6
255.74690	0.4
267.06604	0.6
268.07181	0.5
269.08176	1.5
270.08655	0.5
271.06082	92.6
272.06421	6.6
289.06693	0.4
294.05157	0.6
295.06168	0.6
307.08063	0.5
308.08990	1.1
339.05518	0.5
339.12476	0.9
341.06665	2.5
342.07120	0.4
349.09610	1.1
350.09760	0.9
351.01755	100.0
352.02081	9.1
352.07727	3.2
353.08728	11.7
354.09125	1.0
365.17520	0.5
367.15662	0.5
379.99475	0.4
381.17395	0.5
388.74130	0.4
399.18521	1.9
400.18582	0.6
402.07108	0.5
451.10159	3.0
452.10312	0.5
455.13153	1.1
559.27014	0.5
579.37006	0.4
605.88727	0.4
611.17480	0.7
629.18732	1.0
706.17841	1.9
803.23773	4.8
804.24554	0.7
804.38159	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	799.1927
Annotation	Unknow
Peak:m/z	Relative Intensity
58.67155	0.2
59.01375	37.7
60.01712	0.4
63.88976	0.2
65.00311	0.3
70.42931	0.8
71.01385	0.5
72.08875	0.2
75.00883	0.5
75.02381	0.3
79.95731	0.3
83.01382	0.4
85.02962	0.8
86.30974	0.2
87.00893	0.2
91.01891	10.3
91.64516	0.2
92.02198	0.3
93.03452	22.6
94.03790	0.7
95.01367	0.4
96.96021	0.9
97.03023	0.3
101.02444	0.2
107.05019	1.4
108.02143	0.7
113.02436	0.6
119.01377	4.1
121.02953	11.0
122.03286	0.3
123.04486	0.5
125.02468	0.3
133.02980	0.6
135.04500	0.6
136.01636	0.7
137.02435	40.0
138.02783	1.5
142.06654	0.3
143.03413	0.3
149.02406	0.7
151.03996	100.0
152.04323	4.1
153.94554	0.2
161.02438	0.8
173.04541	0.4
175.03964	0.3
179.03462	1.4
191.05583	2.6
193.04881	0.3
204.06888	0.2
231.90695	0.2
233.04568	0.3
263.05612	1.9
281.06647	18.2
282.06982	1.4
282.99127	0.3
284.02255	0.3
323.07660	7.1
324.08102	0.7
353.08603	0.4
399.18405	1.0
515.12146	0.2
693.73022	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	798.4277
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01366	0.4
61.98827	100.0
62.22571	0.2
69.27218	0.3
71.01390	0.4
80.96516	1.4
116.92905	0.5
171.10294	0.3
191.05598	0.4
224.13654	0.4
225.00824	0.3
229.18022	0.3
262.40613	0.2
277.21790	0.8
294.21585	0.3
312.82581	0.2
315.61929	0.3
415.32687	0.3
798.43494	1.0
799.43414	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	798.4275
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98825	100.0
62.98539	0.2
71.01419	0.1
71.61480	0.1
80.96526	0.3
116.51997	0.1
148.40312	0.1
171.10330	0.3
181.51685	0.1
191.05605	0.1
209.11914	0.4
224.13612	0.2
225.11391	0.2
253.09302	0.2
270.63293	0.1
277.21841	0.3
292.19986	0.1
293.21393	0.2
294.21304	0.2
309.20734	0.2
337.39908	0.1
730.62286	0.1
746.51532	0.1
798.43939	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	797.556
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	0.7
59.01364	0.5
61.98830	2.2
69.03464	0.5
70.04639	1.3
70.81440	0.4
71.05016	0.6
78.91887	0.5
80.02641	0.5
83.04994	0.5
83.84204	0.4
93.03408	0.4
95.04987	0.4
96.95992	5.4
97.02937	1.5
97.06576	0.4
98.03725	0.4
98.20526	0.5
99.00874	0.7
111.08135	0.8
113.09632	0.5
125.06030	0.6
125.09681	1.1
137.09641	0.4
141.05881	0.4
141.12843	0.4
151.04008	1.9
151.07639	3.5
152.08401	3.2
162.10408	0.8
163.11253	2.6
165.09250	0.7
165.12822	4.0
171.10204	2.1
177.12814	0.7
179.03540	0.5
179.14381	1.6
181.12257	1.3
184.07339	0.5
191.05544	1.4
193.08615	0.4
193.15857	1.0
195.10170	0.8
197.11824	2.7
207.10196	0.4
209.11743	1.4
209.15417	5.3
211.13423	0.6
223.13370	1.9
247.20624	4.3
252.09979	0.7
265.18036	1.1
273.18515	1.4
290.87683	0.5
291.19620	44.6
292.19888	3.5
293.30792	0.4
309.17075	12.2
309.20621	100.0
310.17514	1.0
310.20999	10.0
324.76993	0.4
337.21487	0.5
437.30267	0.8
457.09177	0.4
469.33533	2.2
470.33517	0.6
487.34235	17.5
488.34616	3.8
497.94479	0.4
553.26587	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	797.4174
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	3.0
60.99295	0.6
61.98827	6.7
69.60979	2.2
71.01380	1.9
72.99299	0.8
73.02945	0.5
75.00861	0.4
78.95896	0.6
80.02661	1.0
81.03442	1.2
82.92716	0.4
83.01398	0.4
83.05015	3.7
84.02161	0.6
85.02957	0.7
87.00902	0.3
88.98796	4.4
89.02418	1.7
93.03460	0.5
95.01392	0.4
95.05022	0.8
96.96001	2.5
99.57831	0.4
101.02440	1.6
113.02454	1.6
116.92876	0.5
119.03550	0.5
125.02459	0.6
125.46294	0.3
135.04591	0.5
135.08138	0.6
137.02455	0.3
143.03522	0.3
151.03984	0.7
159.61142	0.3
161.02435	0.7
161.04536	0.8
163.11298	2.5
165.12843	2.0
168.42342	0.3
168.76672	0.4
171.10211	1.1
173.04494	0.4
181.12350	0.4
191.05602	1.2
191.10767	0.9
209.11810	100.0
210.12143	6.6
227.12865	15.1
228.13173	0.6
235.08249	2.0
237.07712	0.6
243.06529	0.4
247.13335	0.5
251.13026	0.6
253.09268	4.7
289.07111	0.4
385.18481	0.3
445.20804	5.5
446.20993	0.7
463.21951	0.8
637.32471	1.4
655.33069	0.7
690.96503	0.4
753.40796	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	796.4973
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	3.2
61.98826	100.0
63.99259	0.3
71.01382	0.7
71.61752	0.5
75.00874	1.0
78.95896	9.6
79.95736	0.8
80.02692	0.5
80.96516	4.2
81.03456	0.9
83.01379	1.2
83.05004	1.7
84.02205	0.7
94.98083	0.9
96.96973	0.5
97.06648	0.5
101.02454	0.4
116.50515	0.3
125.00112	0.9
125.06049	0.5
125.09718	1.3
134.97630	0.4
135.08090	0.4
148.99246	0.4
152.99568	1.8
163.11284	1.3
164.98598	0.4
165.12909	1.0
168.04323	1.6
169.66748	0.3
171.10266	1.0
191.10776	1.6
197.11909	0.5
199.09824	0.4
209.11810	16.6
210.12280	1.0
223.13358	2.2
224.06934	1.1
225.00856	1.5
225.02811	0.3
225.11330	0.6
226.12088	1.6
227.12770	1.9
241.01216	0.4
241.14420	11.6
242.14783	0.8
254.41582	0.3
255.23271	21.5
256.23672	1.8
281.24899	1.2
419.25882	0.6
480.31143	0.9
619.36090	2.1
645.38416	1.0
646.37848	0.4
690.43579	1.3
704.44983	13.8
705.45245	2.6
722.45990	8.9
723.46576	2.0
779.39380	2.1
797.40009	5.5
828.80048	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	795.5413
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03421	1.1
59.01367	2.9
59.28056	0.7
61.98821	8.1
68.20573	0.6
69.03445	0.9
71.68710	0.6
74.67362	0.6
75.22958	0.7
80.34168	0.6
80.96528	1.1
81.03452	2.2
83.01376	2.0
83.05035	1.2
84.83279	0.6
93.03420	0.8
95.05019	1.8
96.96004	8.0
97.02917	1.5
97.06588	3.3
123.04526	1.9
123.08176	1.5
125.02457	0.9
125.09733	5.9
136.61655	0.6
137.09680	2.6
141.12781	0.9
149.06104	0.8
163.11279	4.8
165.12857	1.0
171.10226	1.6
179.10663	1.0
181.12283	0.9
185.11780	4.8
186.85703	0.7
191.05623	0.7
191.10690	1.7
191.14372	5.8
197.11795	0.9
207.10225	3.0
209.11809	31.0
210.12132	1.7
211.13329	1.4
225.11266	3.1
237.76241	0.7
245.19101	10.4
246.19492	0.9
263.20096	1.6
271.17041	0.7
289.18066	39.8
290.18396	3.5
291.19427	0.7
293.21191	0.8
307.19116	51.2
308.19440	4.7
487.34253	100.0
488.34561	15.1
728.86694	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	796.4695
Annotation	Unknow
Peak:m/z	Relative Intensity
56.80532	0.2
60.18689	0.1
61.98825	100.0
62.98542	0.2
63.96218	0.2
67.87157	0.1
69.72639	0.1
70.88972	0.3
71.01389	0.5
73.02948	0.2
78.95911	0.3
78.98598	0.7
79.95721	1.4
80.96512	7.4
85.02978	0.2
87.00877	0.3
94.98078	1.7
101.02450	0.3
106.98109	0.3
109.26779	0.2
122.97575	0.3
125.02467	0.4
129.14243	0.2
134.97552	0.4
136.99184	0.2
145.91315	0.1
148.99142	0.5
152.98608	0.7
158.27164	0.2
160.04463	0.1
164.98595	1.1
209.11781	0.3
210.12309	0.2
225.00726	2.0
255.23325	0.5
256.23642	0.3
257.23856	0.2
288.88547	0.1
511.94183	0.1
541.19452	0.2
629.32837	0.2
779.38879	0.7
796.42346	0.7
797.43396	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	795.4531
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	11.9
61.98819	9.5
69.03432	2.0
69.57332	5.4
69.57755	1.9
71.01374	4.1
73.02929	1.3
73.88992	1.0
78.95901	1.4
80.96519	1.0
87.00864	1.5
89.02447	3.5
96.96033	1.2
101.02427	4.7
113.02439	2.3
114.85979	1.1
119.15214	1.0
161.04581	1.8
167.10713	1.9
171.10236	3.8
179.10788	1.3
179.14346	3.3
191.05600	1.3
195.13890	12.0
197.11780	1.0
205.12289	10.2
223.13373	100.0
224.13716	7.1
225.11174	1.7
235.08159	5.9
235.95070	0.8
253.09254	15.5
263.28384	1.0
275.20093	5.7
277.21811	4.8
279.22452	1.2
293.21219	76.8
294.21570	7.7
458.11243	0.9
459.22375	18.7
460.22473	2.1
514.52118	1.4
529.29761	2.6
575.27771	1.0
735.43915	5.4
736.43872	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	795.4533
Annotation	Unknow
Peak:m/z	Relative Intensity
56.35978	1.2
59.01377	12.6
61.98833	8.9
66.36572	1.1
69.03459	2.1
71.01378	7.0
71.09444	2.9
73.48971	1.2
85.02973	2.1
89.02474	2.5
95.93954	1.2
99.12302	1.2
101.02448	5.0
109.06607	1.8
113.02438	2.8
161.04555	2.2
167.10741	2.5
171.10246	5.5
179.14368	4.3
195.13875	12.0
199.09727	3.2
199.13428	1.5
201.11287	4.7
205.12325	11.4
206.79712	1.2
207.10199	3.4
209.11832	1.7
211.13448	1.2
216.91261	1.6
223.13371	100.0
223.67461	1.5
224.13718	6.9
225.11301	3.0
235.08179	5.4
253.09283	17.8
273.59015	1.3
275.20172	5.2
277.21588	9.1
278.22180	2.6
293.21231	76.0
294.21561	8.0
325.90414	1.3
459.22232	16.5
529.30078	2.1
551.82379	1.5
672.76758	1.6
731.39838	1.4
735.42999	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	793.4149
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01361	12.3
59.30902	7.2
60.17151	7.1
61.98825	77.4
64.62221	6.2
69.42064	44.9
71.01378	14.7
78.95904	9.5
79.95724	11.2
80.96512	7.8
93.63788	6.2
96.95998	100.0
116.92850	25.3
123.20089	8.1
125.02410	8.7
126.41428	6.6
171.10193	13.6
191.05557	15.6
197.11838	42.7
209.11832	9.4
225.11273	13.5
229.19176	7.4
235.08261	10.1
253.09196	14.3
293.21216	20.0
309.20724	16.8
487.34143	10.9
737.41412	13.1
757.40674	10.1
793.40881	39.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	793.4151
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	14.2
61.98827	90.2
64.28168	5.6
70.89066	11.4
71.01364	13.4
79.93849	5.8
79.95741	8.7
91.80173	5.5
96.96009	100.0
101.02444	6.2
116.92847	23.1
125.02420	10.6
151.04045	8.0
169.12381	6.2
171.10229	21.8
191.05635	9.5
197.11800	36.9
198.12064	6.9
202.42938	5.9
204.43002	6.5
209.11671	7.4
225.11348	15.2
253.09212	12.2
293.21182	22.2
309.20792	13.0
543.82825	6.5
556.92480	7.5
755.41907	6.6
793.40765	43.0
794.41376	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	793.2423
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	0.3
59.01369	1.3
60.46033	0.1
60.99303	0.2
67.01879	0.6
69.03445	0.2
70.61763	0.2
71.01366	0.8
73.02949	0.3
80.01775	0.1
81.03449	0.3
83.05013	0.4
85.02946	6.9
86.03275	0.2
87.00863	1.5
88.63623	0.1
89.03978	0.2
93.03456	4.5
96.95967	0.2
99.04523	0.3
109.02924	0.7
111.04517	1.4
111.80219	0.1
117.03461	1.1
123.04561	0.1
125.02404	0.2
125.36571	0.1
127.03992	1.8
134.03732	13.3
135.04106	0.5
137.02417	0.5
148.29744	0.1
149.02397	0.1
149.06087	1.1
155.03503	0.8
161.02466	0.2
163.04060	0.2
165.50587	0.1
171.03032	0.4
173.04532	11.1
174.04869	0.2
177.04120	0.2
191.05594	100.0
192.05946	4.3
192.30032	0.1
193.05029	17.2
194.05392	1.1
207.06898	0.2
207.08850	4.2
224.05489	1.1
233.06693	0.2
353.08554	0.2
356.63202	0.1
367.10294	9.0
368.10495	0.9
425.13135	2.4
426.13507	0.3
441.17023	0.1
450.42816	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	791.4049
Annotation	Unknow
Peak:m/z	Relative Intensity
56.98207	1.2
59.01369	14.4
61.98825	8.4
71.01374	47.8
73.02985	1.8
79.80222	1.2
81.03448	1.6
83.01396	1.5
83.04997	2.9
84.10548	1.2
85.02951	2.0
87.00886	2.6
89.02437	3.5
96.95983	2.3
97.02911	3.8
99.00896	1.9
101.02438	5.8
109.02968	1.7
109.06585	16.4
110.03721	2.0
113.02445	2.4
125.02454	2.9
125.09710	1.4
125.39940	1.8
127.11285	2.3
163.11290	9.9
165.01842	1.3
171.10248	100.0
172.10577	4.9
181.12331	3.1
185.11847	1.7
191.05557	2.9
197.11763	3.1
199.79440	1.4
200.13333	1.3
201.11281	5.4
207.10228	45.7
208.10550	2.2
209.11821	11.7
225.11298	28.8
226.11604	1.9
227.12791	2.4
235.08083	5.3
243.12341	2.5
253.09253	12.5
291.19620	8.6
293.21164	2.7
315.19495	5.4
329.23291	1.3
443.19211	2.7
461.20377	10.3
538.14679	1.3
597.29248	2.9
614.66827	1.5
615.30200	10.7
616.30280	3.5
789.86194	1.6
791.39191	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	791.435
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98828	33.1
68.99567	8.7
69.67260	12.5
85.68612	9.3
98.19833	22.2
133.03734	9.1
134.39378	8.9
152.99559	12.1
182.19852	9.4
204.30157	10.5
209.11766	97.1
227.12878	22.1
229.38161	15.8
235.08032	14.1
277.21698	100.0
415.87015	13.3
539.49957	10.3
791.43408	41.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	789.4276
Annotation	Unknow
Peak:m/z	Relative Intensity
56.40443	1.2
57.03431	4.1
57.93268	1.1
58.00597	1.4
59.01379	13.7
61.98819	7.1
69.03419	1.7
69.95731	2.8
69.96149	3.5
71.01377	100.0
72.01725	2.0
73.02938	4.3
80.02702	1.8
81.03443	3.0
83.01383	1.1
83.05023	6.5
83.76263	1.0
84.02161	1.4
85.02940	4.8
87.00854	5.0
89.02436	8.0
89.88602	1.2
93.29585	1.1
96.96000	18.9
97.02943	3.7
97.06602	2.9
99.00876	2.1
101.02448	7.8
109.06549	6.8
111.08135	4.8
113.02438	4.8
116.92793	1.6
119.03506	2.1
121.06413	1.0
123.04530	2.1
123.08115	1.6
125.09721	8.0
127.11262	4.5
133.34660	1.3
135.08167	1.5
137.09697	2.5
140.00124	1.2
145.05019	1.5
151.11266	2.3
153.09196	1.5
155.10760	2.5
158.63350	1.3
161.04562	3.9
161.09637	1.7
163.11266	7.3
165.09106	1.9
165.12805	4.9
169.12325	4.5
171.10252	81.8
172.10568	3.0
181.12259	2.5
185.11844	5.8
191.05588	4.3
191.14330	2.0
193.12283	1.7
197.11819	31.7
198.12167	2.3
199.09776	10.4
199.13390	2.8
201.11301	61.5
202.11662	1.8
207.10245	16.8
208.10616	1.6
209.11813	76.4
210.12115	5.1
211.13351	4.7
215.12801	2.0
216.68053	1.2
223.13139	1.2
225.11273	21.3
226.11571	2.2
227.12886	10.1
235.08173	8.5
243.12285	2.2
245.19061	4.0
247.20482	1.5
253.09245	27.8
254.09610	2.5
263.20120	3.3
289.18051	16.0
291.19650	24.3
292.19913	2.1
307.19119	16.4
308.19684	1.6
309.20688	47.5
310.21045	5.5
343.24771	3.1
435.18356	1.8
461.20053	3.6
753.40546	1.8
771.42365	1.4
789.42920	8.7
790.44434	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	789.3829
Annotation	Unknow
Peak:m/z	Relative Intensity
56.99437	7.6
59.01374	16.4
61.98832	73.2
62.27090	6.5
66.92574	7.2
71.01381	57.5
71.62148	13.1
76.76591	6.7
88.98786	32.9
89.02430	13.6
93.00112	6.8
96.96003	100.0
101.02400	7.8
125.02428	7.5
161.02368	9.2
163.11252	10.6
169.12291	14.6
171.10260	49.7
181.12358	11.0
185.11774	13.2
191.05554	21.3
197.11823	25.1
201.11307	14.6
207.10228	29.1
209.11842	55.9
210.12088	9.5
210.21455	7.3
225.11263	59.5
227.12906	12.0
230.64558	8.2
235.08171	11.2
253.09151	22.7
291.19611	28.4
293.20880	12.7
309.20645	35.7
311.22263	39.0
327.21777	11.9
461.20508	16.0
635.95618	7.1
640.88190	7.9
753.41144	40.4
753.53369	8.1
754.41302	7.3
789.37860	85.9
790.38660	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	789.3829
Annotation	Unknow
Peak:m/z	Relative Intensity
56.99437	7.6
59.01374	16.4
61.98832	73.2
62.27090	6.5
66.92574	7.2
71.01381	57.5
71.62148	13.1
76.76591	6.7
88.98786	32.9
89.02430	13.6
93.00112	6.8
96.96003	100.0
101.02400	7.8
125.02428	7.5
161.02368	9.2
163.11252	10.6
169.12291	14.6
171.10260	49.7
181.12358	11.0
185.11774	13.2
191.05554	21.3
197.11823	25.1
201.11307	14.6
207.10228	29.1
209.11842	55.9
210.12088	9.5
210.21455	7.3
225.11263	59.5
227.12906	12.0
230.64558	8.2
235.08171	11.2
253.09151	22.7
291.19611	28.4
293.20880	12.7
309.20645	35.7
311.22263	39.0
327.21777	11.9
461.20508	16.0
635.95618	7.1
640.88190	7.9
753.41144	40.4
753.53369	8.1
754.41302	7.3
789.37860	85.9
790.38660	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	787.4478
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	1.1
58.00585	1.0
59.01372	6.5
59.39369	0.5
61.98816	2.0
69.03452	1.6
69.06634	0.5
69.70181	2.8
71.01376	15.9
72.99325	0.6
73.02922	1.1
75.00895	0.5
75.85055	0.4
80.02663	0.9
81.03436	1.6
83.01379	1.1
83.05015	4.6
84.02173	0.9
85.02930	1.8
87.00864	2.7
89.02449	3.6
93.03481	0.6
94.34396	0.6
95.05025	1.3
96.96000	4.6
97.02941	2.7
97.06572	1.4
98.95594	0.7
99.00820	0.7
99.15145	0.5
101.02419	4.1
109.06567	1.5
111.04527	0.5
111.08149	3.9
113.02438	2.9
115.30827	0.5
119.03493	1.0
123.04523	0.6
123.08199	1.0
125.02443	0.7
125.06046	0.9
125.09699	3.6
127.11313	0.9
135.08185	1.1
137.02437	0.6
137.09673	0.5
143.03421	0.6
145.05048	0.9
149.09677	0.5
151.11301	1.1
153.09230	0.6
161.02472	0.5
161.04532	1.3
163.11296	5.0
165.12825	3.1
167.10739	0.7
169.12308	5.4
171.10260	12.9
181.12349	3.2
185.11803	1.6
187.09769	2.1
191.05574	1.2
191.10767	1.5
191.14305	0.6
193.12329	0.6
197.11809	20.5
198.12160	1.3
199.09717	2.4
199.13342	1.8
201.11302	3.3
202.11656	0.6
207.10199	4.0
209.11803	100.0
210.12148	5.6
211.13359	3.5
213.11293	1.2
215.12914	1.0
216.52805	0.5
223.09740	1.6
225.11304	4.3
227.12859	13.7
228.13167	0.9
235.08211	5.4
243.12309	0.7
245.19211	0.9
247.20686	1.0
249.14964	1.4
253.09253	15.1
263.20068	1.0
273.18423	0.8
289.18048	3.6
290.18521	0.7
291.19644	18.3
292.19992	1.7
307.19113	4.1
308.01724	0.6
309.20685	42.3
310.21014	4.3
445.20743	2.3
461.19946	0.5
527.28900	0.8
545.29645	1.9
741.40881	0.7
751.39520	0.7
769.39777	1.3
772.59808	0.5
787.41193	2.4
788.40552	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	787.4477
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	2.8
58.90486	1.6
59.01362	18.1
60.99290	2.5
61.98828	24.6
64.63969	1.9
71.01378	90.7
71.62383	2.2
73.02924	3.3
75.00884	1.9
78.95916	3.1
81.03462	1.9
83.04995	6.7
85.02948	3.4
87.00875	10.9
88.98825	9.0
89.02447	7.9
95.05019	3.4
96.95998	2.9
97.02955	5.9
97.06528	2.7
99.00877	3.3
101.02448	10.1
107.05017	2.1
109.05885	1.8
109.06589	25.9
110.87505	1.7
111.08181	4.1
113.02424	6.6
119.03487	1.6
121.06597	2.8
121.10241	2.4
123.04527	2.6
125.02417	2.3
125.06085	2.6
125.09707	3.7
135.08154	2.2
136.05318	1.8
161.04507	5.8
161.09648	2.4
163.11269	19.1
169.12306	3.2
171.10262	38.6
181.12292	9.0
183.13922	2.8
185.11832	4.8
191.05661	4.3
191.10660	1.9
195.13858	9.4
197.11838	4.7
199.09636	2.8
199.13374	4.9
201.11292	12.2
207.08296	3.5
207.10252	65.1
208.10507	2.1
209.11807	100.0
210.12128	6.4
223.09709	2.1
223.13281	5.9
225.11319	51.3
226.11630	3.2
227.12842	7.3
235.08214	5.7
243.12302	5.1
253.09277	29.9
275.20181	10.4
291.19638	39.1
292.20029	4.0
293.21191	76.7
294.21552	10.6
309.20679	4.3
333.40036	2.0
380.83350	1.7
443.19257	3.7
461.20319	11.4
540.22302	2.1
570.69226	2.1
737.41345	15.1
738.41858	3.8
755.41956	4.3
786.34174	2.6
787.45148	10.2
803.73126	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	787.4125
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	2.3
57.95438	0.7
59.01378	8.6
59.65524	0.8
61.98828	45.7
63.99232	1.0
66.95914	1.0
68.99557	1.1
69.03452	6.2
71.01377	9.9
71.05017	2.6
71.62374	0.8
72.99309	1.0
73.02944	1.9
75.24041	0.7
78.91911	1.0
78.95914	1.0
79.95741	2.2
80.91666	1.7
80.96500	1.2
81.03444	1.5
82.95414	18.6
83.01380	1.6
83.05021	2.4
85.02950	6.4
87.00875	1.9
89.02441	4.1
90.21533	0.7
93.03458	2.7
95.01379	1.3
95.04996	1.0
96.96010	71.9
97.02927	1.9
97.06571	3.8
99.00874	1.3
101.02448	6.0
109.02935	1.9
109.06584	1.5
112.98543	1.6
113.02444	1.7
113.03578	1.9
119.03517	1.3
121.02937	1.1
123.04508	1.1
123.08177	1.7
125.02430	4.2
125.09704	4.4
127.11260	1.3
131.04608	3.3
135.04549	1.5
137.02426	3.2
137.09698	2.1
145.06203	1.6
151.11293	2.2
153.12872	1.6
161.02414	3.1
161.04575	2.1
161.09709	2.2
163.11281	1.8
164.01146	1.3
165.01846	0.9
165.12775	1.0
171.08801	1.2
171.10262	22.6
172.10497	1.1
179.03439	1.2
179.05663	0.8
179.10771	6.5
181.12302	1.8
183.13885	1.7
185.11836	1.8
191.05585	5.8
193.12354	1.3
197.11816	66.9
198.12213	4.0
199.13347	1.3
201.05740	0.8
201.11302	2.8
203.07047	1.0
207.10254	4.4
209.11806	11.1
211.13382	10.1
221.11829	1.8
223.09801	2.0
225.11375	6.5
227.12856	3.5
229.14433	8.3
235.08243	1.6
241.10820	2.6
253.09224	5.4
262.28430	0.8
289.07224	4.1
291.19586	2.0
309.20447	1.5
325.20279	4.8
326.20526	0.8
327.21741	12.9
327.66199	0.9
328.21970	0.9
335.22339	1.4
341.19479	0.9
447.59744	0.8
461.19705	0.8
477.19492	1.0
769.40137	1.2
787.41199	100.0
788.41522	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	787.4035
Annotation	Unknow
Peak:m/z	Relative Intensity
56.99703	9.3
59.01374	21.5
61.98831	100.0
71.01380	77.0
71.18001	17.1
78.95918	16.4
87.00822	10.0
89.02433	11.5
96.96020	15.9
101.02448	14.0
109.02998	11.4
109.06596	18.3
113.09084	9.2
125.02412	13.7
163.11296	14.7
163.27007	8.9
171.10258	42.4
177.83598	9.6
183.14053	12.0
191.05641	30.3
197.11809	29.9
201.11282	13.1
207.10246	38.7
209.11794	38.2
211.13368	27.3
223.09969	12.7
223.13388	49.1
225.11363	29.1
247.23370	10.8
253.09344	21.8
289.06976	15.2
293.21188	11.0
309.20737	29.4
459.22726	15.6
462.61029	10.4
578.24829	9.9
787.40314	56.8
788.40363	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	787.285
Annotation	Unknow
Peak:m/z	Relative Intensity
58.54490	0.1
70.74754	0.2
70.75085	0.3
79.95737	1.8
81.62248	0.2
85.37727	0.1
95.95209	0.7
96.95988	0.5
134.03635	0.2
135.04535	0.2
147.10786	0.1
160.79187	0.1
168.10460	0.1
173.04555	0.3
179.03488	0.3
190.31993	0.1
191.05598	1.1
193.05078	0.2
353.08298	0.1
356.53595	0.1
397.17227	0.3
415.17905	1.8
416.18243	0.4
431.17221	0.4
432.17627	0.5
433.18930	100.0
434.19263	12.2
435.18997	1.5
656.29272	0.2
690.87836	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	787.3671
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	9.2
61.98828	100.0
69.58160	20.9
71.01382	28.3
71.03461	2.6
74.85367	2.5
83.04994	2.9
85.02926	3.0
87.00869	10.4
88.98823	4.2
96.96017	3.1
97.02971	3.4
101.02474	3.8
111.08215	2.8
111.98713	2.5
132.32603	2.5
163.11284	4.3
169.12282	7.3
171.10246	14.0
191.05569	8.2
197.11792	10.1
201.11325	5.2
207.10201	11.3
209.11810	21.1
213.11331	3.6
223.09854	4.1
225.11256	15.7
253.09216	5.6
275.20160	4.6
289.18030	4.8
291.19672	14.9
293.21222	7.3
309.20728	7.5
461.20129	4.2
516.67474	2.9
648.39374	3.1
787.35748	13.2
788.36859	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	787.2295
Annotation	Unknow
Peak:m/z	Relative Intensity
56.24636	0.1
57.03440	0.3
59.01371	0.7
67.01881	0.4
67.08957	0.1
67.50976	0.1
69.03451	0.2
69.77390	0.5
69.77795	0.2
71.01373	0.7
73.02957	0.1
81.03445	0.2
85.02946	6.2
87.00873	1.5
93.03452	3.7
94.03815	0.2
96.95984	0.2
99.04543	0.2
109.02956	0.7
111.04512	1.1
127.04009	1.9
133.02934	1.0
134.03426	0.1
135.04526	3.7
136.04842	0.1
137.02423	0.5
139.04007	0.6
153.01863	0.2
155.03534	0.4
161.02429	1.4
171.02975	0.5
173.04530	4.5
174.04819	0.2
177.02003	0.2
179.03479	2.7
180.03862	0.2
191.05597	100.0
192.05940	3.9
216.05995	0.1
283.03949	0.3
313.04840	0.1
351.07169	0.3
352.07669	0.4
353.08728	18.6
354.09033	1.5
433.13379	0.4
433.18951	1.0
562.07013	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	785.3961
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	0.7
57.03440	2.2
58.00583	0.9
59.01372	8.9
61.98825	54.6
66.62277	0.5
67.01875	0.6
68.99568	0.7
69.03455	5.7
71.01376	9.5
71.05019	3.3
72.99290	0.9
73.02932	1.3
78.95915	1.2
79.95738	1.5
80.02668	0.6
80.91679	0.6
81.03432	0.8
81.23827	0.5
83.01359	0.8
83.05035	1.6
85.02938	2.7
85.06557	0.7
87.00886	1.6
89.02432	4.2
91.05513	0.8
93.03446	1.5
95.01385	0.9
95.05018	1.7
96.96003	36.1
97.02951	2.4
97.06589	2.5
99.00906	0.8
101.02426	5.3
107.05022	1.3
107.07502	0.6
109.02924	1.0
109.06584	7.7
111.00905	0.6
111.04591	0.7
112.98597	0.6
113.02463	2.6
119.03481	0.8
123.08177	1.9
125.02434	1.9
125.06089	0.9
125.09713	3.3
128.03537	0.9
131.65245	0.6
132.45433	0.5
133.05089	0.6
135.04520	0.9
137.02481	1.2
146.04573	0.8
149.09804	0.7
151.11230	2.8
153.12846	1.9
155.91158	0.6
161.04558	2.1
161.09673	4.2
163.11243	1.2
169.12349	2.0
171.10298	4.2
179.03351	0.6
179.10728	6.4
181.12337	2.1
183.13885	0.7
185.11783	0.6
191.05594	3.0
197.11812	81.0
198.12088	4.5
199.13399	1.8
201.11264	1.3
207.10257	3.2
208.13588	0.7
209.11807	4.9
211.13394	6.3
212.13763	0.6
223.09758	6.2
225.11308	4.3
227.12958	1.4
229.26117	0.7
233.15382	0.6
235.08203	1.8
235.13400	0.9
237.14900	1.4
241.10851	4.2
253.09308	4.6
260.88449	0.5
323.18661	1.1
325.20166	4.1
341.23291	1.3
343.21237	5.1
459.18738	3.2
461.19873	1.0
477.19864	1.6
719.92322	0.7
723.94672	0.6
767.39923	0.7
785.39587	100.0
786.39893	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	785.2486
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03422	1.0
58.10111	0.6
58.22192	0.5
59.01379	2.5
67.01884	3.9
68.85123	0.6
69.03443	1.4
71.01375	3.7
71.61572	0.5
72.99301	1.4
74.60405	0.6
78.95882	0.6
79.95731	0.8
81.03443	0.9
83.05028	1.2
85.02950	7.9
87.00878	1.8
87.41016	0.5
93.03453	27.1
94.03796	1.4
96.96001	1.4
107.05020	0.6
109.02936	1.9
111.00845	1.5
111.04505	5.0
114.42865	0.6
127.03992	2.4
130.49019	0.5
133.02927	1.6
134.03754	3.0
135.04518	64.1
136.04807	2.8
137.02428	8.5
155.03491	6.0
161.02422	4.0
173.04532	100.0
174.04855	4.6
179.03487	60.5
180.03831	2.5
191.05600	89.7
192.05923	3.7
228.12186	0.6
239.95708	0.5
287.29785	0.6
351.07339	1.2
353.08749	96.9
354.09091	8.8
372.91196	0.6
431.12149	1.9
431.17371	28.4
432.17810	2.9
433.19025	19.6
434.19247	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	785.3963
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	0.7
57.03439	2.1
58.00563	0.6
59.01380	8.0
61.98834	3.7
69.03443	5.5
69.45119	4.2
71.01380	13.1
71.05005	2.4
72.99287	0.9
73.02950	1.6
78.95863	0.7
79.95724	0.8
80.92671	0.4
81.03455	1.9
83.01378	1.7
83.05027	2.3
83.81814	0.5
85.02944	3.3
87.00876	2.4
89.02446	4.4
89.58962	0.5
95.01365	0.7
95.05015	1.7
96.96006	27.3
97.02953	2.3
97.06584	3.0
98.00080	0.6
99.00851	0.9
99.04520	0.8
101.02434	6.2
109.06592	1.3
111.04489	1.0
113.02460	4.1
117.07100	0.6
119.03514	1.1
123.04546	1.1
123.08134	1.9
125.09719	6.5
127.11274	0.5
137.06171	0.6
137.09734	1.4
143.10840	0.6
149.09712	0.7
151.11287	4.0
153.12830	2.3
161.04527	2.1
161.09724	5.4
163.11255	1.8
167.10771	0.9
169.12340	1.0
171.10275	5.2
172.10622	0.5
179.10759	14.0
180.11119	0.6
181.08601	0.6
181.12437	0.8
185.11804	4.3
187.09796	0.8
191.05685	0.8
191.14394	1.4
193.12282	0.6
195.13994	0.5
197.11813	100.0
198.12125	5.4
207.10303	3.3
209.11806	11.7
210.12221	0.9
211.13365	1.3
213.11319	1.5
221.11798	3.3
223.09731	3.5
225.11316	4.8
226.11598	0.6
227.12849	1.3
235.08232	3.0
237.11447	0.8
237.14981	1.2
239.12874	1.6
241.10820	9.6
245.19026	2.8
253.09265	8.6
254.09540	0.6
281.13986	0.5
289.18106	8.7
290.18301	1.0
291.19635	1.1
305.17661	0.6
307.19119	8.3
308.19263	0.6
309.20712	1.0
357.15771	0.6
371.22253	0.5
389.23444	1.0
396.46799	0.6
405.17371	0.6
407.24631	0.6
459.18634	3.9
461.20474	0.9
477.19727	8.3
478.20267	0.8
503.75607	0.6
543.28400	0.6
625.32129	0.7
669.31421	5.8
699.32318	6.3
700.32886	1.4
749.37329	0.8
767.38489	29.8
768.39001	6.1
785.39496	8.2
786.40332	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	784.4121
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	0.3
61.98828	100.0
64.97848	0.1
71.01376	0.5
71.09608	0.2
72.46447	0.2
78.95904	0.2
78.98593	0.2
79.95735	0.5
80.96513	3.4
94.98086	0.8
101.02473	0.3
103.00365	0.3
106.98071	0.2
125.02515	0.2
134.97632	0.2
143.23131	0.2
148.99176	0.3
164.98660	0.5
185.72366	0.2
209.11890	0.9
210.12233	0.4
225.00722	0.9
225.11531	0.2
226.11713	0.2
267.01346	0.2
277.21585	0.8
278.22186	0.7
783.42511	0.3
784.42181	4.0
785.41956	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	784.4132
Annotation	Unknow
Peak:m/z	Relative Intensity
58.18899	0.2
58.32816	0.1
59.01378	0.3
60.71075	0.2
61.98826	100.0
63.43432	0.2
71.01399	0.4
78.98604	0.3
79.95731	0.6
80.96515	3.7
82.96117	0.2
87.00870	0.3
90.23005	0.2
93.41763	0.2
94.98087	0.9
98.19891	0.3
101.02493	0.3
103.00381	0.3
103.53709	0.2
122.97619	0.2
125.02484	0.3
134.97604	0.2
148.99141	0.3
152.98701	0.3
160.54279	0.2
164.98625	0.6
191.96092	0.2
206.99750	0.2
209.11812	0.9
210.12135	0.3
225.00758	1.0
226.00954	0.2
227.12953	0.2
277.21744	0.9
278.22171	0.5
468.59796	0.2
561.11572	0.2
783.42712	0.3
784.42181	4.4
785.42261	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	784.3611
Annotation	Unknow
Peak:m/z	Relative Intensity
55.35099	0.1
59.01371	0.2
61.98826	100.0
62.98537	0.3
69.38699	0.7
71.01386	0.3
71.70949	0.1
75.00897	0.1
78.91908	0.2
78.95914	0.2
79.95744	0.1
86.66534	0.1
87.00896	0.1
89.02453	0.1
93.03458	0.2
93.26435	0.1
96.96008	2.8
101.02428	0.1
109.02952	0.1
116.92813	0.1
125.02468	0.2
131.11848	0.1
135.60437	0.1
137.02432	0.2
161.02443	0.1
171.10265	0.3
191.05609	0.7
197.11981	0.1
207.10387	0.1
209.11926	0.3
225.11325	0.1
237.07724	0.5
238.08031	0.1
289.07394	0.1
289.18173	0.1
348.65112	0.1
463.63693	0.1
687.33453	0.2
785.37231	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	783.5771
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03433	0.4
59.01366	0.6
61.98823	0.9
65.93832	0.3
66.91401	0.3
71.01357	0.4
71.62007	0.4
78.95892	0.4
87.21661	0.3
91.98087	0.3
96.96004	1.2
125.02437	1.2
131.04709	0.3
149.02489	0.3
151.03989	0.6
167.10822	0.5
175.79141	0.3
177.02005	0.3
179.14426	0.6
191.05603	0.8
195.13875	6.4
195.15552	0.6
196.14436	0.7
205.12366	0.9
209.11819	0.6
211.13344	0.9
223.13388	5.5
228.13632	0.8
249.22098	0.4
256.13187	1.2
265.21643	0.5
275.20139	4.5
276.20294	0.4
285.03952	0.6
289.07190	0.9
293.21210	100.0
294.21552	10.1
294.24319	0.2
557.25195	0.4
566.90204	0.3
662.44757	0.4
742.73834	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	783.235
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	1.0
67.01884	0.5
71.01379	0.6
73.02950	0.2
78.95901	0.2
81.03472	0.2
83.05012	0.3
85.02945	5.5
86.03294	0.1
87.00869	1.6
93.03455	2.8
94.03770	0.1
96.96024	0.2
99.04514	0.2
109.02957	0.4
111.04542	0.9
117.03456	0.2
119.05011	0.8
126.82520	0.1
127.04002	1.6
129.01971	0.1
137.02437	0.2
145.02872	0.8
155.03606	0.2
163.03992	1.2
171.02980	0.3
173.04529	1.6
174.04858	0.2
175.04021	0.2
191.05597	100.0
192.05972	3.8
337.09268	23.2
338.09576	2.3
646.97198	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	782.344
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	0.3
60.35976	0.1
61.98824	100.0
64.32980	0.1
65.81374	0.2
70.02298	0.2
70.02693	0.4
71.01384	0.4
72.99300	0.2
73.02946	0.2
75.00867	0.3
79.95781	0.2
85.02937	0.2
88.98782	0.3
89.02435	0.2
96.96004	1.5
98.95566	0.2
99.86449	0.1
116.92859	0.6
119.48094	0.2
135.04512	0.2
137.02487	0.2
156.93422	0.1
161.02498	0.2
171.10359	0.2
191.05630	0.6
197.11880	0.2
207.10266	0.2
209.11839	0.5
211.13451	0.2
225.11362	0.3
516.67316	0.2
685.94971	0.2
765.38129	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	783.2349
Annotation	Unknow
Peak:m/z	Relative Intensity
55.25057	0.1
57.03429	0.3
58.89206	0.1
59.01374	0.9
60.99321	0.2
63.00536	0.1
66.47038	0.1
67.01873	0.7
69.03442	0.2
70.20866	0.1
71.01374	0.8
71.17769	0.3
73.02940	0.3
81.03454	0.2
83.05012	0.3
85.02945	6.3
87.00861	1.5
93.03455	5.8
94.03774	0.2
95.05025	0.2
99.00858	0.2
99.04497	0.2
105.03478	0.3
107.04967	0.2
109.02925	0.7
111.04516	1.4
113.02345	0.1
127.04011	1.9
133.02960	2.3
134.03622	0.2
135.04518	6.2
136.04868	0.3
137.02426	0.6
137.16809	0.2
151.03940	0.2
153.01961	0.2
155.03511	0.5
161.02428	2.1
171.03008	0.5
173.04535	9.0
174.04861	0.4
177.01912	0.7
179.03482	5.3
180.03882	0.3
183.25957	0.1
191.05592	100.0
192.05945	4.2
201.90033	0.1
207.08914	0.2
207.56401	0.1
208.14867	0.1
215.05545	0.9
216.05931	0.3
351.07114	2.0
352.07462	0.7
353.08728	21.3
354.09137	2.1
375.06955	0.2
638.84265	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	782.3445
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01370	0.4
59.50543	0.1
61.98825	100.0
62.98529	0.1
71.01393	0.5
71.16299	0.3
71.88145	0.1
71.96671	0.1
72.99323	0.2
75.00871	0.4
79.95712	0.2
88.98820	0.4
93.03458	0.2
96.96011	1.6
110.57298	0.1
116.92844	0.3
118.60503	0.1
124.72549	0.1
125.02457	0.3
125.09834	0.1
127.79732	0.1
128.59686	0.1
135.04550	0.2
137.02449	0.3
145.06195	0.2
153.91170	0.2
163.03999	0.2
171.10272	0.3
173.04628	0.1
191.05560	0.6
199.04057	0.1
200.42772	0.2
207.10262	0.3
209.11891	0.4
210.12231	0.2
211.13522	0.2
225.11430	0.2
226.49803	0.2
245.52301	0.2
279.70462	0.1
318.63098	0.1
462.43057	0.1
685.31067	0.2
783.37994	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	781.4373
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01100	1.0
59.01373	14.9
61.98824	26.9
63.96217	1.2
69.47361	2.7
69.47784	2.8
71.01369	6.1
73.02947	1.0
78.93512	0.7
78.98567	1.4
79.95737	5.0
80.27338	0.8
80.96509	23.3
83.05001	1.1
85.02936	1.9
87.00867	1.4
89.02438	2.6
94.98088	4.9
96.96001	1.6
97.02939	7.1
97.06573	1.2
99.00871	9.1
101.02428	2.6
109.06592	1.5
110.03738	1.2
111.04451	0.8
113.02463	1.7
125.02421	1.3
125.09710	3.0
127.03992	1.1
129.88902	0.9
134.97563	1.3
135.08064	1.2
136.05379	0.9
142.02776	1.7
148.99075	2.0
152.98590	2.4
161.04497	1.0
163.11290	7.8
164.98578	4.9
181.12308	16.4
182.12683	1.2
199.13364	1.3
207.10229	46.7
208.10519	2.5
225.00737	5.3
225.11293	100.0
226.11598	7.0
226.69441	0.8
235.08261	1.3
243.12320	10.7
253.09216	2.2
263.20090	2.5
269.70181	0.9
277.21689	89.5
278.22000	6.6
281.24792	3.8
443.19031	4.7
461.20227	39.9
462.20575	3.9
721.41595	26.3
722.41858	6.0
751.12909	0.9
781.40369	28.4
782.40356	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	780.4382
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	0.4
61.98828	100.0
71.01383	0.9
71.48695	0.2
78.95920	0.4
78.98599	0.7
79.95740	1.5
80.96511	8.1
85.02955	0.5
87.00896	0.4
94.98080	1.8
101.02417	0.3
106.98109	0.4
122.97596	0.3
125.02405	0.3
134.97627	0.5
148.99176	0.4
152.98634	0.7
164.98648	1.3
225.00716	2.3
255.23318	0.6
281.24768	0.5
294.05615	0.2
344.68329	0.2
356.91080	0.2
400.02164	0.2
426.84900	0.2
755.99048	0.2
763.39771	0.6
780.39075	2.6
781.40338	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	781.4375
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	1.0
57.08411	0.9
59.01377	10.6
61.98828	31.3
68.94490	1.2
68.99568	3.0
71.01385	5.4
71.62134	1.3
73.02921	1.4
78.95895	1.9
79.95750	5.4
80.96510	24.2
83.40927	1.0
85.02944	1.8
85.25215	0.9
87.00880	1.9
89.02440	2.0
94.60529	1.0
94.98093	3.9
96.95432	2.1
96.96002	18.3
97.02947	4.3
97.06568	1.0
98.95596	8.1
98.96468	1.1
99.00870	7.9
101.02460	3.2
112.98547	2.5
122.88974	0.9
122.97588	1.7
124.22009	1.0
125.02427	1.4
125.09676	0.9
134.97578	1.7
137.02419	1.0
148.99129	1.7
152.98607	2.2
163.11301	4.4
164.98601	4.2
181.12309	7.8
206.99666	2.0
207.10234	22.2
208.10533	1.2
225.00705	7.4
225.11296	54.6
226.11627	2.4
235.08185	2.7
243.12361	5.5
253.09212	3.1
255.23160	1.6
277.21689	100.0
278.22034	8.6
293.21198	3.3
443.19247	4.6
449.40524	1.0
461.20285	4.2
635.75934	1.0
663.39838	1.2
721.41553	24.3
722.41541	5.6
781.40338	27.8
782.40936	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	779.3883
Annotation	Unknow
Peak:m/z	Relative Intensity
61.01650	1.1
61.98832	4.7
63.94897	1.0
63.96221	1.6
64.59039	0.9
66.10757	0.9
69.99358	1.1
71.01380	7.5
71.61554	1.5
72.68096	0.9
73.02934	1.7
75.26236	0.9
78.95879	1.2
78.98582	6.0
79.95734	15.3
80.96512	83.7
81.03432	1.4
85.02921	3.1
86.13605	1.0
87.00861	2.1
94.98081	17.2
96.96001	1.5
97.02930	2.0
101.02448	3.1
106.98076	4.0
109.97663	1.1
122.97576	4.6
125.02391	3.2
127.03967	1.9
134.97554	5.6
136.99127	1.2
148.99095	7.7
152.98624	6.3
164.98611	16.1
197.11810	6.3
206.99683	3.0
207.10141	1.1
213.11674	1.1
225.00731	26.9
225.11183	1.8
226.00998	1.1
255.23250	6.1
259.28290	0.9
259.96991	1.2
313.14624	1.1
523.14636	2.0
779.38885	100.0
780.39221	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	779.5458
Annotation	Unknow
Peak:m/z	Relative Intensity
57.10847	0.3
59.76726	0.2
61.98825	10.1
68.99546	0.2
69.33208	1.6
69.33617	0.3
73.23749	0.2
78.36577	0.2
93.27283	0.2
96.96006	0.5
98.19842	0.4
103.35179	0.2
111.30167	0.2
114.51287	0.2
144.81288	0.2
165.12813	2.5
166.13216	0.3
182.52974	0.2
191.05637	0.4
201.52737	0.2
205.43658	0.2
247.20720	1.3
273.18695	0.7
291.19632	16.2
292.19989	1.2
327.50400	0.3
368.03555	0.2
487.34225	100.0
488.34573	16.7
779.37897	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	779.2976
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	1.6
57.03444	3.3
58.00549	0.9
59.01375	21.7
64.00357	0.6
67.01876	1.3
68.99802	1.0
69.03448	0.8
71.01382	28.8
72.99306	5.8
73.02936	2.8
75.00871	16.1
79.05516	0.9
79.76105	0.6
79.95734	1.5
81.03443	1.4
83.01378	2.1
84.02164	0.8
85.02950	30.5
86.03251	0.7
87.00869	10.4
89.02438	10.5
89.33191	0.6
93.03451	1.7
95.01376	6.1
96.96008	42.0
97.02945	0.9
99.00877	8.8
101.02449	5.4
103.00364	2.3
109.03036	0.6
111.00885	0.8
113.02447	37.4
114.02755	0.6
115.00361	1.8
117.01913	3.2
119.03488	1.5
127.34280	0.6
129.01900	2.8
130.50174	0.6
131.03532	1.1
135.04507	1.4
135.06628	4.1
137.02428	1.1
149.04556	1.3
155.03424	0.8
157.01389	0.7
161.02457	0.8
161.04614	0.9
161.13353	10.1
173.04547	1.1
175.02477	2.2
187.11285	8.8
191.05635	3.6
205.07059	4.2
205.12314	10.8
206.12604	1.1
207.05055	1.3
213.09236	1.2
231.05022	1.1
231.07082	0.8
231.10179	1.3
249.06152	10.1
267.07190	37.7
268.07648	1.2
297.11920	0.9
365.17810	1.5
437.17932	1.4
461.63000	0.7
481.17245	3.9
487.99942	0.7
761.28284	1.4
779.29724	100.0
780.30042	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	779.2261
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	0.3
59.01369	1.0
65.20055	0.1
67.01889	1.0
69.03461	0.3
71.01376	0.8
72.99269	0.2
73.02957	0.2
81.03460	0.3
83.01342	0.1
83.05026	0.4
85.02943	6.3
87.00868	1.3
93.03455	5.9
93.85065	0.1
94.03793	0.2
99.00919	0.2
99.04498	0.3
105.99149	0.1
109.02954	0.6
111.04510	1.6
127.03992	1.7
130.11127	0.1
133.02953	0.5
134.03738	0.3
135.04521	5.5
136.04851	0.3
137.02455	0.8
143.03542	0.2
155.03516	0.7
158.40985	0.1
161.02428	0.5
171.03003	0.5
173.04529	19.2
174.04858	0.8
177.01978	0.2
177.04205	0.3
179.03477	5.1
180.03810	0.2
191.05594	100.0
192.05978	4.0
207.08836	5.4
208.09254	0.2
221.34099	0.2
224.05525	1.3
305.71399	0.2
312.69952	0.2
352.07080	0.2
353.08722	9.9
354.08951	0.9
425.13107	3.5
426.13135	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	779.2611
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00591	0.9
59.01375	100.0
60.01709	1.0
63.08990	0.3
69.03431	0.7
71.01379	20.4
72.47990	0.3
72.99307	0.8
73.02942	16.9
74.03285	0.3
75.00864	0.7
81.03458	0.3
83.01386	5.5
85.02937	2.9
87.00880	0.7
89.02439	12.6
93.03491	0.7
95.01395	1.0
96.96022	1.3
97.02972	0.8
99.00872	0.8
101.02435	19.9
113.02434	8.0
119.03494	3.7
119.04204	0.4
123.04478	0.3
125.02440	3.0
131.03493	2.0
132.04568	0.6
135.04486	0.3
137.02437	0.4
143.03534	2.0
149.04544	5.5
151.03928	1.6
155.03485	0.5
161.02480	0.4
161.04539	8.5
173.04649	0.5
179.03444	0.3
179.05637	1.4
191.05592	3.1
203.05650	1.1
221.06624	3.1
233.06557	1.9
247.11835	3.1
257.55991	0.3
289.12872	4.1
293.08817	4.4
333.06201	0.3
437.98056	0.3
623.05219	0.3
648.41217	0.3
794.97150	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	777.419
Annotation	Unknow
Peak:m/z	Relative Intensity
56.94215	5.1
59.01374	11.7
61.98828	26.5
70.89484	10.6
71.01351	8.0
78.95901	6.9
80.96510	5.6
96.96009	26.2
102.39692	4.6
171.10283	6.2
174.46100	4.8
192.72308	5.8
199.13545	6.1
201.11307	48.4
209.11786	83.9
209.38838	4.3
210.12206	6.0
221.15454	5.0
227.12880	27.5
235.08081	7.5
253.09181	15.3
277.21658	100.0
278.22098	11.1
293.21191	6.9
419.18979	5.0
437.20193	5.5
445.20554	7.9
463.21689	12.8
469.33963	6.3
513.30133	5.4
514.31195	6.8
624.23517	5.6
697.42303	5.6
723.43250	17.8
777.41986	38.9
778.42639	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	779.2262
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03457	0.2
59.01377	1.0
60.99293	0.3
67.01891	1.2
69.03474	0.2
69.59920	0.8
69.60331	0.8
71.01373	1.3
81.03462	0.5
83.05011	0.6
85.02941	5.5
87.00864	1.3
93.03448	8.0
98.20530	0.4
109.02969	0.8
111.04518	2.7
127.04004	1.4
129.01907	0.5
133.02931	0.5
135.04512	3.1
137.02423	0.8
144.84297	0.2
155.03430	1.8
161.02400	0.4
171.03047	0.3
173.04526	37.9
173.49992	0.2
174.04878	1.7
177.04141	5.1
178.04253	0.3
179.03484	2.9
191.05589	74.6
192.06503	31.6
193.06697	0.9
195.64857	0.3
200.00677	0.2
207.08842	100.0
208.09195	5.8
224.05478	22.5
225.05786	0.8
351.06967	0.3
353.08694	6.7
354.08972	0.7
425.13074	11.8
426.13428	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	775.4643
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	0.1
59.85184	0.1
63.01836	0.1
69.35281	0.2
69.35706	0.3
78.95891	0.9
79.95735	3.1
85.02948	0.1
88.98814	0.2
96.96004	100.0
97.95931	0.3
105.74079	0.1
135.04480	0.1
161.02504	0.1
166.07347	0.1
191.05632	0.4
333.04892	0.1
340.04703	0.1
341.06641	0.1
341.34689	0.1
404.08859	0.1
775.46857	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	775.5319
Annotation	Unknow
Peak:m/z	Relative Intensity
56.04823	0.3
61.98826	100.0
68.21069	0.2
71.17017	0.2
71.17359	0.4
75.93886	0.3
78.95922	0.3
111.94199	0.3
130.87767	0.3
152.99640	0.3
401.10995	0.3
442.41833	0.3
599.20203	0.3
729.28186	0.3
775.47266	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	777.4186
Annotation	Unknow
Peak:m/z	Relative Intensity
58.61392	12.4
59.01355	24.4
61.98829	100.0
66.34644	14.5
70.89905	34.2
78.95911	15.1
93.03454	19.1
96.96000	24.1
99.93358	14.6
125.56380	14.4
173.04482	19.1
191.05600	54.4
197.11816	37.5
208.43153	13.0
237.73389	15.1
255.23010	28.6
293.21213	32.0
776.83807	21.2
777.41901	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	775.4035
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01364	6.4
61.98833	31.9
67.23818	2.3
71.01384	4.6
71.62688	2.7
78.95902	7.0
89.02429	3.5
101.02447	4.8
109.06584	6.7
113.02434	2.9
161.04509	2.6
163.11284	6.7
171.10216	17.1
181.08633	2.9
191.05569	7.0
199.09782	16.0
201.11290	4.4
207.10249	27.2
211.30956	2.6
213.07056	2.6
225.11299	44.1
226.11659	3.8
235.08223	11.1
253.09248	15.5
253.21832	3.6
255.23264	3.0
259.20721	2.7
277.21689	100.0
278.22018	9.4
282.87482	2.4
304.37772	3.0
306.78745	2.5
393.76205	2.6
426.17014	2.5
443.19128	8.3
461.20261	15.9
513.30188	6.6
669.64874	3.1
695.39893	45.7
696.40375	10.4
703.40826	4.6
707.53229	3.1
721.41528	43.4
722.41968	11.8
775.40802	9.9
776.39978	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	775.4034
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	6.9
61.98830	22.9
69.41041	12.9
69.41468	11.8
71.01367	6.0
76.99281	3.3
78.95917	6.9
80.96510	4.3
82.01031	3.0
89.02435	4.9
94.46822	2.9
109.06606	12.9
110.39455	2.9
115.74215	2.8
116.60790	3.8
125.02373	3.7
127.11285	3.5
137.02446	5.3
137.43266	3.4
139.09050	3.2
152.99611	4.0
163.11267	7.5
171.10254	21.5
179.05675	4.4
197.11676	3.3
199.09721	33.5
201.11302	6.3
207.10194	44.5
225.11290	44.5
235.08232	5.7
253.09239	12.5
277.21710	100.0
278.22031	9.4
304.97110	3.5
435.18674	10.6
443.19266	13.5
461.20062	17.2
513.30054	4.1
649.96484	3.5
695.40051	72.1
696.40167	15.8
721.41724	42.6
722.42114	13.6
739.42542	5.2
775.38922	19.9
776.41321	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	775.3178
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	0.7
56.34659	0.5
57.03442	0.9
58.00601	1.2
59.01378	15.6
61.98830	3.9
69.03439	1.5
69.38511	4.5
71.01381	13.6
72.99299	2.3
73.02945	10.3
75.00867	0.7
83.01394	1.2
83.05026	1.8
85.02950	7.3
86.00097	2.7
87.00874	12.4
87.04506	4.0
88.98775	0.5
89.02442	3.3
93.03464	1.0
96.95994	4.4
97.02935	0.9
99.00864	1.8
101.02449	4.7
103.03989	2.0
109.02905	0.8
109.06550	1.1
113.02438	3.7
115.03999	6.2
119.03468	0.8
121.02950	41.1
122.03282	1.6
125.02418	1.8
131.03505	7.4
135.04517	18.4
136.04817	0.6
143.03494	7.0
145.05020	1.9
147.04463	0.5
151.03978	1.2
155.74361	0.5
161.02438	0.5
161.04503	0.7
161.06084	0.6
163.03966	2.3
163.06111	1.6
163.11266	2.2
165.02046	0.5
171.10263	5.9
179.05548	0.7
181.12299	1.4
189.13470	0.5
191.05521	1.2
199.09729	2.5
199.13356	1.3
201.11302	6.8
205.07170	3.6
207.10222	5.5
208.10579	0.6
209.11809	23.1
210.12070	1.6
225.11331	8.1
227.12843	5.1
235.08220	1.6
243.12309	1.5
253.09143	3.1
301.03473	0.6
301.18027	2.1
319.18988	2.9
399.21899	0.7
445.20770	0.9
461.19965	2.9
479.21432	0.7
538.07220	0.7
609.29218	2.8
627.30054	2.0
635.30652	1.3
638.76599	0.6
645.31110	2.5
653.31396	1.5
663.31653	1.0
671.32788	3.2
689.34070	2.5
690.34717	0.8
695.34894	1.4
707.34637	3.0
721.36597	1.8
731.32782	100.0
732.33130	25.0
775.35498	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	775.1724
Annotation	Unknow
Peak:m/z	Relative Intensity
55.90799	0.4
56.73145	0.4
59.01365	0.8
71.01331	0.5
85.02940	5.7
87.00867	1.3
93.03460	2.3
108.02135	0.5
109.02933	2.7
111.04508	0.7
127.04006	1.3
133.02960	0.8
135.04466	0.4
161.02448	2.6
163.00362	0.8
171.03018	0.6
173.04529	1.6
179.40875	0.4
191.05594	100.0
192.05968	3.5
215.03426	1.2
217.05107	0.4
227.03404	1.0
229.04922	1.1
231.69099	0.5
243.02858	2.1
255.02969	1.2
258.01663	14.1
259.02399	20.4
260.02747	1.3
271.02460	17.4
272.03180	17.7
273.03897	5.6
283.02451	1.1
285.03976	6.0
298.01230	2.3
299.01926	1.3
301.03503	60.9
302.03857	5.7
306.07507	0.5
312.52713	0.4
313.03491	3.8
315.05109	1.1
331.04547	41.6
332.04855	3.9
343.04483	1.2
353.08719	19.7
354.08948	2.1
355.04495	0.9
385.05688	1.0
403.06714	3.8
404.06897	0.7
421.07706	96.3
422.08075	12.9
423.08380	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	773.3881
Annotation	Unknow
Peak:m/z	Relative Intensity
56.04571	9.4
59.01365	13.8
61.98803	33.2
71.01368	42.6
71.61873	17.9
85.02920	15.7
87.00858	12.1
96.95999	25.8
101.02457	18.6
108.56768	10.9
109.06593	14.3
123.04610	9.9
125.02376	12.6
137.02400	13.0
151.11255	15.3
169.12332	100.0
171.10248	27.8
191.05577	26.8
195.10190	14.0
207.10205	39.4
209.11719	19.1
213.11240	12.4
219.26648	11.4
225.11247	26.7
253.09175	23.9
291.19540	16.0
293.21118	30.6
358.40063	10.5
449.20309	19.5
461.20441	24.1
639.30182	14.0
657.30853	52.1
737.41425	21.6
773.39050	46.8
780.23547	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	775.1432
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	1.6
57.74272	0.9
59.01374	1.9
61.98833	1.0
67.45438	0.9
70.02594	0.8
71.61913	1.3
71.62295	1.4
72.89867	0.9
75.19571	0.8
76.18346	0.9
79.98226	1.0
81.03460	1.7
81.76147	0.9
83.01389	4.1
85.02967	2.0
87.00828	0.9
89.03944	2.2
93.03458	4.4
95.01363	1.0
95.05022	2.1
96.96000	10.1
97.02945	3.7
100.96658	0.9
108.02178	1.1
109.02949	23.8
121.02937	2.6
122.03752	1.0
123.04501	9.3
125.02450	16.4
133.02963	11.0
135.04506	4.4
137.02438	19.5
139.03995	3.2
145.02888	1.3
147.04517	1.9
149.02405	5.6
150.03186	4.2
151.03996	9.9
158.94531	1.0
159.04535	2.5
161.02434	27.7
161.06056	3.7
162.03185	1.6
163.00360	2.1
163.03928	1.8
164.01147	2.8
165.01891	5.1
167.03488	1.1
173.04564	2.2
173.05995	1.8
175.03961	3.3
175.07600	1.1
177.01915	100.0
178.02203	5.0
179.03487	6.4
183.24727	1.0
187.03963	2.1
188.04742	2.6
189.01888	7.6
191.05592	15.8
192.05945	1.0
203.03508	4.4
203.07094	7.8
205.01404	2.1
205.05063	6.6
215.03496	1.5
216.00510	4.5
217.01366	5.1
221.08188	1.7
222.08589	0.9
227.03496	6.3
227.06972	1.2
228.03693	1.1
229.01346	5.9
239.03558	1.6
241.05026	1.0
245.04578	1.7
245.08128	12.6
246.08476	1.6
247.06223	1.2
251.03619	1.4
255.06490	1.3
257.04553	2.3
265.05109	1.3
269.04514	1.9
281.04547	3.1
282.05219	1.7
287.05588	6.8
289.07172	40.2
290.07434	3.0
293.04413	1.3
295.06131	1.3
297.04022	2.4
299.05487	1.8
307.02509	1.3
321.04132	5.2
325.03488	2.9
337.03561	1.3
337.07190	1.7
339.05051	20.4
340.05267	2.3
341.06717	1.4
353.08893	1.2
407.07318	1.3
417.06180	3.7
433.09396	1.9
435.07062	13.1
436.07364	2.7
449.08719	22.3
450.09311	3.3
451.10364	7.2
452.10547	2.0
459.07037	6.9
477.08179	1.7
493.11789	1.1
569.10760	5.8
570.11469	1.3
587.02588	1.5
587.11908	29.8
588.12128	6.5
613.14978	1.3
629.13129	2.4
721.15942	1.5
739.16626	41.4
740.16632	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	773.3358
Annotation	Unknow
Peak:m/z	Relative Intensity
56.65065	1.3
57.03445	2.2
59.01377	20.5
61.77546	1.5
61.98827	27.7
63.99228	2.4
69.37190	10.9
69.37602	2.7
71.01378	89.7
71.05012	2.5
73.02935	4.2
75.00877	1.3
80.02664	1.9
80.30564	1.6
81.03456	4.8
82.95415	7.2
83.01380	2.1
83.05019	7.2
84.02164	2.3
84.95089	2.0
85.02929	8.6
87.00877	4.5
88.98804	2.2
89.02435	5.8
93.03442	3.0
95.01380	2.8
95.05029	3.1
96.96001	31.6
97.02911	7.8
97.06585	3.5
99.00870	11.6
101.02455	9.0
106.04233	1.8
107.05003	2.6
109.02911	3.1
109.06586	33.8
111.08161	1.7
113.02441	6.7
115.03954	1.6
119.03513	2.7
121.06542	2.8
125.02406	1.6
125.06091	2.4
125.09717	7.6
127.11269	1.6
135.08130	5.1
136.05360	2.3
137.02477	1.9
142.02768	3.1
149.02390	2.0
151.04008	2.1
161.02426	2.9
161.04482	2.8
161.09697	4.6
163.11281	27.4
169.12314	4.2
171.10254	36.1
172.10583	2.7
179.10748	2.8
181.12335	18.7
183.10213	1.5
185.11749	7.1
187.09665	1.7
189.01810	1.8
191.05589	9.6
197.11790	4.8
199.09734	3.2
199.13345	8.3
201.11282	8.7
205.08661	8.3
207.10240	100.0
208.10623	5.7
209.11819	57.5
210.12106	3.6
211.13466	3.7
213.11311	2.7
215.12817	1.9
217.01375	1.8
223.09773	12.8
223.13316	2.3
225.11301	84.1
226.11598	5.8
227.12993	8.9
235.08173	7.1
243.12325	16.6
253.09276	18.8
273.20782	2.2
299.14862	2.4
309.20816	2.2
327.21783	9.8
443.18988	3.0
459.18759	2.0
461.20264	16.9
462.20557	3.7
479.21042	6.6
598.43652	1.4
615.30328	1.9
633.31049	4.8
651.29541	3.4
663.36414	1.6
669.31012	4.0
670.31567	3.2
687.32623	4.0
773.41748	2.4
774.38470	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	773.3351
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03431	1.1
59.01376	10.5
61.98826	9.0
69.03452	1.0
71.00999	1.6
71.01376	30.1
73.02919	3.3
78.95886	0.9
80.02660	1.1
81.03440	2.3
82.95390	1.9
83.01374	1.5
83.05030	5.0
84.02164	2.1
85.02938	7.1
87.00861	2.1
88.98788	1.4
89.02441	5.9
90.96021	0.8
93.03425	2.2
95.01347	1.2
95.04990	1.3
96.96006	24.8
97.02939	4.3
97.06570	2.6
98.95581	1.7
99.00864	4.0
99.04519	1.5
101.02432	6.9
103.49240	0.7
106.04217	0.8
109.02932	1.0
109.06588	12.7
110.03692	1.0
113.02458	3.8
116.92879	1.1
119.03436	1.3
123.08090	0.9
125.02423	1.1
125.06085	1.2
125.09682	2.7
127.11246	1.2
135.04457	1.0
135.08134	2.0
137.02440	0.9
137.09702	1.3
142.02660	1.0
145.05087	1.1
151.03946	0.9
161.02446	1.0
161.04500	2.3
161.09648	1.7
163.11255	11.0
164.11533	0.9
165.12794	2.7
171.10255	19.0
172.10571	1.5
177.09209	1.2
179.05579	1.2
181.12334	6.4
183.13838	1.4
185.11809	2.8
191.05557	5.2
191.10840	1.2
197.11789	1.6
199.13394	5.5
201.11261	2.3
205.08752	1.0
207.08319	1.7
207.10249	29.6
208.10606	2.2
209.11813	100.0
210.12192	5.9
211.13411	7.7
212.13649	1.1
213.11288	1.3
221.11723	2.8
223.09697	3.4
225.11314	26.8
226.11719	1.8
227.12888	13.4
229.14427	6.7
229.22736	0.8
235.08167	8.3
239.12891	1.7
243.12283	3.7
253.06664	1.0
253.09258	20.6
254.09583	1.6
291.19540	2.7
299.14844	1.0
301.03546	1.1
305.11520	1.0
309.20709	7.4
310.21039	1.1
327.21716	48.2
328.22141	4.8
351.21774	3.9
397.20682	1.7
415.21265	1.1
445.20624	2.2
461.20474	5.6
462.20529	1.2
479.21393	2.2
545.29608	1.4
563.30658	2.8
581.27277	1.6
600.63409	0.8
669.30328	1.4
670.31732	1.1
687.32257	1.6
744.39874	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	773.3266
Annotation	Unknow
Peak:m/z	Relative Intensity
55.66644	0.1
57.58174	0.1
59.01374	0.4
61.98826	0.8
69.98420	0.1
71.01372	0.9
77.54330	0.1
78.95898	2.0
79.95736	3.6
81.75377	0.1
86.13972	0.2
87.00868	0.2
89.29706	0.2
96.96005	100.0
96.96881	2.6
97.02929	0.1
97.95955	0.4
99.00892	0.1
105.26495	0.1
106.00805	0.1
109.06595	0.1
122.88624	0.1
122.89613	0.1
151.11302	0.2
160.24223	0.1
162.78447	0.1
169.12332	0.8
171.10242	0.5
189.01924	0.1
191.05588	0.3
196.29482	0.1
197.11790	0.3
201.11340	0.1
201.24852	0.1
207.10278	0.3
209.11810	1.2
210.12181	0.4
213.11263	0.2
225.11334	0.3
227.12807	0.2
253.09268	0.3
277.21707	0.2
293.21344	0.7
311.22339	0.3
347.88330	0.1
449.20389	0.2
453.09448	0.1
475.57544	0.2
631.30011	0.1
657.31641	0.3
713.30383	0.2
773.42902	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	773.3263
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	0.2
61.98832	0.4
65.10535	0.1
71.01380	0.9
78.95901	2.0
79.95734	3.4
85.02930	0.1
94.92472	0.1
96.96005	100.0
97.95944	0.3
98.95597	0.1
99.00871	0.1
109.06635	0.1
113.02486	0.1
118.96597	0.1
163.11298	0.1
166.23546	0.1
169.12221	0.1
171.10248	1.0
197.11876	0.1
199.09822	0.1
201.11339	0.3
207.10260	0.4
209.11861	0.4
217.01314	0.1
225.11295	0.4
227.74387	0.1
230.61928	0.1
235.08154	0.1
245.99303	0.1
253.09312	0.3
277.21719	0.1
291.19778	0.1
293.21185	0.6
311.22263	0.6
396.58359	0.1
407.17160	0.1
435.08356	0.1
435.18912	0.1
453.09213	0.2
461.20032	0.1
507.36667	0.1
519.40192	0.1
607.57581	0.1
611.98999	0.1
702.76434	0.1
713.30682	0.3
773.42529	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	773.1579
Annotation	Unknow
Peak:m/z	Relative Intensity
54.07821	0.5
58.27480	0.6
59.01273	1.2
59.01535	0.8
65.00231	0.6
69.31079	0.5
69.32830	5.7
83.38725	0.6
85.02777	4.6
87.00748	1.0
93.03277	2.7
93.74613	0.6
96.95818	1.7
98.19946	1.5
107.01216	1.2
108.02077	0.8
109.02816	0.8
109.91372	0.5
121.02800	0.8
127.03840	1.3
134.03595	0.8
134.55402	0.6
135.04391	0.7
137.02299	0.6
137.07040	0.6
145.33644	0.6
151.00121	3.8
152.00581	1.1
159.34750	0.5
161.02180	4.1
163.00171	1.2
173.04297	2.4
173.05591	0.6
178.99568	2.2
179.99982	1.1
181.00093	0.6
188.04410	0.7
191.05597	32.0
191.07236	1.9
192.05753	1.4
193.04935	0.8
206.08083	0.7
215.03226	0.7
227.03209	1.2
229.01079	1.9
230.01912	1.0
239.03372	1.1
242.01936	1.5
243.02940	8.1
244.03558	5.2
245.03690	0.8
247.06244	1.4
254.01942	1.1
255.02946	9.8
256.03351	6.8
257.00626	1.5
257.03409	1.8
258.01401	2.6
259.02100	2.0
270.01385	1.4
271.02444	25.9
272.02908	17.5
273.03055	7.4
283.02225	1.7
284.03006	1.0
285.03690	1.6
289.07089	0.7
298.00946	1.1
299.01950	7.9
300.02701	30.2
301.03180	29.9
302.03314	14.7
303.03363	1.8
304.02130	0.7
310.00839	1.1
311.01712	1.4
312.02795	3.0
313.03168	1.7
329.03006	5.1
330.03552	2.1
331.04440	1.8
341.02600	0.8
346.04510	1.6
347.05219	1.2
347.39346	0.6
359.05545	1.8
360.06104	1.6
361.06964	1.3
367.09940	1.0
374.03894	0.9
375.04764	2.0
376.05463	0.8
387.04672	1.9
388.05460	1.4
389.06372	2.6
390.03229	0.7
391.04126	0.6
403.04321	2.1
404.04947	2.4
405.05963	1.1
415.04691	0.7
415.17834	0.8
416.17743	0.7
417.06320	2.9
419.03879	3.3
421.07727	2.7
431.03705	1.9
432.04648	1.8
433.05276	2.2
445.05292	1.1
447.06735	2.0
461.05087	51.7
462.05347	7.6
463.06567	1.2
473.05072	0.8
491.06186	30.7
492.06543	3.8
503.06213	3.2
527.06287	2.8
532.75494	0.6
545.07019	1.6
563.08118	4.4
581.09290	100.0
582.09668	17.9
617.67279	0.7
772.20300	4.9
773.20483	27.5
774.21167	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	771.4298
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	9.5
61.98835	8.4
65.40828	1.8
71.01376	18.8
71.61478	1.9
73.02954	1.6
79.08553	1.7
87.00851	2.4
88.75967	1.7
89.02503	1.9
99.00888	2.0
101.02439	3.8
101.64838	1.6
156.78674	1.6
163.11253	2.2
171.10284	14.5
181.12378	2.9
184.77089	1.8
199.09770	7.2
199.13406	2.7
201.11310	21.7
207.10258	8.6
225.11302	13.7
235.08206	14.1
253.09230	7.6
255.23285	100.0
256.23615	12.7
390.80212	1.6
443.19302	1.9
566.92859	1.8
673.41626	6.1
699.42773	5.4
717.44122	8.7
735.45319	24.5
736.45349	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	771.4308
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	8.4
61.98827	10.8
67.11504	1.0
71.01381	14.0
72.50317	1.0
73.02934	1.5
74.72494	1.0
76.30478	1.0
85.02940	2.0
87.00848	1.1
89.02444	2.2
90.09837	0.9
92.20506	0.9
97.02943	1.1
99.00900	1.5
101.02428	3.8
106.21133	0.9
109.06635	1.9
113.02465	1.9
113.07166	1.0
116.09531	1.0
124.15011	1.1
125.09692	1.6
126.15562	1.0
139.39067	1.3
145.05046	1.5
153.09235	1.3
155.10716	1.2
157.05070	1.1
163.11259	2.4
171.10254	14.4
181.08698	3.0
197.11765	1.7
199.09735	14.3
199.13397	1.7
201.11299	15.3
204.47734	1.0
207.10236	10.7
209.11816	2.1
213.72726	1.1
223.09579	1.9
225.11316	12.4
226.11603	1.4
235.08179	12.9
243.12300	2.3
253.09236	11.2
255.23260	100.0
256.23590	9.9
354.93222	1.2
417.17459	1.8
443.19028	1.2
461.20111	1.5
462.21295	1.1
491.32193	5.3
554.41656	1.1
583.34137	1.2
673.41626	9.2
674.41687	2.7
697.40784	1.5
699.43195	7.7
700.44257	1.5
717.43616	6.5
718.45673	1.3
722.44806	1.5
735.45343	13.3
736.45264	3.3
739.42822	1.2
771.42419	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	771.4164
Annotation	Unknow
Peak:m/z	Relative Intensity
54.75922	0.7
55.01857	1.0
57.03445	3.8
58.00595	1.7
59.01377	17.1
61.98814	0.9
64.67312	0.7
64.72779	0.7
67.01917	0.8
67.02273	0.6
69.03444	3.9
71.01377	41.5
71.05011	1.2
72.99283	1.8
73.02940	7.2
73.43229	0.7
74.08847	0.8
80.02666	2.1
81.03434	3.0
83.01370	2.7
83.05013	6.9
84.02120	1.0
85.02940	5.7
87.00868	6.0
89.02441	8.1
93.03484	1.0
95.01386	1.9
95.05028	3.1
96.96000	14.9
96.96964	0.8
97.02946	11.1
97.06583	4.8
99.00875	3.2
101.02439	11.9
106.04258	0.8
107.05019	1.3
109.02936	1.1
109.06588	11.4
110.03751	0.9
111.00860	1.5
111.04489	1.8
111.08141	4.1
113.02444	6.5
119.03507	2.0
119.08616	1.7
121.06563	1.5
123.04494	1.4
123.08136	1.7
125.02441	1.2
125.06055	1.3
125.09705	8.5
127.11295	3.6
135.08138	2.3
137.09671	4.1
139.07639	2.4
141.12875	0.7
143.03471	1.8
145.05054	2.4
149.09717	1.6
151.11288	3.0
153.09219	1.4
155.10771	2.4
161.04553	5.4
161.09721	1.9
163.10008	1.5
163.11272	17.9
164.11679	0.8
165.09174	1.9
165.12808	8.0
165.58690	0.7
166.01851	0.9
167.10764	2.8
169.12340	2.1
171.10255	81.3
172.10629	3.5
179.10730	2.6
181.12357	7.6
183.10094	1.4
183.13805	1.1
185.11819	11.3
189.09167	2.9
191.10744	2.0
191.14401	2.9
193.12219	1.4
193.15857	1.5
197.11810	18.8
198.12206	1.0
199.09705	1.6
199.13382	3.0
201.11298	36.2
202.11653	2.1
207.10240	40.9
208.10576	2.1
209.11801	100.0
210.12112	7.2
211.13342	6.2
215.12709	3.7
225.11292	58.2
226.11609	3.8
227.12817	12.7
235.08191	11.0
243.12230	4.6
245.19006	6.6
247.20560	4.1
253.06604	1.6
253.09251	29.4
254.09590	1.2
263.20071	2.7
271.16962	1.6
273.18594	2.3
289.18057	15.4
290.18448	1.7
291.19629	47.8
292.20038	3.8
293.21167	2.5
295.10342	3.0
307.19089	13.9
308.19461	1.4
309.20679	81.8
310.21109	7.1
320.77206	0.8
405.17761	0.8
407.19186	1.1
419.18832	0.9
443.19107	2.7
461.20151	9.8
462.20807	1.3
475.30869	0.7
479.21484	1.8
504.69070	0.9
545.29529	1.8
628.09387	0.7
735.40088	1.0
753.40503	6.6
754.40601	1.6
771.41492	14.7
772.42499	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	771.4092
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01392	22.1
61.98831	100.0
69.48489	16.7
71.01376	84.5
71.09254	34.8
77.48074	14.6
105.97373	16.8
107.84261	17.0
109.06569	22.8
116.92849	16.4
117.01839	15.9
119.12000	21.2
123.76719	14.9
163.11287	18.2
171.10214	42.8
195.13815	18.3
197.11716	38.2
201.11188	16.5
207.10289	35.0
218.37628	14.5
220.14076	15.5
223.13332	44.5
225.11288	42.2
233.52686	17.1
253.09279	26.2
277.21707	21.1
293.21155	49.5
309.20758	29.7
384.96786	15.6
573.94495	16.5
735.42432	15.9
753.40588	32.0
771.41412	52.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	771.4089
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07772	11.2
61.98827	55.4
70.01714	9.7
70.02042	49.6
71.01377	100.0
76.55267	9.8
87.00892	14.7
94.24507	9.3
113.02470	10.2
114.80116	10.4
116.92838	12.2
128.49365	9.9
171.10243	43.0
197.11859	17.5
207.10190	38.8
209.11717	17.9
223.13246	22.3
225.11342	20.1
250.91913	11.0
253.09300	12.5
291.19659	20.7
293.21286	45.7
309.20679	10.9
345.72253	11.6
533.39844	11.2
753.40302	19.1
771.40656	48.7
788.33716	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	771.4015
Annotation	Unknow
Peak:m/z	Relative Intensity
54.58323	0.9
55.01879	2.6
57.03440	4.4
58.00591	1.7
59.01376	57.9
59.62434	0.9
60.99297	1.5
61.98826	1.7
69.03452	1.9
71.01382	40.4
71.62468	1.3
72.99305	4.4
73.02938	10.7
75.32994	1.1
79.95756	1.5
81.03431	1.2
83.01385	6.4
85.02945	19.4
87.00875	5.8
88.98794	5.2
89.02441	18.6
93.03464	3.8
95.01389	6.2
96.95369	1.2
96.96000	21.9
97.02949	1.7
99.00877	2.8
101.02437	25.6
109.02929	2.9
111.00873	3.0
111.04516	1.1
113.02439	22.5
119.03493	6.3
123.04527	1.5
124.01668	1.6
124.07448	1.0
125.02438	9.7
131.03470	1.3
133.02975	1.9
135.04538	6.7
137.02434	5.1
143.03490	3.0
149.02429	1.1
150.03238	1.3
151.04004	1.0
159.03018	2.2
161.02501	5.9
161.04517	2.9
163.00378	1.0
165.01913	2.2
166.02489	1.1
167.03598	1.0
168.89462	1.1
173.04570	5.2
173.05927	1.4
173.84082	1.0
177.01901	1.4
179.03424	4.9
180.58649	0.9
191.05598	21.7
192.06003	1.6
231.06923	4.3
271.02490	1.1
300.02560	1.3
301.03366	1.1
343.28650	1.0
353.09155	1.9
361.29605	10.5
362.29880	1.4
365.17810	8.1
366.18155	1.0
383.18860	2.6
385.12787	1.8
411.09500	1.2
417.19641	1.5
505.34009	5.0
523.34723	6.1
627.30627	1.2
651.29779	1.1
667.39020	100.0
668.39368	20.3
669.30878	7.3
681.27521	3.3
685.40045	40.7
686.40436	8.8
727.41516	38.6
728.41730	9.9
771.17316	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	769.4502
Annotation	Tasipeptin B
Peak:m/z	Relative Intensity
61.98813	16.1
69.30281	90.9
78.95931	11.9
84.12292	9.9
98.19922	22.1
103.14649	9.8
209.11766	87.0
235.08180	16.2
255.23262	100.0
318.87164	11.6
491.32092	16.3
688.32050	11.9
708.28125	12.7
769.44702	51.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	771.1982
Annotation	Quercetin 3-rhamnosyl-(1->6)-glucosyl-(1->6)-galactoside
Peak:m/z	Relative Intensity
59.47351	0.6
65.00323	1.2
69.48433	5.1
73.11221	0.7
77.80173	0.8
98.19751	0.6
107.01393	2.7
108.02166	1.9
109.03007	0.9
148.01668	2.3
151.00349	8.4
164.07063	1.0
178.99855	5.8
191.05553	1.8
199.03954	0.9
206.08211	2.8
207.08669	0.7
226.02664	1.6
227.03438	2.7
243.02992	12.1
244.03378	1.1
254.02173	3.4
255.02957	28.8
256.03262	1.8
271.02448	62.3
272.02893	6.5
299.01968	2.7
300.02722	100.0
301.03262	16.1
301.06714	0.7
367.10391	0.8
542.76819	0.8
591.13397	1.1
771.19861	64.1
772.20306	14.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	769.4505
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	21.5
61.98822	10.5
69.28090	29.9
69.28503	57.5
71.01378	32.9
79.62749	8.2
79.98498	9.9
80.96487	9.6
89.02434	27.3
101.02441	18.5
113.02436	14.1
117.14123	9.7
209.11737	76.0
227.12805	14.0
235.08206	26.0
255.23238	100.0
304.90866	10.5
311.29431	64.2
397.13364	88.0
398.13608	12.5
415.14508	33.5
491.32086	20.7
614.36810	12.3
685.23584	10.8
769.44824	92.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	769.4011
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	1.4
59.01377	5.1
61.98817	1.1
69.03457	4.8
69.98491	0.4
71.01377	6.1
71.05013	1.6
73.02951	1.0
77.78833	0.5
81.03451	1.1
82.53616	0.5
83.01363	1.2
83.05035	0.6
85.02945	1.1
85.27388	0.4
87.00871	0.9
89.02434	2.4
95.01380	0.6
96.96008	0.9
97.02925	1.1
97.06597	1.2
99.00889	1.1
101.02427	3.6
108.02214	0.5
109.06568	0.7
111.04509	0.7
111.08157	5.1
113.02452	1.8
119.03516	0.7
123.08166	1.2
124.32018	0.5
125.09756	2.2
127.07616	0.4
137.09787	0.7
151.07671	0.7
151.11273	3.3
153.12836	2.3
161.04523	1.4
161.09706	4.5
162.10051	0.5
163.11264	1.1
163.45869	0.4
169.12321	2.6
171.10258	4.2
179.10748	8.0
180.11150	0.6
181.12331	2.1
193.12363	0.6
197.11807	77.2
198.12155	4.6
199.13354	1.8
201.11342	0.5
204.94351	0.6
207.10286	2.4
209.11780	4.2
210.12491	0.5
211.13361	3.0
223.09715	1.8
225.11308	3.9
227.12837	0.9
230.11185	0.5
235.08078	1.1
241.10872	2.5
243.12447	1.1
253.09314	3.3
263.20139	1.7
289.18057	1.7
291.19681	2.9
307.19064	1.4
309.20642	5.3
310.21005	1.0
327.21661	0.6
440.99399	0.5
461.20074	0.7
477.19540	1.6
607.34808	0.5
769.40076	100.0
770.40448	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	769.4008
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	2.7
59.01375	7.3
61.98827	4.4
69.03448	4.2
71.01372	9.0
71.05022	1.8
71.29393	0.8
72.99308	1.1
73.02943	1.4
83.01363	1.0
83.05019	2.6
85.02936	2.4
87.00871	1.6
89.02428	3.0
93.03435	0.9
95.01395	1.2
95.04986	1.8
96.96002	3.9
97.02936	2.5
97.06570	2.4
98.69618	0.9
99.04471	0.8
100.49120	0.8
101.02435	5.0
105.83761	0.7
109.06568	2.5
111.04533	1.3
111.08128	3.3
113.02412	3.1
119.03448	0.9
123.08128	2.2
125.02422	1.6
125.09739	4.7
135.04579	1.0
135.08122	0.9
151.11264	4.2
153.12816	2.0
161.04529	1.4
161.09737	4.4
163.11263	3.0
165.12852	2.7
169.12300	2.5
170.64479	0.7
171.10257	11.8
172.10619	0.7
177.12764	1.1
179.10760	8.1
181.12306	2.1
185.11772	1.1
191.05550	1.3
191.14563	0.9
195.13850	1.8
197.11815	64.8
198.12152	3.2
199.13341	1.7
201.11298	2.2
205.08650	1.1
207.10229	2.8
209.11823	15.8
210.12155	2.1
211.13370	2.2
213.11206	1.0
217.01144	0.8
223.09706	3.4
225.11308	5.4
227.12811	2.8
235.08209	1.9
235.13298	1.0
237.14923	1.6
241.10774	3.4
247.13347	2.0
247.20540	1.8
253.09233	5.7
261.18597	1.0
265.14453	1.8
287.16489	0.8
289.18060	6.4
291.19647	9.5
292.20047	0.9
305.17450	3.0
307.19153	2.0
309.20721	6.7
323.18790	0.8
410.25397	0.7
459.18600	1.5
477.19678	1.5
751.39362	2.3
769.40088	100.0
770.40320	26.5
780.67468	1.0
789.00360	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	769.3862
Annotation	Unknow
Peak:m/z	Relative Intensity
54.80202	1.7
55.01857	2.2
57.03435	5.7
58.00585	2.6
59.01376	59.8
60.58936	1.5
60.99301	1.5
61.98809	2.1
62.55743	1.6
69.03445	2.5
69.36136	14.9
71.01378	45.7
72.49969	1.5
72.99310	2.8
73.02951	9.8
74.87386	1.5
76.73905	1.4
79.95305	1.5
79.95737	7.3
83.01379	7.2
85.02942	28.5
87.00866	10.7
88.00394	2.2
88.98802	16.7
89.02434	22.0
93.03452	11.2
95.01360	3.4
96.96011	52.3
97.02908	2.2
99.00876	4.5
101.02436	27.1
109.02930	4.1
111.00911	2.0
113.02444	23.7
119.03490	5.6
119.04967	2.0
123.04514	1.8
124.01630	2.0
125.02449	14.9
133.02975	3.5
134.03716	2.8
135.04518	7.8
137.02467	8.9
143.03519	2.8
145.08733	1.8
147.04520	1.6
149.02422	2.3
150.03218	3.4
151.03958	3.9
157.12280	1.8
161.02411	7.5
161.04617	3.0
163.04034	1.7
165.01920	3.9
173.02478	2.7
173.04605	9.3
175.04008	2.7
177.01967	3.7
179.03477	4.4
191.05597	62.6
192.05936	3.6
201.01927	1.7
201.14943	1.7
205.05067	3.2
227.03508	1.6
231.06924	12.7
231.57076	5.8
239.06705	10.1
239.56857	2.9
244.53357	1.6
253.05170	2.0
258.01907	1.6
259.02283	2.2
271.02377	2.6
272.03174	2.2
289.07150	3.8
297.04044	2.4
299.05280	2.1
301.03461	6.1
302.03723	1.8
309.56836	1.7
311.12900	1.8
331.04416	2.6
346.20041	1.8
347.20660	2.3
351.21744	3.2
353.08881	2.0
359.28033	6.7
365.17859	42.7
366.18118	12.6
367.10846	1.7
367.17630	3.0
368.17612	1.6
383.18903	17.0
384.19244	3.6
399.18747	10.7
400.18704	2.5
410.86920	1.9
415.17758	3.2
463.14420	4.8
503.32227	8.0
521.33350	8.0
541.09869	5.3
542.10718	2.3
665.37512	100.0
666.38080	17.1
683.38495	42.8
684.39063	8.4
725.28418	2.7
725.39734	33.5
726.39624	6.5
737.20728	5.4
769.24493	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	769.3856
Annotation	Unknow
Peak:m/z	Relative Intensity
54.44963	0.9
55.01867	2.3
55.36406	1.0
57.03444	3.8
58.00580	2.2
59.01376	63.7
69.03454	1.7
70.13239	1.3
71.01379	52.5
72.01720	1.2
72.99309	3.2
73.02943	8.8
76.78486	1.0
79.95736	1.6
83.01378	5.0
85.02946	20.5
87.00860	6.9
89.02436	24.5
89.34739	1.1
93.03449	2.3
95.01374	5.8
96.96014	12.3
97.02932	2.0
98.19869	3.6
99.00884	2.9
101.02436	24.7
109.02922	1.6
111.00863	3.3
111.04491	1.2
113.02438	22.3
119.03501	8.6
124.01563	1.0
125.02454	6.3
127.11238	1.4
131.03572	1.4
133.02997	1.3
135.04549	1.2
137.02443	1.9
143.03479	3.0
151.03984	1.7
151.31012	1.1
161.02426	2.4
161.04575	2.4
165.01881	1.0
171.13907	1.4
173.04546	2.6
175.03978	1.3
177.02025	1.0
179.03555	1.5
179.05597	2.6
187.61525	1.0
191.05580	14.2
192.06041	1.2
201.14943	6.9
215.40181	1.1
220.02950	1.1
229.73930	1.3
239.06671	10.3
284.56104	1.2
341.06842	2.2
341.27621	1.2
359.28180	1.7
365.17844	3.1
368.66669	1.1
383.19055	1.7
399.18393	10.9
400.18521	1.3
400.51596	1.2
412.49200	1.2
421.97198	1.0
503.32330	8.8
521.33368	6.9
545.32318	1.3
629.35345	1.5
665.37500	100.0
666.37689	18.1
683.38531	47.6
684.39001	8.0
725.39606	46.5
726.40265	10.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	769.385
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03438	1.6
58.00611	0.9
59.01377	10.3
61.98828	100.0
67.01899	0.9
69.03452	1.1
71.01380	67.4
71.05033	1.0
71.61967	0.8
71.62365	1.0
72.99310	1.0
73.02949	2.8
75.00871	1.1
78.95931	1.3
79.95734	3.1
80.02665	1.2
80.96514	2.2
81.03464	2.3
83.01402	2.1
83.05031	3.4
85.02945	4.2
87.00871	3.7
89.02454	2.8
93.03461	2.0
95.01426	0.8
95.04999	1.2
96.96011	21.0
97.02955	4.2
97.06588	1.3
98.95557	0.8
99.00874	4.4
101.02438	5.6
107.05013	1.2
109.02960	2.0
109.06586	16.8
110.03718	0.8
111.04509	2.1
111.08153	0.9
113.02444	3.6
119.03481	1.2
121.06599	1.8
122.03712	1.0
123.04499	1.5
123.08129	1.1
125.02422	5.0
125.06079	0.9
125.09694	4.8
127.11246	0.9
128.52847	0.8
133.02933	1.1
135.04527	2.0
135.08127	3.7
136.05338	0.8
137.02437	4.0
137.77802	0.7
139.04053	0.8
141.01842	1.0
144.34500	0.8
151.03975	1.0
151.11223	1.7
161.02437	1.9
161.04552	2.2
161.09727	2.7
163.11285	9.2
164.01155	1.2
165.01964	1.5
166.60016	0.7
171.10263	19.3
173.06239	0.8
177.09129	0.9
179.03448	1.1
179.10829	2.7
181.12329	6.2
185.11809	1.9
187.09776	0.8
189.09045	1.2
191.05569	6.5
195.10223	1.5
197.11859	5.2
199.09846	1.1
199.13364	2.8
201.11253	4.6
205.08710	4.9
207.10252	39.2
208.10570	2.2
209.11801	26.7
210.12163	1.7
211.13365	1.3
213.11273	1.3
221.11835	1.7
223.09764	10.0
225.11308	31.6
226.11690	1.6
227.12827	3.7
235.08209	2.1
235.13547	0.9
237.07635	1.6
243.12387	4.6
253.09312	6.4
289.07141	3.8
289.17957	1.0
307.19031	1.4
311.22253	2.1
325.20395	1.6
385.12878	1.4
397.20264	1.8
443.19067	1.1
444.56866	1.0
459.18524	1.2
461.20300	6.4
479.21371	2.5
633.30048	0.9
651.30310	1.6
669.31360	1.4
687.31989	4.0
719.35083	2.4
769.38879	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	769.3853
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	1.6
59.01378	12.5
59.42437	1.0
61.11688	0.9
61.98823	51.9
69.03445	1.3
71.01376	100.0
71.05001	1.9
72.01707	2.0
72.99294	1.3
73.02939	3.8
75.00847	1.2
77.62495	0.8
81.03439	2.9
83.01361	2.2
83.05011	5.5
84.02151	1.5
85.02937	3.3
87.00868	5.3
87.01292	0.9
89.02438	3.2
93.03423	2.4
95.01367	1.4
95.05015	2.6
96.96002	11.5
97.02956	7.0
97.06586	2.3
98.36665	0.9
99.00877	5.2
101.02449	6.6
107.05036	1.6
109.02959	1.9
109.06572	21.3
110.03739	1.9
111.04491	3.9
113.02428	4.7
121.02891	1.3
121.06558	2.9
122.03725	1.2
123.04488	3.0
123.08156	1.6
125.02420	5.0
125.06064	1.1
125.09705	6.5
127.11281	1.0
135.04527	1.1
135.08174	4.4
137.02396	2.7
137.09694	1.3
139.07617	1.0
142.02711	1.6
146.54007	0.9
151.03937	1.2
155.10722	1.7
155.96162	0.9
161.02429	1.4
161.04515	2.7
161.09692	3.4
163.11272	14.3
164.01123	2.4
165.01941	2.0
165.12723	0.9
171.10254	29.9
172.10550	1.0
173.04494	1.7
177.09108	1.5
179.10747	3.3
181.12300	8.2
183.10239	1.0
185.11749	3.3
187.09642	1.2
189.09198	1.8
190.93900	0.8
191.05627	5.3
197.11899	5.7
199.09818	1.9
199.13411	5.1
201.11333	7.5
205.08694	6.9
206.37498	0.8
207.10249	54.0
208.10577	3.3
209.11810	39.7
210.12039	2.3
211.13377	2.1
212.53619	1.0
213.11272	2.1
215.12875	1.1
223.09727	12.5
223.13390	1.4
225.11307	47.4
226.11595	2.6
227.12886	5.2
235.08189	3.2
241.10800	1.3
243.12305	5.2
253.09261	13.4
287.16586	1.6
289.07211	5.4
289.17993	2.8
299.15097	1.4
305.17490	1.5
307.18903	1.3
325.20337	1.5
354.44553	0.9
383.11157	1.2
415.20926	1.2
443.19107	1.9
459.18683	1.8
461.20258	10.3
479.21140	2.5
633.31641	1.7
651.30286	1.9
669.31335	2.7
687.32202	4.0
719.35010	3.4
726.69348	1.1
751.40015	1.2
769.38757	4.2
770.40637	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	769.3859
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	0.9
57.03424	1.1
59.01377	7.3
61.98827	100.0
71.01380	59.4
72.01734	0.7
72.99320	1.0
73.02946	1.5
79.96737	0.6
80.02658	0.6
81.03465	1.8
83.01391	1.1
83.05018	2.9
84.02152	0.8
85.02950	1.6
85.03735	0.6
87.00889	2.3
88.04086	0.6
88.98798	1.3
89.02452	2.0
95.01366	1.0
95.05023	0.5
96.96008	6.6
97.02981	2.8
97.06597	1.5
98.95634	0.7
99.00889	2.6
101.02431	3.9
101.73106	0.5
109.02972	0.6
109.06586	10.5
111.00885	0.7
111.04525	1.3
113.02453	2.0
121.06594	1.3
123.04607	0.6
123.08141	0.7
125.02439	1.4
125.09740	3.7
135.08167	2.9
137.02434	1.0
142.02728	1.5
151.11275	0.8
153.12920	0.6
161.04509	0.7
161.09631	1.1
163.11261	7.6
164.01276	0.7
164.11555	0.6
165.78311	0.6
171.10252	14.3
171.11641	0.9
172.10568	0.6
175.15150	0.5
179.10794	2.0
181.12360	4.6
185.11838	2.0
187.09717	1.3
189.09354	0.8
191.05650	3.0
195.10197	0.6
197.11771	4.2
198.12230	1.2
199.09801	1.5
199.13492	2.6
201.11330	3.0
205.08653	3.4
207.10252	27.2
208.10635	1.3
209.11807	22.0
210.12152	3.1
213.11366	1.7
215.12962	0.7
223.09743	7.3
225.11302	21.9
225.13524	1.1
226.11638	1.1
227.12827	2.6
228.13217	0.6
229.24236	0.7
235.08229	1.1
237.11305	0.5
241.10829	0.9
243.12312	3.5
253.09273	4.8
289.07193	0.8
385.13004	0.7
415.21408	1.0
443.19354	0.8
459.18832	1.4
461.20056	4.2
462.21002	0.6
479.21344	1.7
633.30634	1.0
651.30389	0.9
665.33929	0.9
669.31671	1.4
670.32599	1.2
687.32648	2.1
719.34955	1.3
769.38342	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	769.2596
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03425	0.2
59.01373	3.2
69.03446	0.3
71.01376	2.5
72.99291	0.3
73.02940	1.5
79.95735	3.6
85.02940	1.6
87.00874	2.0
87.04491	0.7
87.64053	0.2
89.02431	0.8
93.03451	2.1
96.96004	100.0
99.00879	0.3
101.02441	1.8
103.03997	0.8
109.70499	0.2
111.04519	0.2
113.02435	1.0
115.03983	1.0
119.03465	0.4
120.78555	0.2
125.02374	0.5
127.04020	0.3
131.03465	1.0
133.02951	1.4
135.04518	2.0
139.00409	0.3
140.01106	0.3
143.03511	1.3
145.05054	0.3
154.02666	0.3
155.03523	0.6
156.32257	0.2
161.02429	1.1
163.06113	0.4
173.04558	1.2
177.01881	0.4
179.03441	1.4
191.05597	13.1
192.05977	0.4
195.73842	0.2
196.06198	0.2
205.07130	0.9
215.05486	0.4
230.53487	0.3
245.09396	0.4
272.72479	0.2
301.17908	0.7
351.07141	0.5
353.08755	3.4
354.09085	0.4
359.09647	0.9
367.10004	0.3
395.09805	0.5
627.30145	30.2
628.30518	5.5
725.19214	1.0
726.18787	0.3
737.86688	0.2
742.56451	0.3
769.22821	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	769.2552
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	0.5
59.01357	0.9
60.20108	0.2
60.99311	1.0
67.01887	3.4
69.03456	1.0
71.01379	1.2
73.02920	0.2
81.03455	0.8
83.05020	0.8
85.02946	4.3
87.00871	5.6
89.03951	0.3
93.03452	24.8
94.03789	0.7
96.96033	0.3
98.20596	0.6
99.04502	0.5
109.02951	0.8
111.04508	3.6
113.02438	0.5
117.03476	0.6
125.02397	0.4
127.04009	1.1
129.01961	0.6
133.02980	0.2
134.03728	8.5
135.04364	0.2
137.02409	0.3
143.03535	0.3
149.06055	0.4
153.01860	0.2
155.03506	0.8
160.01665	0.3
173.04529	10.0
175.03975	0.6
178.02664	0.3
179.03552	0.2
191.05592	100.0
192.05940	3.8
193.05028	5.4
194.05348	0.3
235.09294	0.2
284.02301	0.3
289.07251	0.3
367.10300	41.1
367.20834	3.0
368.10638	4.4
368.21408	0.3
569.61621	0.2
795.51892	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	767.5822
Annotation	Unknow
Peak:m/z	Relative Intensity
54.16544	0.6
54.75472	0.6
55.62319	0.6
57.03445	0.9
59.01372	2.3
61.98815	1.9
64.17045	0.6
71.01395	0.7
71.62193	1.3
71.62551	0.7
73.33404	0.7
96.96005	1.1
105.65936	0.7
113.02451	0.8
113.09728	1.4
125.02431	2.6
151.04085	0.8
163.90610	0.7
164.94075	0.6
195.13887	14.8
196.14247	1.1
197.11812	0.9
209.11832	1.2
228.18474	0.7
255.23225	0.7
277.21722	13.2
278.22046	1.3
293.21167	0.9
295.22742	100.0
296.23120	9.8
321.24411	0.8
424.33167	1.3
469.33438	0.7
470.33429	1.2
471.34280	3.2
767.41180	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	768.3652
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	0.1
59.01371	0.8
61.98825	100.0
62.57888	0.1
69.72623	0.6
71.01395	0.5
75.00872	0.2
79.95738	0.2
80.96527	0.1
85.02959	0.2
85.98003	0.1
87.00882	0.1
88.98808	0.1
89.02437	0.2
93.03467	0.2
96.96007	1.4
98.20584	0.1
101.02451	0.3
109.02983	0.2
109.06583	0.1
111.04498	0.1
113.02496	0.3
119.91160	0.1
125.02464	0.8
133.02940	0.2
134.03748	0.1
135.04520	0.4
137.02457	0.4
137.23944	0.1
143.03452	0.1
150.03165	0.1
161.02428	0.6
165.01978	0.3
171.10295	0.3
173.04549	0.2
177.01958	0.2
179.03499	0.2
182.12375	0.1
191.05617	0.9
205.05188	0.1
209.11845	0.4
222.08554	0.1
225.11244	0.1
232.63910	0.1
235.08327	0.1
237.07684	0.2
285.04337	0.1
286.24692	0.1
288.40063	0.1
289.07269	0.3
291.19635	0.2
309.20721	0.4
310.21054	0.4
385.13058	0.2
397.13419	0.2
398.13870	0.1
415.14398	0.2
416.15027	0.1
432.07892	0.1
435.79919	0.1
503.16943	0.2
503.33994	0.2
504.34195	0.3
725.37952	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	767.4251
Annotation	Unknow
Peak:m/z	Relative Intensity
56.13767	1.1
56.42842	1.1
63.96230	2.0
69.03400	1.2
71.01373	8.9
73.02930	1.6
78.08031	1.1
78.95885	2.4
78.98566	7.0
79.95734	13.9
80.96510	82.2
82.96062	1.6
85.02953	2.8
87.00868	2.8
94.98076	16.7
97.02931	2.4
101.02441	3.0
106.98055	3.3
115.27561	1.3
122.97572	4.2
125.02430	3.4
134.97542	4.6
136.99147	1.2
148.99120	6.4
152.98590	5.4
164.98622	13.0
165.07971	1.2
197.11743	1.8
206.99661	2.2
225.00720	21.3
239.58374	1.1
511.18356	3.9
537.27478	1.7
767.42389	100.0
768.42511	23.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	767.3859
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	0.4
59.01376	9.9
59.59581	0.3
61.98815	0.4
69.03447	0.4
70.57820	0.6
71.01378	5.0
71.04990	0.5
72.02155	0.5
73.02934	6.2
75.00843	0.4
81.31611	0.3
83.01382	1.4
83.05016	0.6
85.02930	1.0
87.00862	0.4
89.02449	0.4
92.85658	0.3
93.06059	0.2
96.96003	2.3
97.02928	0.5
98.19894	0.4
98.95595	0.4
99.00886	0.3
101.02437	5.8
102.29058	0.3
109.02920	0.4
113.02472	1.4
113.03192	0.3
125.02424	1.7
125.44923	0.3
125.76138	0.3
131.03514	0.4
131.04570	0.5
134.03755	0.4
135.04472	0.5
137.02443	0.6
143.03490	0.6
148.53529	0.3
150.03114	0.3
151.04022	0.3
155.03497	0.4
161.02409	0.5
161.04503	0.7
173.04565	0.4
191.05629	2.2
203.05521	0.7
206.80095	0.3
289.07086	0.5
315.11655	0.3
361.25403	0.4
363.27426	0.3
389.28528	2.6
390.28888	0.5
391.30145	2.3
392.30002	0.3
405.27750	0.7
407.29483	4.3
408.29758	0.8
419.29352	1.4
423.28925	2.2
424.29306	0.3
425.30649	0.5
435.29086	0.9
439.32126	2.3
440.32428	0.3
449.30768	0.4
451.27997	0.4
455.31400	1.4
457.33069	0.4
473.32648	1.2
483.31201	0.6
489.32016	0.6
501.32092	0.8
515.33594	0.8
519.33197	100.0
520.33545	18.3
522.35541	0.3
527.55377	0.3
533.34814	1.5
543.33295	0.5
561.34235	12.6
562.34650	2.9
621.36462	0.4
663.36578	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	767.3856
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03420	2.7
59.01374	6.7
61.98827	7.7
69.03456	5.8
70.58732	0.9
71.01372	7.7
71.05000	2.2
71.61950	1.0
71.62387	1.5
73.02937	2.2
79.38816	0.9
83.01373	2.0
83.05010	2.1
83.15813	0.9
85.02943	2.0
87.00878	1.3
89.02419	3.0
95.01359	1.3
95.05064	1.9
96.95993	1.4
97.02916	1.1
97.06546	2.5
101.02453	4.6
104.36829	1.0
106.16763	0.9
109.06580	1.7
113.02420	2.4
116.35469	1.0
116.92783	0.9
123.04442	1.6
123.08161	2.4
125.09695	5.3
135.08105	1.2
137.09688	2.5
149.09724	1.0
151.11240	2.9
153.12840	1.5
161.04475	1.1
161.09692	4.0
163.11244	2.7
169.12291	1.7
170.35378	1.0
171.10184	2.3
179.10789	8.0
181.12349	1.9
185.11772	4.7
191.05702	1.2
191.14325	2.1
197.11803	74.0
198.12111	4.0
207.10229	3.3
209.11858	9.3
211.01505	1.0
211.13397	1.5
221.11874	1.5
223.09650	3.3
223.13239	1.7
225.11264	2.8
227.12872	2.0
235.08253	1.4
239.12723	0.9
241.10817	3.3
245.19078	5.0
253.09169	3.1
263.20004	1.2
289.18011	5.8
307.19046	4.5
309.20798	1.7
325.19949	2.0
350.83823	0.9
357.73755	0.9
459.18570	2.9
477.19757	2.7
525.64294	1.0
564.29095	1.0
651.29626	1.4
655.39954	1.1
669.31213	7.6
670.31494	1.4
749.37744	1.1
767.38470	100.0
768.38812	25.8
798.74249	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	766.35
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	0.5
61.98827	100.0
62.98521	0.2
68.44255	0.1
69.41940	0.7
71.01373	0.7
75.00872	0.1
79.95699	0.1
81.09293	0.1
83.05018	0.2
85.02957	0.2
87.00886	0.1
88.98803	0.2
89.02433	0.2
96.96008	1.2
99.00866	0.1
101.02451	0.1
116.92805	0.6
125.02464	0.2
135.04483	0.2
137.02490	0.2
151.03995	0.1
155.49586	0.1
161.02472	0.1
163.11305	0.3
170.29976	0.1
171.10277	0.3
173.04506	0.1
179.03548	0.1
191.05487	0.5
197.11867	0.4
207.10286	0.2
209.11821	3.7
209.13753	0.2
210.12157	1.1
225.11299	0.3
227.12823	0.5
228.13344	0.1
253.09314	0.2
253.91551	0.1
262.49283	0.1
273.66797	0.1
313.38989	0.1
446.21161	0.2
540.22729	0.1
579.91248	0.1
658.67694	0.1
747.83722	0.1
757.04181	0.1
766.36017	0.2
767.32025	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	767.3628
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03426	4.7
57.41024	4.8
59.01369	12.6
61.98819	11.5
71.01367	16.8
73.02943	5.5
81.56093	4.9
82.95406	12.4
86.20272	5.7
88.98804	35.3
93.39854	6.0
96.95996	7.7
97.02963	8.1
98.50550	4.9
101.02420	8.5
103.15366	4.8
109.06558	10.3
113.06054	6.9
125.02451	9.8
163.11281	8.2
171.10260	100.0
172.10666	5.2
191.05582	10.4
199.09700	19.2
207.10182	32.7
209.11807	29.0
223.13406	11.1
225.11292	14.5
227.12871	5.9
229.18646	7.6
235.08162	12.1
239.12843	7.1
253.09225	22.3
289.18250	5.5
291.19653	6.5
435.18500	10.0
461.20367	9.9
560.88458	6.7
589.28302	7.9
615.30652	6.7
616.30585	11.5
767.38556	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	764.3705
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	0.3
61.98826	100.0
70.84271	0.5
71.01405	0.3
81.52786	0.2
88.98792	0.2
93.03470	0.2
96.96033	0.5
124.53780	0.2
125.02481	0.3
135.04565	0.2
156.47452	0.2
171.10318	0.3
173.04588	0.2
191.05623	0.4
201.11404	0.2
209.11916	0.6
212.14752	0.2
217.01543	0.2
223.13519	0.3
315.38031	0.2
355.22449	0.1
503.64926	0.2
546.87109	0.2
642.72040	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	765.3552
Annotation	Unknow
Peak:m/z	Relative Intensity
55.14547	0.4
59.01374	0.6
60.99306	17.3
61.98821	2.2
71.01379	0.5
71.57507	0.6
72.41970	0.5
72.99322	0.4
73.50814	0.4
78.85792	0.5
80.96494	0.5
87.00877	1.6
88.00420	2.8
88.98804	100.0
89.02439	17.3
89.99131	1.4
96.96031	0.5
144.24890	0.5
146.29057	0.4
223.13342	0.6
236.21547	0.5
277.21646	1.1
397.13550	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	765.3667
Annotation	Unknow
Peak:m/z	Relative Intensity
53.37169	0.8
58.00584	1.4
59.01374	10.5
60.99278	1.6
61.98829	10.1
71.01387	9.2
71.05009	2.2
72.99304	1.4
73.02946	5.7
83.01380	2.2
83.05013	2.0
88.98787	1.2
89.02482	0.9
93.03465	2.6
95.01431	1.0
96.96007	20.8
97.02959	0.9
99.00900	0.8
99.04505	1.1
101.02428	4.0
108.02158	16.2
109.02955	1.9
109.06598	1.1
113.02438	3.1
122.63575	0.8
125.02464	1.5
125.09678	0.9
135.04501	2.2
137.02412	6.3
144.52249	0.7
152.01143	26.6
153.01854	2.3
158.84895	0.8
161.02477	1.3
163.03992	1.9
163.11270	2.4
165.12799	1.3
171.10240	3.1
191.05566	4.2
209.11807	55.9
210.12131	4.4
227.12866	9.1
229.30933	0.9
247.17053	1.2
253.09286	3.6
327.04965	1.0
372.39279	0.8
395.29620	1.1
405.28079	1.5
407.29739	1.9
425.30826	2.4
429.10260	2.6
437.30231	5.1
445.20673	2.6
447.11270	1.5
451.28394	8.3
452.28619	1.6
453.30145	1.2
455.31644	10.7
456.32059	1.4
465.29974	1.5
469.29575	19.6
470.29834	3.0
483.31409	1.2
499.30579	7.0
500.30811	1.5
511.30609	6.8
517.31610	50.2
518.32062	8.8
541.31384	1.0
542.10895	0.8
559.32739	21.1
560.32715	5.7
659.03107	0.9
673.35291	1.4
721.37970	100.0
722.38245	29.8
765.33118	24.1
766.33655	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	763.5519
Annotation	Unknow
Peak:m/z	Relative Intensity
55.15060	1.1
59.01350	1.8
60.09432	1.5
61.98822	10.9
71.62356	1.7
78.95901	1.7
96.95978	2.4
97.06577	1.4
99.35449	1.4
121.10262	6.5
125.09698	5.0
138.37584	1.7
144.46497	1.3
171.10146	1.5
185.11813	9.4
191.05521	2.0
197.11809	3.2
211.13365	2.0
247.20583	1.4
291.19635	100.0
292.19958	9.8
378.84625	1.5
453.33911	1.7
471.34753	94.1
472.35229	16.4
580.94879	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	763.3755
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03413	1.1
59.01385	7.4
60.99310	1.9
61.98832	7.2
66.53946	1.0
68.59746	1.1
68.99565	3.8
71.01389	5.8
71.05020	1.1
71.62734	1.4
79.95738	1.4
81.03456	1.9
83.05020	6.6
85.02956	3.4
87.00877	1.3
88.98803	7.8
89.02445	2.5
93.03461	2.6
96.96006	37.4
97.02956	5.1
97.06594	1.6
99.00856	5.5
100.33041	1.2
101.02418	3.1
109.02936	1.3
109.06562	2.5
110.03793	1.2
111.04556	1.1
112.98618	3.3
113.02436	1.9
118.98022	1.2
123.04513	1.5
125.02438	2.2
125.09699	3.2
135.04541	4.1
137.02496	1.5
150.03223	1.2
161.02414	2.7
163.11290	13.0
165.12857	2.9
171.10255	2.9
173.04576	2.0
181.12325	11.0
191.05608	9.7
192.05853	1.5
197.11845	1.9
207.08308	1.9
207.10263	31.6
208.10594	1.8
209.11809	100.0
210.12213	5.2
211.13214	1.4
225.11307	63.4
226.11568	2.6
227.12892	19.1
228.13159	3.0
233.82312	1.0
240.22435	1.3
243.12344	8.5
253.09212	3.8
289.07162	1.4
417.23022	1.4
443.19189	1.8
445.20703	1.8
461.20227	18.9
462.20605	2.3
498.17993	1.3
522.29498	1.4
542.02502	1.0
609.32825	2.3
635.30450	1.8
653.31677	27.2
654.31848	5.7
671.32788	18.3
672.32996	3.6
763.35291	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	763.249
Annotation	Unknow
Peak:m/z	Relative Intensity
55.86907	0.1
59.01389	0.5
61.98816	0.6
71.01382	0.4
73.02971	0.1
78.95901	0.1
79.95734	3.6
85.02962	0.3
88.98793	0.3
93.03447	0.4
95.48298	0.1
96.96010	100.0
97.95934	0.3
98.95621	0.2
101.02437	0.2
108.02159	0.3
109.02965	0.2
113.02456	0.2
125.02412	0.2
128.03505	0.1
131.04660	0.1
133.02998	0.2
135.04541	1.1
137.02432	0.2
149.02451	0.4
151.04002	0.1
161.02480	0.6
164.04732	0.2
171.10318	0.2
173.04535	0.2
177.01956	0.1
179.03502	0.8
191.05621	1.4
192.05975	0.2
201.05563	0.5
201.11319	0.3
202.05965	0.2
207.06592	0.1
209.11864	0.5
223.06189	0.4
225.11206	0.2
227.12888	0.1
229.17122	0.1
289.07141	0.2
301.03397	0.1
307.99286	0.1
352.12143	0.1
353.12033	0.2
399.18448	0.1
484.75284	0.1
515.17645	0.1
547.54700	0.1
665.28088	0.9
666.28693	0.2
764.29694	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	761.3957
Annotation	Unknow
Peak:m/z	Relative Intensity
53.22062	1.0
59.01376	6.9
61.98827	7.4
63.42099	0.8
67.01917	0.7
69.03458	1.6
71.01370	3.3
71.62177	1.1
73.02932	1.3
78.95926	1.2
79.24214	0.7
80.02673	1.5
81.03461	1.8
83.05033	5.1
85.02940	2.4
87.00879	1.4
89.02428	2.9
93.03462	0.9
95.04990	1.1
96.96004	11.9
97.95927	1.0
98.95589	2.7
101.02421	3.5
109.02930	1.3
113.02432	2.3
122.77714	0.8
125.02425	1.7
151.04013	1.1
161.02371	1.0
161.04562	1.4
163.11244	2.6
165.01868	0.9
165.12819	1.5
167.10701	2.0
171.10228	3.5
177.01921	3.3
179.14418	2.6
189.01903	5.0
191.05562	3.4
191.10861	1.1
195.13896	6.6
205.12315	7.8
209.11813	100.0
210.12164	6.7
217.01402	3.7
223.13377	77.7
223.75229	0.8
224.13695	4.5
227.12874	17.7
228.13153	1.2
235.08206	4.1
253.09190	8.5
261.14902	1.5
341.06601	3.6
415.24545	1.1
441.21555	2.1
445.20532	4.7
459.22314	14.0
460.23022	2.1
589.03278	1.2
633.32825	2.5
651.34326	5.7
652.34113	1.2
654.00702	0.8
669.34735	2.1
745.36292	1.0
761.30945	1.7
761.42999	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	761.4243
Annotation	Unknow
Peak:m/z	Relative Intensity
58.77728	3.9
59.01387	7.1
61.98828	84.6
69.80595	3.6
69.88746	15.3
71.01374	52.1
71.43614	3.7
85.02931	3.8
85.37775	3.9
100.56376	4.6
107.52112	4.0
137.71172	4.0
171.10248	37.4
197.11673	4.6
199.09734	5.0
201.08940	3.6
201.11307	5.9
207.10271	10.0
209.11971	5.8
253.09293	7.8
255.23282	16.8
277.21558	11.4
281.24850	100.0
282.25119	9.5
761.47961	6.0
762.49396	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	761.1928
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	0.4
59.01368	0.8
60.99301	0.2
65.00322	0.5
67.01887	0.9
69.03457	0.4
70.09969	0.3
70.10328	0.7
71.01374	1.0
73.02935	0.3
73.98393	0.2
81.03455	0.7
83.01384	0.3
83.05021	0.3
85.02946	5.6
87.00860	1.7
93.03447	6.4
94.03779	0.4
95.01395	0.2
97.02959	0.3
99.04491	0.4
107.01372	0.5
107.05041	0.2
108.61671	0.2
109.02934	1.0
111.04504	1.7
113.02377	0.2
117.03461	0.7
121.02981	0.2
125.02441	1.1
127.03994	1.8
133.02919	1.4
134.03658	0.8
135.04514	10.3
136.04858	0.5
137.02411	1.2
143.03514	0.2
149.02438	0.2
151.00362	1.2
154.96193	0.2
155.03471	0.8
158.56078	0.2
161.02435	2.9
162.02867	0.2
165.01921	0.3
167.03487	0.3
169.17215	0.2
171.03012	0.5
173.04530	15.0
174.04883	0.7
177.01823	0.2
179.03481	10.3
180.03822	0.6
191.05591	100.0
192.05942	3.5
193.01353	0.5
201.05542	0.5
215.05542	0.3
216.05891	0.2
219.06525	0.2
245.04527	4.0
246.04846	0.2
257.04459	0.3
259.06094	0.2
260.99701	0.2
276.02759	0.2
281.46783	0.2
286.79901	0.3
287.05597	7.5
288.05923	0.6
317.06638	1.5
318.06903	0.2
333.02676	0.2
351.07156	0.7
352.07578	0.6
353.08728	25.6
354.09021	2.2
380.69376	0.2
407.09845	3.5
408.10291	0.6
443.16443	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	761.1927
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	0.6
65.00321	1.4
65.20669	0.4
67.01878	1.1
69.03449	0.8
71.01378	1.0
75.53635	0.4
77.86942	0.4
79.01897	1.1
81.03430	2.5
83.01393	1.7
83.05008	0.6
85.02956	2.0
87.00874	0.5
93.03452	17.6
94.59743	0.4
95.01373	1.1
95.05037	0.6
97.02935	3.1
105.03455	0.8
107.01408	2.3
107.05005	0.5
107.30793	0.4
109.02943	1.4
111.00873	0.4
111.04498	1.3
117.03467	7.2
121.02929	2.7
121.21667	0.5
123.00861	1.0
123.04501	1.7
125.02445	10.6
126.02849	0.5
129.84679	0.4
133.02922	1.5
134.03697	1.4
135.04520	20.4
136.04825	0.9
137.02451	4.3
139.03970	0.7
149.02443	2.8
151.00356	4.7
153.01910	0.5
155.03523	2.0
156.05763	0.4
157.06500	0.5
158.03723	0.5
159.04462	2.2
161.02451	6.4
162.02821	0.5
163.00404	2.1
164.01140	0.5
165.01930	4.6
167.03465	4.9
171.04443	0.7
171.08073	0.8
173.04539	28.4
174.04872	1.6
177.01920	1.1
177.05560	1.1
179.03482	17.3
180.03802	1.1
190.99886	0.7
191.05595	16.1
192.06018	0.8
193.01407	9.2
194.01714	0.6
197.04539	0.7
200.04778	0.5
201.05531	3.8
203.03497	1.1
205.01363	0.6
215.07060	2.3
219.06628	1.4
223.02477	1.9
243.06589	2.0
245.04494	10.3
246.04916	0.8
257.04459	3.4
258.05078	0.4
259.06073	2.0
271.06110	1.2
287.05588	100.0
288.05933	9.0
299.05618	1.7
303.37286	0.5
317.06610	21.1
318.07022	2.2
329.06464	0.6
343.68631	0.4
353.08734	22.2
354.09158	2.6
389.08777	2.3
407.09790	35.5
408.10147	4.5
417.77020	0.4
648.28210	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	759.4086
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01401	6.7
61.29352	5.9
61.98827	43.2
71.01386	23.1
78.95883	13.5
105.31796	6.3
127.03410	6.2
171.10234	31.5
191.05632	8.9
209.11804	100.0
210.12134	8.1
227.12831	29.2
253.09184	14.5
277.21667	57.7
279.23264	9.4
533.50403	6.9
759.41400	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	759.4529
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	8.2
60.13437	0.8
61.98824	0.9
66.30074	0.8
71.01363	3.2
71.61703	1.1
73.02927	0.9
78.95895	1.6
82.76768	0.8
85.02954	0.8
85.83902	0.8
87.00844	2.0
89.02406	1.0
97.02946	2.6
99.00867	4.9
101.02435	2.6
110.03712	0.9
110.66132	0.8
113.02437	1.2
115.35957	0.7
125.09691	1.4
163.11235	3.1
181.12352	6.7
198.05716	0.9
199.13309	0.8
207.10242	18.1
209.11760	4.3
225.11305	42.7
226.11545	2.2
235.08252	3.4
243.12399	5.6
253.09212	2.8
255.23274	100.0
256.23590	7.5
281.24841	6.0
443.19293	5.7
461.19983	4.2
491.32214	1.4
529.03113	1.0
551.63214	1.0
658.79205	0.9
699.43091	24.7
700.43445	4.6
766.92603	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	759.3568
Annotation	Unknow
Peak:m/z	Relative Intensity
54.91679	2.0
56.13048	1.6
59.01369	6.8
61.98842	9.5
69.40395	3.3
69.40794	13.9
71.01368	5.0
78.91856	3.1
83.05032	2.1
85.02950	2.3
87.00865	2.5
89.02441	3.8
93.03461	2.0
95.21385	1.6
95.85024	1.5
96.95429	2.5
96.95999	21.0
109.02902	2.6
120.67356	1.7
121.02944	2.1
121.41593	1.8
125.02422	5.1
127.11307	2.1
135.04488	3.3
137.02452	3.3
151.03954	2.8
155.10657	1.9
161.02377	3.0
163.11281	2.4
165.01903	2.0
171.10210	7.1
173.04645	2.7
179.03487	3.3
191.05592	10.5
199.09712	2.1
201.11311	25.0
205.90288	1.9
207.10188	5.3
209.11815	100.0
210.12146	8.1
223.09805	2.0
225.11349	8.9
227.12849	21.1
235.08101	5.0
253.09230	7.4
289.07114	4.0
294.91800	1.8
313.60541	1.7
437.20288	4.0
445.20679	19.2
446.20868	2.3
461.19785	1.8
463.21976	3.6
611.31464	2.9
629.31757	10.6
637.32184	4.0
647.32605	4.5
673.34094	6.1
759.35767	37.0
760.36047	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	757.4375
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	9.8
61.98824	3.5
68.99556	9.9
71.01379	100.0
71.61591	2.1
72.01688	2.1
73.02959	1.6
78.95890	2.1
84.67598	1.2
85.02943	2.4
87.00876	4.8
89.02438	3.0
95.01362	1.2
97.02937	2.2
101.02428	2.9
104.58440	1.2
109.06585	2.7
112.98577	10.1
113.02448	2.5
114.93412	7.2
115.00367	14.6
115.04033	1.7
125.09673	1.2
127.11274	2.8
150.72137	1.3
163.11272	2.4
171.10263	75.2
172.10634	3.2
181.12315	1.4
191.05611	3.5
197.11749	1.4
199.09764	8.9
200.09979	1.3
201.11308	7.5
207.10242	11.0
208.39149	1.1
225.09171	1.2
225.11252	7.6
235.08226	4.1
243.12418	1.5
253.09274	9.1
277.21692	87.7
278.22021	9.6
435.18515	1.4
436.60556	1.3
461.20483	1.6
555.18597	1.2
684.91608	1.4
721.41742	3.6
757.43811	8.2
758.44269	1.9
767.17352	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	757.3931
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98827	61.6
71.01373	21.7
71.53947	17.8
71.54291	24.1
78.95905	51.6
78.97079	21.0
192.58907	19.7
195.57249	21.1
207.10219	26.7
209.11819	19.9
225.11322	62.7
253.21696	23.5
277.21777	64.7
461.20386	51.4
721.42651	30.1
757.39020	100.0
758.39801	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	757.4006
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	5.0
59.01376	17.0
59.59343	1.4
61.98825	35.7
70.81968	4.1
71.01376	20.4
72.99306	2.1
73.02937	2.6
75.63314	1.6
78.57492	1.7
80.91680	12.0
81.03468	3.1
82.95428	12.8
83.01385	4.3
83.05021	4.7
85.02950	7.3
87.00880	4.4
89.02437	9.8
95.04987	2.5
96.96025	3.0
97.02944	4.1
97.06596	7.8
101.02440	12.3
106.86956	1.7
113.00904	2.1
113.02438	8.9
119.03530	2.6
125.02412	2.6
125.09714	6.5
145.04938	2.1
149.09625	1.9
151.11284	29.5
161.04568	2.6
163.11319	2.9
167.10829	2.0
169.12335	100.0
170.12666	5.4
170.57654	1.9
171.10239	16.4
185.11844	5.7
191.05652	3.2
191.14468	1.9
195.10226	6.3
197.11824	5.1
199.71077	1.7
200.27666	1.9
209.11807	29.0
210.12141	2.7
211.13391	2.3
213.11313	26.9
221.11908	3.7
225.11292	3.8
227.12906	7.8
235.08206	9.3
239.12837	2.3
245.19162	3.9
253.09288	12.3
277.21710	16.8
278.21957	3.5
289.18048	18.4
293.21097	6.7
295.22842	2.6
307.19241	14.1
311.22226	6.5
359.22000	6.8
397.13513	19.9
398.13721	2.8
415.14523	5.4
419.11401	5.3
431.19278	6.2
437.12488	6.1
449.20306	15.7
450.20569	2.0
641.31622	3.0
671.32574	6.0
697.33276	9.1
698.32751	2.5
739.39154	15.7
740.38959	4.9
757.41290	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	757.3929
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01400	4.5
61.98823	10.7
71.01393	4.3
75.00870	100.0
75.01292	5.4
87.00882	3.4
90.91135	2.8
191.05522	5.6
207.10149	3.3
225.11308	4.4
260.28668	2.7
277.21744	12.3
277.46841	2.9
293.21106	3.0
353.07440	2.8
397.13425	8.7
721.41254	4.4
749.62012	3.0
757.39539	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	757.1743
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	0.6
59.01378	3.6
60.99303	1.0
61.53967	0.4
63.10530	0.4
67.01881	3.0
69.03465	0.7
71.01385	3.5
71.61770	0.7
72.99299	1.2
75.00861	1.2
75.93760	0.3
81.03453	1.0
83.05034	0.5
85.02944	7.4
87.00869	5.0
89.02448	0.6
93.03454	23.7
94.03790	1.1
94.62175	0.4
96.95998	2.1
99.00877	1.6
99.04492	0.6
101.02413	0.7
109.02965	0.8
111.04523	3.4
113.02433	2.4
117.99165	0.4
121.02949	7.1
125.02430	0.8
127.04031	2.2
129.01949	0.5
133.02948	1.0
134.03734	2.6
135.04517	17.9
136.04828	0.9
137.02434	1.1
139.03960	0.6
143.77870	0.5
155.03471	1.8
161.02432	1.7
173.04532	31.6
174.04913	1.7
175.90205	0.4
179.03456	7.0
191.05597	100.0
192.05954	5.5
193.04898	0.8
194.05309	0.5
227.98875	0.4
229.01468	2.5
238.01935	0.5
249.06111	4.5
250.88445	0.4
301.03387	0.7
307.08615	1.1
351.07541	0.5
353.08749	37.7
354.09164	4.7
367.10257	6.6
368.10547	1.5
369.11011	0.7
371.09781	12.9
372.10168	0.9
389.06412	34.1
389.17584	2.5
390.06741	3.0
433.08734	0.4
459.96063	0.4
535.32654	1.9
757.17749	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	755.4214
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	0.6
58.00611	0.3
59.01376	4.2
61.98827	0.7
65.87769	0.2
69.03452	0.7
70.98895	0.2
70.99229	0.4
71.01376	3.7
72.99313	0.2
73.02947	0.8
76.79134	0.2
79.64581	0.2
80.02673	1.1
81.03467	1.2
83.01370	0.4
83.05022	4.8
84.02177	0.5
85.02951	0.8
87.00882	0.7
89.02436	2.4
93.03447	0.2
95.01398	0.3
95.05013	0.6
96.96005	0.4
97.02944	1.8
97.06586	0.3
99.00948	0.2
101.02431	3.0
109.06560	0.9
111.08157	3.2
113.02446	1.5
119.03504	0.5
123.04495	0.2
125.02412	0.2
125.06084	0.7
125.09727	0.4
131.03503	0.3
135.08153	0.8
137.09705	0.4
137.99579	0.2
143.03487	0.3
145.05077	0.4
147.11729	0.3
149.15027	0.2
151.11240	0.3
153.12839	0.5
161.04550	1.3
163.10007	0.2
163.11285	3.9
164.11612	0.2
165.12843	3.4
166.13123	0.2
169.12331	1.5
171.10258	2.9
172.10718	0.2
176.01675	0.2
179.05554	0.3
181.12367	1.2
183.13913	0.4
185.11938	0.3
191.05672	0.2
191.10771	0.7
197.11821	17.7
198.12219	0.9
199.13377	1.2
201.11234	0.3
207.10278	0.8
209.11819	100.0
210.12152	6.2
211.13388	3.5
212.13818	0.2
213.02048	0.2
223.13335	0.3
225.11327	0.8
226.11803	0.2
227.12881	13.0
228.13281	1.0
235.08229	3.8
247.20703	1.1
253.09279	12.8
254.09622	0.7
263.20129	0.7
265.18127	0.6
273.18466	0.9
291.19638	16.3
292.19943	1.6
293.21143	1.8
294.21381	0.3
309.20694	39.1
310.21057	4.0
433.20505	0.4
445.20831	1.3
446.21536	0.3
463.21753	0.3
501.31915	0.5
545.29791	1.0
755.42004	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	755.4213
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	1.3
57.03432	3.2
59.01378	16.4
60.01751	1.0
61.98823	2.5
64.62675	1.1
68.22340	1.3
69.03443	2.5
69.58850	4.6
71.01379	46.1
71.05001	1.2
72.99277	1.3
73.02938	5.5
80.02667	2.1
81.03449	3.6
83.01365	2.9
83.05020	8.2
84.02175	1.5
85.02943	5.4
87.00875	4.7
89.02451	5.7
93.03439	1.1
95.01384	1.2
95.05015	2.8
96.30675	1.1
96.95992	2.4
97.02950	3.5
97.06551	2.7
98.19868	2.2
99.00851	4.1
101.02451	11.4
109.06591	10.4
110.03787	1.5
111.00904	1.5
111.04519	1.7
111.08136	5.0
113.02446	5.3
113.09750	1.2
119.03444	1.2
121.10261	1.2
123.04457	1.4
123.08152	1.1
125.06013	1.4
125.09674	3.9
127.11260	2.9
135.08145	1.8
137.09738	2.3
143.03499	1.8
149.09665	1.8
153.09163	1.7
155.10756	2.0
161.04526	4.3
161.09711	1.9
163.11256	12.2
164.11635	1.4
165.12843	2.8
167.10739	2.1
169.12332	1.5
171.10260	62.4
172.10594	2.6
177.12706	1.6
179.05560	1.5
179.10706	2.7
181.12381	6.5
183.13861	2.1
185.11771	3.2
189.09157	2.5
191.05591	3.5
191.10793	1.5
195.13914	9.9
197.11803	4.5
199.09688	2.2
199.13329	1.5
201.11301	26.2
201.13179	1.5
207.10243	29.1
208.10548	2.9
209.11810	93.1
210.12173	8.8
211.13306	3.7
215.12785	2.4
223.13338	5.9
225.11301	51.5
226.11592	4.7
227.12883	12.7
228.13440	1.4
235.08200	4.9
243.12285	3.7
247.20776	1.3
253.09259	26.7
254.09476	1.3
273.18607	1.7
275.20145	11.2
276.20370	1.8
291.19629	39.7
292.19983	4.8
293.21204	100.0
294.21512	11.2
295.10236	1.9
307.19260	1.7
309.20734	9.6
443.19128	3.2
461.20212	9.8
479.21472	2.4
737.41443	7.6
738.41296	2.1
755.42621	12.9
756.42407	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	755.4064
Annotation	Unknow
Peak:m/z	Relative Intensity
54.79051	0.9
55.01863	3.6
56.54231	0.8
57.03166	0.8
57.03436	3.2
58.00596	0.9
59.01375	58.5
60.01719	1.1
60.99293	1.6
61.98825	4.1
63.05626	0.8
69.03447	2.5
71.01377	41.6
72.01713	1.2
72.99291	3.5
73.02944	8.9
75.00863	1.0
79.95741	1.0
80.96491	1.2
81.03422	1.7
83.01380	7.1
85.02440	1.4
85.02940	24.4
87.00867	4.7
88.98810	5.1
89.02434	14.3
93.03447	6.7
94.99358	0.9
95.01376	6.1
96.96009	5.3
97.02929	3.5
98.19872	1.4
99.00876	4.9
101.02435	24.4
109.02914	2.0
111.00873	2.8
111.04500	1.2
112.01615	1.0
113.02441	19.5
115.75343	0.7
119.03505	5.1
124.01637	2.0
125.02433	5.4
127.03997	1.2
129.01903	1.1
129.15111	0.8
133.02924	3.5
135.04523	6.8
137.02435	1.6
143.03471	3.0
159.02971	1.5
161.02473	3.9
161.04506	4.6
171.13762	0.9
173.04532	4.2
177.01906	3.4
179.03410	3.7
191.05591	37.6
192.05869	2.6
227.03424	0.8
269.04547	1.1
285.03891	1.5
296.03314	1.0
297.04007	1.5
299.25845	2.1
301.03387	1.6
325.03314	2.3
331.04651	0.9
345.30042	6.1
399.18307	2.7
416.29974	0.8
448.07910	1.4
449.14282	2.7
489.34222	3.5
507.35336	6.4
508.35779	1.0
514.06921	1.0
519.32147	0.8
545.14520	7.5
546.14508	2.5
563.15448	1.4
651.39514	100.0
652.39923	20.2
665.27966	4.8
669.40594	53.8
670.40930	11.4
685.71265	0.9
711.41675	40.0
711.54163	1.9
712.41913	8.6
737.21393	1.6
755.31427	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	755.3727
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	19.1
61.98489	1.3
61.98825	78.5
71.01377	100.0
71.62415	1.9
72.27993	1.2
72.99316	1.6
73.02937	4.4
75.00889	1.6
79.95708	1.8
80.96518	2.0
81.03454	1.9
81.88376	1.3
82.02314	1.2
83.01371	3.5
83.05029	3.7
85.02948	10.3
87.00883	6.8
87.04480	1.3
88.98791	7.3
89.02444	6.4
89.36753	1.3
90.07140	1.2
90.51067	1.4
93.03474	2.6
95.01376	2.0
95.37852	1.5
96.95999	19.2
97.02923	4.5
97.06601	1.9
99.00887	3.7
99.04498	1.6
101.02426	9.8
109.02937	4.1
109.06585	13.1
110.03727	1.9
110.42233	1.1
111.04517	1.9
113.02441	5.4
121.06589	1.7
123.04520	2.6
125.02416	3.4
125.09707	6.9
127.11303	2.9
128.03535	1.5
130.61192	1.4
131.03496	1.7
133.02962	1.8
134.03743	1.6
134.38983	1.4
135.04539	6.0
137.02399	2.9
149.02417	2.3
151.03989	2.6
153.09178	1.8
155.10706	1.6
161.02423	3.7
161.04507	3.7
161.09747	2.0
163.11264	10.3
171.10248	47.3
172.10587	1.5
173.04480	4.2
177.01930	1.5
179.03441	5.1
179.05562	1.4
179.10693	1.9
181.12305	4.3
185.11815	1.8
187.09795	1.3
189.01851	1.5
191.03931	2.0
191.05598	21.8
192.05962	1.9
195.10135	1.2
197.11775	3.0
199.09724	5.1
199.13324	3.1
201.11331	12.0
205.08716	2.5
207.06622	3.5
207.10251	33.0
208.10545	2.1
209.11803	16.1
210.12186	1.5
221.38124	1.5
223.09752	5.0
225.11296	24.6
227.12889	2.6
231.06888	1.9
235.08263	3.1
243.12315	3.6
253.09259	7.3
258.01389	1.7
301.03610	3.2
331.04440	1.7
353.09024	1.6
363.78833	1.3
365.18051	2.5
413.20166	1.6
425.26297	1.3
435.19553	1.4
461.20029	5.9
487.20441	1.4
574.48022	1.6
616.30853	1.8
651.30353	1.8
651.40253	2.2
669.31421	2.3
669.41748	2.1
711.35394	8.1
712.35706	3.0
755.30176	2.1
756.35968	1.4
787.58185	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	755.3727
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	19.1
61.98489	1.3
61.98825	78.5
71.01377	100.0
71.62415	1.9
72.27993	1.2
72.99316	1.6
73.02937	4.4
75.00889	1.6
79.95708	1.8
80.96518	2.0
81.03454	1.9
81.88376	1.3
82.02314	1.2
83.01371	3.5
83.05029	3.7
85.02948	10.3
87.00883	6.8
87.04480	1.3
88.98791	7.3
89.02444	6.4
89.36753	1.3
90.07140	1.2
90.51067	1.4
93.03474	2.6
95.01376	2.0
95.37852	1.5
96.95999	19.2
97.02923	4.5
97.06601	1.9
99.00887	3.7
99.04498	1.6
101.02426	9.8
109.02937	4.1
109.06585	13.1
110.03727	1.9
110.42233	1.1
111.04517	1.9
113.02441	5.4
121.06589	1.7
123.04520	2.6
125.02416	3.4
125.09707	6.9
127.11303	2.9
128.03535	1.5
130.61192	1.4
131.03496	1.7
133.02962	1.8
134.03743	1.6
134.38983	1.4
135.04539	6.0
137.02399	2.9
149.02417	2.3
151.03989	2.6
153.09178	1.8
155.10706	1.6
161.02423	3.7
161.04507	3.7
161.09747	2.0
163.11264	10.3
171.10248	47.3
172.10587	1.5
173.04480	4.2
177.01930	1.5
179.03441	5.1
179.05562	1.4
179.10693	1.9
181.12305	4.3
185.11815	1.8
187.09795	1.3
189.01851	1.5
191.03931	2.0
191.05598	21.8
192.05962	1.9
195.10135	1.2
197.11775	3.0
199.09724	5.1
199.13324	3.1
201.11331	12.0
205.08716	2.5
207.06622	3.5
207.10251	33.0
208.10545	2.1
209.11803	16.1
210.12186	1.5
221.38124	1.5
223.09752	5.0
225.11296	24.6
227.12889	2.6
231.06888	1.9
235.08263	3.1
243.12315	3.6
253.09259	7.3
258.01389	1.7
301.03610	3.2
331.04440	1.7
353.09024	1.6
363.78833	1.3
365.18051	2.5
413.20166	1.6
425.26297	1.3
435.19553	1.4
461.20029	5.9
487.20441	1.4
574.48022	1.6
616.30853	1.8
651.30353	1.8
651.40253	2.2
669.31421	2.3
669.41748	2.1
711.35394	8.1
712.35706	3.0
755.30176	2.1
756.35968	1.4
787.58185	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	755.3489
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	0.8
56.79412	0.4
57.03424	1.1
58.00585	1.1
58.63231	0.3
59.01376	21.5
60.99700	0.4
61.98824	6.3
69.03435	0.8
70.89928	0.8
70.90266	0.5
71.01377	14.2
72.99299	1.5
73.02944	7.2
75.00861	0.6
81.03442	0.7
83.01397	2.1
85.02948	11.4
86.00082	1.4
87.00872	7.0
87.04498	2.6
88.98734	0.5
89.02444	6.5
93.03474	0.7
95.01371	1.6
96.95988	1.8
97.02940	0.8
99.00855	0.6
99.04490	0.6
101.02444	8.3
101.06077	25.8
102.06441	0.7
103.04003	3.8
109.02928	0.6
110.09550	0.4
111.25572	0.4
113.02440	8.8
113.03224	0.4
115.03998	3.3
115.07631	3.2
119.03461	2.1
122.24345	0.4
125.02428	1.9
131.03496	4.5
135.04463	0.7
137.02438	0.5
143.03477	4.5
143.07153	1.0
145.05022	0.8
151.03940	0.7
161.02440	0.7
161.04521	0.8
163.06126	3.3
173.04495	0.7
191.05598	5.2
205.07141	3.1
223.06102	0.5
232.99820	0.5
236.06725	0.6
237.07608	2.1
242.84451	0.4
247.08363	0.5
251.09343	0.6
251.83870	0.5
279.08759	1.1
301.03586	0.8
301.18015	3.2
319.19211	2.5
331.04517	0.6
399.18216	0.8
420.06232	0.4
463.23883	0.5
609.29083	6.7
610.29138	0.8
627.29932	4.0
651.39386	1.0
711.35913	100.0
712.36243	22.9
755.31226	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	755.349
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	1.7
57.03441	1.8
58.00576	0.8
59.01375	27.6
61.98830	5.3
67.13933	0.6
69.03455	1.1
70.74082	1.7
71.01379	18.5
71.24194	0.7
72.99286	2.7
73.02941	7.6
75.00859	1.5
78.99090	0.7
80.96493	2.8
81.03419	1.3
82.25587	0.7
83.01377	2.7
84.95111	0.7
85.02944	19.9
87.00877	7.8
87.04498	2.7
88.98792	3.4
89.02444	7.3
93.03452	5.4
94.98094	1.0
95.01375	2.5
96.96007	8.7
97.02940	1.2
98.95590	1.1
99.00882	1.3
99.04512	1.2
99.71664	0.7
101.02436	13.2
101.06075	26.5
102.05593	1.1
103.04009	3.8
108.02162	1.4
109.02924	3.3
111.04514	1.5
112.01691	0.8
113.02441	11.6
114.01964	0.8
115.00302	0.7
115.03986	3.1
115.07614	2.4
119.03481	3.0
119.77215	0.7
121.02914	1.6
122.03835	0.9
123.04515	0.8
125.02409	3.2
127.03989	2.0
128.03540	1.3
131.03496	3.6
133.02917	2.3
134.03749	0.9
135.04539	4.1
137.02414	2.0
143.03531	5.5
145.05000	1.1
146.97501	0.8
149.02393	1.8
150.03168	1.4
151.04060	0.8
154.02754	0.9
161.02411	3.3
161.04475	1.1
161.71548	0.7
163.06055	3.3
165.01872	1.2
165.85039	0.7
173.02507	0.8
173.04584	3.5
175.03937	1.2
176.01155	0.9
177.01884	5.2
178.02390	2.0
179.03447	3.0
189.01854	1.6
190.02660	1.6
191.05595	41.9
192.05936	2.3
195.06584	1.1
197.11681	0.8
200.61884	0.7
201.05412	0.7
205.04967	1.5
205.07069	2.8
209.11745	1.3
211.03886	0.8
217.01222	1.2
225.00763	0.7
227.03424	1.1
241.04910	1.1
253.05032	1.8
255.02977	0.9
271.05795	1.2
277.85028	0.8
285.03967	2.0
289.06989	1.0
297.03937	1.2
301.03525	1.2
301.17984	2.6
319.19025	2.2
325.03491	1.1
339.04996	0.9
367.10358	1.0
421.18155	1.9
448.07648	1.0
545.14557	7.9
546.14459	1.7
563.14978	1.7
609.29272	3.4
627.29962	3.4
632.07898	0.9
651.39240	7.1
652.39685	1.6
665.27301	0.9
669.40411	3.1
711.35809	100.0
712.36267	23.4
737.20447	4.2
738.21881	1.0
755.32776	4.8
756.27045	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	755.349
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	1.7
57.03441	1.8
58.00576	0.8
59.01375	27.6
61.98830	5.3
67.13933	0.6
69.03455	1.1
70.74082	1.7
71.01379	18.5
71.24194	0.7
72.99286	2.7
73.02941	7.6
75.00859	1.5
78.99090	0.7
80.96493	2.8
81.03419	1.3
82.25587	0.7
83.01377	2.7
84.95111	0.7
85.02944	19.9
87.00877	7.8
87.04498	2.7
88.98792	3.4
89.02444	7.3
93.03452	5.4
94.98094	1.0
95.01375	2.5
96.96007	8.7
97.02940	1.2
98.95590	1.1
99.00882	1.3
99.04512	1.2
99.71664	0.7
101.02436	13.2
101.06075	26.5
102.05593	1.1
103.04009	3.8
108.02162	1.4
109.02924	3.3
111.04514	1.5
112.01691	0.8
113.02441	11.6
114.01964	0.8
115.00302	0.7
115.03986	3.1
115.07614	2.4
119.03481	3.0
119.77215	0.7
121.02914	1.6
122.03835	0.9
123.04515	0.8
125.02409	3.2
127.03989	2.0
128.03540	1.3
131.03496	3.6
133.02917	2.3
134.03749	0.9
135.04539	4.1
137.02414	2.0
143.03531	5.5
145.05000	1.1
146.97501	0.8
149.02393	1.8
150.03168	1.4
151.04060	0.8
154.02754	0.9
161.02411	3.3
161.04475	1.1
161.71548	0.7
163.06055	3.3
165.01872	1.2
165.85039	0.7
173.02507	0.8
173.04584	3.5
175.03937	1.2
176.01155	0.9
177.01884	5.2
178.02390	2.0
179.03447	3.0
189.01854	1.6
190.02660	1.6
191.05595	41.9
192.05936	2.3
195.06584	1.1
197.11681	0.8
200.61884	0.7
201.05412	0.7
205.04967	1.5
205.07069	2.8
209.11745	1.3
211.03886	0.8
217.01222	1.2
225.00763	0.7
227.03424	1.1
241.04910	1.1
253.05032	1.8
255.02977	0.9
271.05795	1.2
277.85028	0.8
285.03967	2.0
289.06989	1.0
297.03937	1.2
301.03525	1.2
301.17984	2.6
319.19025	2.2
325.03491	1.1
339.04996	0.9
367.10358	1.0
421.18155	1.9
448.07648	1.0
545.14557	7.9
546.14459	1.7
563.14978	1.7
609.29272	3.4
627.29962	3.4
632.07898	0.9
651.39240	7.1
652.39685	1.6
665.27301	0.9
669.40411	3.1
711.35809	100.0
712.36267	23.4
737.20447	4.2
738.21881	1.0
755.32776	4.8
756.27045	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	755.3485
Annotation	Unknow
Peak:m/z	Relative Intensity
53.85713	0.3
55.01863	0.4
57.03435	1.1
58.00591	0.8
59.01374	15.8
60.99318	1.9
61.98828	4.6
69.03440	1.2
71.01379	15.2
71.05015	0.3
71.55885	0.5
72.99306	2.4
73.02943	11.9
75.00862	1.1
78.20895	0.3
83.01382	1.3
83.05022	0.7
85.02946	6.3
86.00092	2.3
87.00873	10.7
87.04516	4.6
88.98802	9.9
89.02431	4.5
93.03454	0.4
96.95986	1.9
97.02934	0.7
99.00879	1.0
99.04539	0.6
101.02437	5.4
101.06071	15.0
103.03986	2.1
113.02438	3.5
113.06038	0.5
115.03273	0.5
115.04012	5.7
115.07643	10.5
116.07996	0.5
117.49564	0.3
119.03506	1.2
122.27932	0.3
125.02436	1.6
125.06046	0.6
131.03496	8.6
143.03481	7.9
143.07169	1.6
145.05045	1.4
161.04492	0.8
163.06102	1.4
171.10193	1.8
173.08134	0.4
188.56316	0.4
191.05580	2.3
201.11252	0.6
203.03581	0.3
205.07133	4.2
207.06541	0.6
207.10175	0.9
209.11824	0.6
225.11327	0.6
231.06932	0.4
301.18234	1.9
319.18875	1.6
356.22238	0.4
481.24310	0.4
615.95764	0.4
627.30023	0.7
693.34479	0.6
694.70752	0.4
711.35895	100.0
712.36224	23.0
755.27820	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	755.3255
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	4.4
59.01370	16.2
60.99285	5.1
61.98824	64.2
66.18253	1.7
69.03437	1.8
70.86676	4.6
71.01375	24.7
73.02928	2.8
80.96523	2.0
83.04990	2.4
85.02927	4.7
87.00880	4.3
87.09776	2.4
88.98786	21.8
89.02429	6.0
93.03451	4.0
95.05005	1.8
96.96003	20.8
97.02930	8.3
97.06576	2.4
97.34447	1.8
99.00874	12.1
101.02416	6.6
109.02924	2.7
109.06577	10.3
113.02424	3.7
121.02926	2.3
123.04494	3.6
123.08102	1.9
125.02454	9.0
125.09686	5.0
135.04472	3.3
135.08136	2.8
137.02391	5.5
142.02727	3.4
151.04013	2.8
161.02377	5.2
163.11269	10.2
171.10236	6.6
173.04482	2.7
179.10608	2.8
181.12355	18.6
185.11812	3.5
191.05605	16.1
197.11739	7.0
199.13359	9.7
201.11293	2.4
201.18109	1.9
207.10229	51.9
208.10547	3.7
209.11771	17.8
221.11838	2.2
223.13293	2.2
225.11285	100.0
226.11658	7.8
227.12701	3.7
231.16080	2.6
235.08144	5.8
243.12294	18.8
244.12727	1.9
253.09213	6.5
289.07001	2.8
301.03754	2.3
309.20700	3.8
371.22186	5.4
389.23285	9.6
407.24445	4.1
443.19022	2.8
461.20267	26.9
462.20816	3.2
479.21246	9.1
511.23935	3.3
574.94574	2.2
607.31067	5.6
625.30591	3.6
651.29022	10.6
669.31110	24.7
670.31519	6.9
687.32294	46.3
688.32678	11.2
711.39697	2.5
719.34961	21.2
720.34656	3.3
755.33118	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	755.3252
Annotation	Unknow
Peak:m/z	Relative Intensity
54.22019	2.0
57.03455	2.1
59.01373	19.1
60.99292	2.0
61.98826	98.3
63.99252	2.0
69.03419	2.0
70.89256	4.9
71.01374	26.5
73.02954	3.6
83.01400	2.9
83.05010	2.4
84.62141	2.1
85.02942	6.9
87.00878	3.5
88.98798	22.9
89.02442	6.1
89.43672	2.2
93.03477	4.8
95.01378	2.3
96.96000	27.2
97.02949	7.3
97.06593	3.9
99.00875	11.6
100.56093	2.3
101.02445	8.4
107.04980	1.9
109.02962	3.6
109.06573	6.1
113.02419	5.3
121.02946	5.5
123.08132	2.9
125.02425	8.6
125.09673	3.7
127.04074	2.0
133.03006	2.4
135.04472	5.6
135.08148	3.0
135.11906	2.0
137.02434	5.5
139.12949	2.1
161.02463	6.4
161.04532	3.2
163.11288	12.9
171.10266	7.0
179.03366	2.1
181.12311	20.3
185.11746	2.9
189.02002	2.5
190.90152	1.9
191.03835	2.5
191.05585	21.2
197.11800	6.5
199.13359	11.0
201.43855	2.1
207.10242	43.5
209.04318	2.5
209.11829	14.6
209.53929	2.2
211.13536	2.4
225.11293	100.0
226.11536	5.7
235.08185	3.3
243.12360	27.1
253.09357	5.3
258.01630	6.2
272.03433	3.4
289.07275	4.1
301.03552	13.1
309.20599	4.1
313.03522	2.4
322.53836	2.4
331.04526	5.5
371.22290	2.3
445.16406	2.3
461.20218	25.9
479.21341	10.6
511.23947	2.8
651.28918	9.1
651.40509	3.5
669.31232	19.9
670.31519	4.1
687.32202	52.4
688.32501	13.5
711.39221	4.6
719.34943	27.1
720.35089	5.1
737.27460	3.5
755.29779	4.7
761.41913	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	755.2039
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03428	0.9
57.87807	0.4
59.01099	0.5
59.01371	6.2
67.01882	0.6
68.99828	0.5
69.03443	0.9
69.28708	3.9
71.01375	8.0
72.99297	2.6
73.02945	0.5
75.00864	7.3
81.03464	0.5
83.01343	0.4
85.02943	11.6
86.03230	0.5
87.00877	3.8
89.02448	2.0
91.29494	0.4
93.03454	4.1
95.01378	2.1
96.95951	0.4
98.20666	0.9
99.00867	4.4
103.00353	1.2
106.04195	0.8
107.05016	4.2
108.02140	1.7
109.02967	1.4
111.00890	0.6
111.04477	0.6
112.01620	0.4
113.01691	0.8
113.02441	11.6
114.02787	0.5
115.00376	0.8
117.01928	1.6
121.02901	1.3
123.04517	1.9
127.03948	0.7
129.01892	1.1
131.03445	0.4
133.02936	4.3
135.04509	1.4
137.02425	1.7
144.61522	0.5
149.02446	0.6
151.03989	8.8
151.74690	0.4
152.01149	0.5
157.01425	0.5
157.45329	0.4
161.02428	0.8
165.01874	0.5
173.04575	3.9
175.02444	0.8
179.03468	1.2
189.01753	0.4
189.03963	0.7
191.05597	22.6
192.05946	1.2
205.07124	0.9
231.05038	1.0
247.04588	1.4
249.06113	13.9
250.06345	0.7
267.07175	22.0
268.07486	1.8
299.07721	0.7
353.08716	2.3
373.03409	0.4
375.06821	2.1
383.09784	0.4
401.10837	100.0
402.11224	11.0
444.15714	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	755.2028
Annotation	Kaempferol 3-rhamnosyl-(1->6)-glucosyl-(1->6)-galactoside
Peak:m/z	Relative Intensity
53.00760	0.5
59.01374	1.3
61.51443	0.5
63.02408	0.8
65.00346	0.7
69.35059	2.9
69.35484	1.9
73.02954	0.8
83.01399	1.5
85.02954	2.0
87.00895	0.7
89.02430	0.8
93.03471	2.0
96.96023	3.1
107.01393	2.1
109.13379	0.6
119.05037	1.5
125.02473	0.8
132.02194	1.1
135.00854	1.8
135.04543	0.7
137.02434	1.1
138.37920	0.5
145.05061	0.7
151.00366	6.5
161.02408	0.7
163.00363	1.6
163.04030	1.6
164.01183	0.8
171.04578	0.9
173.04494	1.3
174.03177	0.7
175.03995	1.2
178.99847	1.3
183.04491	1.0
185.05978	0.8
187.04015	1.6
191.05600	16.2
192.06009	0.6
193.05061	1.3
195.04453	0.8
199.03972	2.9
211.03999	2.5
213.05582	1.2
215.03362	0.5
227.03467	38.4
228.03906	3.2
229.05005	3.5
239.03497	1.1
240.04208	1.1
241.05083	1.3
243.02934	1.6
253.04875	0.8
255.02957	75.3
256.03488	10.6
257.04504	3.4
258.02817	0.5
281.04672	0.6
283.02383	3.2
284.03232	100.0
285.03909	29.7
286.04291	1.9
297.03909	0.9
307.14334	0.7
309.03940	0.8
309.09647	1.0
417.19568	1.9
465.52029	0.6
545.14520	1.7
563.14801	1.2
575.14441	1.3
737.20575	2.3
745.05029	0.7
755.20331	77.4
756.20612	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	753.4192
Annotation	Unknow
Peak:m/z	Relative Intensity
56.93445	1.2
59.01371	3.3
61.98830	3.1
67.79832	1.0
69.88762	5.9
71.01376	2.5
73.02961	2.3
78.80727	1.1
78.95884	1.5
80.96527	1.3
87.00864	1.4
89.02438	1.2
98.20525	1.9
101.02455	3.5
109.06574	3.4
119.03491	1.5
119.79553	1.2
171.10265	7.3
181.08699	3.4
186.79620	1.2
189.09187	3.1
197.11873	1.5
199.09755	14.6
199.23643	1.1
201.11293	2.5
207.10237	22.1
225.11324	11.9
235.08231	10.0
253.09250	9.8
255.23273	100.0
256.23563	8.3
318.99210	1.2
417.17715	3.3
424.40393	1.4
443.19012	6.1
461.20078	2.7
491.32257	11.5
492.32401	2.0
521.78656	1.3
546.31604	1.3
655.41003	1.7
673.41626	52.9
674.42029	11.6
681.41925	3.4
699.43103	29.6
700.43634	8.8
717.44189	2.6
753.41803	21.7
754.42334	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	753.4058
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03430	1.0
59.01370	6.9
59.05642	0.6
59.59253	0.6
61.98830	4.1
69.03452	4.1
70.84010	2.0
71.01366	7.6
71.05009	1.3
73.02940	1.4
78.25311	0.7
80.02682	0.7
81.03458	1.2
83.05025	3.0
83.47558	0.6
85.02937	1.5
87.00871	1.3
88.55099	0.6
89.02438	3.2
91.03954	0.9
92.35110	0.6
93.03429	0.6
95.01376	0.7
95.04995	1.2
96.95982	0.8
97.02935	1.3
97.06585	2.7
97.94788	0.6
101.02444	5.3
106.59854	0.8
109.06587	1.4
111.04552	0.7
111.08140	1.2
113.02435	1.8
119.03455	1.4
121.06570	0.8
122.12698	0.6
123.04534	0.9
125.09708	2.6
151.11275	2.7
153.12857	1.6
161.04558	1.6
161.09628	2.6
163.11252	3.3
165.12837	2.3
169.12373	1.5
171.10262	8.6
177.12849	0.8
179.10783	6.9
181.12326	2.3
185.11842	0.9
191.05598	1.5
191.10735	1.9
195.13885	3.8
197.11815	63.8
198.12149	2.5
199.13322	1.2
200.86537	0.6
207.10268	3.6
209.11809	42.1
210.12198	2.7
211.13351	2.2
223.09656	1.5
223.13374	1.6
225.11310	6.2
227.12840	8.2
235.08144	2.0
241.10803	2.7
245.19124	2.0
245.72769	0.7
253.09283	8.0
263.20126	1.8
275.20139	4.6
289.18100	9.3
290.18451	1.1
291.19568	2.5
293.21185	10.1
307.19095	12.9
308.19458	1.7
309.20593	2.8
347.52942	0.7
445.20578	1.7
446.06390	0.6
459.18518	0.6
461.20102	1.3
477.19672	1.3
543.28070	1.4
555.69592	0.8
735.39124	1.4
753.40570	100.0
754.40924	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	753.3911
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00293	0.9
59.01373	8.6
61.98520	1.4
61.98826	21.4
68.99832	0.8
69.53075	0.7
70.58186	0.8
71.01379	67.6
72.01717	1.4
73.02934	2.9
74.64173	0.7
80.02670	1.6
81.03439	3.3
83.01394	1.6
83.05014	7.8
84.02154	1.3
85.02954	4.0
87.00868	2.3
89.02441	3.7
93.03440	1.5
95.00080	0.7
95.05011	1.7
96.96012	2.6
97.02956	3.4
98.20676	1.5
99.00873	3.7
100.92632	0.7
101.02444	5.9
109.06591	14.3
110.03737	1.6
111.41933	0.9
113.02466	2.8
119.03556	1.1
121.06581	1.0
125.02482	1.6
125.06043	1.5
125.09686	2.1
135.08131	1.7
139.58011	0.9
142.02655	1.1
161.04527	1.8
161.09688	0.9
163.11261	12.9
164.11493	0.9
165.12810	3.1
169.12390	0.8
171.10254	18.9
173.04585	0.9
181.12346	5.3
185.11787	3.3
187.09709	0.9
189.09195	1.4
191.05588	3.3
197.11790	1.3
199.09862	1.0
199.13379	3.4
201.11356	6.6
207.10239	36.6
208.10568	2.2
209.11809	100.0
210.12126	6.2
225.11292	32.0
226.11560	1.7
227.12863	11.8
228.13033	1.0
235.08243	3.7
243.12312	2.9
247.13203	0.8
253.09253	10.9
295.10446	1.0
399.21747	2.6
417.22791	1.9
418.16937	0.8
461.20331	7.5
462.20776	1.3
479.21484	2.1
635.30847	3.6
636.30676	0.8
653.32104	4.1
654.31494	1.1
667.40936	1.2
671.32990	7.9
672.33789	2.7
689.33716	2.8
690.34448	1.1
721.36633	6.6
722.37250	1.2
753.38715	2.7
754.38818	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	753.3907
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	1.3
57.94639	1.1
59.01373	12.2
61.98826	18.4
62.91788	0.9
69.03471	1.1
71.01378	77.5
71.05032	1.1
72.01747	1.0
73.02926	3.7
80.02676	1.5
81.03445	3.8
83.05021	8.2
84.02167	1.2
85.02962	3.2
87.00857	1.8
89.02440	4.1
93.03453	2.3
95.05051	1.4
96.95997	4.5
97.02917	5.0
97.06591	1.9
99.00896	2.9
101.02441	4.2
109.06580	13.6
113.02442	6.0
125.09713	2.8
135.04533	1.3
135.08171	2.7
136.05357	1.0
137.02478	1.1
161.04591	2.3
163.11293	15.6
165.12791	3.0
169.12317	2.6
171.10262	21.3
171.87308	1.0
179.03461	1.5
181.12323	5.9
185.11812	2.5
189.09157	3.1
191.05559	5.9
197.11888	1.4
199.09827	1.5
199.13367	2.8
201.11296	7.0
207.10251	38.1
208.10542	3.7
209.11809	100.0
210.12161	7.2
225.11293	32.0
225.13472	1.5
226.11739	2.7
227.12885	13.6
235.08186	3.5
236.92975	1.1
243.12399	4.4
247.13438	1.3
249.11122	1.3
253.09300	11.7
373.23990	1.1
399.21542	1.7
417.22910	2.5
443.19263	1.3
443.64194	1.2
461.20306	8.8
462.20456	1.1
479.21121	1.3
635.30640	4.2
651.11121	1.0
653.31970	5.0
671.32800	7.4
672.33337	3.6
689.33673	3.0
721.36395	4.8
722.36737	1.4
753.38531	1.9
782.57349	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	753.391
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	3.0
55.99947	0.6
57.03439	3.1
58.00589	2.9
58.72281	0.6
59.01377	81.3
60.01722	0.8
61.98830	9.8
68.99818	0.7
69.03448	1.5
69.65953	2.6
69.66366	1.4
71.01380	57.3
71.05022	0.9
72.01717	1.5
72.99297	3.3
73.02946	14.7
75.00887	0.9
79.95724	0.6
80.96518	1.0
81.03476	0.8
83.01379	7.5
85.02949	26.9
86.00079	0.9
87.00877	4.2
88.98811	0.8
89.02437	23.6
93.03434	1.5
95.01379	6.1
96.96015	8.1
97.02934	2.5
98.19987	1.5
99.00877	5.7
101.02436	31.6
102.02766	1.0
111.00870	2.9
113.02445	29.7
116.38889	0.7
119.03509	7.8
124.01650	1.9
125.02448	6.3
129.01909	1.7
131.03491	1.2
135.04478	2.0
137.02437	0.8
141.01945	1.1
143.03445	4.3
159.03011	1.3
161.02463	1.0
161.04567	4.6
171.13892	2.3
173.04485	1.2
179.05595	2.1
191.05571	6.7
273.04080	0.9
301.03522	2.6
331.04669	0.7
341.27167	0.9
343.28336	1.9
353.08701	0.8
389.15958	1.7
399.18460	2.7
400.18942	1.0
487.32874	8.2
488.32935	2.0
505.33835	9.4
506.33997	1.6
547.34998	1.2
649.37982	100.0
650.38324	20.7
667.39008	60.8
668.39410	14.0
673.21027	1.1
676.52338	0.8
709.40106	42.7
710.40527	12.2
753.17212	1.0
753.30719	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	753.3465
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	16.1
61.98823	62.0
69.03438	3.0
71.01378	21.9
71.61478	3.4
71.61864	3.3
81.03433	4.4
83.01408	3.7
83.05031	6.8
85.02943	6.9
87.00872	6.5
89.02441	7.6
95.05037	5.0
96.95998	31.7
97.02962	7.8
97.06546	2.7
99.00879	6.5
101.02427	11.6
107.58617	2.6
109.06586	19.5
111.08147	5.1
111.19173	2.7
113.02406	3.4
119.08647	2.4
123.04488	2.6
125.09739	5.7
135.08136	4.7
161.04520	4.7
163.11292	18.6
164.11609	2.5
165.12860	4.4
167.10736	2.7
171.10249	7.3
181.12346	13.7
181.58208	2.6
184.35709	2.6
185.11786	4.1
189.09383	2.6
191.05608	7.9
195.13844	3.4
197.11835	23.4
199.13403	9.8
207.10242	62.1
209.11792	61.7
210.12158	4.5
211.13399	5.5
223.13380	36.2
225.11304	100.0
226.11607	9.4
227.12869	13.1
235.08209	8.9
243.12419	12.3
253.09270	26.3
274.34653	2.6
289.18127	17.2
291.19629	14.6
307.18991	12.8
309.20737	35.0
310.20792	5.4
395.22116	2.8
413.23294	3.8
443.19116	9.2
461.20203	24.4
462.20657	5.8
479.21289	6.0
649.32330	11.9
667.33282	11.4
668.33759	3.4
685.34515	32.0
686.35132	4.8
717.37421	17.0
718.38123	2.9
735.39514	3.5
753.40790	20.4
754.40833	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	751.3903
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	19.4
61.98828	4.4
71.01378	7.4
73.02944	12.1
75.00860	0.5
83.01376	2.8
85.02966	0.8
89.02448	0.5
96.95998	1.2
101.02434	12.4
110.61872	0.4
113.02467	2.1
124.84343	0.4
125.02449	1.2
131.03477	1.2
143.03429	0.6
155.03514	1.0
157.83470	0.4
161.04561	1.1
163.30757	0.4
203.05568	1.5
207.06572	0.6
229.11534	0.4
292.39246	0.5
365.28317	0.9
389.28531	1.8
391.30014	3.7
393.31937	0.5
403.30139	0.9
407.29306	2.1
421.31259	0.9
423.32736	0.9
433.27423	1.2
435.28973	2.1
439.32043	0.8
457.33380	2.1
467.31451	1.4
473.32690	3.1
474.33011	0.7
485.32520	0.7
487.34451	0.5
499.34204	0.9
503.33728	100.0
504.34097	17.9
517.35413	4.0
545.34772	10.0
546.35291	2.0
578.13171	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	753.2968
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	0.6
59.01367	3.0
60.99298	1.0
61.13235	0.3
67.01890	5.4
69.03436	1.6
71.01382	3.4
72.99294	0.6
73.02933	0.8
75.00866	1.0
81.03441	0.9
83.05019	0.8
85.02944	5.3
85.03741	0.4
87.00870	6.5
89.04044	0.3
93.03451	30.9
94.03779	1.0
96.96031	0.7
98.14374	0.4
99.00854	0.9
99.04510	0.6
100.68732	0.3
101.02440	0.6
109.02954	1.3
111.00928	0.3
111.04506	4.7
113.02438	1.6
117.03433	0.8
121.02957	4.8
121.65730	0.4
125.02464	0.7
127.03957	1.7
129.01955	0.7
133.02922	0.4
134.03741	10.9
135.04433	0.4
136.68021	0.3
137.02440	1.5
143.03477	0.4
149.02415	0.4
149.06079	0.8
155.03485	1.6
160.01642	0.6
171.03073	0.5
173.04539	27.4
174.04877	0.9
175.04004	1.0
191.05597	100.0
192.05936	4.1
193.05017	6.9
194.05403	0.6
211.70656	0.3
212.60921	0.4
243.02727	0.4
249.06093	2.4
281.10281	0.5
297.03873	0.4
367.10291	46.8
368.10660	5.1
371.05481	0.6
371.09821	8.0
372.10040	0.8
385.11203	0.8
481.11545	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	751.3919
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01854	0.6
57.03426	0.5
58.00587	0.7
59.01377	20.6
61.98826	19.4
68.99798	0.5
69.03451	0.7
71.01377	9.9
71.62564	0.6
72.99306	0.7
73.02946	7.7
75.00861	0.9
79.95728	0.4
82.95407	0.4
83.01371	2.9
83.05026	0.6
84.95113	0.5
85.02945	2.9
87.00896	0.9
88.98785	0.6
89.02447	1.4
90.77048	0.4
93.03458	0.9
94.98054	0.4
96.96007	10.4
97.02930	0.7
98.95566	1.4
99.00883	1.0
99.04510	1.3
101.02431	10.3
113.02435	2.6
119.03500	0.6
125.02423	2.3
131.03510	1.1
133.02911	0.6
135.04520	1.1
137.02417	0.8
138.03073	0.3
143.03513	0.9
149.02461	0.4
149.04469	0.5
155.03516	1.2
161.02420	0.7
161.04520	1.3
161.13403	0.6
171.10252	0.8
173.04475	0.5
185.11696	0.5
191.05618	3.0
197.11696	0.7
198.49245	0.5
203.05528	1.9
205.12267	0.5
209.11801	1.9
215.03293	0.4
225.11307	0.6
231.06812	0.4
249.11140	0.5
263.12979	0.9
267.07339	0.4
289.07104	0.4
389.28629	0.5
451.31964	1.4
452.32639	0.5
477.29898	0.7
485.32257	0.5
495.31155	1.2
499.34207	1.2
503.33734	100.0
504.34106	18.0
504.39642	0.4
504.41666	0.6
507.31528	0.6
517.35327	4.7
518.35712	1.0
527.33698	2.3
545.34460	20.7
546.34900	4.0
587.36249	0.4
707.39111	0.6
750.73834	0.5
751.36743	4.0
752.36426	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	751.3751
Annotation	Unknow
Peak:m/z	Relative Intensity
57.47630	0.6
59.01376	16.2
61.98827	100.0
71.01375	10.0
71.55793	0.7
72.99320	0.9
73.02953	2.3
75.00875	1.9
79.95746	0.9
80.96519	1.0
81.16190	0.7
83.01395	1.2
84.95136	1.0
85.02969	1.7
87.00885	2.3
89.02456	6.4
96.96027	2.9
97.02970	1.5
98.19829	1.6
99.00897	1.0
101.02438	6.5
113.02473	3.1
119.03488	1.6
125.02460	2.3
125.09719	0.8
133.03047	0.7
143.03560	0.9
161.04597	0.8
171.10287	1.7
179.05638	2.5
191.05646	3.0
195.13858	5.6
196.14514	0.7
197.11746	0.9
207.10187	1.8
209.11763	4.7
210.12239	0.7
223.13416	2.9
225.11288	1.4
235.08232	1.8
253.09366	1.0
263.15543	0.8
275.20245	2.4
289.07126	1.3
293.21210	59.3
294.21542	5.9
389.97592	0.8
397.13513	16.7
398.13931	1.5
415.09207	0.6
415.14536	19.7
416.14899	2.3
487.34158	4.3
494.38065	0.8
691.36243	2.4
751.39026	1.5
752.36096	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	751.3422
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01361	0.1
61.86039	0.1
61.98808	0.2
63.29639	0.1
66.23359	0.1
67.77553	0.1
71.01375	0.1
78.95894	1.6
79.95731	3.4
96.96004	100.0
97.95953	0.4
112.03396	0.1
114.19392	0.1
147.55840	0.1
166.11780	0.1
191.05595	0.2
255.23238	0.1
309.20743	0.1
441.95715	0.1
453.09293	0.2
566.04663	0.1
653.01929	0.1
691.32349	0.2
710.17938	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	751.3744
Annotation	Unknow
Peak:m/z	Relative Intensity
52.67064	0.6
55.01864	1.1
57.03442	1.4
59.01376	28.1
61.98826	45.9
69.03455	1.2
71.01374	8.0
72.99314	1.2
73.02957	3.3
80.02673	2.3
80.96529	1.0
81.03449	1.9
82.95421	1.3
83.01369	2.2
83.05024	6.6
84.02164	1.8
84.82457	0.7
85.02946	4.7
87.00857	2.3
88.98827	0.8
89.02431	4.4
93.03469	2.3
95.01379	1.1
95.05025	0.9
96.96008	6.6
97.02908	0.9
97.06628	0.7
97.68707	0.7
98.95591	1.4
99.04516	1.4
101.02428	8.3
109.03011	0.7
113.02463	4.7
119.03487	1.0
121.02970	1.2
125.02443	2.2
125.06099	0.7
133.02948	2.5
135.04507	2.6
135.08127	1.3
137.02449	1.7
139.81143	0.8
144.97176	0.6
150.03229	0.8
151.11252	2.1
153.12827	1.9
153.45976	0.7
161.02441	8.7
161.04529	3.2
162.02782	1.1
163.11272	5.1
165.12778	3.5
169.12325	34.6
170.12634	1.7
171.10248	1.3
173.04617	1.1
179.03450	2.4
179.10739	1.0
181.04939	1.1
181.12280	1.2
191.05617	4.3
191.10715	1.9
191.40714	0.8
197.11815	61.0
197.91779	0.7
198.12172	4.0
201.11253	1.4
207.06651	1.0
207.10190	0.9
209.11807	100.0
210.12141	5.9
213.11345	1.1
227.12822	7.0
235.08214	1.3
253.09329	6.5
276.90515	0.9
289.07333	0.9
383.09735	2.2
417.15396	1.0
485.13046	3.3
486.13187	1.0
603.39624	1.2
605.15247	1.1
621.40100	2.2
687.32208	21.1
688.32715	5.3
713.20953	1.4
719.34894	53.7
720.35187	9.7
751.37555	66.2
752.37994	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	751.3423
Annotation	Unknow
Peak:m/z	Relative Intensity
61.76989	0.2
61.98820	0.5
62.90362	0.2
63.37466	0.2
70.20325	0.7
78.95889	1.8
79.95728	3.3
85.02950	0.2
92.83302	0.2
96.96002	100.0
96.96880	2.8
109.06551	0.2
111.04521	0.2
178.59566	0.2
191.05585	0.9
195.13741	0.2
207.10141	0.2
223.09727	0.2
223.13339	0.3
291.19748	0.3
301.21262	0.2
309.20819	0.3
624.30029	0.2
751.42023	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	751.2659
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	0.6
57.03433	1.2
59.01099	0.5
59.01376	7.4
67.01892	1.2
68.99808	0.4
71.01378	7.4
71.61106	0.5
72.99306	3.6
73.02945	1.4
75.00867	7.7
78.95889	0.6
83.01353	0.7
85.02949	13.9
87.00862	3.7
89.02415	2.3
93.03444	2.4
95.01377	3.4
96.96017	0.6
99.00880	5.3
99.50305	0.4
101.02450	0.9
103.00359	1.2
107.87085	0.4
109.03004	0.6
111.04490	0.8
113.02441	13.7
115.00413	0.9
117.01922	1.6
121.02948	50.7
122.03280	1.8
123.04539	2.3
125.02428	1.3
129.01938	1.0
131.03481	0.5
137.02460	0.7
142.06642	0.4
157.01448	0.7
158.06160	0.6
159.04510	0.8
161.02394	0.7
169.05115	0.4
173.04515	1.5
175.02432	1.2
191.05605	14.5
192.04109	0.4
192.05893	0.9
193.03535	0.9
204.06645	1.3
208.86632	0.4
214.36853	0.4
229.01408	3.7
231.05051	1.7
249.06128	11.2
265.05148	0.9
284.02249	3.1
289.07196	0.6
353.06360	3.3
367.10287	1.5
371.09775	100.0
372.10150	9.7
411.07358	0.7
527.11780	4.7
652.32642	0.4
719.18097	1.4
751.20081	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	751.2313
Annotation	Unknow
Peak:m/z	Relative Intensity
55.60104	0.1
57.03431	0.2
59.01371	0.7
67.01880	0.5
69.03450	0.2
71.01372	0.7
71.61298	0.1
72.99314	0.3
73.02929	0.2
81.03459	0.2
83.05016	0.2
85.02942	6.4
87.00873	1.2
93.03452	3.1
94.03773	0.2
96.96010	0.3
99.04510	0.2
107.15067	0.1
109.02960	0.7
111.04489	1.0
113.02443	0.1
119.05018	0.2
125.02395	0.5
127.03999	1.8
133.02969	0.3
134.03749	0.2
135.04611	0.3
137.02443	0.3
153.01900	0.1
155.03491	0.4
161.02393	0.2
163.03993	0.5
171.02945	0.4
173.04530	5.7
174.04846	0.2
177.04195	0.2
179.03401	0.2
190.08675	0.1
191.05592	100.0
192.05930	4.3
193.05084	0.2
207.08826	2.5
221.31172	0.1
224.05586	0.6
229.01447	0.1
289.07123	0.3
307.19058	0.2
325.09436	0.2
348.52728	0.1
353.08688	0.2
367.10162	0.2
397.18719	0.7
425.13181	2.2
426.13605	0.2
581.52234	0.1
645.89514	0.1
753.71423	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	748.5131
Annotation	Unknow
Peak:m/z	Relative Intensity
57.06880	3.2
59.01374	26.4
61.98833	3.2
62.16429	3.2
65.66737	2.8
66.22546	2.8
70.86935	5.9
70.87296	5.7
71.01378	19.7
73.29937	2.7
78.95914	3.2
83.01308	2.8
86.87157	2.9
89.02455	21.6
94.86852	3.3
101.02441	10.0
111.73103	2.8
113.02464	7.6
119.03490	13.0
121.64158	3.0
149.43164	3.2
165.42139	2.9
179.05553	11.2
225.22241	5.4
255.23143	4.6
256.23624	3.9
271.22705	3.5
444.93350	3.9
532.47668	17.8
550.48389	8.0
581.34265	3.4
712.53577	100.0
713.53912	30.4
748.51270	32.5
749.51501	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	749.3754
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01894	0.8
55.83075	0.7
59.01376	45.3
59.41321	0.7
60.91759	0.7
61.98833	7.4
64.99491	0.7
69.03452	2.1
71.01378	23.5
72.99271	1.2
73.02536	1.6
73.02943	28.9
75.00845	2.2
81.03476	0.8
82.95409	2.4
83.01392	9.3
83.05025	3.9
85.02930	3.3
87.00886	0.9
88.04047	0.9
96.96005	10.2
97.02911	1.4
97.06598	0.8
98.20659	1.5
99.00895	1.3
101.02439	35.0
113.02446	6.9
125.02468	4.1
131.03468	3.7
135.04541	1.0
143.03511	1.9
155.03477	2.7
160.37238	0.7
161.02457	1.8
161.04530	2.4
171.10249	1.5
173.04456	0.9
173.13232	0.8
189.12816	0.9
191.05605	2.4
201.11256	1.1
203.05579	4.8
209.11786	4.1
225.11267	1.0
253.09247	0.9
371.27649	0.8
405.27975	1.6
417.09952	0.8
417.28571	0.8
433.27350	2.0
435.28949	1.3
445.27512	1.8
447.29135	1.8
465.30310	1.6
471.30875	0.8
479.31659	2.9
480.89987	1.0
483.31152	10.3
484.30997	1.8
495.31528	0.9
497.32639	4.0
501.32199	100.0
502.32581	18.1
513.10236	0.8
515.33752	18.1
516.34094	3.2
543.33215	23.2
544.33405	5.5
573.34290	1.2
641.24603	1.0
645.36072	1.1
705.37335	1.1
749.34882	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	747.4531
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	2.8
59.01379	12.3
62.82470	1.4
69.87905	1.3
70.94492	4.1
71.01370	18.1
72.99281	6.2
73.10289	1.4
74.76842	1.3
75.00864	25.3
80.02677	2.0
81.03447	2.8
82.05305	1.5
82.90365	1.6
83.01378	3.1
84.02155	2.4
85.02941	25.8
87.00887	7.2
89.02440	4.2
95.01377	6.4
99.00870	15.5
103.00346	1.6
110.88682	1.4
113.02431	22.1
115.00331	4.1
117.01913	4.0
163.11214	5.7
164.77437	1.5
165.12866	1.7
175.02432	4.6
193.03502	1.5
209.11807	74.4
210.12161	4.1
227.12831	4.6
235.55168	1.7
255.20615	3.2
255.23280	60.1
256.23618	3.4
268.48431	1.7
351.72507	1.5
475.46143	1.8
487.29816	1.9
518.93256	1.6
715.42676	100.0
716.42987	22.3
747.45227	96.4
748.45642	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	747.271
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03429	0.3
59.01377	0.9
60.99305	1.3
65.03996	0.2
65.36878	0.2
67.01888	3.8
69.03447	1.3
71.01376	1.9
73.02942	0.2
77.87784	0.2
81.03437	1.0
83.05019	0.6
84.28094	0.2
85.02950	4.1
87.00870	5.3
89.03947	0.2
89.27758	0.2
93.03452	27.5
94.03782	0.7
96.96008	1.0
99.00854	0.5
99.04511	0.4
101.02493	0.3
109.02940	0.6
111.04507	3.6
113.02435	0.5
117.03461	0.7
117.53674	0.2
123.04543	0.4
127.04034	1.5
129.01923	0.8
133.02957	0.4
134.03734	9.2
135.04044	0.4
137.02454	0.8
149.06026	0.6
155.03508	0.7
160.01663	0.4
170.93694	0.3
171.02956	0.3
173.04527	10.3
174.04837	0.4
175.03966	0.8
177.01971	0.3
191.05592	100.0
192.05954	3.6
193.05011	5.9
204.06551	0.3
230.00250	0.2
245.31123	0.2
261.74301	0.2
286.01901	0.2
294.38647	0.2
313.09271	0.5
325.16644	0.3
351.07172	0.3
353.08432	0.4
367.10287	40.1
367.20786	0.9
368.10608	3.5
375.06937	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	746.2873
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	3.7
61.98826	32.8
71.01379	2.4
73.02940	1.3
79.95741	0.7
85.02953	1.6
87.00874	0.9
89.02446	1.7
91.05506	0.7
93.03458	1.1
96.96008	3.5
99.00912	0.9
101.02431	2.2
107.05042	1.6
109.02967	0.6
113.02428	0.8
117.03465	1.3
123.04478	0.9
125.02443	1.2
132.02107	0.7
133.02950	16.1
134.03754	5.5
135.04518	100.0
136.04860	5.2
137.02423	1.2
150.03203	1.0
151.03973	1.3
156.10260	2.8
161.02432	49.6
162.02805	2.3
165.05519	1.3
173.04611	1.2
177.53278	0.5
179.03485	63.7
180.03844	2.3
181.17462	0.5
191.05608	7.9
192.05940	0.6
195.06700	1.0
198.11304	2.9
199.09717	0.8
207.10353	0.9
223.05981	0.6
225.11261	0.9
353.08878	0.6
443.18457	0.5
493.95264	0.5
497.27499	1.5
498.27692	3.0
499.14264	0.6
683.29089	95.3
684.29480	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	745.5017
Annotation	Unknow
Peak:m/z	Relative Intensity
60.06255	7.6
78.95894	38.4
126.96722	8.3
152.99550	32.5
174.21638	8.4
177.82297	9.3
178.41328	9.3
180.99690	8.4
229.86685	11.7
253.21870	21.8
281.24823	100.0
308.65012	8.4
509.28751	98.9
510.29340	10.7
647.76410	10.1
702.81519	10.5
745.49988	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	745.2714
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	1.0
57.03447	1.6
58.00347	0.9
58.00587	5.0
59.01376	100.0
59.58602	1.0
60.01698	0.8
61.98828	67.7
65.16754	0.9
71.01379	69.1
71.62568	1.1
72.01723	1.3
72.99308	6.5
73.02952	2.8
79.95744	2.8
80.97876	0.9
83.01396	2.5
84.84777	0.9
85.02944	12.8
87.00877	5.0
89.02440	85.8
89.99239	0.9
90.02776	1.3
93.03451	3.5
95.01397	4.3
95.95289	1.1
96.96005	22.0
96.96593	1.7
98.95586	1.1
101.02438	38.6
105.09554	1.2
106.08463	0.9
109.02953	1.1
113.02444	30.1
119.03503	42.3
121.02960	3.4
122.03770	5.2
123.04504	1.5
125.02431	2.6
127.03956	1.1
131.03499	4.8
131.04407	1.0
133.02924	2.3
135.04515	4.4
136.01707	1.0
137.02443	1.8
143.03490	7.5
145.08684	1.8
149.02426	11.8
149.04512	3.1
150.03221	37.3
151.03813	1.1
161.02443	2.7
161.04576	5.5
163.03966	1.4
164.04778	2.2
165.01863	1.2
165.05557	31.3
166.05948	1.5
173.04546	2.7
179.03496	2.4
179.05595	15.3
179.07054	1.2
180.04305	2.3
180.05846	0.9
181.06575	1.0
191.05594	14.8
191.07216	0.8
192.06029	1.1
195.06607	22.2
198.56570	1.0
231.06918	5.1
239.06766	6.1
239.56857	2.3
268.07370	2.5
280.07327	1.4
283.09744	1.6
296.06696	1.5
308.06821	1.8
309.07681	2.1
311.09320	2.8
322.08487	1.8
323.09317	5.3
323.12500	1.3
324.06155	1.9
324.10068	1.2
338.11700	1.2
339.08701	15.1
340.08975	2.1
354.11121	6.0
365.17880	14.9
366.18192	3.3
369.13379	33.2
369.18195	1.7
370.13800	3.8
383.18808	4.5
384.19455	1.3
399.18393	4.2
517.18634	9.8
518.18854	2.4
521.33826	2.4
522.33948	2.3
682.28192	1.8
745.27374	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	745.2703
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03427	1.2
58.00595	1.4
59.01375	34.3
61.98832	15.3
68.40009	1.0
69.90014	3.1
69.90408	1.9
71.01377	27.7
71.02683	1.0
72.99297	3.0
79.95712	3.2
85.02941	6.7
87.00847	3.9
89.02435	33.0
93.03454	9.8
95.01381	1.9
96.96008	14.3
98.20544	2.0
101.02441	17.3
104.93178	1.1
107.05003	1.0
108.02151	2.0
109.02934	3.5
111.04487	1.2
113.02449	10.4
116.92847	1.2
119.03503	15.1
120.01249	39.2
120.76667	1.1
121.02946	11.5
122.03738	16.7
123.04528	1.6
124.01703	1.2
125.02413	2.3
128.03357	1.0
131.03497	2.7
132.02170	1.5
133.02956	7.9
134.03635	3.1
135.04524	22.1
136.01653	17.2
136.04840	2.5
137.02466	5.9
138.05624	1.3
143.03494	3.4
149.02429	29.8
149.04375	1.6
149.06108	1.2
150.03214	97.3
151.00383	3.6
151.04021	21.3
159.04454	1.3
160.01643	1.4
161.02431	15.0
161.04503	2.2
161.06029	1.6
162.02939	1.7
163.03987	3.7
164.03505	2.4
164.04749	6.1
165.05554	100.0
166.02686	13.6
166.05836	5.0
167.03401	3.2
173.04486	2.8
175.03937	5.1
177.01994	1.3
177.05560	2.7
179.03487	6.9
179.05553	4.8
179.06984	1.5
180.04138	7.4
181.05043	19.0
182.05409	1.2
189.05554	4.5
190.06320	7.4
191.05591	16.2
192.05936	1.5
195.06599	63.8
196.06927	3.2
203.05304	1.1
205.05025	1.6
205.08601	1.7
221.08255	1.5
227.12921	1.6
239.06630	9.8
239.56914	2.5
282.05447	1.4
308.06937	1.2
315.08658	2.3
323.12598	1.3
324.09683	1.6
329.10251	3.5
339.08655	7.2
341.06989	1.1
342.11310	1.1
354.11246	1.7
356.12430	1.6
357.09616	2.6
357.13379	9.1
358.09692	1.2
365.17847	5.0
366.18039	1.3
369.13321	16.2
370.13724	1.9
372.12070	3.3
373.12830	1.3
383.18149	1.6
386.13586	2.3
387.14465	43.5
388.14761	5.1
389.15948	1.7
399.18411	4.9
418.29626	1.2
451.10144	1.2
497.27332	1.6
505.18524	3.2
513.19714	1.5
535.19672	53.5
536.20099	10.4
553.21112	2.0
565.20490	2.9
575.11499	2.0
583.21802	42.1
584.21893	7.3
682.28015	10.1
683.28107	2.4
745.26593	5.2
746.26257	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	745.2708
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	1.5
59.01065	2.0
59.01371	39.0
61.98832	20.4
68.31550	1.6
71.01377	24.1
71.01759	1.8
71.62217	1.5
72.99306	2.4
73.02953	2.3
79.95721	2.6
85.02942	9.6
85.04430	1.2
87.00883	3.0
88.98781	1.9
89.02448	33.7
93.03456	9.5
95.01384	2.1
96.95997	18.3
101.02441	14.3
106.39525	1.3
109.02940	5.1
110.24333	1.3
113.02444	11.1
119.03490	13.7
120.01242	37.5
121.02951	10.7
122.03745	16.9
123.00876	2.6
123.04540	2.5
125.02444	3.7
133.02943	7.4
134.03682	2.9
135.04517	26.0
136.01648	20.4
136.04829	3.6
137.02493	8.1
138.05544	1.3
139.03949	1.7
143.03461	2.2
147.04457	1.6
149.02443	27.4
149.04385	2.4
149.06041	2.1
150.03220	100.0
151.00354	4.7
151.03999	23.3
152.01099	2.2
153.01961	1.6
161.02432	14.4
161.04514	2.7
161.05920	2.0
162.02928	2.7
163.03958	5.8
164.03482	4.3
164.04770	8.2
165.05556	98.5
166.02727	15.6
166.05878	4.4
167.03383	4.0
171.02820	1.3
172.05238	1.8
173.04518	3.0
175.03961	5.3
177.01932	1.7
177.05499	2.8
179.03502	11.3
179.05560	6.0
180.04170	7.1
181.05064	18.8
189.05557	3.1
190.02731	2.5
190.06323	8.7
191.03712	1.9
191.05583	24.1
192.05852	1.7
195.06616	64.6
196.06960	2.3
201.11353	1.8
205.04935	1.4
205.08629	2.3
209.11833	2.8
231.06796	1.8
239.06702	12.1
239.56711	2.2
241.04987	1.8
301.03540	1.7
315.08798	2.0
329.10349	2.8
337.11548	1.4
339.08505	4.7
340.08948	1.5
341.06693	2.0
342.10669	2.0
354.11075	2.9
356.12634	3.2
357.09674	4.3
357.13690	7.7
365.17957	3.3
369.13474	13.3
370.13724	2.5
372.12131	5.4
373.12579	1.7
383.18665	2.5
385.12878	2.1
387.14450	45.9
388.14767	5.0
399.18317	3.8
451.10278	2.0
482.01312	1.3
505.18683	2.9
535.19653	53.0
535.27869	2.5
536.19897	10.0
553.20862	2.8
565.21216	3.4
583.21741	43.9
584.22235	7.6
682.27832	14.8
745.25494	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	744.4021
Annotation	Unknow
Peak:m/z	Relative Intensity
55.79107	0.1
59.01379	0.3
61.98826	100.0
62.98516	0.2
69.81096	0.5
70.36559	0.1
71.01389	0.3
87.00901	0.1
89.02445	0.3
99.92004	0.1
101.02445	0.2
111.55909	0.1
116.92858	0.1
141.64090	0.1
168.00313	0.1
238.47897	0.1
281.24811	0.2
283.26495	0.4
284.26779	0.3
285.27179	0.1
391.95255	0.1
397.13672	0.2
398.14120	0.4
399.14188	0.4
400.14462	0.3
417.15210	0.2
418.15201	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	743.3702
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01366	1.0
60.99303	15.7
61.98829	4.6
64.16129	0.3
71.01388	0.5
71.62051	0.4
72.02508	0.3
75.33815	0.3
85.02953	0.3
87.00889	2.1
88.00391	4.2
88.98801	100.0
89.02436	19.7
89.03007	0.7
89.99121	0.9
90.02758	0.5
91.42524	0.3
101.02409	0.5
116.57117	0.3
138.74606	0.3
164.40932	0.3
165.37343	0.3
171.10287	1.2
173.04535	0.3
191.05579	3.0
204.56651	0.3
209.11742	0.7
255.23317	0.9
277.21634	0.6
278.21915	0.3
293.21234	1.3
397.13303	2.1
451.29004	0.4
486.89679	0.3
653.38025	0.4
663.41412	0.4
711.01062	0.3
743.32227	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	743.458
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	4.6
61.98815	2.0
69.03448	4.2
70.16249	3.4
71.01379	3.9
85.02946	1.6
89.02403	1.7
101.02431	3.3
113.02422	1.5
123.08089	1.0
125.09709	1.8
151.11302	2.3
152.99559	1.1
153.12872	0.8
161.09692	3.8
179.10767	6.3
197.11812	38.7
198.12146	3.0
223.09734	1.2
235.08136	2.1
241.10808	2.5
250.49185	0.8
253.09314	2.1
283.26401	68.6
284.26749	6.2
471.70056	1.1
583.66516	0.9
698.02948	1.2
722.88507	1.0
743.45795	100.0
744.46063	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	744.2716
Annotation	Unknow
Peak:m/z	Relative Intensity
52.07288	0.5
56.50088	0.5
59.01370	5.1
61.98829	20.6
63.99259	0.9
69.08218	0.5
70.90248	1.5
71.01366	4.3
72.99314	0.7
73.02943	1.3
82.99944	0.5
83.01385	0.9
85.02956	1.6
89.02444	3.0
91.05527	0.8
93.03460	2.9
95.05070	0.6
96.96007	7.1
98.95582	0.7
99.00888	1.6
101.02441	2.8
107.05043	1.8
109.02943	1.9
113.02428	1.2
117.03454	2.0
118.08589	0.5
123.04536	0.8
125.02456	1.5
133.02950	12.7
134.03734	7.1
135.04518	100.0
136.04863	5.2
137.02423	1.8
139.04027	0.7
149.02451	0.9
150.03183	0.8
151.03964	1.1
152.71419	0.6
161.02437	45.4
162.02786	3.4
163.04092	0.6
165.01949	0.8
165.05560	1.6
173.04523	1.3
175.03975	0.6
179.03487	59.7
180.03807	3.3
189.01936	0.6
191.05591	7.9
192.06027	0.8
193.05063	1.0
195.06635	1.1
284.47974	0.6
289.06995	0.6
296.44806	0.6
329.06619	3.9
359.07562	2.0
365.17905	1.8
383.19223	0.6
389.08914	0.9
439.65674	0.6
681.27557	84.8
682.27863	19.3
745.27655	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	743.3624
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03458	5.7
59.01374	36.8
59.09912	5.1
60.73046	4.9
61.98817	41.6
69.33282	42.2
69.33708	10.9
70.89715	5.9
71.01391	32.8
78.95904	8.0
81.03494	6.6
83.05000	13.6
85.02945	11.6
86.32878	5.4
87.00864	13.9
89.02437	6.5
93.03465	11.8
96.95991	48.3
101.02411	10.9
109.02975	10.0
109.06589	7.9
113.02442	11.9
125.02414	10.2
125.09718	12.8
132.94179	5.5
135.04482	11.2
137.02408	10.9
171.10266	18.7
173.04538	10.1
179.03467	8.3
187.09767	7.0
191.05635	37.3
197.11789	89.7
198.12206	6.1
199.09717	22.7
201.11328	13.8
203.07100	6.2
207.10245	21.9
208.10585	7.3
209.11821	100.0
211.13379	10.1
222.14990	8.7
223.13419	7.5
225.11284	25.0
227.12842	21.7
235.08345	6.9
253.09262	19.1
298.94485	5.4
383.18930	8.6
433.20752	7.3
445.20517	6.2
625.32458	11.7
712.35083	9.0
743.36420	50.0
744.36780	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	743.3127
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	0.5
57.03431	1.0
58.00582	0.3
59.01377	100.0
60.01717	0.9
69.03498	0.4
71.01382	11.8
71.61391	0.5
72.99308	0.5
73.02943	3.9
83.01378	2.0
85.02943	5.4
89.02450	1.6
93.03463	0.8
95.01371	0.9
96.96007	3.4
97.02996	0.5
99.00856	1.9
101.02437	9.2
102.41051	0.3
113.02453	4.6
119.03492	0.4
125.02448	0.7
129.02034	0.5
133.02928	0.5
135.04536	0.8
137.02463	0.5
151.00380	0.4
159.02971	1.0
161.02513	0.7
161.04552	4.7
167.89806	0.3
173.04579	1.0
179.03584	0.4
191.05600	5.3
191.07097	0.4
192.06035	0.5
192.32774	0.3
261.76233	0.3
269.10297	12.8
270.10687	1.0
271.02402	0.4
272.02823	0.6
280.03555	0.4
300.02905	0.6
301.03323	0.9
302.03592	0.5
311.11353	10.8
312.11652	0.6
355.10501	0.5
387.12866	1.1
387.20251	9.0
388.20746	0.9
707.29968	0.4
743.19873	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	742.2926
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	0.5
61.98826	100.0
69.41338	0.3
69.41754	0.8
70.89655	0.1
71.01396	0.4
85.02949	0.2
88.98808	0.3
89.02424	0.3
93.03479	0.3
96.96011	1.1
100.49244	0.1
101.02477	0.3
109.02951	0.2
113.64035	0.1
117.03427	0.1
123.04462	0.1
125.02413	0.2
133.03026	0.2
133.60106	0.1
134.03738	2.7
135.04550	0.6
137.02438	0.3
149.06105	0.3
150.03259	0.1
151.04028	0.1
160.01640	0.2
161.02425	0.3
171.10303	0.8
173.04597	0.4
174.06944	0.1
175.04041	0.4
179.03506	0.3
191.05600	1.8
192.06094	0.2
193.05034	3.7
194.05426	0.1
199.09743	0.3
201.11346	0.5
201.70436	0.1
207.10376	0.2
209.11801	1.3
225.11357	0.4
227.12891	0.4
229.31230	0.1
253.09360	0.2
271.83923	0.1
272.20392	0.1
327.16040	0.2
331.04810	0.1
399.18256	0.9
400.18735	0.8
401.18628	0.1
461.20184	0.2
645.31976	0.2
671.33368	0.3
679.29602	1.6
680.30237	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	742.3859
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01363	1.0
61.98826	100.0
71.01389	0.9
71.61403	0.3
73.02980	0.2
78.95912	0.3
79.22799	0.2
85.02949	0.2
89.02492	0.3
101.02452	0.7
113.02403	0.2
125.02446	0.4
149.57780	0.2
191.05620	1.0
201.11339	1.1
202.11652	0.5
209.11810	2.8
210.12135	1.2
227.12964	0.4
228.13321	0.4
253.09355	0.6
277.21680	2.8
278.22018	1.7
281.24786	0.4
282.25156	0.3
283.25516	0.4
397.13632	0.4
398.14270	0.4
399.14203	0.6
569.78461	0.2
657.25543	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	742.2564
Annotation	Unknow
Peak:m/z	Relative Intensity
52.65202	0.6
59.01374	7.6
61.98827	21.8
63.44073	0.6
65.29866	0.6
68.05174	0.6
69.83752	2.7
69.84177	1.0
71.01380	6.2
71.05020	0.7
72.99309	0.9
73.02942	3.0
85.02959	1.9
87.00899	0.9
87.37724	0.6
89.02441	6.9
91.05546	0.7
93.03446	3.0
96.96014	7.3
98.19888	1.3
99.00877	4.6
101.02440	3.4
107.05029	2.2
108.92277	0.7
109.02937	0.6
111.04482	0.8
113.02448	1.8
117.03472	0.8
119.51546	0.6
123.04449	1.1
125.02448	1.5
131.03485	1.3
133.02953	12.6
133.05069	1.2
134.03767	7.1
135.04517	100.0
136.04846	4.6
137.02458	1.9
145.02875	0.8
147.04433	0.8
149.02434	2.8
149.06123	0.7
151.03944	0.8
161.02434	50.7
162.02788	2.2
163.03926	1.0
164.04784	2.5
165.05434	0.6
173.04575	1.3
173.50192	0.6
173.67961	0.6
175.03989	0.8
179.03481	68.4
180.03871	3.9
190.02594	1.0
191.05595	8.9
191.07150	1.0
192.05917	0.9
203.03468	0.7
205.04979	1.1
207.06638	1.4
223.06071	4.9
251.05580	8.9
267.97867	0.7
289.07162	1.1
301.03909	0.7
311.07736	6.6
312.08041	0.9
331.04413	0.8
353.08725	15.3
354.09189	1.3
383.09851	10.2
383.14334	0.5
384.10226	1.3
413.10828	20.3
414.11194	1.8
458.33499	0.7
473.12952	11.0
474.13293	1.5
519.33087	1.8
520.33313	1.0
521.34583	1.1
563.37000	0.8
589.70294	0.6
627.30402	2.8
679.25952	71.4
680.26379	15.4
742.20874	1.7
743.21729	0.9
743.35272	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	741.4062
Annotation	Unknow
Peak:m/z	Relative Intensity
56.85009	0.3
59.01377	29.8
60.01711	0.5
61.98832	0.4
69.41939	1.6
69.42358	0.9
71.01392	1.7
72.02190	0.5
73.02940	2.6
76.58946	0.3
83.05036	0.7
85.02960	0.5
87.00838	0.3
89.02431	0.6
90.08509	0.3
96.95998	2.1
101.02448	1.1
113.02484	0.9
119.03500	0.3
132.13739	0.3
135.04495	0.4
155.03531	0.4
161.02464	0.5
161.04530	0.7
168.26019	0.3
175.90727	0.4
189.12799	0.4
191.05568	1.2
221.06641	0.3
231.07014	0.4
239.06734	1.3
269.44629	0.4
357.74069	0.3
365.17218	0.4
371.27097	0.4
373.29010	0.4
389.28473	2.3
390.28714	0.4
391.30063	1.4
399.18481	0.5
405.28113	0.5
407.29468	3.9
408.29987	0.9
419.29562	1.0
423.29037	1.7
424.29062	0.3
425.30661	0.4
437.30969	0.5
439.32147	2.6
440.32425	0.5
455.31488	0.5
457.33154	0.7
473.33044	0.9
483.31152	0.4
489.32193	0.9
501.32269	0.3
519.33209	100.0
520.33551	18.9
544.85217	0.4
561.34119	2.2
679.27161	0.4
681.38196	2.5
682.39130	0.5
741.40649	14.6
742.40863	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	741.4425
Annotation	Unknow
Peak:m/z	Relative Intensity
53.88565	0.9
57.03436	1.2
59.01369	4.0
59.46313	0.9
60.96997	0.8
61.04301	0.9
61.98814	1.7
64.74331	1.2
69.03455	4.5
71.01381	4.7
78.95898	4.1
85.02951	1.9
89.02423	1.7
98.24168	1.0
101.02438	3.7
108.63424	0.9
123.18320	0.9
125.09720	4.1
145.58791	1.0
151.11284	2.9
152.99596	1.8
161.09708	3.0
179.10744	7.4
187.09766	2.0
197.11812	40.9
198.12187	2.6
214.74420	1.0
223.09419	0.9
241.10927	1.7
253.09308	1.6
255.23167	1.4
277.21634	1.3
281.24823	80.1
282.25177	9.5
505.25830	3.3
741.44324	100.0
742.44568	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	742.2565
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	8.1
61.98826	21.8
65.64503	0.6
71.01374	5.5
73.02951	2.6
77.86951	0.5
78.95906	0.8
79.26495	0.8
79.26971	0.6
84.71225	0.6
85.02930	2.1
87.00872	1.4
89.02439	6.3
91.05508	0.7
93.03459	2.6
96.96002	7.2
99.00876	4.9
99.04527	0.6
101.02435	3.2
101.88987	0.6
107.05033	1.0
109.02966	1.6
113.02487	0.6
117.03477	1.3
120.76936	0.6
123.04543	1.1
125.02465	1.9
128.03596	0.7
131.03473	0.8
133.02959	16.2
133.05075	1.1
134.03748	6.5
135.04518	100.0
136.04840	4.8
137.02452	2.0
149.02420	2.6
149.06104	0.8
161.02432	49.8
162.02792	2.7
163.04002	0.8
164.04791	3.2
173.04565	2.2
175.03981	1.5
177.05493	0.9
177.34363	0.7
179.03484	71.2
180.03821	4.3
191.03194	0.6
191.03845	1.0
191.05603	11.7
203.03471	0.7
205.05070	1.0
207.06619	1.7
223.06065	5.0
248.07167	0.6
251.05545	8.6
267.64615	0.7
285.11353	0.8
289.07254	1.0
301.03827	0.7
305.06711	0.6
311.07684	8.8
353.08743	17.6
354.09152	1.9
383.09793	11.9
384.10394	1.0
413.10828	18.6
414.11133	2.0
473.12906	10.7
474.13409	1.6
480.45721	0.8
519.33160	1.4
520.33508	1.3
521.34192	0.8
627.30450	2.1
679.25983	69.5
680.26288	15.7
699.32983	0.7
742.23523	1.2
743.34167	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	741.4058
Annotation	Unknow
Peak:m/z	Relative Intensity
55.15523	0.5
56.30315	0.5
57.03433	2.3
59.01374	7.4
60.23770	0.5
61.98821	2.5
66.97988	0.6
71.01381	5.6
73.02942	1.7
83.01371	1.5
83.05029	1.5
85.02952	2.2
87.00874	1.1
89.02451	3.2
89.62510	0.6
93.03487	0.6
95.01410	0.8
95.05020	1.6
96.96024	2.1
97.06593	4.3
101.02426	4.3
107.08529	0.6
107.80891	0.6
111.08145	5.4
113.02461	2.5
119.03512	1.0
125.02403	0.7
125.09674	1.0
133.10208	0.7
134.03741	4.6
143.03535	0.6
149.09677	1.0
151.11285	16.0
152.11658	1.0
161.04546	1.1
167.10736	0.8
169.12328	77.7
170.12680	3.6
171.10278	1.8
173.04515	0.8
176.78392	0.6
179.05536	0.8
185.11803	2.2
189.01894	0.7
191.05568	1.6
193.05043	3.4
195.10272	2.8
195.16403	0.6
195.30826	0.6
197.10004	1.2
197.11812	22.2
198.12140	1.6
199.13434	1.2
207.10262	0.9
209.11880	2.8
210.04111	0.6
211.13411	3.0
213.11314	9.4
219.38989	0.6
227.12920	1.7
235.08205	1.6
238.62291	0.6
253.09239	4.0
263.20071	1.4
277.21716	0.7
291.19699	3.9
309.20706	6.1
310.21045	0.9
394.67719	0.7
431.19061	2.3
449.15237	0.5
449.20435	4.4
723.39197	1.1
741.40649	100.0
742.40961	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	741.3462
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01365	4.6
61.98828	13.9
70.99103	3.1
71.01365	6.7
73.02906	1.5
83.05027	1.8
85.02934	1.6
87.00863	2.5
88.98785	2.5
96.96008	11.2
101.02440	3.8
109.06597	3.4
113.02435	2.6
135.04498	2.2
161.04575	1.6
163.11238	2.7
171.10234	9.2
173.04504	1.8
191.05717	8.2
199.09698	3.9
199.29805	1.5
203.30046	1.5
207.10226	4.8
209.11809	100.0
210.12184	7.5
225.11284	7.6
227.12833	23.1
227.53333	1.7
234.86853	1.5
235.08093	2.6
253.09232	6.3
445.20581	9.7
446.21048	2.8
461.20111	2.0
593.24670	1.7
637.32080	2.7
655.33612	1.8
669.30847	2.3
687.31055	2.0
741.34607	32.3
742.34497	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	741.4064
Annotation	Unknow
Peak:m/z	Relative Intensity
52.94125	0.4
55.01883	0.6
56.01834	0.5
57.03443	1.6
59.01373	6.1
61.98812	0.9
69.03458	0.9
70.89089	1.2
70.89424	0.4
71.01376	5.0
73.02939	1.2
73.91753	0.5
81.03475	0.5
83.01392	0.5
83.05011	1.1
85.02927	1.9
87.00889	1.0
89.02430	3.2
93.03462	0.7
93.93615	0.5
95.01392	0.5
95.05015	1.5
96.95992	1.3
97.02945	1.8
97.06583	5.1
99.00890	0.5
101.02438	3.9
109.06596	0.8
111.08146	1.9
113.02455	2.6
117.03430	0.5
119.03560	0.7
123.08117	0.5
125.02455	0.6
125.09660	1.2
134.03738	5.7
135.04489	0.5
151.11267	15.2
152.11635	0.9
161.04570	1.8
165.12856	1.7
169.12328	74.1
170.12651	4.6
171.10284	1.6
181.12288	0.6
185.11865	0.8
191.05611	1.5
193.05011	4.5
195.10239	2.0
197.11807	11.3
198.12149	0.5
199.13310	0.5
209.11832	1.6
211.13353	1.2
213.11290	8.4
227.12807	1.2
235.08246	1.2
247.20720	1.2
253.09232	3.8
263.20383	0.6
291.19614	6.1
292.19977	0.6
309.20749	6.2
310.20865	0.9
327.21677	1.1
431.19254	2.1
449.20285	5.3
449.26096	0.7
505.31049	0.6
741.40649	100.0
742.41016	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	741.3465
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	3.7
58.85730	3.4
59.01369	19.4
61.98563	3.4
61.98831	37.1
63.83737	3.0
70.75481	7.8
70.75816	3.9
71.01377	24.7
72.99303	5.5
73.02934	5.9
75.00877	3.4
78.95882	4.4
81.03442	3.4
83.05020	4.0
85.02952	6.4
87.00867	6.4
88.98804	11.9
89.02432	9.5
93.03439	6.7
96.95992	37.9
99.00890	5.7
101.02422	11.3
109.02956	3.5
109.06574	13.0
111.04420	3.3
113.02428	7.0
125.02432	5.2
125.05994	3.1
125.09715	3.9
133.02977	4.6
135.04430	6.0
137.02367	3.4
163.11308	6.1
169.12250	3.4
171.10263	31.7
175.63155	3.3
179.10689	4.0
181.26703	3.1
191.05586	13.5
192.05794	3.6
197.11778	14.8
199.09763	22.3
199.96378	3.3
201.11279	5.7
207.10257	22.8
209.11809	100.0
210.12144	8.8
215.12918	5.4
223.09776	5.9
225.11290	39.8
226.11868	3.7
227.12842	24.4
227.14743	3.9
235.08221	7.8
253.09279	14.6
313.09592	3.7
318.48520	3.5
359.76999	4.1
435.18713	4.5
445.20499	5.1
461.20300	9.4
625.28595	8.8
637.32117	5.2
638.33051	4.5
643.30042	6.7
651.30341	3.8
655.32904	6.1
669.31256	5.7
687.32275	15.7
688.33130	5.3
741.34503	39.4
742.34979	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	740.4926
Annotation	Unknow
Peak:m/z	Relative Intensity
52.20598	0.1
58.70510	0.1
59.01382	0.4
61.98827	100.0
62.05870	0.1
62.80302	0.1
62.98515	0.2
79.21667	0.1
83.05009	0.2
85.02987	0.1
93.03458	0.2
109.02959	0.1
114.94599	0.1
116.06789	0.1
121.02953	0.1
128.66075	0.1
133.02921	0.1
135.04521	0.4
161.02466	0.1
173.04587	0.3
179.03523	0.2
189.01936	0.2
191.05594	1.7
192.06050	0.2
225.16066	0.1
273.98611	0.1
341.06512	0.1
342.07220	0.1
352.08130	0.2
353.08865	0.3
399.18576	0.1
401.11862	0.3
484.47992	0.1
518.32196	0.2
519.33368	0.3
678.50299	0.2
679.50531	0.3
680.50470	1.6
681.51184	0.1
740.49231	2.2
741.49738	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	739.4273
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	0.8
58.93866	0.8
59.01119	1.0
59.01379	8.5
61.98817	1.7
64.71652	0.8
70.82294	0.9
70.82626	2.0
71.01372	8.5
71.05000	3.1
73.02933	2.1
78.95901	1.1
83.01337	1.0
83.05013	1.2
85.02946	2.0
87.00859	2.1
89.02441	3.5
95.05014	1.1
96.96014	0.9
97.02940	4.2
97.06591	2.1
99.00868	13.2
101.02425	5.9
105.46966	1.2
109.06561	1.8
110.03757	1.8
113.02410	2.8
115.96117	0.9
123.08119	1.3
125.09724	7.6
135.08075	0.9
142.02654	0.9
143.22469	0.9
161.04562	2.0
161.09735	1.0
163.11310	8.0
171.10271	11.2
181.12335	11.4
188.87906	0.8
197.11838	1.2
199.13374	12.1
200.13704	1.2
201.11307	2.6
207.10262	32.1
208.10616	1.8
213.77762	0.9
225.11296	51.6
225.55418	0.9
226.11642	3.3
235.08179	3.1
243.12335	7.0
253.09262	5.6
277.21686	84.6
278.22061	10.2
279.23416	1.1
293.21054	1.0
311.22208	1.4
347.47931	0.9
352.33456	0.9
443.19009	2.1
461.20285	8.7
523.21881	0.9
544.36945	0.9
638.94727	0.9
721.41327	8.6
722.41534	2.6
739.42627	100.0
740.42987	30.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	739.4267
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	0.4
57.39558	0.3
58.00594	0.4
59.01096	0.3
59.01373	4.4
61.46743	0.3
61.98825	25.9
62.98526	0.2
63.99255	0.3
65.85197	0.2
69.75107	1.4
71.01376	3.2
73.02930	0.5
78.95895	0.4
80.02676	0.8
81.03449	1.3
83.01395	0.3
83.05022	4.2
84.02139	0.6
85.02937	1.0
87.00876	0.6
87.71614	0.2
89.02433	1.9
91.21461	0.2
95.05021	0.5
96.96017	0.6
97.02970	0.3
97.06595	0.2
99.00873	0.2
101.02431	2.5
109.06596	0.3
111.08130	0.3
113.02441	1.4
114.01988	0.2
119.03481	0.7
121.10216	0.5
125.02421	0.3
125.06067	0.6
135.08176	0.5
143.03418	0.4
149.87184	0.3
152.99583	0.2
161.04572	1.4
163.11279	3.1
165.12817	2.1
171.10287	2.0
179.05635	0.4
179.14357	0.3
181.12350	0.5
183.13969	0.4
185.11754	0.3
191.05679	0.5
191.10768	0.8
195.13887	4.6
196.14490	0.5
197.11821	0.7
199.13390	0.3
207.10249	0.3
209.11803	100.0
210.12157	6.8
211.13339	1.4
223.13326	3.0
224.13725	0.4
225.11337	0.3
227.12863	11.7
228.13440	0.9
231.21118	0.2
235.08217	2.9
253.09254	13.5
254.09601	0.8
256.13062	0.6
275.20132	6.1
276.20404	0.8
291.19678	0.3
293.21213	55.0
294.21548	6.0
309.20789	0.6
445.20929	1.4
463.21194	0.3
485.33276	0.3
529.29919	0.5
739.40546	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	739.4267
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	7.8
61.98811	2.8
71.01376	6.5
71.05006	1.8
71.62616	0.7
72.25925	0.7
72.99278	0.8
73.02926	2.0
78.95865	0.9
81.03440	1.0
83.05032	0.7
85.02964	1.7
89.02428	3.3
95.01406	1.0
96.96004	4.2
97.02949	4.3
99.00326	0.9
99.00876	10.4
101.02422	4.3
109.06573	1.4
110.03726	1.1
113.02412	1.6
119.03484	1.0
125.09737	4.3
126.88580	0.8
127.11279	1.0
129.72177	0.8
142.02684	1.6
161.04575	1.8
163.11270	7.0
171.10258	12.4
179.05627	0.8
181.12340	12.3
197.11934	1.4
199.13380	20.1
200.13663	1.7
201.11307	2.2
207.10263	28.6
208.10548	1.9
211.13206	1.0
225.11308	47.9
226.11592	3.0
227.12863	0.9
235.08194	2.8
243.12373	12.2
244.12686	0.8
253.09247	4.7
277.21701	46.1
278.22092	5.4
281.24680	0.9
297.66367	0.9
352.83057	0.8
397.13208	1.5
419.45938	0.8
443.19971	0.7
461.20258	8.2
462.20773	1.3
479.21100	2.6
721.41486	4.7
722.42493	1.0
739.42633	100.0
740.42987	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	739.4099
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	0.5
57.03431	0.9
58.00584	1.9
59.01376	26.6
61.98822	1.1
68.99831	0.4
69.03441	1.3
70.02504	1.5
71.01378	27.8
72.72837	0.4
72.99292	1.8
73.02938	3.6
75.00874	0.5
81.03442	0.9
83.01389	2.6
83.05000	0.5
85.02948	5.6
87.00873	5.9
89.02438	21.0
93.03468	0.5
95.01371	1.5
97.02946	4.0
99.00882	3.5
101.02434	19.5
109.02910	0.5
109.06622	0.8
111.00851	0.7
111.04499	1.1
113.01691	0.7
113.02442	10.4
115.81079	0.4
119.03484	6.5
121.02938	0.5
125.02436	8.8
125.09680	0.7
131.03528	0.7
133.05051	0.9
139.03990	0.9
141.01918	0.6
143.03473	3.6
149.04533	0.6
161.04536	4.3
163.11279	1.0
167.03531	0.6
171.10229	4.5
179.05598	4.2
181.12305	1.5
185.04575	0.5
199.13377	1.5
201.11308	0.7
207.10214	3.9
208.10654	0.4
209.11769	0.9
211.13409	0.8
221.06651	1.7
225.11304	8.5
226.11769	0.6
235.08211	10.9
236.08470	0.7
243.12387	2.6
244.12753	0.4
253.09236	2.9
263.07669	0.8
277.21671	9.4
278.22083	1.5
281.24823	72.5
282.25198	7.4
287.07709	2.7
293.21188	0.6
295.26282	0.5
305.08725	4.4
318.66360	0.4
323.09921	1.3
358.74701	0.4
379.12296	0.6
397.13458	100.0
398.13879	8.1
415.14508	29.1
416.14847	2.5
479.21188	0.6
679.38940	4.5
680.39526	1.3
721.43011	0.5
739.42657	10.9
740.43085	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	739.3908
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	1.9
57.44252	0.6
58.00582	1.5
58.45579	0.8
59.01377	34.6
60.99280	0.8
61.98813	2.5
62.14928	0.6
65.95672	0.7
71.01377	27.5
71.05005	0.6
71.61788	0.6
72.99287	1.9
73.02935	4.4
75.00875	0.8
79.95734	0.7
81.03442	0.6
81.13150	0.7
83.01388	2.2
83.05062	0.6
85.02946	12.5
87.00864	1.8
88.03973	0.6
89.01915	1.2
89.02441	21.1
93.03442	4.2
95.01382	1.6
96.96004	15.0
97.02948	1.1
99.00867	1.3
101.02438	19.3
102.43785	0.6
109.02949	2.2
111.04472	0.9
113.02444	11.2
119.03487	7.8
121.02945	0.8
123.04481	1.6
125.02423	1.9
127.03986	0.8
131.03537	1.0
132.74402	0.7
133.02972	1.4
134.03696	1.0
135.04501	4.0
137.02426	2.0
143.03462	1.4
151.03967	1.3
159.02979	0.7
159.08873	0.6
161.02521	3.9
161.04507	6.2
165.01926	1.4
173.04553	4.3
175.03970	0.8
177.01871	1.1
179.03456	3.6
179.05612	3.6
181.10355	0.8
191.05600	24.2
192.05969	5.1
193.06119	1.7
199.03957	0.7
217.01399	0.7
239.06694	0.8
243.02812	0.8
269.04581	0.7
289.07065	1.6
290.07635	0.8
297.04007	0.8
298.03961	0.9
301.03369	1.2
312.71924	0.7
337.81436	0.7
353.08920	1.0
375.80161	0.7
387.26910	2.3
389.24304	1.1
389.28632	2.5
391.26242	0.9
407.29422	1.4
421.27182	1.2
437.30661	4.8
439.28345	1.3
440.29260	0.8
449.14462	1.0
451.28387	1.3
453.30240	1.1
455.31662	2.7
467.27780	1.6
469.29669	5.6
470.30063	1.1
473.32639	3.4
474.32843	0.9
487.30698	3.2
503.16623	0.7
517.31586	17.9
518.32233	3.2
547.15216	1.5
564.39862	0.9
599.36041	1.3
617.36804	4.2
631.35364	0.9
635.37732	7.4
636.38434	1.7
649.36115	1.9
679.36932	100.0
680.37201	22.0
739.21014	1.0
739.36829	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	739.3905
Annotation	Unknow
Peak:m/z	Relative Intensity
51.69764	0.5
54.74314	0.6
57.03438	1.9
59.01378	9.6
61.98824	5.1
67.05441	0.6
69.03456	1.1
71.01381	8.5
71.05064	0.6
71.09322	1.2
71.68722	0.6
72.99319	0.5
73.02945	1.3
78.95905	1.5
80.02680	0.7
81.03460	2.6
83.01395	1.6
83.05007	5.1
85.02966	2.3
87.00874	1.6
89.02428	4.9
93.03436	0.9
95.01411	0.6
95.05004	1.6
96.96011	1.0
97.02956	1.6
97.06564	4.7
99.00880	0.6
101.02433	6.4
109.06595	1.7
111.08182	0.8
113.02438	3.7
119.03498	0.6
123.04559	0.9
123.08151	0.8
125.09695	3.1
135.08145	1.7
137.09750	0.8
141.01770	0.8
143.03514	0.6
149.09677	1.1
151.04047	0.6
151.11269	11.9
152.99574	1.0
154.75121	0.7
161.04553	2.0
163.11229	4.5
165.12822	2.2
169.12323	49.5
170.12656	2.7
171.10211	2.3
179.10750	1.1
185.11819	2.8
191.05673	1.0
191.10736	0.6
191.14348	1.1
195.10223	2.1
195.13867	6.2
196.14403	0.7
197.11824	1.5
199.13338	1.0
207.10190	3.1
208.10448	1.0
209.11809	100.0
210.12126	5.6
211.13434	4.4
213.11302	7.0
219.35844	0.6
223.13434	4.1
224.13925	0.6
225.11334	1.9
226.11855	0.7
227.12868	15.2
228.13332	1.4
235.08173	3.9
245.19130	2.5
253.06612	1.0
253.09261	19.4
254.09566	1.1
256.13132	1.4
275.20081	5.8
289.18134	5.0
291.19684	1.5
293.21194	79.4
294.21539	7.9
307.19180	3.7
309.20663	1.5
431.19302	5.4
432.19739	0.8
445.20770	0.9
449.20087	3.8
457.99649	0.8
463.21594	0.9
477.96243	0.7
503.33725	0.9
531.41650	0.6
623.30573	2.4
626.52911	0.7
641.31628	4.5
642.31445	1.0
721.37854	1.3
739.39056	51.5
740.39325	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	739.3905
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	1.7
57.03429	1.8
58.00589	1.2
59.01376	32.1
60.99298	0.7
61.98813	1.9
67.01888	0.7
69.03464	1.0
71.01379	33.1
71.04996	0.5
72.01700	0.7
72.99306	3.2
73.02948	8.6
75.00846	0.9
79.95725	1.5
82.02354	0.5
83.01389	4.6
83.04990	0.7
85.02947	16.3
87.00880	2.8
89.02441	11.8
93.03456	4.8
94.03778	0.7
95.01366	3.1
96.96001	20.4
97.02934	1.0
98.20635	1.3
98.95590	1.2
99.00873	3.2
101.02436	24.4
101.87314	0.5
102.02786	0.6
108.02146	0.6
109.02940	2.9
109.38297	0.6
109.39085	0.5
111.04503	1.3
113.02440	13.5
114.02790	0.7
119.03493	3.4
119.05017	0.8
121.02866	0.8
123.04543	1.1
124.01633	0.5
125.02423	2.1
127.03905	0.6
133.02960	1.6
134.03743	3.2
135.04523	4.1
137.02467	3.2
143.03487	1.2
143.09122	0.6
149.02415	1.5
149.06078	0.7
149.75378	0.6
150.03186	2.5
151.03960	1.6
155.03534	0.6
159.02954	2.1
159.04422	0.9
161.02467	3.8
161.04533	6.9
162.02837	0.5
165.01930	1.0
165.05571	1.5
167.88426	0.5
173.02414	0.9
173.04562	5.3
174.03264	0.6
174.04744	0.6
175.03909	2.0
177.01874	2.5
178.02562	1.1
179.03468	3.0
179.05682	0.6
183.11736	0.7
187.04033	0.9
189.01886	1.3
191.05605	37.7
192.05942	3.9
193.05060	3.8
203.06921	0.6
205.05032	0.7
217.01309	1.2
225.05608	0.6
231.06932	5.8
231.57083	1.4
239.06651	3.7
239.56841	1.1
241.04982	0.7
243.02824	0.8
253.04916	0.8
253.23373	0.7
254.05435	0.7
255.06174	0.8
258.01599	0.6
284.47467	0.6
289.07037	1.8
290.07520	0.6
297.03964	1.3
298.04327	1.0
299.04803	0.8
301.03577	0.8
329.06458	0.6
341.10495	1.5
351.21689	1.2
353.08798	1.5
354.09097	0.7
363.08624	1.0
365.17853	12.6
366.18192	2.8
367.17462	1.3
371.11435	0.7
371.27347	0.8
381.16663	0.7
383.19034	3.8
384.19324	1.0
385.09744	1.0
387.26953	0.8
389.12500	0.7
399.18524	2.9
403.26367	1.4
405.27927	1.1
419.29330	1.2
421.27267	0.7
435.28989	0.7
437.30396	1.0
443.31583	0.6
449.08252	1.0
449.14459	1.3
455.31937	1.3
463.14746	1.0
469.29617	1.8
473.32590	1.2
487.30856	1.2
499.30591	1.0
503.16702	0.7
517.31531	6.4
518.31891	0.8
529.13763	0.7
543.20764	1.1
547.15308	4.1
548.15436	0.7
576.64276	0.6
599.36035	3.6
600.35760	0.6
617.36945	9.8
618.37268	2.2
631.35156	1.1
635.37927	16.1
636.38489	4.0
649.35626	2.9
650.36298	1.0
679.36920	100.0
680.37231	25.2
714.49030	0.6
739.23358	1.7
740.21393	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	739.3751
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00313	0.5
57.03438	0.8
58.00577	1.4
59.01374	10.2
61.98825	7.4
67.01895	0.6
68.99818	0.6
70.84927	2.0
71.01377	74.6
71.04991	0.9
72.01710	1.0
72.44415	0.5
72.99292	1.4
73.02945	2.3
80.02658	1.5
81.03452	2.4
83.01372	1.1
83.05021	6.4
84.02164	1.4
85.02936	3.9
87.00864	3.0
88.98800	2.2
89.02438	3.8
93.03446	2.6
95.01366	1.0
95.05019	1.6
96.96004	14.4
97.02958	3.0
97.06594	0.9
98.19962	0.8
99.00888	2.1
101.02425	5.7
104.37590	0.7
108.93456	0.6
109.02947	1.5
109.06590	8.2
111.04498	0.9
113.02433	2.1
119.03455	1.2
125.02421	1.9
125.06052	1.3
125.09710	3.7
127.11282	2.8
128.03528	1.1
133.02908	1.0
134.03734	0.8
135.04510	2.5
135.08148	1.5
137.02409	1.9
137.09721	1.1
142.02679	0.8
146.04593	0.7
149.02396	0.8
151.03969	0.7
152.01064	0.8
155.10738	1.3
161.02481	3.0
161.04570	1.7
161.09677	0.7
163.11266	9.1
164.11618	0.6
165.01959	0.8
165.09180	0.9
165.12782	2.5
169.12338	0.8
171.10255	50.1
172.10655	2.7
173.04565	1.4
179.03429	1.4
181.12302	4.3
185.11763	1.5
187.09734	0.8
191.05598	14.6
191.10631	1.2
192.05968	2.1
197.11717	0.9
199.09737	7.2
199.13374	1.4
201.11302	31.3
202.11656	1.9
207.10228	22.3
208.10593	1.5
209.11809	100.0
210.12132	7.7
215.12833	1.0
225.11311	22.6
225.13542	1.1
226.11600	1.7
227.12874	13.4
228.13147	1.2
235.08200	4.9
237.07660	1.3
243.12303	2.5
253.09264	13.0
289.07202	1.4
301.03308	1.0
399.21368	0.6
407.19058	0.8
427.10596	0.7
435.18787	2.1
437.20245	1.3
443.19070	1.4
445.20566	0.9
461.20178	6.0
462.20523	1.3
479.21146	1.5
509.94614	0.7
530.98279	0.6
570.86432	0.7
609.28833	1.7
627.29797	1.6
635.30328	1.5
645.31250	2.5
653.32092	2.4
654.31732	0.9
663.33496	1.0
671.32617	3.9
672.33301	1.9
679.38422	1.2
689.34161	1.7
695.35626	1.0
707.34790	3.5
721.37274	0.9
739.36859	2.9
740.36816	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	739.3755
Annotation	Unknow
Peak:m/z	Relative Intensity
55.22441	2.3
59.01374	18.5
60.99309	3.4
61.98832	32.7
62.83463	2.2
71.01377	92.2
71.92297	2.0
72.99306	2.6
73.02950	7.3
78.59720	2.1
79.95763	3.3
81.03463	2.5
83.01370	3.2
83.05025	7.0
85.02958	7.7
87.00890	5.7
88.98802	18.5
89.02441	7.8
93.03470	6.9
96.96007	61.3
97.02941	4.3
99.00864	3.3
101.02441	9.2
109.02956	5.6
109.06593	16.7
110.06879	2.2
111.00878	2.3
112.11394	2.3
113.02476	4.8
113.83302	2.5
116.92865	4.6
119.03507	2.6
125.02452	7.3
125.06062	2.3
125.09718	7.4
127.11280	3.7
135.04523	8.4
137.02429	7.5
149.02472	2.5
150.03183	2.9
161.02434	8.0
161.04584	4.9
163.11259	9.7
165.01939	2.3
171.10280	41.9
172.10553	4.2
173.04477	5.0
177.01895	3.3
179.03465	7.8
181.12386	6.5
185.11858	4.9
191.03960	3.7
191.05606	45.6
191.10992	2.9
192.06000	3.9
197.11775	4.2
199.09741	7.3
199.13367	2.5
201.11296	50.8
202.11688	2.6
207.10231	40.2
208.10608	2.5
209.11818	100.0
210.12114	6.7
225.11284	37.5
226.11557	3.4
227.12868	13.7
231.06972	7.0
235.08226	5.7
237.07701	4.7
239.03539	2.3
239.51332	2.5
243.12271	2.6
253.09238	13.6
289.07193	2.6
297.04211	2.5
350.80545	2.7
353.08734	4.9
365.17831	4.5
451.10675	2.5
451.39056	2.1
461.20178	5.9
645.31250	6.6
646.32166	2.5
653.32056	3.0
671.32550	4.7
672.32379	2.7
694.26239	2.7
739.40302	5.2
740.34772	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	739.3311
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	6.7
59.01380	93.3
61.98831	96.5
69.71155	31.7
71.01376	51.9
73.02953	17.2
82.10962	5.7
83.01377	9.3
85.02933	28.6
87.00868	7.8
88.98808	19.0
89.02455	27.2
93.03452	9.2
96.96009	19.5
97.02961	7.0
99.00877	9.6
101.02444	28.9
113.02456	26.4
113.03615	5.4
137.02435	8.8
151.04089	6.7
162.85497	6.2
165.07452	6.2
173.04576	6.8
181.12299	6.6
182.14522	6.3
191.05597	32.2
207.10158	14.6
209.11827	48.1
225.11261	34.6
227.12917	7.0
349.24289	6.5
461.20193	10.8
607.85681	7.6
635.40100	77.5
636.39850	12.6
653.31415	28.8
653.41345	47.3
654.31873	13.7
654.41608	6.6
671.32910	18.6
695.42761	31.5
696.43140	11.6
739.33038	100.0
740.33655	30.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	739.2089
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	2.9
59.01378	6.4
60.99294	2.2
67.01888	5.9
69.03435	2.1
70.15620	2.4
70.16010	3.0
71.01377	11.6
72.99303	2.0
73.02922	1.1
75.00871	8.2
81.03471	1.9
83.01377	3.5
85.02953	13.8
87.00868	9.0
89.02423	1.9
89.03942	1.3
91.97385	1.3
93.03454	35.6
95.01363	3.0
95.05026	1.3
96.96005	5.4
97.02944	2.5
99.00870	4.8
109.02938	11.0
111.04519	6.3
113.02449	11.9
117.01929	1.9
117.03481	1.3
121.02950	44.2
122.03278	1.6
123.04512	4.9
125.02458	6.6
129.01976	1.2
133.02921	4.8
134.03738	13.2
135.04521	1.1
137.02448	11.6
147.04567	2.0
149.02405	2.2
149.06067	1.4
150.03191	1.5
151.03928	5.6
155.03513	3.3
157.01404	1.2
161.02426	11.0
165.01892	1.7
173.04533	52.0
175.04012	2.7
177.01920	40.1
179.03479	3.0
187.03900	1.2
189.01971	3.8
191.05600	89.0
192.05907	2.6
193.05008	11.8
203.03519	2.1
203.07132	4.1
205.04997	2.5
216.00604	1.8
217.01416	2.2
221.24380	1.1
227.03542	3.2
229.01477	1.8
231.04956	1.8
245.04356	1.5
245.08121	3.6
249.06126	31.9
250.06383	2.8
277.96881	1.3
287.05621	4.7
289.07144	18.7
290.07718	1.6
299.05707	2.2
321.03885	3.0
339.05075	12.4
353.08786	1.8
367.10297	40.6
368.10641	3.7
371.09784	100.0
372.10114	12.0
435.07333	5.5
449.08698	7.1
451.10233	3.7
459.07019	2.2
507.08575	1.2
569.11011	3.0
587.11835	10.7
599.61371	1.3
739.16644	9.7
740.16766	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	739.1666
Annotation	Kandelin A-1
Peak:m/z	Relative Intensity
57.03431	1.3
60.42928	0.8
67.01875	1.0
69.28921	5.8
69.29343	2.8
72.92828	0.7
81.03455	1.6
81.41982	0.8
83.01385	3.6
89.03957	3.5
93.03447	2.2
95.05033	1.8
97.02927	3.5
98.20636	1.8
109.02950	24.1
110.03262	1.5
117.03424	1.5
121.02976	3.1
123.04514	10.8
125.02438	13.8
132.02155	0.9
133.02946	10.6
135.04507	1.5
137.02440	18.4
139.04015	2.7
145.02989	0.9
146.03697	1.1
149.02435	4.4
150.03197	2.3
151.04013	10.1
159.04451	2.6
160.01695	0.9
161.02446	23.5
161.06082	4.4
162.03073	2.5
163.00375	1.1
163.03995	1.4
164.01147	2.2
165.01941	3.8
167.03423	1.0
175.03972	2.9
175.07516	1.2
176.01089	2.0
177.01917	100.0
178.02235	4.7
179.03519	4.0
179.93033	0.8
187.03975	4.0
188.04749	2.1
189.01878	9.1
191.05635	3.8
201.05507	1.7
202.06252	1.9
203.03409	4.0
203.07095	8.1
205.01399	1.9
205.05054	5.7
207.97563	1.0
209.15985	0.8
211.03957	1.2
215.03456	1.9
216.00574	3.5
217.01401	5.3
221.07939	1.7
227.03445	6.2
227.07129	1.8
229.01480	5.2
229.04880	1.0
231.02756	1.0
239.03410	1.3
245.04477	1.5
245.08124	12.6
247.05962	1.1
253.05077	1.2
257.04529	1.1
269.04431	1.9
280.03769	1.3
281.04510	1.7
283.05832	1.2
287.05588	8.3
289.07166	43.0
290.07474	4.0
295.06088	1.2
297.03940	1.0
299.05612	2.3
307.02530	1.9
321.04102	6.0
325.03366	3.2
337.07104	2.0
339.05032	27.7
340.05368	2.8
341.06659	1.1
399.05472	0.9
407.07480	1.4
415.08185	1.4
417.05890	5.0
433.09192	2.1
435.07162	10.3
436.07455	1.4
447.07593	1.0
449.08817	17.2
450.08914	2.9
451.10410	8.6
452.10614	1.2
459.07281	8.2
460.07635	1.4
477.08194	1.7
569.10712	7.3
570.10895	1.0
587.11902	20.8
588.12189	5.0
611.11444	1.0
629.13092	2.8
721.16205	1.8
739.16644	20.8
740.17303	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	738.3555
Annotation	Unknow
Peak:m/z	Relative Intensity
53.32281	0.1
58.50911	0.1
59.01368	0.7
60.01712	0.1
61.98826	100.0
62.98525	0.2
70.99033	0.2
71.01376	0.6
71.47986	0.1
72.01708	0.1
73.02957	0.1
85.02979	0.2
86.52555	0.1
87.00883	0.1
89.02447	0.4
90.02773	0.1
90.17240	0.1
96.80873	0.1
97.02965	0.1
101.02445	0.3
113.02440	0.3
119.03512	0.1
125.02467	0.3
128.34361	0.1
161.04614	0.1
163.11317	0.1
169.69301	0.1
191.05658	0.2
197.11780	0.1
207.10262	0.2
209.11867	0.3
211.13365	0.1
225.11319	0.2
226.11629	0.2
227.12917	0.3
235.08275	0.2
236.08553	0.1
253.09190	0.2
277.21680	0.7
278.22061	0.8
279.22485	0.4
293.21289	0.4
397.13589	0.5
398.13727	0.6
399.14017	1.2
400.14224	0.5
416.14948	0.2
417.15265	0.2
418.15201	0.1
738.98846	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	738.3557
Annotation	Unknow
Peak:m/z	Relative Intensity
55.10299	0.1
55.76654	0.1
57.03451	0.2
59.01377	1.2
61.98825	100.0
62.98531	0.2
69.59744	0.1
71.01378	1.7
73.02934	0.1
74.22628	0.1
80.02694	0.1
81.03432	0.1
83.01400	0.1
83.05011	0.6
85.02940	0.2
87.00888	0.3
89.02445	0.6
95.01378	0.1
95.05087	0.1
96.96013	0.2
97.02935	0.2
98.20676	0.2
101.02442	0.9
109.06602	0.3
111.08143	0.2
113.02451	0.5
114.72802	0.1
119.03513	0.2
123.12392	0.1
125.02455	0.3
125.09789	0.2
161.04596	0.2
163.11330	0.5
165.12854	0.4
171.10286	0.3
172.10635	0.1
181.12366	0.2
183.13963	0.2
191.05527	0.2
195.13902	0.6
207.10260	0.4
208.10561	0.2
209.11804	14.5
211.13365	0.3
223.13463	0.4
225.11368	0.5
226.11707	0.2
227.12932	1.6
235.08281	0.7
236.08667	0.2
237.15134	0.1
253.09253	1.9
261.00702	0.2
275.20169	1.0
277.02261	0.1
277.21710	0.7
278.22104	0.7
279.22769	0.4
280.23160	0.1
291.19586	0.2
293.21207	7.9
388.56268	0.1
397.13461	0.4
398.13828	0.8
399.14029	0.9
400.14337	0.5
415.14340	0.2
416.15244	0.2
417.15192	0.3
418.15335	0.2
445.20981	0.2
678.35626	0.2
738.40161	0.2
739.39984	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	737.4115
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	0.5
57.03449	0.9
58.00583	0.4
59.01084	0.5
59.01373	4.8
61.98825	1.4
67.01884	0.4
69.03457	4.3
69.40591	1.4
69.40991	0.8
71.01382	5.2
71.05023	1.4
73.02935	1.0
78.95934	0.3
83.01384	0.4
83.05023	0.8
85.02937	1.0
87.00880	0.9
89.02448	2.2
95.01411	0.8
97.02986	0.5
97.06618	0.8
99.00875	0.6
101.02438	3.9
106.06557	0.3
109.06624	0.3
111.04500	0.5
113.02420	1.5
115.03888	0.3
119.03513	0.3
123.08131	1.3
125.09718	2.2
128.30617	0.4
135.16666	0.3
143.03479	0.3
149.09787	0.4
151.11272	2.6
153.12830	1.4
161.04565	1.1
161.09715	4.2
169.12381	1.4
179.10762	7.7
180.11105	0.4
182.12936	0.4
197.11821	41.8
198.12184	2.2
207.10194	0.5
223.09743	1.2
224.10092	0.3
235.08229	0.7
241.10808	1.8
253.09261	2.5
255.23404	0.6
259.20557	0.3
277.21698	50.5
278.22037	5.5
279.23492	0.3
290.30823	0.3
293.21344	0.5
343.65436	0.3
385.42822	0.3
427.98434	0.4
459.18835	1.0
477.19690	1.2
496.96481	0.3
575.35602	0.4
719.39960	0.6
737.41095	100.0
738.41473	24.9
738.55212	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	737.4244
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	21.8
61.98822	44.0
64.98655	10.8
71.61672	25.8
83.29565	11.2
100.50002	14.5
114.01989	12.6
123.73385	13.0
157.65581	11.0
209.11891	59.7
223.30931	11.7
227.12697	15.3
235.08234	17.6
255.23195	100.0
279.23199	33.2
378.19174	12.6
575.01788	10.8
652.46484	12.6
737.42651	47.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	737.5179
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	13.6
60.05227	0.2
81.03448	5.4
83.05022	12.8
84.05340	0.5
93.03444	0.4
96.96001	0.8
107.06118	0.3
108.04534	0.4
123.04375	0.2
124.26139	0.2
125.02452	0.3
125.07180	0.9
143.08224	0.7
171.86470	0.2
172.13765	0.3
177.01888	0.5
191.05627	3.0
207.14978	1.3
224.17740	1.8
225.16063	12.1
226.16339	0.7
242.18666	0.6
250.15369	0.3
253.04913	0.4
297.03809	0.3
309.21753	0.6
333.22729	0.7
341.29080	0.3
351.24023	0.2
367.27057	1.4
397.71664	0.3
433.31616	1.0
447.06967	0.6
450.34573	1.1
451.32855	7.0
452.33188	0.9
536.88477	0.3
545.14349	0.7
550.43542	1.2
559.39349	0.4
593.43530	0.5
659.48328	1.6
660.48566	0.4
677.49615	100.0
678.49927	25.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	737.4111
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	0.4
55.70617	0.3
57.03448	0.7
59.01377	5.5
61.98835	1.0
67.01895	0.3
69.03450	3.1
70.09916	1.2
71.01381	5.0
71.05022	1.5
73.02954	0.9
77.41572	0.3
78.95911	0.4
81.03465	0.4
83.01375	0.4
83.05009	0.5
85.02933	1.1
87.00871	0.9
89.02433	2.8
95.01366	0.6
96.49793	0.3
97.02980	0.5
97.06591	0.5
101.02443	3.5
109.06570	0.3
113.02448	1.7
119.03493	0.4
123.08151	0.7
125.09711	1.6
137.09717	0.7
139.88466	0.3
149.09709	0.3
151.11269	2.2
151.21523	0.3
153.12878	1.7
161.04576	0.8
161.09718	3.0
169.12309	1.3
171.10239	0.5
179.10765	6.6
180.11047	0.3
197.11813	86.0
198.12148	5.8
205.08672	0.7
223.09793	1.8
225.11246	0.5
235.08095	0.5
241.10789	3.8
242.11183	0.4
253.09247	2.5
255.23289	0.3
277.21698	26.2
278.21979	2.3
280.80420	0.3
391.65762	0.3
459.18680	1.1
473.52521	0.3
477.19672	2.3
575.35455	0.6
590.77759	0.3
719.39716	0.6
737.41107	100.0
738.41431	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	737.3961
Annotation	Unknow
Peak:m/z	Relative Intensity
55.10483	0.3
57.03429	0.5
59.01377	3.8
61.98832	6.1
64.38463	0.3
69.03463	0.3
69.67335	0.3
70.26491	0.3
71.01391	3.1
71.05033	0.4
73.02955	0.7
75.15178	0.3
80.02671	1.1
81.03451	0.9
83.01412	0.4
83.05025	4.2
84.02163	0.7
85.02946	1.4
87.00900	1.0
89.02422	1.5
93.03447	0.7
95.05027	0.5
95.60133	0.3
96.95969	0.9
97.02956	0.6
97.06590	0.4
98.19809	0.4
99.00877	1.6
101.02439	2.6
109.02922	0.3
109.06589	0.7
113.02433	1.2
119.03473	0.6
125.02412	0.5
125.09720	0.9
127.11289	0.4
135.04530	0.4
135.08134	0.6
143.03477	0.4
147.11720	0.4
150.03174	0.4
161.02469	0.4
161.04567	1.1
163.11278	3.7
165.12846	1.9
169.12328	7.2
169.24176	0.3
170.12617	0.6
171.10255	5.0
179.03467	0.4
181.12312	2.8
183.64619	0.4
190.92661	0.3
191.05612	3.5
191.10799	0.8
192.06013	0.4
197.11906	0.6
199.13318	2.7
207.10229	4.3
208.10590	0.6
209.11821	100.0
210.12167	8.0
210.14188	0.5
215.45152	0.3
225.11295	7.9
226.11682	0.4
227.12880	14.4
228.13208	1.2
235.08209	2.2
237.07573	0.4
243.12376	2.3
247.13326	0.5
253.09277	5.4
328.76508	0.3
337.70880	0.3
405.21127	0.4
445.20840	3.4
448.07718	0.5
461.20248	1.0
463.21918	0.5
479.21457	0.9
486.81693	0.3
633.30627	2.1
637.32611	0.9
659.33032	0.6
677.35028	0.4
687.32336	3.2
688.32324	0.6
701.66638	0.3
705.33588	1.4
737.35931	1.8
738.34875	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	737.3958
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	1.1
57.03443	0.9
57.54235	0.6
58.00579	1.2
59.01377	32.6
61.98815	2.2
62.21075	0.5
64.81311	0.5
69.03436	1.7
70.65993	0.6
71.01376	29.9
72.99290	1.3
73.02951	3.6
75.00853	1.0
81.03436	1.7
83.01389	3.1
83.05003	0.7
85.02949	6.4
87.00873	5.8
89.02437	22.5
95.01382	1.7
96.95992	1.2
97.02938	4.6
99.00870	1.8
101.01770	1.4
101.02436	20.8
104.59094	0.7
109.06599	1.4
111.00883	0.6
111.04508	0.8
113.02444	9.4
115.03967	0.7
119.03487	5.7
125.02439	9.8
125.09699	0.7
130.13185	0.6
131.03519	1.0
137.02394	0.9
141.01721	2.9
143.03506	3.1
149.04468	0.9
161.04510	4.5
162.84097	0.6
163.11310	1.1
165.06654	0.6
171.10196	2.0
179.05603	5.0
191.05487	1.0
207.10249	2.8
209.11813	3.4
221.06644	1.3
225.11285	6.6
227.12946	0.8
235.08208	9.6
253.09219	3.0
263.07510	1.1
277.09280	1.0
279.23260	78.8
280.23596	7.5
287.07700	2.6
291.19568	2.3
293.21005	3.5
305.08807	4.1
379.12256	1.1
397.13452	100.0
398.13757	8.7
415.14545	30.2
416.14877	2.2
461.19922	1.0
677.37738	2.6
737.40820	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	737.3943
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	1.0
57.03432	1.0
58.00588	1.4
59.01377	30.1
60.01701	0.6
61.98830	2.5
69.03439	2.0
69.57782	3.0
71.01377	32.3
72.01695	0.8
72.99292	2.5
73.02945	4.5
75.00876	0.5
81.03445	1.5
83.01370	2.2
85.02944	6.6
85.69340	0.5
87.00878	6.9
89.02438	23.2
89.02995	1.2
91.03983	0.8
95.01370	2.4
96.96017	0.7
97.02950	5.2
97.06523	0.6
99.00854	1.9
99.04531	0.5
101.02440	21.3
103.00351	0.8
109.02907	0.7
109.06583	3.0
111.00880	0.6
111.04517	1.0
113.01717	0.7
113.02454	10.3
119.03486	5.8
123.04537	0.7
125.02437	9.3
125.09698	0.8
127.14870	0.7
131.03484	1.0
133.05029	1.2
139.03993	0.8
141.01935	0.9
143.03516	3.3
149.04567	1.1
161.04556	6.2
163.11270	2.1
171.10216	2.3
179.05603	5.6
181.12354	0.9
195.13864	0.7
199.13261	0.5
201.11348	0.6
207.10236	9.2
208.10515	0.7
209.11740	7.2
211.13403	0.8
221.06598	1.9
223.09607	0.6
223.13165	0.6
225.11244	6.5
227.12871	1.3
235.08199	11.8
236.08604	0.7
243.12289	0.6
253.09233	4.7
263.07687	1.0
279.23257	83.9
280.23587	8.7
287.07678	3.0
291.19614	4.3
293.21191	7.7
305.08786	3.9
323.09848	1.4
397.13452	100.0
398.13797	8.6
415.14520	32.0
416.14639	3.1
461.20624	1.4
677.38019	2.9
737.41156	2.8
738.41638	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	737.36
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	2.1
59.01371	14.2
61.98820	6.2
68.99842	1.1
69.03460	1.2
71.01377	72.7
71.05036	1.2
71.62634	1.6
72.99306	1.5
73.02951	2.1
78.95883	1.2
80.02666	2.9
81.03444	4.1
83.01393	1.7
83.05013	8.4
84.02156	1.3
85.02939	3.3
85.90363	0.9
87.00884	4.7
89.02439	5.9
89.51318	0.9
93.03457	1.8
95.05035	2.5
96.96021	2.9
97.02938	6.6
97.06584	2.3
99.00900	5.0
101.02422	7.5
102.69815	1.0
109.06581	25.6
110.03722	1.3
111.00830	1.2
111.04490	1.2
111.08137	4.9
113.02450	5.4
119.03458	1.4
121.06601	1.3
123.04514	2.5
123.08082	1.0
125.02386	1.1
125.06053	1.6
125.09715	4.4
127.11313	1.5
135.08144	4.4
137.86052	0.9
142.02675	1.3
145.05002	1.1
151.11255	1.9
161.02434	1.0
161.04510	2.2
161.09689	4.2
163.11290	19.4
165.12814	3.2
167.66989	1.1
171.10255	17.0
178.75195	1.0
179.10767	3.0
181.12305	7.3
185.11749	2.8
187.09679	2.6
191.05562	1.6
195.13850	4.3
197.11749	2.8
199.13246	2.5
201.09512	1.0
201.11285	4.6
205.08670	4.0
207.10242	64.0
208.10608	4.3
209.11806	100.0
210.12106	6.1
211.13425	1.2
213.11311	1.5
223.09770	7.5
223.13330	3.2
225.11298	45.2
225.13535	2.2
226.11461	2.4
227.12845	11.4
235.08185	5.2
241.10889	1.3
243.12299	2.9
247.20544	1.2
253.09241	21.6
275.20142	3.9
291.19641	49.1
292.19968	5.4
293.21210	37.7
294.21503	2.3
309.20822	1.3
443.19397	2.9
445.20334	2.2
460.57834	1.2
461.20093	9.8
462.20676	1.5
479.20737	1.4
509.27954	1.3
527.28442	2.2
633.31073	1.7
669.31409	1.4
687.32324	2.7
737.41107	20.6
738.41736	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	737.3603
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00294	1.1
55.01865	1.8
57.03434	2.2
58.00586	0.7
59.01376	24.5
61.98823	30.1
68.99812	1.4
69.03460	1.3
69.26192	4.8
69.26622	2.3
71.01376	100.0
71.05003	0.8
72.01709	1.5
72.99293	2.0
73.02946	5.6
75.00804	0.7
78.69898	0.7
78.95872	0.9
79.95739	1.0
80.02663	1.6
80.96505	1.0
81.03460	2.9
83.01376	2.8
83.05024	5.2
83.83471	0.6
84.02200	0.9
85.02947	9.7
87.00893	4.4
88.98804	1.4
89.02446	7.1
93.03453	1.3
95.01387	2.5
95.05022	1.5
96.95989	4.3
97.02945	5.4
97.06618	1.3
99.00873	7.1
101.02428	12.8
106.04230	0.7
107.04996	1.1
109.02910	1.2
109.06583	16.4
110.03770	1.7
110.07011	0.7
111.00896	1.0
111.04515	3.3
113.02440	9.5
119.03519	1.7
121.02968	0.8
121.06604	2.1
123.04508	1.9
123.08128	1.7
125.02427	3.7
125.09708	6.1
127.11364	1.0
129.01857	0.9
131.87561	0.7
133.02968	0.9
135.04509	0.8
135.08177	2.7
136.05283	1.3
137.02426	1.0
137.88023	0.7
141.01906	0.7
142.02705	1.7
143.03520	1.7
145.05055	0.9
149.09705	0.8
151.03966	1.0
151.11186	1.4
155.10782	1.1
159.02927	0.9
160.87575	0.9
161.02460	2.1
161.04538	4.0
161.05769	0.9
161.09689	3.4
163.11276	13.7
165.01932	0.8
169.12317	0.9
171.10260	22.9
172.10559	1.3
173.04535	2.1
177.09230	1.0
177.25133	0.9
179.05627	1.1
179.10757	2.5
181.12335	8.3
185.11848	2.8
186.21692	0.7
187.09703	1.8
189.09177	1.0
191.05608	9.7
197.11778	4.5
198.12143	0.9
199.09767	1.9
199.13332	5.9
200.13568	0.7
201.11272	7.5
205.08691	4.9
207.10239	42.7
208.10629	3.2
209.11797	30.0
210.12239	1.7
213.11250	0.9
215.12892	1.4
221.11824	1.1
223.09731	10.3
223.13303	1.3
225.11293	37.7
226.11658	2.8
227.12816	1.9
235.08263	2.1
237.11304	0.7
243.12341	4.9
253.09329	7.6
275.17664	0.9
353.21100	1.0
395.18781	0.8
443.19437	1.0
459.18771	1.4
461.20303	7.2
462.77612	0.7
471.33301	1.0
479.21533	3.1
489.34464	1.2
631.55353	0.9
633.30688	1.9
633.38989	14.9
634.39099	2.6
651.29578	0.9
651.39496	11.2
652.39838	1.7
653.32367	0.9
669.31378	2.4
670.32788	1.0
687.32111	7.0
688.33142	1.4
693.40625	6.1
694.41095	0.9
719.34399	1.5
737.34705	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	737.3606
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00312	0.9
56.09262	0.8
57.03448	2.0
58.00607	1.2
59.01375	21.4
61.98521	1.5
61.98828	28.2
68.99793	2.3
69.03442	1.9
69.37775	0.9
69.97752	4.4
71.01379	100.0
71.04996	1.1
72.01694	1.8
72.99309	2.5
73.02945	5.8
80.02693	1.5
80.96513	1.7
81.03443	3.2
83.01385	2.4
83.05025	4.8
85.02950	8.0
87.00886	5.8
89.02444	6.2
93.03462	3.6
93.99979	0.9
95.01368	1.5
95.05016	2.7
96.96004	4.5
97.02950	5.4
97.06576	1.7
99.00328	0.8
99.00873	5.5
101.02435	9.4
107.05054	1.1
109.02938	2.3
109.06579	22.0
110.03671	1.8
111.04510	2.8
113.02458	6.9
119.03516	2.5
121.06634	2.0
123.04484	1.7
123.08154	1.2
125.02450	2.3
125.09708	7.1
127.11303	1.1
127.26656	0.9
131.04643	1.4
135.04457	2.8
135.08177	3.3
136.05292	1.9
137.09727	1.4
142.02698	2.5
143.03464	1.1
145.10275	0.9
145.76318	0.8
149.09607	1.4
151.11224	0.9
153.09180	1.6
155.10721	1.4
161.02455	1.4
161.04546	3.3
161.09695	3.4
163.11285	11.8
165.12865	1.0
169.12323	2.6
171.10268	22.5
173.04576	1.4
176.93468	0.8
179.10800	3.0
181.12300	10.9
185.11797	3.9
187.09766	2.7
191.05597	9.8
197.11806	4.9
199.09753	2.3
199.13426	6.3
200.51147	0.9
201.11293	8.7
205.08678	6.3
205.12321	1.1
207.10245	47.4
208.10580	3.2
209.11809	34.2
210.12128	2.6
213.09097	0.8
213.11148	2.3
215.12860	2.0
223.09720	10.0
223.13307	1.5
225.11298	41.6
226.11649	2.5
227.12897	4.3
235.08237	2.8
241.10765	1.2
243.12289	6.8
253.09311	6.4
282.47861	1.0
295.12860	1.2
317.65259	1.1
383.19119	0.9
397.20483	2.6
443.18839	1.1
461.20239	6.4
479.21112	2.2
558.26239	0.9
633.29987	1.8
633.39056	3.9
651.39838	3.6
669.31238	3.3
670.32074	1.1
687.32269	6.6
693.40216	1.2
698.25574	1.0
705.34210	1.3
719.34753	1.4
737.37329	4.6
738.37775	1.0
739.55255	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	737.3595
Annotation	Unknow
Peak:m/z	Relative Intensity
52.37196	0.4
57.03447	0.4
58.58255	0.3
59.01376	4.9
59.61956	0.3
61.98827	7.7
71.01381	3.6
71.67048	0.3
73.02938	0.8
80.02694	0.5
81.03454	1.1
83.01381	0.5
83.05017	3.8
84.02099	0.5
85.02945	1.6
87.00861	1.4
89.02441	1.4
93.03448	0.7
95.05080	0.4
96.96014	1.2
97.02932	0.5
99.00874	1.3
101.02438	2.5
109.06558	0.9
113.02436	2.0
115.54320	0.3
119.03508	0.6
125.02460	0.8
125.09711	1.2
125.91682	0.3
126.18382	0.3
133.05103	0.4
135.04549	1.0
135.08199	0.4
137.02403	0.5
143.03452	0.7
145.05090	0.4
151.11247	0.4
161.02460	0.5
161.04504	0.9
163.11281	4.9
165.12863	1.8
169.12331	25.2
170.12663	1.2
171.10252	7.8
173.04512	0.8
179.05540	0.5
181.12350	1.9
191.05635	4.7
191.10767	0.6
197.11850	0.5
199.13370	2.2
207.10262	4.3
208.10513	0.4
209.11818	100.0
210.12135	6.3
211.07399	0.4
223.06038	0.6
225.11295	5.1
226.11662	0.4
227.12869	14.0
228.13210	1.2
235.08199	3.6
243.12317	1.6
253.09256	5.7
255.02979	0.5
296.03268	0.5
337.14490	0.3
344.48264	0.4
351.21957	0.5
354.30569	0.3
405.21417	3.0
407.07684	0.8
407.19055	0.4
427.19504	0.8
445.20767	4.8
461.20071	1.1
463.21671	0.8
479.21295	1.1
479.47195	0.4
597.32715	1.2
615.33490	0.7
633.30823	1.8
637.32062	0.6
640.14337	0.4
659.33185	2.1
660.32794	0.5
677.33142	1.7
687.32269	3.1
688.32776	0.7
705.33594	2.7
737.35760	3.2
738.36749	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	736.3398
Annotation	Unknow
Peak:m/z	Relative Intensity
54.14352	0.2
59.01375	1.5
61.98827	100.0
68.99826	0.2
71.01380	2.1
71.91781	0.2
73.02978	0.2
76.52137	0.2
78.95889	0.4
85.02945	0.5
87.00883	0.4
89.02444	0.6
96.52115	0.2
96.96020	0.4
101.02461	0.7
109.06602	0.4
113.02441	0.4
119.49132	0.2
141.89499	0.2
163.11305	0.4
171.10359	0.3
191.05605	0.4
207.10289	0.9
209.11916	1.2
211.13515	0.5
223.13399	0.2
225.11336	2.9
235.08315	0.5
253.09251	0.6
277.21713	0.6
278.22168	0.7
291.19705	0.5
293.21265	1.8
309.20563	0.3
335.53015	0.2
397.13245	1.2
398.13962	0.9
409.58322	0.2
415.14676	0.6
416.14584	0.2
433.40894	0.3
461.20178	0.4
674.85504	0.3
737.40106	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	737.2503
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	0.7
60.99303	0.1
67.01891	0.4
69.03473	0.3
71.01378	0.5
71.60969	0.2
73.02932	0.3
73.06184	0.1
83.01396	0.2
85.02944	5.4
87.00863	1.2
93.03454	2.9
96.96035	0.3
109.02935	0.5
111.04498	1.0
125.02445	0.2
127.03993	1.3
127.05399	0.1
133.02937	1.1
135.04530	2.4
136.04805	0.2
137.02437	0.3
155.03453	0.2
161.02426	1.6
171.02963	0.3
173.04526	3.2
177.01985	0.2
179.03459	2.3
180.03787	0.2
191.05594	100.0
192.05931	4.6
351.07300	0.2
352.07526	0.2
353.08728	18.0
354.09039	1.9
375.06812	0.3
408.20328	0.2
621.54688	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	737.3512
Annotation	Unknow
Peak:m/z	Relative Intensity
51.95829	3.3
58.67797	3.5
59.01375	28.3
61.98529	4.2
61.98827	69.2
69.73715	5.9
69.74133	15.5
71.01386	27.8
73.02951	3.7
77.08563	3.2
79.95721	4.6
83.04987	3.8
85.02954	9.6
87.00858	6.8
89.02454	4.7
93.03435	12.5
95.63007	3.5
96.96020	8.1
98.20542	4.3
101.02430	7.3
109.02937	3.9
110.99921	3.3
113.02414	6.5
125.02444	7.0
135.04530	7.6
161.02460	4.9
169.12299	8.6
171.10225	5.7
173.04565	6.8
191.05598	33.2
195.13786	4.0
197.11810	100.0
198.12230	6.4
207.10143	6.7
209.07739	3.7
209.11819	48.4
210.12134	6.3
211.13408	5.5
223.13382	35.4
225.11279	5.0
227.12808	11.3
235.08250	5.1
253.09238	11.5
287.29858	3.6
309.20612	5.2
433.20529	13.2
459.22290	7.8
528.54413	4.1
613.32086	8.2
651.33667	7.0
669.34619	6.4
737.35284	37.3
738.36090	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	735.5925
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	0.8
61.98814	0.5
65.89656	0.2
70.11033	0.9
71.01378	1.8
74.62339	0.2
84.30330	0.2
97.06599	0.2
101.02414	0.2
115.85832	0.2
116.92855	0.3
146.40747	0.2
171.10223	0.9
177.12830	0.2
195.13876	1.4
209.11894	0.2
230.56906	0.2
233.22632	0.3
235.08167	0.3
255.23297	2.9
256.23560	0.5
259.20529	0.4
275.20026	0.3
277.21686	100.0
278.22055	9.6
348.07590	0.2
455.35434	0.9
456.35727	2.7
457.35983	2.5
577.66821	0.2
648.25262	0.2
735.43176	1.5
736.44232	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	735.4087
Annotation	Myxochromide S2
Peak:m/z	Relative Intensity
53.47884	12.8
57.10625	11.5
61.98838	12.6
71.61800	10.5
95.06664	10.3
104.28857	9.4
105.22261	12.8
113.48029	11.7
116.41895	11.9
225.11285	23.5
237.15143	11.1
255.23254	93.5
256.23581	31.6
302.84171	12.0
699.43219	20.8
735.40808	100.0
736.40997	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	735.4536
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	5.4
61.98823	7.0
63.17002	0.7
66.88149	1.0
70.54957	0.8
71.01378	60.6
73.02950	1.1
79.72183	0.7
83.01385	1.0
84.03237	0.7
85.02966	1.4
87.00880	1.5
89.02415	2.4
97.02964	1.0
99.00868	0.9
100.87307	0.8
101.02413	2.6
109.06606	1.8
113.02470	1.4
114.02014	1.1
125.09705	0.8
127.11253	1.4
155.10803	0.8
161.04445	1.3
163.11191	1.9
171.10265	38.3
172.10587	2.3
177.68915	0.8
181.08640	1.0
195.04726	0.8
199.09734	7.0
201.11272	5.1
207.10263	8.1
221.11716	1.0
221.29950	0.7
225.11371	5.5
235.08171	5.6
253.09280	7.4
255.23270	100.0
256.23642	8.9
277.21652	2.9
326.08325	0.8
491.32587	1.1
699.43286	3.2
717.43933	0.9
735.45544	7.1
736.44800	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	735.3721
Annotation	Unknow
Peak:m/z	Relative Intensity
51.96759	1.7
53.18761	1.5
54.11747	1.5
58.08655	1.8
59.01368	5.3
61.98831	100.0
71.01376	4.5
78.95896	3.4
79.04173	1.6
83.05042	2.1
94.10093	1.7
96.95976	2.3
101.02469	2.8
113.02499	2.2
113.29913	1.8
130.16040	1.9
145.79541	1.9
171.10237	11.4
185.11830	2.3
191.05519	2.9
207.10330	2.6
209.11826	39.3
210.12128	3.7
211.13309	4.2
225.11221	3.4
253.09241	6.0
289.18079	10.4
291.19659	3.3
295.22723	2.2
307.19052	5.7
309.20648	5.4
321.01224	1.8
359.56601	1.9
717.38916	2.6
735.39917	11.8
736.39905	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	735.3722
Annotation	Unknow
Peak:m/z	Relative Intensity
55.39149	2.4
56.91511	2.7
59.01377	9.2
61.98827	100.0
71.01388	5.3
83.09647	2.9
91.17095	2.3
92.92191	2.8
96.96029	13.0
98.19831	3.8
101.02454	5.0
109.06592	5.0
112.45366	3.0
113.02472	2.8
171.10274	14.5
183.29504	2.4
191.05602	3.2
197.11844	6.1
207.10266	8.2
209.11795	8.4
211.13272	5.0
253.09233	5.6
255.88481	2.6
291.19580	3.8
307.19473	2.5
309.20718	9.5
382.12689	2.7
473.95581	2.7
735.37878	12.9
736.38995	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	735.3952
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	25.4
61.98828	38.4
70.64527	0.7
71.01377	13.1
71.61935	1.3
73.02944	13.6
78.95881	1.0
83.01385	4.0
85.02959	2.0
89.02418	1.2
96.95998	2.2
98.17544	0.8
98.20553	0.8
101.02446	12.5
109.89282	0.7
113.02455	2.6
121.02930	0.9
125.02418	1.5
131.03481	1.2
131.27405	0.9
135.04459	0.9
143.03473	0.9
154.02344	0.8
161.04510	1.3
171.10263	1.0
191.05577	3.2
201.11290	0.9
203.05579	3.0
209.11787	1.7
218.88846	0.9
249.54839	0.8
268.58478	0.8
487.34253	100.0
488.34579	21.4
501.35840	10.1
502.36234	2.9
529.35107	6.8
530.35657	1.6
571.35773	1.1
610.29883	0.9
735.38892	0.9
736.40344	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	735.3446
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	1.5
59.01374	12.4
61.98826	55.2
62.03421	0.7
65.03944	0.9
69.03454	7.8
70.81332	1.2
70.81640	1.0
71.01380	11.8
71.05013	2.9
73.02949	2.5
76.92913	0.9
80.02633	1.1
81.03458	1.6
83.01392	1.7
83.05022	2.3
84.95113	1.5
85.02930	3.8
87.00855	2.0
89.02435	4.8
93.03436	0.8
96.95998	3.7
97.02973	3.6
97.06576	2.1
99.00841	3.8
101.02438	7.5
109.02986	1.1
109.06580	11.0
110.03745	1.0
113.02445	3.1
115.03954	0.7
116.92908	0.9
118.02405	0.7
119.03488	1.0
121.06541	0.8
123.08140	2.9
125.02415	0.8
125.09693	4.6
135.04527	1.2
135.08188	1.5
142.02673	0.8
151.11285	3.8
153.12823	2.3
161.02464	0.9
161.04581	2.0
161.09706	6.8
163.11282	5.7
164.76506	0.8
171.10255	39.4
172.10597	2.0
173.04492	0.9
176.32120	0.9
178.65256	0.7
179.10765	15.3
180.11078	1.2
181.12285	6.4
185.11845	2.2
191.02077	0.7
191.05606	3.6
197.11809	100.0
198.12268	4.8
199.13362	3.9
207.10262	21.6
208.10583	1.6
209.11830	8.2
211.13394	1.3
213.11362	1.2
216.00601	0.8
223.09758	2.7
225.11275	18.8
226.11699	1.8
227.12872	6.0
235.08179	2.4
241.10783	8.8
242.11176	0.9
243.12340	4.6
253.09259	7.3
273.17007	1.1
346.70074	0.7
405.22604	1.0
421.47015	0.8
445.21146	0.8
459.18625	3.0
461.20074	3.8
462.20456	0.8
475.30774	1.2
477.19629	10.8
478.20251	1.9
479.21179	4.3
487.34418	1.5
523.25714	0.9
614.79999	0.9
631.29517	19.4
632.29327	3.6
641.31714	3.2
659.32672	4.0
660.33545	0.9
667.29834	1.5
668.29950	1.0
685.30688	57.2
686.31073	14.0
703.31488	11.8
704.32153	2.8
717.33600	2.3
735.34406	14.4
736.34802	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	735.3443
Annotation	Unknow
Peak:m/z	Relative Intensity
54.59781	0.9
55.01861	1.1
57.03449	1.8
59.01379	10.9
61.98827	38.1
67.09126	0.8
69.03442	5.5
70.52171	3.1
71.01377	12.9
71.05020	2.4
72.99306	2.0
73.02937	2.5
81.03455	2.6
83.01394	1.9
83.05022	2.8
85.02957	4.9
87.00856	3.1
88.98776	1.0
89.02448	4.6
93.03434	2.6
95.04979	1.0
96.68385	0.9
96.95973	4.8
97.02959	4.7
97.06595	1.8
98.20448	1.0
99.00894	4.1
101.02448	7.4
107.05054	1.1
109.02940	1.2
109.06580	11.3
113.02435	4.7
119.03452	1.5
123.04517	1.0
123.08148	2.3
125.02431	1.5
125.09711	5.9
126.21396	1.0
127.11208	1.0
133.02846	0.9
135.04521	1.7
135.08170	1.3
137.02457	1.4
149.09731	1.1
151.03996	0.9
151.11272	3.9
153.12886	2.1
160.58788	0.8
161.02434	1.5
161.04549	2.6
161.09734	7.9
162.10097	1.1
163.11301	7.9
169.12256	0.9
171.10262	39.6
172.10658	1.1
173.04594	1.4
179.03496	1.3
179.10762	15.1
180.11162	1.1
181.12315	6.7
182.12628	0.9
185.11780	2.8
191.05579	6.7
197.11815	100.0
198.12183	7.2
199.13336	4.3
207.10236	26.6
208.10512	2.2
209.11807	8.1
210.12225	2.1
211.13309	1.2
213.11276	1.4
223.09773	1.8
225.09180	1.7
225.11307	23.6
226.11736	1.4
227.12834	5.7
235.08345	2.0
241.10794	10.2
243.12370	4.3
253.09328	7.6
289.07132	0.9
299.05539	2.1
301.03366	1.2
433.21161	1.2
459.18607	2.6
461.19952	5.2
477.19748	12.0
478.19891	1.8
479.20892	2.3
523.25745	1.2
541.26514	1.2
623.30878	1.2
631.29590	15.5
632.29645	3.2
641.31354	2.5
659.31726	1.9
667.29938	3.2
685.30695	66.9
686.31110	14.8
703.31824	8.9
704.32098	1.2
719.81262	0.9
735.34619	12.3
736.34198	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	733.5772
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	0.5
61.34455	0.3
61.98817	0.5
72.70346	0.3
87.00845	0.9
139.85107	0.3
168.74092	0.3
171.10239	1.0
197.11792	0.7
209.11809	0.3
215.13086	0.3
253.09213	0.4
255.23257	3.3
256.23694	0.6
277.21725	4.1
278.21985	0.4
282.25244	0.3
383.04208	0.3
407.32880	0.6
455.35260	100.0
456.35623	16.8
636.25598	0.4
715.43018	0.4
733.44537	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	735.344
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	0.9
57.03441	2.3
59.01372	15.4
61.98828	71.6
69.03450	4.8
71.01376	13.6
71.05016	2.0
72.99335	1.1
73.02941	3.3
75.00864	1.1
79.95740	1.0
80.96513	2.8
81.03436	1.9
82.95424	1.0
83.01409	1.2
83.05054	1.9
84.95103	1.8
85.02952	4.6
87.00858	3.5
88.98782	1.3
89.02442	4.1
93.03452	1.6
95.05064	1.5
96.96036	7.4
97.02942	3.4
97.06552	1.9
99.00884	4.6
99.04537	1.0
101.02436	7.5
109.06578	12.8
113.02435	4.0
116.92877	2.4
121.06589	1.3
123.08202	2.2
125.02430	1.3
125.09726	6.2
127.11270	1.1
135.04530	2.3
135.08110	1.5
137.02455	2.1
151.11293	3.0
153.12828	2.0
161.02451	1.8
161.04544	1.7
161.09705	7.5
161.57774	1.1
163.04030	1.3
163.11301	7.3
171.10265	43.4
172.10597	2.6
173.04520	1.1
179.10750	15.4
180.11160	1.1
181.12335	6.8
185.11786	2.3
191.05576	8.6
197.11816	100.0
198.12199	5.7
199.13382	6.2
207.10246	26.9
208.10602	3.1
209.11806	11.6
210.12178	2.6
223.09715	1.9
225.11305	22.7
226.11691	1.7
227.12878	6.3
229.14345	1.3
235.08231	2.0
237.11320	1.0
241.10818	9.2
243.12282	5.5
253.09242	7.3
273.16946	1.3
351.21967	1.6
422.41669	1.0
459.18481	3.1
461.20337	4.1
477.19659	9.7
479.21317	2.3
487.34409	2.3
631.29700	21.5
632.29944	4.0
641.31036	1.5
659.33093	3.0
667.29578	2.5
685.30713	59.4
686.30945	15.2
703.31744	9.6
704.32245	1.9
717.33295	3.4
735.34784	15.6
736.35046	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	733.3663
Annotation	Unknow
Peak:m/z	Relative Intensity
53.98779	1.3
55.01875	3.8
55.36641	1.4
57.03439	5.0
58.00586	2.0
59.01376	87.4
61.98827	84.1
69.03434	1.9
71.01382	61.0
71.61994	2.0
72.99280	4.0
73.02936	10.9
75.00851	2.0
79.95758	2.5
80.96407	1.6
82.95391	1.7
83.01390	9.1
83.04984	1.7
85.02947	29.7
87.00874	6.6
87.04514	2.1
89.02440	28.6
91.84171	1.5
93.03436	2.4
95.01367	7.1
96.96004	22.7
97.02939	2.8
98.95578	1.5
99.00878	5.8
101.02444	36.7
109.02911	1.5
111.00887	2.5
113.02443	30.6
119.03461	8.5
121.02988	1.6
124.01627	3.0
125.02411	5.9
128.03529	2.1
129.01978	1.6
133.02962	2.4
134.03687	1.9
135.04518	5.0
137.02477	2.6
143.03506	3.0
151.04050	2.7
158.13788	1.5
159.03014	2.8
161.02483	3.0
161.04550	8.0
163.11305	2.4
171.10245	4.9
173.04562	2.6
179.03499	2.1
179.05548	2.9
191.04048	2.7
191.05594	13.6
192.05920	1.7
197.11819	3.2
203.71832	1.7
209.11833	20.2
211.13330	3.7
227.12886	7.1
272.03033	1.8
301.03500	3.5
302.03900	2.2
325.20370	1.8
467.29807	7.9
485.31104	7.8
629.35352	100.0
630.35834	21.3
647.36469	66.6
647.45245	1.2
648.36914	14.5
689.37573	25.1
690.37726	6.6
733.36951	3.3
734.38452	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	733.357
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01359	42.5
60.07305	17.0
61.98818	92.0
66.95239	21.2
71.01364	54.7
71.61990	25.6
78.95877	24.7
92.98486	17.9
96.72378	19.7
96.95996	70.0
119.05006	65.7
129.40997	20.4
138.38710	18.8
140.00586	23.1
163.03998	97.6
171.10255	83.8
178.93799	21.0
207.10229	32.0
209.11876	46.5
211.13446	38.3
263.30298	20.3
267.63516	23.1
289.18054	32.7
307.19217	41.3
695.34070	25.3
697.35504	25.8
733.36053	100.0
734.36444	24.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	733.3645
Annotation	Unknow
Peak:m/z	Relative Intensity
51.24711	1.3
51.69755	1.3
59.01377	24.8
61.98835	7.4
64.39743	1.3
71.01377	53.1
73.02963	2.1
78.95906	1.5
83.05013	2.7
85.00271	1.3
85.02927	2.1
87.00871	2.2
89.02436	3.5
95.45902	1.2
96.95985	3.4
97.02950	4.6
97.06573	1.7
99.00864	3.2
99.71105	1.5
101.02417	5.7
109.06577	10.3
110.03709	1.4
113.02457	3.5
119.05021	8.8
120.05435	1.5
131.04504	1.4
135.08136	1.6
161.04504	2.4
163.04031	11.9
163.11256	8.2
171.10220	6.5
181.12402	3.0
183.13918	7.7
185.11766	2.4
193.12239	2.1
199.13365	5.2
201.11288	3.7
207.10240	28.2
208.10533	2.1
209.11806	19.9
211.13368	100.0
212.13725	6.7
225.11290	19.4
227.12854	16.6
229.07826	1.8
233.15434	1.6
235.08212	4.5
253.09169	9.6
293.21152	1.8
294.21280	1.9
339.10858	1.5
373.23657	2.4
383.22321	2.1
391.24792	2.7
401.23358	8.6
419.24490	3.3
443.18643	1.8
447.22510	2.1
461.20013	3.0
463.21426	2.2
487.33789	2.6
514.78473	1.4
569.34833	1.9
583.43683	1.7
619.31067	2.0
637.32361	6.9
655.33118	10.0
656.33124	3.4
673.35089	2.3
695.34308	5.2
733.39471	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	730.4014
Annotation	Unknow
Peak:m/z	Relative Intensity
54.27938	0.2
59.01378	0.2
61.98825	100.0
70.81503	0.2
71.01399	0.3
80.96520	0.3
98.20648	0.5
131.56551	0.2
132.62686	0.2
154.16011	0.2
171.10252	0.5
172.10585	0.2
209.11867	0.6
253.21693	1.2
255.23303	0.4
256.15283	0.2
277.21808	0.2
278.22079	0.3
713.41840	0.3
731.40283	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	733.2554
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	1.4
67.30776	0.3
71.90337	0.3
72.08989	0.3
75.36000	0.3
75.37609	0.3
83.05014	0.4
85.02948	5.9
87.00885	1.1
93.03455	3.2
96.96004	1.1
98.20736	0.8
104.88403	0.3
105.03476	0.6
108.56155	0.3
109.02959	0.9
111.04498	1.1
115.02571	0.3
127.03989	1.4
133.02971	3.1
134.03299	1.0
135.04524	1.4
137.02406	0.4
153.02080	0.3
156.31476	0.3
160.93213	0.4
161.02437	1.9
171.02985	0.4
173.04552	2.4
177.01945	1.0
179.03517	0.8
191.05592	100.0
192.05911	4.6
215.05640	0.5
216.06126	0.5
229.84962	0.5
297.42188	0.3
301.03577	0.8
311.38297	0.4
337.09329	0.4
351.07166	1.4
352.07565	1.3
353.08707	19.0
354.09171	2.1
361.31436	0.3
421.07718	0.5
534.25244	0.4
721.38605	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	733.2704
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	0.7
60.99281	0.1
67.01875	0.3
71.01392	0.5
71.61645	0.2
72.99293	0.2
73.02946	0.1
73.37854	0.1
81.03442	0.2
83.05016	0.2
85.02950	5.4
87.00873	1.1
93.03455	2.3
96.96011	0.2
99.04512	0.2
108.02194	0.3
109.02953	0.4
111.04517	0.9
127.04007	1.3
133.02959	0.6
135.04532	0.8
136.04974	0.1
137.02458	0.2
138.61601	0.1
139.96083	0.1
142.66232	0.1
161.02446	1.6
171.02942	0.4
173.04539	1.4
179.03477	0.9
187.80463	0.2
191.05600	100.0
192.05939	4.2
261.08762	0.3
270.62033	0.1
299.07611	0.4
301.37024	0.1
320.21085	0.1
335.18692	0.6
349.03720	0.2
353.08749	18.9
354.09097	1.9
431.46448	0.1
433.19095	0.3
441.77066	0.1
500.04553	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	730.2919
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	3.0
60.99308	1.1
61.98825	35.7
64.75804	0.7
67.01917	0.7
69.81944	3.9
71.01373	4.8
73.02966	1.7
74.58897	0.6
74.99076	0.6
76.13730	0.7
79.95735	0.7
83.01396	1.1
85.02959	2.3
87.00897	1.1
88.98814	3.7
89.02454	2.1
89.03976	1.4
93.03463	2.8
95.01378	1.0
96.96004	3.5
98.20657	0.8
99.00925	1.3
101.02422	4.2
106.04276	0.8
107.05031	2.6
109.02965	1.7
113.02442	1.8
117.03442	6.1
121.02869	0.7
123.00901	0.8
123.04543	1.2
125.02446	1.9
129.66628	0.7
132.02171	2.8
132.29015	0.7
133.02953	15.2
134.03732	74.6
135.04526	100.0
136.04851	5.5
137.02400	1.2
138.94131	0.6
149.02406	1.3
149.06047	5.7
151.04001	1.1
153.01927	3.3
154.02318	1.1
160.01631	7.3
161.02432	50.9
161.04576	1.3
162.02740	2.6
164.04869	1.1
167.03568	3.4
169.24031	0.8
173.04579	1.2
175.04001	8.2
176.04436	1.0
179.03481	65.7
180.03899	2.2
189.05618	0.9
191.05603	6.1
193.05034	65.8
194.05405	6.8
223.06140	0.8
311.07761	1.6
323.69424	0.7
336.45398	0.6
389.16037	0.8
501.23514	2.6
640.26727	2.6
667.29657	99.5
668.29944	20.7
693.27667	6.2
694.27710	9.3
695.29071	23.1
731.27118	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	730.4015
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01360	0.2
61.98824	100.0
62.98526	0.2
70.51141	0.3
70.51543	0.3
75.00883	0.1
85.02901	0.2
98.20594	0.2
99.00964	0.1
99.66096	0.2
128.11562	0.1
130.78053	0.1
171.10278	0.6
172.10609	0.3
177.34473	0.1
209.11896	0.3
253.21838	0.4
255.23344	0.2
267.84167	0.1
278.22040	0.2
280.22003	0.1
281.24863	0.2
307.76395	0.1
318.88672	0.2
540.41821	0.2
696.06219	0.2
731.42169	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	729.3335
Annotation	Unknow
Peak:m/z	Relative Intensity
55.47317	0.1
57.03411	0.1
59.01096	0.2
59.01373	2.3
61.98830	1.2
62.72995	0.1
69.85973	0.3
69.86362	0.2
71.01375	1.7
73.02943	1.8
83.01392	0.5
85.02942	0.9
89.02458	0.1
95.01376	0.1
96.95999	0.8
97.02934	0.1
98.19875	0.2
99.00868	0.3
101.02431	2.0
113.02464	0.7
125.02438	0.3
126.84953	0.1
134.03709	0.1
135.04466	0.2
137.02396	0.1
145.62996	0.1
159.02966	0.1
161.02364	0.1
161.04518	0.3
165.05443	0.1
191.05591	0.5
203.05592	0.1
209.11794	0.3
286.22061	0.1
289.07254	0.1
319.22748	4.0
320.23032	0.4
333.24438	0.2
452.09149	0.1
463.26950	0.3
481.27991	100.0
482.28336	17.0
495.29520	0.2
523.29071	4.4
524.29248	0.7
685.34503	0.5
686.35895	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	730.1798
Annotation	Unknow
Peak:m/z	Relative Intensity
51.01840	0.2
57.03461	0.2
57.97551	0.4
59.01379	1.0
60.24683	0.2
61.98833	0.2
66.39915	0.2
67.01895	0.4
69.03455	0.3
71.01372	0.7
82.77531	0.2
83.43957	0.2
85.02946	7.6
86.66860	0.2
87.00873	1.4
89.02447	0.2
93.03460	3.6
95.98477	0.2
96.96004	1.7
99.00864	0.3
99.04552	0.3
101.02408	0.3
109.02937	1.1
111.04523	1.0
116.92928	0.3
125.02483	0.3
127.04008	1.9
135.04515	0.9
137.02428	0.5
150.03212	0.2
161.02464	0.5
165.01962	0.2
167.06456	0.2
171.02986	0.6
172.05370	0.3
173.04567	2.9
173.06018	0.4
177.02008	0.5
179.03523	0.5
187.04030	1.6
187.07657	1.8
188.04515	0.3
191.05603	100.0
192.05945	4.3
200.04828	0.2
201.05559	0.4
201.09146	0.2
202.06314	2.3
203.07098	0.9
206.76939	0.2
213.09068	0.3
215.07111	1.4
217.08481	0.2
231.10272	0.5
239.06787	0.2
245.11871	1.0
247.09773	0.7
257.08127	0.4
263.12903	0.3
275.09207	0.5
289.07553	0.4
289.10760	3.2
289.14050	0.3
307.11911	1.5
309.08481	0.2
331.04224	0.2
355.11761	0.2
449.14468	1.8
451.10126	0.3
463.15720	0.5
481.17142	8.9
482.17136	1.5
694.54633	0.2
694.66486	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	728.3864
Annotation	Unknow
Peak:m/z	Relative Intensity
53.96399	0.1
59.01373	1.4
60.01700	0.2
61.98827	100.0
62.98541	0.2
64.15158	0.1
71.01385	0.4
78.35799	0.1
79.95727	0.2
85.02995	0.2
89.02432	0.1
93.03484	0.4
96.96010	1.9
101.02432	0.3
109.02929	0.1
109.66292	0.1
113.02497	0.2
117.33411	0.1
121.02991	0.1
125.02453	0.2
135.04529	0.4
137.02449	0.2
139.08772	0.1
161.02463	0.4
173.04587	0.2
177.01964	0.1
179.03587	0.3
190.02876	0.1
191.04056	0.2
191.05542	1.0
203.07207	0.1
205.57605	0.1
209.11856	0.3
225.11279	0.2
227.12875	0.1
231.06862	0.8
289.07382	0.3
292.57281	0.1
365.17978	0.6
429.06564	0.2
463.14459	0.3
503.34219	0.2
504.34152	1.0
505.34314	1.2
506.34689	1.3
507.35242	0.2
523.29303	0.2
552.17273	0.1
693.31586	0.2
728.42230	0.6
729.37207	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	728.2769
Annotation	Unknow
Peak:m/z	Relative Intensity
56.11539	0.4
59.01379	2.9
60.45592	0.5
61.98826	22.1
62.47477	0.5
70.94208	1.3
71.01375	2.7
72.99304	0.5
73.02937	1.6
83.01412	0.9
85.02975	1.8
89.02441	1.0
91.05543	0.6
93.03477	0.7
96.96010	1.7
98.72893	0.5
101.02390	2.6
107.05076	1.3
113.02439	1.0
113.78952	0.5
117.03485	1.4
120.65531	0.6
121.30206	0.5
125.02438	1.3
132.02124	1.0
133.02948	14.2
134.03752	7.6
135.04515	100.0
136.04851	4.3
137.02487	0.8
147.04495	0.8
161.02432	41.4
162.02757	2.0
179.03482	58.4
180.03807	3.9
191.05621	2.2
200.85649	0.6
289.07349	0.9
307.49335	0.6
371.20810	1.0
372.76791	0.5
534.39044	0.5
665.28046	89.4
666.28558	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	727.427
Annotation	Unknow
Peak:m/z	Relative Intensity
53.39096	0.3
59.01376	12.9
61.98823	1.2
71.01360	1.8
71.61623	0.5
78.39137	0.3
78.95898	0.8
85.02927	0.6
87.00864	0.5
89.02428	1.3
95.04991	0.3
101.02446	1.1
108.63672	0.3
113.02434	0.7
125.09724	0.7
127.11269	1.5
152.99553	1.1
161.04509	0.9
171.10251	100.0
172.10579	5.2
179.05637	0.4
191.05573	0.8
235.08208	1.5
253.09270	4.3
255.23306	1.7
271.50418	0.3
277.21689	49.2
278.22009	4.2
356.02383	0.4
407.19162	3.4
408.19473	0.4
513.30566	0.5
546.07349	0.3
632.23065	0.3
637.36450	0.5
645.48969	0.3
709.38586	1.6
710.38507	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	727.4787
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01370	1.4
61.98814	1.5
63.60306	0.4
69.65250	2.4
71.01379	0.8
84.65575	0.3
96.95992	1.6
98.19855	0.5
108.03981	0.4
113.72196	0.4
135.04564	0.6
171.10292	0.4
173.13416	0.4
191.05652	1.4
195.13950	0.6
196.03282	0.3
197.11775	0.8
199.09677	1.2
205.12262	0.5
207.10172	0.5
209.11829	0.9
211.13419	0.6
223.13359	6.7
224.13719	0.4
225.11314	0.4
243.23438	0.4
253.09210	0.6
303.77652	0.4
314.49731	0.4
365.28351	0.9
366.29080	0.5
375.30258	0.6
389.28574	2.0
391.30096	2.3
403.30148	1.0
407.29568	1.5
421.31296	0.5
423.32648	0.9
433.27325	1.2
435.29126	1.5
457.33014	1.1
467.31808	1.0
467.87012	0.4
473.32666	2.7
503.33759	100.0
504.34113	18.1
504.41714	0.9
543.51166	0.5
727.35706	0.7
728.35022	0.5
730.78296	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	727.4275
Annotation	Unknow
Peak:m/z	Relative Intensity
54.49851	0.5
59.01088	1.2
59.01379	16.6
61.98816	1.0
62.29992	0.6
71.01389	2.5
73.02955	0.6
76.91223	0.5
78.95910	2.5
85.02970	1.0
85.18311	0.6
89.02445	1.3
98.20632	1.6
98.62418	0.6
101.02448	2.3
113.02453	1.1
119.03564	0.9
121.28507	0.6
125.09711	0.9
127.11294	1.3
140.38132	0.6
143.81172	0.6
148.26595	0.6
152.99590	1.9
161.04584	1.2
162.70947	0.6
163.11391	0.8
171.10266	87.1
172.10625	4.9
191.80688	0.6
192.89816	0.6
209.11813	4.2
210.12193	0.8
212.08296	0.5
229.38489	0.7
235.08290	3.9
253.09293	7.3
254.09477	0.7
255.23262	4.6
277.21710	100.0
278.22043	8.9
281.24832	6.8
291.62659	0.6
407.19037	0.9
473.16400	0.7
513.30389	1.6
709.39478	1.5
727.39795	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	727.412
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	1.1
57.03446	1.2
58.00588	1.6
59.01376	28.0
61.98828	4.8
69.03460	0.9
71.01379	21.5
71.19199	1.6
71.19551	1.5
72.99295	2.1
73.02959	4.1
78.95896	1.3
81.03448	1.5
81.39529	0.8
83.01379	2.3
85.02955	5.7
87.00879	4.6
89.02439	22.6
89.91020	0.9
95.01355	1.7
97.02929	4.7
99.00843	1.4
101.02428	18.3
111.04501	1.2
113.02437	7.9
119.03516	4.8
125.02431	6.6
143.03448	2.6
161.04544	3.4
179.05637	4.6
217.07152	0.9
221.06738	1.8
235.08221	8.9
253.09286	2.2
269.24826	66.1
270.25180	8.1
287.07767	3.2
305.08737	3.6
323.09705	1.4
397.13461	100.0
398.13803	7.9
415.14520	28.4
416.14890	2.1
667.39111	4.8
668.39044	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	725.411
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	1.1
59.01372	7.4
61.98818	2.5
68.70515	0.4
71.01369	4.9
73.02947	1.5
83.01368	0.6
85.02940	1.0
87.00892	0.6
89.02440	3.9
94.01773	0.5
95.04993	0.6
96.96030	1.1
97.06572	3.9
101.02444	4.0
107.81734	0.5
113.02457	2.8
113.09734	0.5
119.03461	0.8
125.02398	0.6
133.11417	0.5
134.03725	1.2
135.04498	0.5
151.11279	13.5
161.04550	1.7
163.04033	1.1
169.12325	92.6
170.12695	5.2
171.10278	1.1
179.05553	0.7
191.05557	0.7
193.05063	1.8
195.10239	1.9
195.13849	3.2
197.11809	0.9
209.11774	1.2
213.11295	10.3
223.13367	1.6
229.40179	0.5
235.08051	1.1
253.09256	2.8
275.20181	1.6
279.19547	0.7
293.21188	11.2
294.21597	1.1
431.19110	2.0
449.20221	6.3
519.99841	0.6
725.41125	100.0
726.41412	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	726.261
Annotation	Unknow
Peak:m/z	Relative Intensity
54.09548	0.9
58.64632	0.8
59.01375	10.1
61.98826	33.7
69.25850	7.8
69.26256	1.9
71.01379	15.5
73.02953	3.0
76.29294	0.8
77.53191	1.1
78.80645	0.8
79.95744	2.0
83.01404	1.5
83.05039	1.0
85.02942	4.1
87.00880	1.9
88.98793	1.4
89.02444	6.0
91.05480	1.0
92.17569	0.9
93.03460	3.0
96.96008	15.9
97.02967	1.5
98.20587	1.7
99.00876	4.3
101.02460	3.5
106.24857	0.9
106.82185	1.1
107.05040	1.8
109.02911	2.0
113.02408	1.9
116.92863	1.2
117.03479	1.9
121.02963	1.9
123.04501	1.1
125.02456	1.9
132.02197	2.0
133.02933	17.3
134.03755	9.1
135.04515	100.0
136.04860	4.7
137.02425	1.8
149.02464	1.6
150.02951	1.0
151.03825	1.0
160.01662	2.0
161.02429	52.6
162.02742	2.2
164.04720	2.5
165.05386	2.1
171.10266	7.1
172.10600	2.9
173.04509	3.7
175.03966	2.5
177.01904	14.5
179.03482	61.3
180.03853	3.3
190.02673	1.3
191.05591	13.8
191.07159	1.6
199.09772	0.9
201.11310	6.4
202.11671	1.9
209.11795	9.8
210.12129	4.1
219.85272	1.0
223.06097	2.9
224.06387	0.9
225.11394	1.3
227.12898	3.0
251.05551	8.8
253.09294	2.2
258.01718	2.2
259.02087	2.0
271.02484	1.4
272.03171	2.3
273.03662	3.0
274.04230	1.1
289.07394	1.3
301.03595	7.3
302.03885	6.4
311.07770	9.5
331.04596	4.5
332.04919	3.2
353.08795	22.0
354.09030	1.4
383.09811	22.1
384.09964	2.2
403.06586	2.2
413.10876	36.6
414.11191	3.0
437.10486	1.1
473.12991	19.7
474.13425	2.7
503.33521	3.1
504.33957	2.6
525.10321	2.6
526.10840	10.2
527.10999	2.3
528.10840	1.2
623.36157	1.1
663.26489	50.1
664.26874	10.4
688.15961	5.8
691.18463	3.7
726.22021	1.4
726.32800	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	725.4114
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	36.6
60.01700	0.5
61.98802	1.0
69.39520	0.9
69.39933	1.6
71.01354	1.2
81.40771	0.3
85.02924	0.5
89.02414	1.0
89.83444	0.3
93.03425	0.6
93.98616	0.3
96.95994	0.8
101.02411	1.2
113.02473	1.6
119.03470	1.2
123.25607	0.3
135.04468	1.0
146.36694	0.3
161.02341	0.5
173.04440	0.9
173.13359	0.6
179.03540	0.6
191.05615	1.5
222.68840	0.3
258.04367	0.3
283.42789	0.3
365.28232	0.5
371.14951	0.9
389.28561	1.3
390.28934	0.6
391.30057	2.8
403.29919	0.9
407.29550	1.3
421.31259	0.7
423.32666	0.8
433.26950	0.5
435.28937	1.7
437.30951	0.5
439.32001	0.5
455.31677	0.4
457.33179	1.1
467.31406	0.8
473.32660	2.4
485.32846	0.7
486.33511	0.4
503.33740	100.0
504.34119	18.7
517.35614	0.5
518.76367	0.4
545.34772	1.0
665.39294	2.4
666.39453	0.5
725.28778	0.8
725.41235	14.0
726.30017	0.6
726.41699	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	725.3755
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03433	1.1
57.91388	0.4
58.45304	0.3
59.01377	11.6
60.61407	0.4
61.98830	2.1
66.35896	0.4
69.03448	1.9
71.01370	3.5
71.05009	0.4
71.61553	0.6
72.99310	0.4
73.02909	0.7
78.95912	0.9
82.26711	0.3
83.01387	0.4
83.05021	0.5
85.02938	0.8
87.00854	1.2
89.02434	2.5
93.03438	0.5
93.08360	0.4
95.05029	0.6
96.96002	1.3
97.02923	0.6
101.02423	2.7
111.08138	1.0
113.02432	1.4
119.03426	0.5
119.05010	0.7
121.02911	0.5
125.02424	0.7
125.09679	1.0
134.03693	1.2
145.05046	0.5
149.09741	0.7
151.11287	0.4
153.09248	0.4
153.12823	0.4
161.04543	1.4
163.03954	1.3
167.10741	3.0
169.12401	2.4
179.05650	0.9
179.10725	1.6
179.14362	3.0
185.32864	0.4
193.05055	1.7
195.13878	10.2
197.11813	30.3
198.12140	1.6
199.09680	0.7
199.13391	0.6
205.12317	10.2
209.11855	0.7
211.13478	0.7
223.13371	100.0
224.13728	6.8
227.12802	0.5
235.08238	4.1
253.09219	7.5
291.19666	3.2
293.21283	1.0
309.20685	9.2
310.20959	1.1
411.25385	1.2
429.26385	0.9
433.20804	1.4
441.21191	3.3
459.22318	16.1
460.22867	2.5
621.32666	0.7
647.34894	2.3
648.34851	0.6
665.35352	4.3
666.35742	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.4322
Annotation	Unknow
Peak:m/z	Relative Intensity
51.89031	0.2
55.01880	0.4
56.76639	0.2
58.00607	0.3
59.01373	3.3
59.89716	0.3
60.01701	0.2
61.98825	0.7
65.23315	0.2
71.01377	3.0
73.02949	0.6
78.95885	0.4
79.27309	0.2
80.02664	0.7
81.03461	0.7
83.01370	0.5
83.05016	4.2
83.37501	0.2
83.74950	0.2
84.02159	0.7
85.02939	0.7
87.00872	0.7
89.02445	1.9
95.01417	0.2
95.05016	0.5
96.96017	0.3
98.19861	0.7
101.02437	2.5
109.06601	0.3
113.02425	1.4
113.06129	0.2
119.03514	0.6
125.06067	0.6
134.53844	0.2
135.08177	0.8
145.05028	0.4
147.11684	0.3
152.99615	0.4
161.04567	1.1
163.11282	3.6
164.11545	0.3
165.12863	2.2
178.19865	0.2
181.12329	0.4
191.10709	0.9
207.10260	0.5
209.11804	100.0
210.12134	6.0
225.11215	0.5
227.12862	12.2
228.13226	0.5
235.08157	2.3
253.09238	9.2
254.09604	0.5
259.20490	0.3
277.21686	68.3
278.22021	7.8
445.20691	0.8
446.21207	0.3
463.21454	0.3
469.14767	0.4
513.30505	0.3
705.35699	0.3
723.42627	0.5
738.63568	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	725.193
Annotation	Unknow
Peak:m/z	Relative Intensity
50.99249	0.5
57.03447	0.7
59.01372	2.3
67.01877	3.2
71.01358	2.8
71.60745	0.6
71.61129	1.0
75.07306	0.7
79.55936	0.6
85.02947	6.4
87.00871	2.4
88.66638	0.6
89.02480	0.8
90.93505	0.8
93.03452	20.3
94.03773	0.7
96.96035	1.2
109.02952	2.5
111.04509	3.8
113.02439	1.0
123.04483	1.5
125.02446	0.6
127.03973	2.1
133.02956	2.9
135.04520	35.7
136.04829	1.5
137.02434	3.5
137.23352	0.6
151.02588	2.7
153.05566	1.5
155.03484	2.1
161.02434	2.1
165.04184	1.5
167.03474	0.8
173.04527	59.4
174.04881	2.5
177.01851	1.5
179.03500	5.3
191.05595	100.0
192.05949	7.2
193.06131	0.9
197.04524	1.6
215.05585	0.8
250.22905	0.6
257.19727	0.7
257.48135	0.6
283.06888	1.6
299.07422	0.7
326.63705	0.7
341.08731	1.9
351.07190	1.4
353.08722	11.6
354.09024	1.3
371.09781	73.1
372.10126	6.9
383.11600	0.7
569.09875	0.7
665.21539	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	725.2293
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01853	0.3
59.01373	3.6
61.98829	5.1
63.15121	0.3
65.51875	0.3
71.01378	2.9
73.02928	0.7
75.00880	0.5
83.01396	0.4
85.02940	1.5
87.00867	0.5
88.98793	0.4
89.02447	1.0
91.01877	1.5
93.03442	1.9
96.96006	2.7
97.02910	0.5
99.00865	0.4
99.92586	0.5
101.02444	1.0
103.05542	0.7
105.07084	1.3
109.02952	0.5
113.02432	1.3
115.05521	0.9
116.90822	0.3
116.92852	4.5
117.01915	0.6
118.04237	0.5
119.01379	0.4
119.05037	0.7
120.84364	0.3
121.02935	1.5
125.02410	2.4
127.04026	0.4
129.17439	0.4
131.05037	1.8
133.02919	1.0
133.06606	2.8
134.03743	0.9
135.04536	2.0
135.96252	0.3
137.02449	0.9
147.04482	1.8
149.02412	0.5
149.06079	0.5
151.04002	7.1
161.02412	1.7
161.04550	0.4
163.11339	0.3
166.02705	0.5
169.12326	0.5
170.04753	0.3
171.10252	2.1
173.04526	1.9
175.03954	0.7
177.05537	1.3
178.02699	0.3
179.03447	1.2
179.07117	1.2
179.10756	0.4
185.06039	0.3
187.07571	0.5
188.90425	0.3
191.05595	6.2
197.11897	0.4
199.09708	0.7
207.10252	1.1
209.11873	2.5
222.05252	1.2
223.06078	0.7
225.11264	2.3
227.12852	1.0
233.06593	0.6
237.07661	100.0
238.07997	7.4
243.12384	0.5
253.09235	0.5
255.06679	0.4
261.06821	0.3
275.07794	1.0
279.08688	1.8
327.21765	0.4
353.08716	0.7
449.14050	0.5
453.13889	1.5
461.20355	0.4
503.17126	1.3
503.33633	2.0
504.17520	0.6
513.16248	2.3
514.10419	0.4
563.21301	0.9
575.21155	0.3
621.40179	0.6
627.29797	0.6
653.31543	0.9
665.38959	1.9
671.33051	1.1
675.32208	0.5
725.20642	0.3
725.34070	0.9
726.33588	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.4147
Annotation	Unknow
Peak:m/z	Relative Intensity
55.47932	0.2
56.81567	0.2
56.95142	0.2
59.01374	2.1
60.41397	0.2
61.98821	0.8
65.76885	0.2
69.41388	0.5
69.41789	1.4
71.01368	2.8
73.02955	0.4
79.95741	1.3
83.01376	0.3
85.02933	0.3
88.98804	0.4
89.02430	0.4
92.86001	0.2
93.03439	0.3
96.96001	58.6
97.95948	0.3
101.02458	0.5
106.87569	0.2
109.02914	0.2
109.06586	0.4
112.26056	0.2
113.02445	0.3
125.02448	0.4
161.02431	0.3
161.04517	0.3
163.11240	0.3
171.10249	0.6
172.10451	0.2
174.64075	0.2
191.05605	0.9
197.11798	0.6
201.11397	0.3
207.10245	0.8
208.10532	0.5
209.11804	2.3
210.12120	0.5
225.11282	0.8
226.11604	0.2
227.12910	0.3
253.09077	0.3
307.19089	0.3
397.20474	100.0
398.20813	12.4
457.84613	0.2
460.55954	0.2
463.20538	0.3
582.26440	0.2
619.38409	0.4
621.30743	0.3
703.20166	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.3958
Annotation	Unknow
Peak:m/z	Relative Intensity
55.72718	0.2
57.03442	0.4
58.54463	0.2
59.01382	2.4
60.99294	0.2
61.98825	0.3
69.03463	0.2
71.01379	2.2
71.05013	0.4
71.77522	0.1
72.02164	0.2
73.02939	2.5
78.46368	0.1
78.95908	0.2
79.95738	0.5
83.01399	0.2
83.05042	0.8
83.40847	0.2
85.02940	0.5
87.00864	0.6
89.02429	0.3
93.03445	0.8
96.96008	14.6
97.02913	0.2
101.02431	0.8
109.02921	0.3
109.06494	0.2
111.04597	0.2
113.02432	0.5
125.02448	0.3
133.02953	0.2
134.03699	0.3
135.04497	0.6
137.02463	0.2
143.03458	0.2
149.02408	0.5
161.02434	0.5
164.04765	0.4
165.05533	0.2
169.10129	0.1
171.10307	0.7
172.10646	0.2
173.04564	0.8
177.01909	0.4
179.03455	0.3
189.12891	0.3
191.05597	1.4
193.04967	0.2
197.11830	0.4
201.11311	0.5
205.04941	0.2
207.10316	0.2
209.11855	0.5
216.21645	0.2
223.06020	0.8
236.06783	0.2
241.10750	0.5
289.49130	0.2
361.25287	0.4
373.29028	0.3
375.26794	0.3
377.28366	0.8
389.28479	2.1
390.28699	0.3
391.30215	1.2
392.30557	0.3
401.28528	0.3
405.27783	0.3
407.29526	4.4
408.29855	0.8
419.29565	0.8
423.29056	1.2
425.30490	0.4
435.29031	0.2
437.30600	0.4
439.32095	1.9
440.32568	0.3
451.28458	0.2
455.31577	0.4
457.33163	0.6
459.31262	0.4
473.32715	0.7
475.34332	0.3
476.33945	0.3
481.16977	0.3
482.18192	0.2
489.32166	0.7
501.32193	4.1
502.32657	0.9
519.33209	100.0
520.33575	18.6
533.34912	0.3
561.34277	1.8
562.34637	0.5
603.35254	0.3
663.36902	0.4
723.26587	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.3961
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	0.2
59.01379	3.0
60.99320	0.2
61.98825	0.5
70.21434	0.2
71.01381	2.1
71.05007	0.5
71.62077	0.3
71.62507	0.2
72.02161	0.4
73.02943	2.5
75.00865	0.2
78.95899	0.3
79.95731	0.5
82.95432	0.2
83.05020	0.8
85.02946	0.6
87.00864	0.5
89.02460	0.3
93.03474	0.8
96.96008	18.2
97.02969	0.2
101.02435	1.1
109.02905	0.2
113.02464	0.4
119.03471	0.2
123.04476	0.2
125.02458	0.4
133.02940	0.5
135.04543	0.9
137.02457	0.4
147.08147	0.2
149.02419	0.6
155.03470	0.1
161.02454	1.1
161.04546	0.2
163.11340	0.2
164.04803	0.5
169.12413	0.2
171.10272	0.7
173.04509	0.9
175.04027	0.2
177.01901	0.8
179.03447	0.8
187.11415	0.2
189.12927	0.2
191.05612	2.1
192.06007	0.2
193.05058	0.2
197.11809	0.3
201.11267	0.7
209.11870	0.3
223.06119	0.8
225.11258	0.5
239.71043	0.2
241.10881	0.4
289.07217	0.3
323.23874	0.2
325.20340	0.2
357.25989	0.2
361.25226	0.3
371.27390	0.3
373.29062	0.3
375.26932	0.3
377.28674	0.8
387.26944	0.3
389.28558	2.1
390.29001	0.5
391.29947	1.6
401.28717	0.2
405.27905	0.4
407.29517	4.4
408.29865	0.7
419.29810	1.1
420.29883	0.2
423.28934	1.1
424.29260	0.2
425.30597	0.4
435.29263	0.2
437.30746	0.4
439.32266	1.6
451.28464	0.2
455.31519	0.3
457.33386	0.5
459.30862	0.3
473.32825	0.7
475.33972	0.2
481.16751	0.3
489.32159	0.6
501.32144	3.9
502.32596	0.7
519.33221	100.0
520.33575	18.1
533.35034	0.3
561.21497	0.5
561.34271	1.6
562.34210	0.5
603.36273	0.2
682.25745	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.3782
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	0.5
57.03440	0.5
59.01377	8.0
61.98825	2.7
69.03430	0.4
69.42062	3.4
71.01375	5.0
72.99290	0.5
73.02951	0.9
78.07064	0.3
80.02685	0.9
81.03448	1.2
83.01411	0.6
83.05023	3.1
85.02959	1.8
87.00890	1.5
89.02451	2.3
89.60496	0.4
93.03463	1.2
93.36449	0.4
95.04995	0.7
96.96001	5.7
99.00873	1.0
101.02422	2.6
109.02952	0.6
109.06607	0.5
113.02433	1.7
119.03478	1.1
119.05028	0.4
125.02470	0.5
125.06071	0.8
125.09717	1.9
127.11287	1.4
133.02948	1.4
134.03743	1.2
135.04518	2.5
135.08119	0.8
137.02463	0.9
137.09708	0.6
149.02356	0.7
151.03928	0.6
155.10822	0.5
161.02454	3.4
161.04558	1.6
162.02745	0.4
163.11275	4.3
165.09166	0.5
165.12839	1.6
169.12332	1.5
171.10249	6.2
172.10527	0.6
173.04498	1.0
175.04065	0.4
178.79402	0.4
179.03493	1.6
179.05507	0.6
181.12344	0.9
185.11748	0.5
189.05449	0.5
189.29607	0.4
191.05609	4.6
191.10706	0.9
193.05023	0.9
197.11812	0.9
199.09819	1.1
199.13359	1.1
201.11314	22.9
202.11658	1.5
207.10242	1.8
209.11815	100.0
210.12152	7.4
215.12833	0.5
223.06134	0.6
225.11301	3.2
227.12877	13.9
228.13170	1.5
235.08167	2.6
243.12328	0.5
253.09267	8.2
261.30267	0.5
308.05927	0.4
354.54947	0.4
359.14511	0.4
375.21814	0.6
393.22751	0.5
408.47623	0.5
437.20270	1.4
445.20840	4.7
446.21320	0.6
449.14679	0.4
461.20435	0.8
463.21503	0.5
483.31284	1.1
501.32205	12.5
502.32510	2.7
519.33728	0.5
543.54932	0.4
566.12756	0.4
611.31219	0.6
629.32031	0.5
633.31195	1.2
637.32593	0.5
663.37183	0.4
673.30548	0.5
687.31586	0.8
705.32849	1.3
723.27435	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	723.2999
Annotation	Unknow
Peak:m/z	Relative Intensity
54.36580	2.6
54.64683	2.8
54.87658	2.6
59.01377	53.5
61.48609	2.4
61.98825	43.3
69.03453	8.1
69.45686	22.1
71.01380	39.0
72.99297	4.1
73.02947	6.7
81.03436	6.7
82.81187	2.6
83.01378	3.9
83.05035	6.3
85.02954	13.1
87.00864	6.3
89.02461	15.0
89.03039	2.8
93.03441	6.7
94.85497	2.5
95.01370	3.4
95.05061	3.8
96.95995	5.9
97.02948	10.8
97.06589	4.2
99.00919	5.5
101.02448	15.8
109.06584	39.8
110.03755	3.4
113.02458	5.9
123.04494	4.3
125.02422	8.8
125.06091	4.9
125.09711	16.8
135.08139	8.7
137.09703	4.8
151.07623	2.9
151.11308	3.2
155.10751	2.9
161.02403	5.1
161.09686	6.6
163.11299	21.5
171.10243	29.1
173.04488	5.5
179.10783	12.5
181.12285	6.5
187.09752	7.9
191.05592	18.2
197.11807	53.0
198.12119	3.4
199.09744	37.3
201.11343	7.9
207.10246	100.0
208.10582	8.1
209.11809	72.7
210.12181	6.9
211.13310	5.3
221.11861	3.5
223.09863	13.0
223.13359	7.6
225.11301	58.4
226.11629	3.7
227.12790	13.5
235.08238	8.9
237.11232	4.0
241.10860	4.6
253.09264	15.3
345.20850	3.8
353.89807	2.9
363.21786	3.7
371.18384	9.9
389.19418	5.0
397.20032	3.1
415.21240	8.5
433.21942	3.2
459.00967	3.4
459.18369	5.3
461.20682	17.6
462.20221	3.0
477.19662	4.2
597.29285	6.1
607.27612	26.4
608.27789	4.3
625.28516	41.3
626.29358	7.3
633.28607	5.3
643.29626	40.5
644.29987	8.5
651.30396	16.7
652.29932	6.3
669.31134	18.3
670.31232	3.6
687.32172	55.6
688.32794	11.4
723.33423	3.6
730.46063	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	723.2352
Annotation	Unknow
Peak:m/z	Relative Intensity
58.93686	0.2
59.01372	0.6
59.01642	0.2
67.01881	0.6
68.91592	0.2
69.75782	1.1
71.01373	0.7
81.03451	0.2
83.05003	0.2
85.02940	5.6
86.03237	0.2
87.00860	1.7
93.03445	4.4
93.04008	0.4
96.96013	0.3
105.03473	0.2
109.02948	1.1
111.04504	1.1
113.16182	0.2
123.04530	0.5
126.89710	0.2
127.03995	1.6
131.31165	0.2
133.02933	2.2
135.04504	3.3
137.02449	0.3
151.03996	0.5
155.03421	0.3
161.02449	1.5
165.04158	8.0
171.02917	0.2
173.04536	4.1
177.01927	1.0
179.03477	1.7
189.49167	0.2
191.05588	100.0
192.05940	4.2
195.02946	0.7
202.02202	0.2
215.05603	0.6
251.28824	0.2
257.29407	0.2
273.11957	0.2
341.07455	0.3
351.07111	1.5
352.07474	0.4
353.08713	16.5
354.09109	1.6
369.08130	2.8
371.09683	0.7
500.67209	0.2
500.85263	0.2
667.81421	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.177
Annotation	Unknow
Peak:m/z	Relative Intensity
52.78093	0.3
57.03438	0.5
59.01370	1.0
60.99295	1.5
67.01889	3.4
69.03451	0.7
69.25404	2.7
71.01384	1.6
73.02965	0.4
75.86552	0.3
79.34930	0.3
80.48748	0.3
81.03442	1.1
83.05000	0.6
85.02946	6.9
86.73869	0.3
87.00874	6.0
89.03938	0.4
93.03452	25.5
94.03784	1.2
95.05045	0.3
98.20728	0.5
99.00886	0.6
99.04533	0.4
105.03438	2.0
106.05467	0.3
107.05059	0.6
109.02927	1.9
111.04520	4.1
121.02919	0.7
123.04517	12.3
124.04945	0.4
125.02358	0.4
127.04005	1.5
129.01921	0.5
133.02950	15.9
134.03310	0.7
135.04483	2.1
137.02434	1.0
149.02461	1.1
150.03177	0.3
151.04004	1.1
155.03494	0.7
161.02440	0.9
171.03004	0.4
173.04547	19.4
174.04897	0.7
177.01910	10.1
178.02229	0.6
179.03508	1.7
191.05603	100.0
192.05943	4.6
193.06129	0.6
195.03004	6.6
215.05635	3.6
289.06784	0.4
290.31467	0.3
335.81299	0.3
351.07172	11.3
352.07388	1.3
353.04446	0.7
353.08740	10.3
354.09143	1.1
369.03070	1.8
369.08194	35.6
370.08496	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	721.3648
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00327	0.8
55.01895	0.8
57.03460	1.5
58.00590	0.8
59.01382	9.1
61.98824	2.9
62.91671	0.6
63.66703	0.6
64.03417	0.6
67.01904	0.6
67.50861	0.6
69.03442	0.8
69.64415	0.5
71.01379	85.7
71.05012	0.5
71.56909	0.6
72.01727	1.5
72.99307	0.7
73.02950	2.6
76.47266	0.5
79.18327	0.5
80.02676	1.8
81.03439	2.8
83.01400	1.2
83.05025	6.6
84.02145	1.2
85.02949	2.7
87.00897	1.8
89.02419	3.0
93.03447	1.2
95.01398	1.0
95.04998	1.2
96.96042	0.8
97.02946	4.0
99.00898	2.9
101.02444	4.9
107.05038	0.9
109.02961	0.7
109.06584	13.3
110.03748	0.7
110.06933	0.7
113.02447	2.5
119.03445	0.7
121.02946	0.7
121.06591	1.5
123.04495	0.6
123.08181	1.7
125.02457	1.4
125.09731	2.3
127.11282	1.2
135.08200	1.5
136.05296	0.6
137.02423	1.1
139.07666	0.9
142.02707	1.0
143.03514	0.8
145.04974	0.7
149.02281	0.6
155.10741	1.0
161.04567	2.2
161.09738	0.9
163.11269	11.7
164.11656	0.7
165.09160	1.0
165.12840	2.1
169.12363	0.6
171.10265	18.7
172.98349	0.5
179.05505	0.7
181.12326	6.2
185.11815	1.9
189.09192	1.2
191.05605	3.2
191.10719	1.1
197.11768	1.1
199.09836	1.4
199.13440	3.1
201.11285	8.3
202.11583	0.8
207.10246	36.5
208.10570	1.9
209.11813	100.0
210.12141	6.0
215.12959	1.5
225.11305	31.9
226.11623	1.7
227.12848	12.2
228.13249	1.5
235.08229	1.7
243.12311	2.8
253.09241	9.8
354.21304	0.7
399.21735	2.1
417.22751	2.5
443.19092	1.0
461.20239	8.1
462.20844	0.8
479.21249	0.8
635.30597	2.3
636.30518	1.0
636.95795	0.8
653.31506	3.7
654.31775	1.3
671.32898	5.3
672.33490	2.8
689.34100	6.0
690.33917	1.1
721.37036	6.2
722.36926	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	721.3652
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	1.2
59.01379	8.1
61.98828	7.9
70.11276	3.8
71.01376	78.6
72.01712	1.1
73.02927	1.8
78.95872	1.6
80.02691	1.5
81.03454	2.2
83.01352	1.2
83.05020	6.3
85.02940	2.2
87.00864	2.6
89.02431	2.9
91.13646	0.7
95.05006	1.3
97.02943	3.7
97.06580	1.0
99.00861	2.4
101.02457	4.2
109.06577	9.8
110.03725	1.3
113.02405	3.1
119.03489	1.1
125.02402	2.7
125.09670	1.9
127.11281	1.0
128.90923	0.8
130.77728	0.9
135.08141	2.7
135.99355	0.8
137.02374	0.8
142.02701	0.8
147.11905	0.7
161.04536	1.3
161.09608	1.5
161.66814	0.8
163.10233	1.0
163.11317	9.6
165.12717	2.0
171.10284	12.7
181.12308	3.7
185.11850	2.3
191.05701	0.9
191.10738	1.2
195.13919	1.3
197.11783	1.6
197.57011	0.8
199.09760	1.4
199.13390	1.6
201.11307	4.2
207.10249	27.6
208.10532	2.2
209.11818	100.0
210.12129	8.7
215.12811	0.9
225.09207	1.2
225.11316	19.6
226.11557	1.8
227.12863	7.1
229.06866	0.8
235.08134	3.4
243.12347	3.1
253.09261	8.9
255.23207	0.9
275.20041	1.5
277.21695	2.2
293.21249	13.1
302.46698	0.9
311.44879	0.8
397.13336	1.9
399.21780	1.3
417.22757	2.4
445.20889	1.5
461.20297	6.3
635.30646	1.3
653.31879	1.6
671.33173	4.7
672.33508	1.9
689.34015	5.6
690.33392	1.1
721.36700	1.4
732.50635	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	721.3645
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00312	0.8
57.03439	1.0
59.01379	9.6
61.98837	3.7
69.03439	0.6
69.38028	5.5
71.01381	77.4
72.01707	1.0
73.02947	3.0
80.02679	2.0
81.03471	3.4
83.01386	1.0
83.05025	6.6
84.02161	0.9
85.02960	2.6
87.00881	2.9
89.02454	3.5
93.03459	0.7
95.01432	0.8
95.05013	2.0
96.95995	1.7
97.02936	3.3
97.06566	1.5
99.00870	3.3
101.02451	5.1
107.05051	0.9
109.02930	1.3
109.06590	12.0
110.03725	1.1
111.00883	0.7
113.02490	3.8
119.03490	1.2
121.06598	0.9
125.02431	1.9
125.06077	0.9
125.09682	3.3
127.11267	1.6
129.16803	0.7
135.04536	1.1
135.08163	2.7
137.02357	0.7
137.09706	0.9
142.02748	1.1
145.05075	1.4
149.09723	1.1
151.03998	0.8
151.11305	1.0
153.19659	0.6
155.10840	1.2
158.18834	0.6
161.04552	2.2
161.09674	1.0
163.11292	13.1
165.02151	0.7
165.12828	2.3
171.10255	22.0
172.10594	1.1
173.04568	1.2
175.03824	0.7
179.03508	0.9
179.05688	0.7
181.12375	4.9
185.11792	3.3
189.09222	1.2
191.05568	3.7
191.10760	0.9
197.11807	2.1
199.09708	1.3
199.13374	2.5
201.11317	7.7
202.11583	0.8
207.10263	37.4
208.10567	3.3
209.11823	100.0
210.12172	7.2
215.12872	1.9
223.13521	0.7
225.11308	33.9
226.11626	2.8
227.12881	13.2
228.13089	0.8
235.08249	3.2
243.12398	3.5
251.12987	1.3
253.09242	9.2
254.09692	1.0
281.13779	0.8
289.07050	0.7
399.21698	2.2
417.22556	3.0
443.19400	1.0
445.21652	0.7
461.20328	8.2
462.20532	1.2
479.21887	0.9
635.30737	2.6
653.31708	2.7
654.32617	1.3
671.32965	5.3
672.33655	2.6
673.33423	0.8
689.34326	4.0
690.34003	1.0
721.36829	6.3
743.18536	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	721.3647
Annotation	Unknow
Peak:m/z	Relative Intensity
51.04530	0.9
53.86768	0.7
55.01877	0.8
57.03437	1.9
59.01377	13.3
61.98827	6.8
69.03439	1.1
69.20536	0.8
71.01378	16.1
71.04675	0.7
71.05015	4.0
72.99345	1.1
73.02943	4.4
79.95755	0.9
80.02679	2.3
81.03444	1.9
83.01380	2.5
83.05019	6.4
84.02190	1.4
85.02939	3.4
87.00880	3.3
89.02439	5.8
93.03465	1.7
95.01391	1.0
95.05038	1.4
96.95997	6.1
97.02957	5.2
97.06595	2.2
98.19878	1.5
99.00879	18.9
101.02444	9.0
109.02927	2.0
109.06570	2.3
110.03735	1.0
111.04573	1.6
113.02459	4.2
117.14034	0.7
119.03497	2.2
122.03769	0.8
123.04546	1.1
123.08134	1.3
125.02466	3.3
125.09720	6.5
127.11261	1.4
133.02914	1.2
135.04506	2.6
135.08160	1.7
136.59186	0.8
137.02466	2.0
142.02725	1.6
143.03540	1.2
150.03215	1.0
151.03983	2.1
153.12895	1.3
161.02449	6.6
161.04562	2.2
161.09717	1.4
161.27007	0.9
163.11267	15.8
163.12514	1.2
164.11592	1.0
165.12831	3.8
169.12344	2.5
170.12659	1.7
171.10281	8.8
173.04584	2.8
177.01910	1.5
179.03517	1.2
181.12338	17.1
182.12674	1.8
185.11871	1.0
191.05597	9.4
191.10718	1.3
193.05090	0.8
197.11806	6.8
198.12163	1.6
199.09772	2.2
199.13379	27.5
200.13620	1.6
201.11354	0.9
207.07166	1.1
207.10245	36.2
208.10593	2.5
209.11813	85.0
210.12166	8.1
213.11345	1.1
215.12892	2.0
225.11299	65.4
226.11684	5.0
227.12854	12.7
228.13295	0.8
231.06943	2.7
231.57304	0.9
235.08189	1.6
239.87279	0.8
243.12357	16.5
244.12662	1.0
253.09116	5.5
289.07333	1.1
353.09009	1.0
445.20767	1.4
455.31622	2.2
461.20108	7.2
469.29318	3.9
479.21274	2.2
515.28625	1.5
583.48218	0.9
631.33435	1.1
653.31915	3.2
661.36469	1.0
671.33246	4.8
673.35980	2.0
689.33777	100.0
690.34149	22.2
690.83392	2.0
691.33392	1.2
721.36670	51.6
722.37048	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	721.3647
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	2.4
59.01370	7.0
61.98828	4.7
70.16637	0.5
71.01371	7.3
71.05003	2.9
73.02924	1.7
80.02656	1.0
81.03434	1.3
83.01399	0.8
83.05007	3.6
85.02975	2.8
87.00859	1.6
89.02438	2.9
93.03470	1.5
95.05032	1.2
96.95995	2.4
97.02947	3.5
97.06577	2.0
98.20833	0.5
99.00871	16.5
101.02440	3.9
109.02956	1.5
109.06575	2.2
110.10175	0.6
111.00752	0.6
111.04496	0.9
113.02426	2.2
121.03017	0.5
123.04514	0.7
123.08135	1.5
123.96645	0.6
125.02455	1.0
125.05999	0.7
125.09725	6.8
126.10120	0.7
133.02910	0.9
135.04503	1.7
135.08157	1.5
137.02429	1.2
142.02733	0.9
161.02444	2.8
161.04517	0.9
161.09651	0.7
163.11279	12.5
165.12860	1.2
171.10262	11.3
172.10541	1.0
173.04526	1.6
181.10805	1.2
181.12326	17.3
182.12659	1.7
191.05627	5.4
191.10706	0.7
192.53036	0.7
197.11848	2.8
199.11655	1.1
199.13387	10.7
201.11278	0.8
207.10255	23.4
208.10541	1.7
209.11812	51.0
210.12149	2.7
225.11305	41.4
226.11610	3.1
227.12912	4.8
235.08133	1.4
243.12352	21.3
244.12650	1.1
253.09280	4.0
289.07205	0.7
365.17819	0.7
407.19217	0.8
443.19037	0.9
445.20901	0.8
461.20203	2.3
479.21240	5.0
632.33588	0.6
671.32739	1.6
672.33215	1.0
689.33807	100.0
690.34204	21.5
721.36823	6.7
722.37006	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	721.1977
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	1.0
59.01371	1.6
67.01888	2.9
69.03448	0.7
70.48727	0.5
71.01389	2.5
71.61201	0.6
71.61600	0.7
75.51826	0.5
81.03433	0.7
83.05045	1.5
85.02948	5.8
87.00887	1.3
89.03967	1.3
93.03455	21.3
106.10683	0.6
108.02174	0.6
109.02948	1.4
111.00866	1.3
111.04524	5.4
112.04852	0.8
117.03468	6.9
121.02961	1.7
127.03986	1.5
133.02936	3.2
134.03735	77.4
135.04530	38.9
135.05307	0.4
136.04849	1.5
137.02431	4.9
139.04016	0.9
149.02417	3.4
149.06078	5.9
155.03500	5.8
161.02435	2.9
173.04538	72.5
174.04863	3.4
177.01930	1.5
179.03487	36.2
180.03767	1.3
191.05598	51.2
192.05940	2.3
193.01360	2.4
193.05043	100.0
194.05363	6.0
210.15169	0.6
213.44470	0.6
235.60828	0.6
351.07065	1.8
353.08749	51.7
354.09027	4.4
367.10297	58.4
368.10657	6.0
429.70386	0.6
547.13959	0.7
721.19690	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	721.2555
Annotation	Unknow
Peak:m/z	Relative Intensity
51.01389	0.2
54.93720	0.2
57.54530	0.2
59.01376	0.9
64.11987	0.2
67.01882	0.9
69.03095	0.2
69.03449	0.3
70.32028	0.7
71.01366	0.7
73.02951	0.3
81.03453	0.3
83.05020	0.4
85.02947	5.3
87.00874	2.2
93.03455	7.2
94.03799	0.4
95.01412	0.3
95.05016	0.2
96.95960	0.2
98.20627	0.3
98.37763	0.2
99.04514	0.4
100.85326	0.2
105.03465	0.5
108.70771	0.2
109.02296	0.2
109.02953	1.3
111.04499	1.3
117.03474	0.7
121.02921	0.7
123.04476	0.5
125.02443	0.4
127.04021	1.8
133.02960	3.3
134.03741	5.3
135.04538	4.7
136.04886	0.2
137.02437	1.1
139.04018	0.4
149.02443	1.7
149.06070	0.5
151.04042	0.6
155.03497	0.8
161.02431	1.8
171.03004	0.3
173.04547	8.9
174.04875	0.4
177.01898	1.6
179.03484	3.6
180.03886	0.2
191.05602	100.0
192.05930	4.2
193.01430	0.8
193.05020	6.0
194.05359	0.5
195.02954	0.3
215.05603	1.3
216.05963	0.2
219.39053	0.2
245.34277	0.2
270.79379	0.2
322.59937	0.2
351.07196	3.3
352.07541	0.5
353.08734	17.7
354.09082	1.6
367.06476	0.7
367.10394	3.9
367.17572	0.6
368.10968	0.5
369.03018	0.4
369.08154	0.6
419.07825	0.3
437.08731	0.5
721.19586	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	719.3495
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03471	1.8
57.95086	1.9
58.00541	1.8
59.01374	15.7
61.98830	32.1
69.03451	3.6
71.01379	100.0
71.05030	2.5
71.62282	2.3
71.62669	1.9
72.99306	3.2
73.02931	4.9
75.00888	2.6
79.95749	2.1
81.03450	2.3
83.01373	2.4
83.05018	3.4
85.02972	7.1
87.00893	2.6
89.02432	6.8
93.03452	2.7
95.01394	2.1
95.05025	3.3
96.96008	16.0
97.02951	12.1
97.03526	2.3
97.06595	5.5
99.00867	10.6
101.02421	11.3
104.16048	1.7
109.06575	17.0
111.08221	2.9
113.02439	6.7
123.08184	2.5
125.02420	4.6
125.09688	9.2
126.91029	1.9
135.04524	3.9
135.08171	4.5
142.02718	5.7
150.03137	2.1
161.02470	3.9
161.04486	4.0
161.09750	1.9
163.11270	22.8
164.11623	2.2
169.12334	5.6
171.10260	28.4
172.10612	2.5
179.10782	5.3
181.12308	21.0
185.11723	11.6
191.05611	6.9
197.11826	19.4
199.09833	3.2
199.13374	6.7
201.11314	6.7
205.08600	2.6
207.10262	80.7
208.10576	7.6
209.11797	53.1
210.12178	5.3
213.79298	1.9
223.09756	7.1
225.11314	90.8
226.11650	6.1
227.12930	7.4
235.08183	3.9
243.12312	13.1
247.09621	2.6
253.09276	11.2
273.17099	2.7
279.12106	3.0
341.41949	2.1
345.24478	3.8
371.22357	9.1
389.23352	10.7
395.21280	2.0
407.24298	4.5
415.21161	3.3
443.19266	2.3
461.20163	19.4
462.20844	3.9
479.21246	2.9
607.31006	2.3
625.31934	3.7
633.30872	3.3
651.30109	4.7
659.32892	6.3
669.31262	18.3
670.31964	5.6
687.32129	19.1
719.34766	16.8
720.35425	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	719.3492
Annotation	Unknow
Peak:m/z	Relative Intensity
50.78601	0.8
57.03449	1.0
59.01369	7.7
61.98830	5.0
69.03440	1.8
70.87345	1.9
71.01369	7.0
73.02933	1.4
79.95713	1.0
81.03427	2.5
82.95412	1.2
83.01375	1.2
83.05009	8.3
84.02161	2.5
85.02936	2.2
87.00907	1.2
88.98779	1.4
89.02429	3.0
93.03426	2.0
95.01336	0.9
95.05016	2.2
96.96008	13.1
97.02916	1.3
97.06606	1.1
101.02437	5.1
111.04498	2.7
113.02416	3.4
119.03524	1.6
123.04475	1.8
125.02396	1.2
125.09657	1.4
134.03731	1.0
135.04506	1.1
149.02390	0.8
149.04715	0.8
151.11218	1.5
153.12828	1.0
161.02422	2.8
161.04497	2.2
161.09691	1.2
163.11275	5.6
165.12781	2.7
167.03474	2.9
169.12326	23.1
170.12576	1.5
171.10266	5.7
179.03529	1.2
179.10628	1.3
181.12238	1.1
191.05583	3.6
191.10774	1.4
195.10127	1.2
197.11815	42.4
198.12082	3.0
207.10179	1.5
209.11809	100.0
210.12137	5.6
213.11394	1.0
223.09747	5.4
225.11217	1.7
227.12804	8.0
233.29967	0.9
235.08121	1.0
241.10876	1.3
253.09283	6.6
443.11172	0.8
474.89099	1.0
485.15930	0.9
651.30365	1.5
669.31372	1.3
683.36902	1.0
687.32263	50.9
688.32501	10.2
719.34912	64.5
720.35437	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	719.3492
Annotation	Unknow
Peak:m/z	Relative Intensity
53.23030	0.5
55.01868	0.7
57.03448	1.2
59.01374	6.7
61.98820	1.3
67.01907	0.5
69.03451	3.6
69.60777	0.5
71.01384	5.6
71.05019	2.6
71.38058	0.9
73.02928	1.3
81.03446	1.4
83.01366	0.9
83.05022	4.8
84.02184	0.7
85.02943	1.8
87.00870	0.9
89.02426	3.3
95.05026	0.7
96.96034	0.8
97.02959	0.8
97.06597	1.1
100.67206	0.6
101.02428	5.7
101.03019	0.8
101.26452	0.5
113.02454	1.7
123.08151	1.3
125.09725	2.7
130.38509	0.6
135.08159	0.7
151.11288	3.3
153.12825	2.1
161.04568	1.3
161.09702	4.3
163.11310	3.3
165.12880	2.2
167.98665	0.6
179.10739	8.1
191.10796	1.1
197.11816	83.5
198.12154	4.8
209.11813	53.3
210.12105	3.2
223.09726	1.6
227.12843	2.6
235.08195	0.9
241.10829	5.0
253.09200	3.3
459.18417	0.9
477.19571	2.3
687.32263	100.0
688.32629	23.2
719.34888	31.7
719.47736	1.4
720.35217	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	719.2009
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	6.2
69.68607	8.2
71.01377	6.5
75.60703	1.6
77.17213	1.6
89.02453	9.6
95.28577	1.5
98.19837	1.5
101.02432	2.0
107.74973	1.4
113.02431	3.4
119.03461	5.1
137.49223	1.5
147.02989	2.2
168.62213	1.5
175.24936	1.5
179.05544	2.8
191.05630	2.9
195.52582	1.4
209.83403	1.4
215.03294	6.1
240.97543	1.6
341.10843	22.5
377.08508	100.0
378.09021	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	719.2708
Annotation	Unknow
Peak:m/z	Relative Intensity
54.13705	0.4
57.03439	0.7
59.01368	2.7
69.40391	3.5
71.01386	3.0
73.02954	0.8
77.20303	0.5
85.02947	1.5
89.02436	1.7
92.76345	0.5
93.03457	1.0
96.96026	1.7
98.19869	0.8
101.02438	2.0
101.81282	0.6
107.05021	2.1
109.02948	1.2
109.11821	0.5
113.02392	1.0
117.03465	1.5
120.01233	0.6
125.02493	0.6
132.02139	0.8
133.02943	15.3
134.03743	7.1
135.04517	100.0
136.04866	5.2
137.02434	0.9
149.02507	0.7
161.02434	47.6
162.02791	2.7
173.04555	1.0
179.03482	64.7
180.03859	4.6
191.05574	5.2
197.61476	0.5
251.05376	0.5
252.06857	0.5
257.32980	0.5
259.90573	0.5
353.08792	1.3
383.10107	0.6
413.10724	1.1
473.13123	0.8
681.27716	6.0
682.27661	1.4
683.29095	80.7
684.29425	17.4
719.32788	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	717.3697
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	24.8
61.98825	52.9
69.03468	4.5
71.01379	100.0
78.95895	4.9
81.03455	6.2
83.05010	6.7
85.02956	4.9
89.02459	9.0
95.80275	3.5
96.95997	12.4
97.02941	9.6
99.00883	7.6
101.02445	10.9
109.06575	27.3
113.02418	4.9
125.09713	9.5
141.94618	3.4
163.11263	16.4
167.10759	4.6
171.10272	21.7
179.03343	4.4
179.14377	3.8
181.12325	14.8
185.11897	4.3
191.05576	12.5
195.13924	7.8
199.13417	7.3
201.11313	12.2
205.12312	9.1
206.01060	3.5
207.10219	66.0
208.10658	3.8
209.11826	31.1
210.12125	4.0
211.13361	14.2
221.11755	6.1
223.13371	84.1
224.13704	9.9
225.11298	52.9
226.11539	4.7
227.12863	7.0
228.65572	3.2
235.08205	8.0
237.07574	6.0
239.12932	13.9
243.12538	5.0
253.09305	16.0
289.17889	4.4
376.93930	4.0
395.22110	6.4
413.23022	10.3
431.24347	4.5
461.20273	10.6
517.31464	4.4
595.07770	4.0
649.32233	8.0
667.33472	13.2
668.33307	7.4
685.33765	6.7
717.36865	31.0
718.38232	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	717.4423
Annotation	Unknow
Peak:m/z	Relative Intensity
51.21023	0.6
53.99267	0.4
57.03451	0.6
59.01379	3.8
61.98814	1.2
68.92346	0.5
69.03439	0.7
71.01373	4.1
71.05003	2.2
73.02937	0.9
78.95844	0.6
83.01363	0.6
85.02946	1.3
87.00866	1.2
89.02419	1.5
96.06538	0.5
97.02956	2.6
97.06586	1.8
99.00874	10.0
101.02432	3.8
113.02448	1.7
119.03476	0.5
123.08176	1.1
125.09722	4.7
136.05122	0.6
142.02730	0.7
147.51056	0.6
161.04506	1.4
163.11279	5.9
171.10248	2.1
181.12341	9.1
183.79726	0.6
197.11761	0.6
199.13374	10.2
207.10242	15.8
208.10597	1.2
218.35263	0.6
225.11305	28.4
226.11589	1.9
229.13911	0.7
235.08215	1.5
237.04919	0.6
243.12372	6.3
253.09245	2.6
255.23270	71.0
256.23569	5.6
443.19235	1.2
461.20239	2.5
491.32367	0.9
699.43201	4.4
717.44232	100.0
718.44604	24.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	717.3621
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01395	5.7
61.82626	1.0
61.98831	2.2
71.01374	4.3
72.99254	1.1
73.02937	4.0
79.95744	2.3
83.01363	1.3
85.02913	1.9
89.02438	2.2
93.03455	3.1
95.62530	1.0
96.95999	16.0
113.02434	1.7
119.03474	1.9
123.04498	1.2
125.02388	2.0
129.56955	1.0
133.02924	3.3
134.03717	1.2
135.04514	15.9
137.02444	2.7
141.27788	1.0
149.02386	1.4
151.03935	1.5
153.01988	1.6
161.02451	8.1
165.05516	1.6
173.04498	1.5
179.03481	8.9
191.05562	9.0
192.06059	1.3
197.02179	6.8
207.05109	1.1
231.06935	6.7
231.57069	1.8
239.06659	16.8
239.56833	2.9
327.05148	1.5
365.17935	5.7
366.18332	1.9
375.26617	1.2
381.17221	1.4
383.18945	1.6
389.28384	2.7
391.30060	2.3
397.11987	1.2
399.18256	5.4
407.29166	5.0
423.28955	2.5
439.32193	3.1
447.09329	3.7
455.31824	1.2
495.25897	9.8
519.33209	100.0
520.33502	15.8
538.97754	1.1
630.27478	1.3
679.26978	1.3
681.27478	6.8
681.37292	8.9
682.26837	1.5
682.37915	2.1
717.36182	98.5
718.24237	2.0
718.36487	26.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	717.2606
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03421	0.2
59.01378	0.7
60.99303	1.1
62.44876	0.2
67.01889	2.8
69.03446	0.8
71.01379	1.6
81.03444	0.6
83.05017	0.7
85.02949	4.7
87.00871	4.3
87.01363	0.4
93.03452	20.4
93.21971	0.2
94.03796	1.0
99.00875	0.2
99.04523	0.4
102.78625	0.2
109.02950	0.6
111.04510	2.7
113.02459	0.5
115.03951	0.2
116.05051	0.2
116.81023	0.2
117.03526	0.2
119.05019	5.8
120.05400	0.2
121.17513	0.2
127.04020	1.2
129.01932	0.5
134.03659	0.2
135.04565	0.2
137.02426	0.4
140.28780	0.2
142.06610	0.7
143.03403	0.3
145.02951	1.3
155.03482	0.8
158.06094	0.7
163.03995	7.0
164.04369	0.2
173.04529	12.0
174.04810	0.5
174.60362	0.2
186.05659	0.3
191.05595	100.0
192.05920	3.5
198.78487	0.2
204.06618	1.6
210.02278	0.3
222.02335	0.4
284.02332	3.6
285.02597	0.2
312.70679	0.2
337.09262	35.2
338.05783	0.3
338.09589	3.5
367.10254	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	717.241
Annotation	Unknow
Peak:m/z	Relative Intensity
58.46347	0.9
59.01376	54.7
60.01700	0.8
61.98825	100.0
63.56952	1.3
71.01353	1.0
71.18027	0.8
78.66865	0.9
78.95886	1.1
96.96029	1.1
175.61807	0.9
185.18263	0.9
209.11781	1.2
255.23360	1.2
277.21701	2.3
278.21854	1.3
279.03256	1.2
438.09460	1.0
459.16486	1.2
481.11011	2.6
496.13678	9.3
497.14560	5.3
498.15421	1.9
510.15451	1.6
511.16147	5.1
512.16626	1.7
513.17804	1.6
537.14001	1.0
544.15778	3.3
545.16602	1.3
553.17297	1.2
567.19183	5.6
568.18964	2.0
571.18292	7.7
572.18646	1.5
589.19330	1.4
598.20251	1.5
599.21381	21.5
600.21826	6.9
602.16156	1.8
630.20471	1.5
631.19934	1.4
657.22003	11.0
658.22308	1.9
662.42694	1.2
717.24036	55.8
718.24377	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	716.3708
Annotation	Unknow
Peak:m/z	Relative Intensity
52.21901	0.1
59.01373	0.4
60.00730	0.1
61.98825	100.0
62.98528	0.1
70.62363	0.1
71.01378	0.3
89.02448	0.2
96.96017	0.5
98.19911	0.1
101.02441	0.3
113.02451	0.2
115.92102	0.1
119.03548	0.1
125.02397	0.1
255.23358	0.4
256.23746	0.3
257.23904	0.2
397.13464	0.1
398.13824	0.4
399.13980	0.6
400.14355	0.3
417.15088	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	716.3708
Annotation	Unknow
Peak:m/z	Relative Intensity
52.49492	0.1
59.01369	0.6
60.25964	0.1
61.98827	100.0
62.98529	0.2
69.45525	0.8
71.01394	0.3
78.95908	0.4
79.95736	0.1
89.02430	0.2
96.77345	0.1
96.96006	2.7
96.96981	0.5
98.19933	0.2
98.95619	0.1
101.02454	0.2
114.62630	0.1
149.03831	0.1
184.60017	0.1
186.85309	0.1
191.05717	0.1
255.23346	0.5
256.23633	0.4
256.52881	0.1
257.23947	0.1
267.47705	0.1
269.86331	0.1
397.13672	0.3
398.13824	0.3
399.13940	0.6
400.14334	0.5
416.15390	0.1
417.15469	0.2
599.23083	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	715.4268
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01856	0.9
56.67923	0.6
57.03426	0.6
58.31588	0.7
58.75083	0.7
59.01130	0.6
59.01374	6.5
60.69601	0.7
61.98816	2.1
69.03453	4.6
70.03239	3.5
71.01379	6.0
71.04996	1.8
72.99278	0.6
73.02928	0.8
79.44566	0.8
81.03442	0.9
83.01389	0.9
85.02951	0.7
89.02435	2.3
97.06580	0.9
100.22379	0.8
101.02416	2.7
110.03821	0.6
111.04485	0.9
113.02439	1.3
119.57710	0.7
125.09729	0.8
151.11229	2.2
151.41461	0.7
153.12834	1.1
161.04504	1.1
161.09712	2.0
171.10280	0.9
179.10794	5.1
180.11104	0.8
197.11813	82.6
198.12164	5.7
201.74858	0.7
223.09744	2.3
235.08102	0.8
241.10832	3.5
253.09177	2.9
255.23262	42.8
256.23569	3.2
376.78525	0.6
425.46204	0.7
477.19742	1.4
631.99487	0.8
697.41559	1.7
715.42627	100.0
716.43005	24.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	715.3674
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	18.4
61.98825	43.0
63.84819	2.6
69.52379	5.8
69.52789	16.6
71.01379	15.5
84.82229	2.4
85.02955	5.0
87.00880	3.4
89.02423	13.6
97.02921	3.6
98.20597	5.7
101.01805	3.1
101.02406	17.9
113.02467	7.2
119.03461	4.2
125.02412	3.7
129.35530	3.0
161.04552	4.7
171.10263	8.3
179.05692	3.9
191.05585	3.5
209.11787	3.0
210.55859	2.8
225.11403	2.9
235.08156	7.8
253.21706	12.1
255.23402	3.1
279.25253	3.3
281.24835	50.7
282.25085	4.3
305.08768	3.8
315.45691	2.8
328.07617	2.7
383.24603	3.5
397.13467	100.0
398.13834	9.4
408.26614	2.9
415.14606	28.2
561.86749	2.9
679.38995	14.4
715.36597	81.5
716.37030	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	715.4269
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	0.5
56.78126	0.3
57.03439	0.9
59.01376	4.1
60.17741	0.3
61.98816	0.7
67.01893	0.5
68.99564	1.8
69.03452	3.7
69.57048	2.0
71.01384	4.9
71.05020	0.9
72.99342	0.4
73.02950	0.9
83.01392	0.5
83.05048	0.7
85.02956	1.3
87.00885	1.1
89.02438	2.3
90.03111	0.4
95.01366	0.5
97.02937	0.6
97.06591	0.8
99.00877	0.6
101.02441	3.0
110.72339	0.3
111.04541	0.5
112.98577	1.6
113.02477	2.0
119.03519	0.7
123.08159	0.9
125.09714	2.1
131.04723	0.4
133.05067	0.4
140.73065	0.4
151.11263	2.7
153.12915	1.0
161.04581	1.0
161.09700	3.4
176.47693	0.3
179.10764	7.2
197.11816	36.2
198.12170	2.5
209.11816	1.1
223.09755	1.3
227.12888	0.4
235.08282	0.8
241.10759	2.0
253.09268	2.6
255.23274	77.5
256.23621	6.7
269.24625	0.5
299.36682	0.4
322.22861	0.4
459.18567	0.8
477.19647	1.0
544.76752	0.4
697.40997	0.7
715.42676	100.0
716.43005	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	715.3547
Annotation	Unknow
Peak:m/z	Relative Intensity
51.81525	1.2
52.32588	1.3
55.01867	2.4
57.03437	4.5
58.00601	1.8
59.01378	99.2
61.98824	21.4
65.07351	1.1
69.25145	3.1
69.25570	8.8
71.01379	54.8
72.99311	3.9
73.02953	12.7
76.46455	1.2
79.95749	1.9
83.01385	7.7
83.01804	1.1
85.02952	23.8
87.00864	5.6
89.02439	22.7
93.03445	2.2
95.01404	5.9
96.96005	33.3
97.02945	2.4
98.95608	1.8
99.00858	6.4
101.02439	29.8
109.02981	2.0
109.06605	1.2
109.10954	1.3
111.00875	3.5
113.02433	25.5
114.02800	1.3
119.03486	8.2
121.02958	2.6
124.01640	3.8
125.02445	5.2
129.01950	2.9
135.04518	1.7
137.02435	1.8
140.48558	1.2
143.03477	5.3
159.02927	2.1
161.02385	1.7
161.04524	5.4
171.10277	11.5
179.05652	2.0
187.29189	1.1
191.05576	5.1
197.11789	1.9
209.11826	3.4
211.13452	1.6
289.07153	1.5
289.17807	1.2
325.20053	1.8
449.29056	1.6
467.30209	7.0
611.34302	100.0
612.34613	19.9
629.35388	76.2
630.35748	17.0
671.36273	14.8
672.36578	5.3
715.28180	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	715.3519
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98811	1.1
69.08879	0.3
70.24223	0.3
71.62220	0.5
73.59340	0.3
78.95899	3.5
79.95730	3.5
86.86626	0.3
96.96003	100.0
96.96886	4.0
97.95979	0.4
119.05030	2.2
124.34933	0.2
126.45837	0.3
132.03458	0.3
163.03992	0.7
172.73271	0.3
173.29454	0.3
181.76765	0.3
251.20062	0.3
256.76718	0.3
399.45367	0.3
617.38892	0.4
618.37598	0.3
655.34125	0.9
656.34467	0.3
680.65820	0.3
715.34882	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	715.2371
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	6.1
61.98826	1.7
63.01658	0.6
64.06355	0.7
71.01368	3.6
72.99321	0.7
73.02944	2.1
85.02958	2.5
87.00867	1.1
89.02436	6.3
93.03453	1.3
96.95993	3.9
99.00867	5.6
101.02447	3.0
107.05067	1.4
109.02930	1.1
113.02446	1.2
117.03456	1.1
120.01228	0.9
121.03017	0.6
125.02434	1.2
132.02217	1.0
133.02960	14.1
134.03758	8.6
135.04520	100.0
136.04836	3.1
137.02437	1.0
149.02405	0.7
149.06030	0.8
150.03203	1.4
151.03917	1.1
161.02431	46.2
162.02792	2.8
165.05563	1.3
173.04584	1.9
177.01990	0.9
179.03482	66.8
180.03822	4.4
191.05571	9.2
193.05055	2.9
194.05487	0.8
207.06627	0.7
229.13866	0.7
251.05602	8.2
280.73550	0.7
311.07706	6.9
339.12207	0.9
353.08713	17.7
354.09164	1.9
383.09839	11.8
384.10199	1.1
386.63556	0.7
400.60837	0.7
413.10867	20.5
414.11230	1.6
473.12964	10.8
505.18872	1.3
679.25995	70.0
680.26318	14.5
700.44916	0.9
715.16620	1.3
715.33014	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	715.2375
Annotation	Unknow
Peak:m/z	Relative Intensity
50.40048	0.4
52.22752	0.4
54.15674	0.4
54.61887	0.4
59.01375	5.7
61.98830	1.3
64.66709	0.4
64.75755	0.4
71.01379	4.3
71.62539	0.8
73.02929	2.0
79.17123	0.4
81.03439	0.4
85.02954	1.8
89.02441	5.8
89.03962	0.5
93.03459	1.8
96.96020	3.4
99.00877	4.5
101.02445	1.8
105.03477	0.4
107.05044	2.2
109.02981	1.4
113.02453	1.0
117.03465	1.6
119.03499	0.7
120.01262	0.9
121.02958	1.0
123.04504	0.7
123.81441	0.4
125.02435	1.1
131.03523	0.6
132.02187	1.0
133.02957	13.3
134.03758	8.3
135.04526	100.0
136.04848	4.2
137.02438	1.6
149.02377	0.6
149.04559	0.7
149.06104	0.5
150.03180	1.0
151.04008	0.8
153.01891	0.8
156.66170	0.4
161.02438	49.2
162.02779	2.5
163.04063	0.4
165.05536	0.9
173.04564	1.3
175.04005	0.9
177.01926	0.6
177.05522	0.9
179.03490	68.7
180.03786	3.3
191.05602	9.0
191.07307	0.6
192.05945	0.8
193.05022	2.2
203.03461	0.7
205.05170	0.5
207.06616	1.2
251.05602	10.0
252.06029	0.7
293.06775	0.4
311.07697	7.3
312.07968	0.6
339.05560	0.4
353.08762	18.0
354.09012	2.5
355.08038	0.5
383.09790	9.8
384.10245	0.8
413.10828	17.7
414.11166	1.8
437.10861	0.6
473.12952	9.9
474.13049	1.1
486.99893	0.4
505.18457	0.5
517.31781	1.2
679.25989	65.5
680.26361	15.3
715.16968	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	713.4734
Annotation	Unknow
Peak:m/z	Relative Intensity
57.83907	0.2
59.26228	0.2
62.42744	0.2
69.42159	0.2
83.05013	0.4
102.14368	0.3
137.02373	0.3
157.13171	0.2
191.05562	0.5
193.05086	0.4
204.89383	0.3
211.27074	0.3
225.16014	0.5
353.08853	0.3
451.32416	0.3
634.10016	0.3
677.49713	2.1
678.50177	0.7
713.47302	100.0
714.47589	26.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	715.2101
Annotation	Unknow
Peak:m/z	Relative Intensity
54.66838	0.1
57.03460	0.2
59.01362	0.9
67.01878	0.4
69.03434	0.2
71.01369	0.7
73.02936	0.2
74.02470	0.1
78.57386	0.1
81.03439	0.3
83.05013	0.3
85.02948	6.6
87.00875	1.3
93.03453	3.5
94.03799	0.1
96.95971	0.3
98.19824	0.3
99.00871	0.1
99.04507	0.4
109.02940	0.9
111.04517	1.5
121.02969	0.1
125.02445	0.2
127.04020	1.6
131.96115	0.1
134.03778	0.2
135.04526	0.3
135.67795	0.1
137.02461	0.3
149.06012	0.2
155.03462	0.9
161.06155	0.2
171.02997	0.6
173.04535	3.8
174.04852	0.2
177.04124	0.2
187.04097	0.1
191.05600	100.0
192.05936	4.0
199.04227	0.4
207.08846	1.7
208.09265	0.2
224.05472	0.5
242.05829	0.2
243.06609	0.3
269.04675	0.3
271.09763	0.2
355.08221	0.8
425.13196	2.3
426.13428	0.3
433.18964	0.2
634.71271	0.1
715.16760	3.2
716.17206	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	713.4113
Annotation	Unknow
Peak:m/z	Relative Intensity
51.51295	0.5
55.01875	0.8
57.03416	0.7
59.01378	4.0
59.36501	0.5
61.98825	3.7
69.03452	3.9
71.01374	4.1
71.05009	1.2
78.95904	0.7
81.17033	0.5
83.90858	0.6
85.02920	0.7
87.00860	0.9
89.02444	2.6
89.17215	0.6
90.81455	0.6
94.23687	0.5
101.02422	3.3
113.02425	1.3
123.08152	1.1
125.09703	1.4
139.44174	0.6
143.03531	0.5
149.09729	0.6
151.11247	2.4
153.12825	0.8
157.08682	6.0
161.04599	0.6
161.09692	3.8
164.28296	0.6
179.10753	7.0
197.11812	36.6
198.12135	1.6
223.09647	0.8
235.08218	0.9
241.10716	1.7
242.07109	0.5
253.09244	3.0
253.21703	67.6
254.22002	5.6
277.21680	2.9
278.22250	0.5
415.02167	0.6
459.18726	1.0
477.19745	1.1
551.35968	0.7
555.28284	0.6
593.22925	0.8
629.45319	0.6
713.41113	100.0
714.41431	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	713.3958
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	1.0
57.03445	0.8
58.00584	1.7
59.01374	34.2
60.01703	0.5
61.98825	2.6
64.39241	0.4
69.03455	1.6
70.97598	0.3
71.01378	25.0
71.66586	0.4
72.99310	1.7
73.02943	4.4
75.00872	0.5
81.03456	1.1
83.01382	3.3
85.02942	5.0
87.00877	5.8
87.02323	0.4
89.02438	23.0
90.02702	0.4
93.03465	0.4
95.01376	1.5
97.02944	4.4
99.00872	1.4
101.02437	19.9
109.02952	0.5
111.04499	0.9
113.02443	9.7
115.03986	0.9
119.03484	6.2
121.02902	0.4
125.02429	8.9
127.03971	0.4
131.03493	0.6
133.05070	0.8
139.03954	1.1
143.03484	3.8
149.04520	1.0
161.04567	4.4
167.03432	0.7
169.05070	0.8
179.05611	4.6
185.04597	0.5
190.14397	0.5
203.44579	0.4
221.06519	1.7
235.08208	9.7
236.08403	0.4
253.09203	2.2
255.23273	69.7
256.23639	6.7
256.36935	0.4
263.07654	0.7
269.24805	0.4
286.27151	0.4
287.07727	3.2
305.08792	4.2
323.09686	1.4
379.12488	0.8
397.13464	100.0
398.08911	0.7
398.13797	8.3
415.14526	27.7
416.14850	2.1
575.18628	0.4
607.32300	0.4
653.37280	5.7
654.37238	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	713.3514
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	20.5
61.98830	23.2
66.36356	3.1
71.01377	18.7
71.62544	3.7
75.35500	3.3
77.06053	3.3
85.02954	3.9
88.98830	4.4
89.02438	20.1
96.95981	5.1
99.81474	3.3
101.02438	12.4
112.98484	3.5
113.02419	5.2
119.03513	3.8
125.02409	5.6
161.04514	5.3
163.03958	4.0
179.05559	3.6
191.05594	4.7
223.72318	3.0
235.08208	7.0
279.23282	50.3
280.23611	5.8
326.33978	3.6
337.30328	3.3
394.79556	3.3
397.13486	100.0
398.13931	10.1
415.14542	28.3
677.37256	11.5
678.38452	3.9
713.35150	73.3
714.35779	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	713.3515
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01365	13.8
61.98825	100.0
69.58804	3.7
69.93507	4.0
69.93845	20.9
71.01370	16.1
73.02924	4.0
78.88200	3.9
78.95863	4.5
89.02425	13.0
96.95956	4.6
98.20619	4.6
101.02448	10.2
113.02425	7.6
114.33482	4.0
116.92834	5.3
116.97217	6.8
119.03479	5.7
125.02424	5.8
132.57690	4.7
137.02359	4.5
158.61256	4.3
191.05597	7.1
204.50696	3.4
209.11964	4.7
223.13383	5.4
235.08205	4.6
279.23212	49.4
280.23575	5.6
397.13443	91.1
398.13379	9.9
411.13284	4.7
415.14523	33.2
677.37323	13.9
699.83368	5.0
713.35406	64.2
714.35358	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	713.2198
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03424	0.3
59.01378	11.0
60.01726	0.8
60.59869	0.4
61.01810	0.6
65.99843	3.0
67.01876	0.5
69.34610	2.6
69.35022	0.5
71.01368	1.3
73.02944	0.7
74.28041	0.3
85.02951	5.8
87.00864	1.8
93.03454	3.3
96.96009	1.5
99.04460	0.5
101.02412	1.0
103.06559	0.4
109.02953	1.0
111.04541	0.8
113.02462	0.6
116.05064	0.6
117.98647	0.4
120.59850	0.4
125.02425	0.6
127.04013	1.9
131.03735	1.0
133.02936	1.0
134.03786	0.5
135.04497	2.1
137.02455	0.6
144.04510	0.6
149.06084	0.5
150.03180	0.8
151.04041	0.3
153.01880	0.4
159.03271	0.5
160.04030	7.9
161.02431	2.4
161.04565	0.6
164.66489	0.4
165.05518	0.7
171.03018	0.4
173.04520	2.7
175.02734	2.8
175.04048	0.5
176.07135	0.5
179.03481	2.1
187.02733	23.8
188.03374	2.6
189.04262	0.5
190.01312	0.4
191.05600	100.0
192.05942	4.3
193.05026	0.6
207.05225	0.4
210.05368	0.3
217.01527	0.4
218.00865	0.5
219.01726	11.6
219.05171	3.5
220.02113	0.8
220.06004	0.5
224.69269	0.4
251.04320	4.1
269.10345	0.6
297.08813	5.0
297.12070	0.8
298.09036	0.5
302.73126	0.3
309.08792	22.9
310.09204	2.1
311.11243	0.5
327.09833	54.6
328.10159	6.0
329.11380	1.9
341.11392	6.6
342.11694	0.9
353.08743	15.7
353.43494	0.4
354.09174	1.6
359.12445	22.4
360.12750	2.5
384.94562	0.4
713.21600	1.9
714.23889	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	713.2194
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	0.8
63.15282	0.3
65.77347	0.3
65.99837	3.6
69.58148	0.6
69.58556	2.0
71.01349	0.4
81.92300	0.3
83.05066	0.3
85.02947	5.9
87.00880	1.5
93.03452	2.7
96.96004	1.2
98.20602	0.4
103.04252	0.3
107.01400	0.3
109.02937	0.5
111.04498	0.9
116.05081	0.6
127.04013	1.8
131.03760	1.0
133.02930	1.1
135.04514	2.7
137.02472	0.4
144.04550	0.5
151.03969	0.4
159.03226	0.5
160.04024	8.0
161.02420	3.3
161.04431	0.5
162.02687	0.3
166.17053	0.3
171.03044	0.4
173.04486	2.0
175.02742	2.3
176.07123	0.9
179.03416	1.6
187.02727	28.4
188.03427	2.6
190.01369	0.6
191.05594	100.0
192.05939	4.4
207.05215	0.5
218.00902	0.6
219.01718	12.6
219.05215	4.8
220.02113	0.9
220.05927	0.9
251.04279	4.4
252.04759	0.5
297.08844	6.0
297.12134	0.6
298.09195	0.4
309.08780	26.3
310.09143	2.7
327.09824	66.2
328.10162	6.2
329.11328	2.0
341.11368	9.1
342.11584	0.9
353.08746	20.0
354.09033	2.0
359.12454	26.7
360.12747	2.7
402.35361	0.3
652.97852	0.4
713.22217	3.4
714.23431	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	713.2083
Annotation	Unknow
Peak:m/z	Relative Intensity
50.43913	0.5
52.23906	0.5
57.03434	0.9
59.01385	5.0
61.98828	24.0
69.03434	0.6
69.41803	1.9
69.42230	1.7
71.01382	4.3
72.99305	0.6
73.02951	1.2
74.68709	0.5
79.95748	1.0
80.96503	0.8
81.03457	0.5
83.01408	0.7
85.02956	2.3
87.00858	1.4
88.98766	0.5
89.02448	1.5
93.03451	14.5
94.03803	0.4
95.01362	0.5
96.96004	16.2
97.02930	1.2
98.20666	0.9
99.00919	0.5
101.02444	3.2
102.05583	0.5
105.03481	1.4
106.91353	0.5
107.05018	0.9
108.02180	0.5
109.02948	1.8
113.02442	1.8
117.03432	1.1
119.03447	0.6
121.02949	9.4
123.04507	1.2
125.02452	5.1
128.03493	0.4
132.02119	2.8
133.02950	36.9
134.03831	2.8
135.04517	21.9
136.04883	1.2
137.02437	10.4
138.01915	0.6
141.01967	0.6
147.04486	0.7
149.02438	0.8
149.06116	2.2
150.03247	0.8
151.04008	2.3
159.04486	1.4
160.01662	0.9
161.02434	100.0
162.02773	4.4
163.03996	0.8
165.01909	0.9
168.14235	0.4
171.10310	0.7
173.04578	1.0
175.04033	2.6
177.02002	2.4
177.05551	6.2
178.02701	2.4
179.03485	20.7
180.03838	1.5
186.71255	0.4
189.05476	0.4
190.02670	0.7
191.03851	0.7
191.05583	5.2
193.04982	1.2
197.06046	2.0
199.07617	0.7
201.01888	0.5
203.03519	2.5
209.11906	1.1
221.04518	9.0
227.07098	6.2
231.07027	0.6
245.04524	0.6
245.08112	0.6
251.05641	4.1
263.05399	0.9
273.38986	0.6
281.06662	8.9
281.09625	0.8
282.07037	0.8
289.07172	1.9
293.06625	0.9
301.14386	0.7
323.07642	6.0
341.08841	5.5
382.09076	0.7
383.09805	40.5
384.10202	3.6
407.10031	0.5
413.10977	0.7
425.10870	12.2
426.11145	1.1
449.10794	0.7
485.12979	52.3
486.13297	6.4
489.31921	0.7
490.32495	2.6
491.33041	1.1
566.53540	0.5
605.15131	7.6
605.23987	0.9
606.15698	1.4
713.20520	5.5
713.31506	0.9
714.21277	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	712.3391
Annotation	Unknow
Peak:m/z	Relative Intensity
53.10429	0.2
59.01378	1.4
61.98828	100.0
62.27856	0.2
62.98523	0.2
63.93861	0.2
65.82816	0.1
71.01385	0.6
71.05919	0.1
71.61850	0.2
85.02983	0.4
88.98808	0.2
89.02442	0.4
93.03486	0.6
96.96001	1.3
101.02417	0.4
113.02474	0.3
125.02444	0.4
135.04524	0.5
137.02379	0.3
137.65141	0.2
143.84479	0.2
147.04523	0.2
149.78975	0.2
171.10287	0.5
173.04622	0.3
179.03531	0.2
191.05574	1.3
192.06007	0.2
197.11972	0.2
201.45015	0.2
209.11824	0.6
289.07034	0.2
351.21960	0.2
433.32532	0.2
469.67914	0.2
503.30145	0.2
576.77362	0.2
608.37219	0.2
626.39288	0.3
668.38098	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	711.3808
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	1.2
57.03440	1.1
58.00584	1.6
59.01376	37.2
61.98824	8.7
70.81908	3.4
71.01377	26.6
71.41214	0.9
73.02950	4.1
78.95879	1.1
83.01392	3.8
85.02953	4.7
85.22127	1.1
87.00873	6.3
89.02438	26.2
89.02993	1.5
95.01376	1.3
96.96001	2.3
97.02961	4.0
99.00871	1.6
101.02431	24.4
113.02435	10.2
113.22379	1.3
119.03487	7.0
125.02456	11.4
130.39421	1.1
137.02386	1.5
143.03511	3.8
149.04527	1.0
151.03923	1.7
161.04538	4.2
163.74791	1.0
179.05615	5.0
209.11790	21.5
221.06636	1.1
223.13371	19.5
224.13663	2.1
235.08200	5.1
253.09248	3.0
253.21704	20.0
255.23297	1.5
289.07230	2.0
332.70959	1.1
352.50934	1.1
397.08240	2.4
397.13452	45.2
398.14124	5.5
415.14539	100.0
416.14874	10.0
459.22253	2.6
460.22150	1.1
651.35028	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	711.3821
Annotation	Unknow
Peak:m/z	Relative Intensity
54.25748	1.5
55.01869	4.1
55.09581	1.6
57.03442	4.0
59.01375	84.9
61.98827	75.3
61.99155	3.5
67.01899	1.9
69.03440	2.4
71.01378	51.8
72.99297	4.7
73.02943	17.1
79.95748	1.9
81.03455	2.2
83.01392	8.1
85.02943	30.4
86.00114	1.7
87.00887	9.1
88.98791	6.2
89.02438	16.7
93.03452	3.7
95.01373	4.3
96.96001	25.0
97.02946	3.6
98.95579	1.9
99.00887	6.5
101.02438	34.4
101.06081	9.7
103.03968	1.9
108.02171	4.8
109.02961	3.6
111.00866	5.8
113.02451	25.1
115.04008	2.9
119.03487	6.0
119.05009	1.9
121.02968	13.5
122.03304	2.5
123.04510	3.6
124.01624	2.5
125.02443	11.8
127.04031	2.2
131.03450	2.5
133.02943	3.5
134.03709	2.5
135.04520	17.7
137.02415	3.9
139.04106	1.6
143.03477	6.3
147.04486	12.4
148.04915	2.1
149.02428	49.0
150.02771	14.5
151.02888	4.7
151.04024	3.4
152.01138	10.1
159.02982	2.0
161.02440	17.1
161.04529	6.0
163.04050	3.5
163.06180	2.6
164.04781	40.1
165.05118	17.4
166.05319	3.7
167.03488	4.7
171.10226	1.9
173.04509	6.8
179.03502	10.9
179.07112	3.8
180.07426	2.1
180.28555	1.4
190.02687	7.1
191.03122	2.5
191.03833	2.0
191.05585	23.1
192.05957	1.8
205.05054	5.5
205.06963	3.2
207.06708	3.2
223.06091	63.9
224.06450	34.0
225.06671	23.2
289.07028	3.1
386.28552	1.7
445.31470	2.5
463.32623	6.0
521.29523	2.0
552.65259	1.9
607.36957	100.0
608.37244	17.7
609.29004	2.7
625.37976	68.5
626.38245	8.0
651.38818	4.1
667.39178	26.9
668.40198	3.8
669.40179	3.7
711.35614	45.6
712.37091	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	711.3367
Annotation	Unknow
Peak:m/z	Relative Intensity
57.91750	7.1
58.75920	7.8
59.01381	56.5
61.98828	100.0
66.79949	7.5
71.01390	19.8
71.61885	9.9
88.98820	8.0
93.03416	14.0
96.95995	34.2
109.02978	16.3
113.02458	9.6
121.32992	7.1
122.03717	7.5
125.02431	9.7
135.04503	10.5
137.02454	11.9
151.04018	11.3
161.02396	7.4
169.35869	7.3
171.10161	14.0
173.04529	13.8
189.02005	10.1
191.05609	43.1
197.11810	56.0
209.11842	47.0
210.12119	9.3
211.13423	7.8
227.12831	12.7
329.37021	9.1
433.20844	11.7
625.32672	11.6
711.32410	36.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	711.3816
Annotation	Unknow
Peak:m/z	Relative Intensity
52.50969	1.1
55.01867	3.5
57.03439	4.9
58.00587	1.5
59.01377	84.4
60.01724	1.5
61.98828	46.0
62.46828	1.1
64.19003	1.1
69.03463	2.4
69.42973	9.4
71.01382	50.3
72.99301	2.7
73.02941	13.8
75.00845	1.3
75.21056	1.1
79.54810	1.1
81.86612	1.1
83.01374	9.0
85.02946	27.8
86.00111	3.3
87.00863	5.9
87.04517	1.1
88.98796	2.5
89.02449	12.6
93.03456	3.0
95.01371	6.7
96.96016	13.1
97.02930	2.5
98.19926	2.3
99.00852	5.7
101.02441	28.4
101.06062	5.6
107.08318	1.2
108.02174	4.3
109.02936	2.6
111.00868	5.7
112.01673	1.5
113.02443	25.3
119.03506	4.0
119.04993	2.4
121.02962	9.0
122.03298	1.7
123.00903	1.2
123.03628	1.3
123.04504	4.0
124.01653	2.8
125.02451	7.9
129.01974	1.4
133.02957	3.1
134.03711	1.6
135.04536	5.4
137.02417	2.0
141.01921	1.8
141.30029	1.1
143.03503	3.8
147.04533	5.7
149.02435	32.8
150.02777	13.4
151.02914	3.7
152.01152	5.1
159.02983	3.5
161.02464	7.0
161.04555	5.7
163.03992	3.0
164.04803	30.4
165.05138	13.2
165.27599	1.1
166.05328	5.0
167.03499	4.9
171.10397	1.2
173.04491	2.4
175.00349	2.4
179.03529	1.4
179.07140	3.2
180.07465	2.0
190.02696	3.4
191.03043	2.5
191.05592	10.8
205.05016	3.8
205.06795	1.2
206.05341	1.8
207.06639	2.0
223.06090	44.9
224.06435	24.3
225.06622	12.1
229.45427	1.1
289.07095	1.7
301.27493	2.3
325.99353	1.1
399.18665	1.7
445.31442	3.3
463.32703	6.8
513.06287	1.4
529.31757	1.3
580.66626	1.1
607.36932	100.0
608.37427	16.7
625.38000	71.8
626.38312	10.0
649.27985	2.0
651.39111	3.6
667.39087	35.7
668.39728	5.3
669.40405	2.8
711.34619	13.5
712.37006	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	711.3229
Annotation	Unknow
Peak:m/z	Relative Intensity
54.18888	0.3
55.01878	0.3
57.03450	1.1
58.00582	0.3
59.01376	10.5
61.98824	3.0
66.38210	0.3
67.53088	0.3
68.02240	0.3
71.01381	7.4
72.99296	0.6
73.02940	2.3
83.01387	1.3
83.05025	0.3
85.02950	4.6
85.03439	0.4
87.00892	1.1
88.98794	2.1
89.02441	2.3
89.03954	0.5
91.05518	0.6
93.03472	1.6
95.01392	0.8
96.96008	4.6
97.02957	0.4
98.20667	0.6
99.00882	1.1
101.02438	4.7
105.29962	0.3
109.02972	0.8
111.00883	0.5
113.02438	2.9
115.21878	0.3
117.03475	0.6
119.01401	0.7
119.03497	0.6
119.05026	0.9
121.02946	8.5
123.04513	0.7
125.02422	2.4
130.74225	0.3
132.02151	1.1
133.02917	0.7
134.03783	0.5
135.04515	3.1
137.02452	1.1
143.03481	0.5
147.00847	0.5
147.04510	3.4
149.02431	57.8
150.02737	2.4
150.57692	0.3
151.03941	0.7
153.01955	0.4
156.44632	0.3
161.02432	3.1
161.04546	0.9
162.02747	0.4
163.03979	1.0
164.04782	53.9
165.01891	0.5
165.05138	2.3
167.03503	0.5
172.73074	0.3
173.04524	1.1
175.00360	4.4
175.03964	0.3
177.01903	0.6
179.03534	1.5
179.05663	0.6
179.07115	6.3
180.07489	0.4
190.02701	10.4
191.03162	0.6
191.05594	3.6
191.92357	0.3
192.05905	0.5
205.05032	9.0
206.05432	0.6
207.06543	1.8
223.06093	100.0
224.06413	6.7
246.24524	0.3
289.07123	1.0
340.99973	0.3
341.75195	0.3
489.32727	0.6
507.35059	0.8
577.59979	0.4
651.39484	9.0
652.40051	1.9
669.40527	5.2
670.40802	1.0
699.23364	0.4
711.32062	15.6
711.41943	1.7
712.12183	0.5
712.32422	3.8
712.42731	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	711.2139
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	0.8
57.03441	0.7
59.01376	100.0
59.60630	0.3
60.01705	1.1
64.43114	0.2
70.36310	0.8
71.01380	9.2
72.99314	0.4
73.02946	2.9
83.01392	1.3
85.02945	4.5
87.00878	0.5
89.02429	0.5
91.18850	0.3
92.57639	0.2
95.01397	0.7
96.96004	1.7
97.02966	0.3
98.19988	0.3
99.00861	1.4
101.02438	7.5
101.03082	0.5
109.02934	0.5
111.46568	0.3
113.02441	4.4
125.02457	0.3
143.03520	0.3
151.04016	0.3
153.01915	0.4
159.03017	1.0
161.04564	4.0
169.63258	0.3
179.03526	0.3
182.06337	0.2
191.05562	1.6
193.06003	0.3
234.75734	0.3
269.10281	11.5
270.10721	0.6
311.11325	5.6
311.14728	0.3
312.11624	0.6
715.22223	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	710.3904
Annotation	Unknow
Peak:m/z	Relative Intensity
51.43726	0.3
59.01373	0.4
61.61947	0.3
61.98827	100.0
71.01393	0.5
71.61729	0.3
71.62125	0.3
73.47961	0.3
85.90410	0.3
88.05064	0.3
125.02417	1.4
137.02451	0.5
191.05652	0.4
255.23232	0.4
289.91586	0.3
504.58350	0.3
529.35205	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	711.1561
Annotation	Unknow
Peak:m/z	Relative Intensity
51.00144	1.6
52.11320	1.8
65.09693	1.5
70.89432	3.6
80.25993	1.8
85.84110	1.8
93.03468	2.6
96.96026	3.8
106.69275	1.6
125.02423	3.1
134.03677	4.5
151.00333	2.0
173.04475	2.6
191.05554	10.7
193.04994	4.7
194.05339	3.2
195.05458	1.9
214.30865	1.6
225.20348	1.7
247.06503	4.2
258.01672	27.8
259.02356	12.0
271.02399	16.8
272.03186	10.1
273.04010	12.9
282.27713	1.9
285.04004	5.8
298.01038	1.9
301.03503	74.3
302.03873	6.0
304.02219	2.1
313.03470	7.0
331.04547	48.5
332.04816	3.7
341.08902	1.9
415.17767	5.0
421.07693	100.0
422.08060	9.6
542.18170	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	710.1835
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	4.7
61.98820	1.3
65.64786	0.9
67.01884	1.6
69.42264	7.4
71.01382	4.1
73.02964	1.3
77.02740	0.8
77.74653	0.8
82.26366	0.8
83.05021	1.7
85.02943	8.2
87.00866	2.6
88.31020	0.9
89.30797	0.8
93.03453	13.3
94.03820	1.0
96.96006	6.6
98.20612	1.2
99.00877	0.8
101.02411	1.7
107.04974	1.0
108.02097	1.0
109.02978	4.4
111.04505	6.6
117.03454	8.5
125.02473	1.9
126.81383	1.0
127.03999	2.5
129.03481	1.0
133.02975	5.5
133.54988	0.8
134.03792	4.3
135.04515	44.1
136.04828	2.7
137.02452	3.9
145.02939	14.4
146.03734	64.9
147.04535	20.1
151.03929	1.1
154.02573	2.2
155.03484	6.2
159.04556	1.3
161.02434	18.8
162.03064	2.8
163.04007	35.4
164.04349	1.5
169.04935	17.0
173.04535	44.2
174.03363	0.9
174.04918	2.2
175.04034	1.1
177.01883	1.2
179.03493	36.8
180.03864	2.0
184.07245	18.3
185.07542	1.3
189.01920	35.3
190.02704	70.9
191.03470	11.1
191.05585	100.0
192.04242	0.9
192.05867	4.1
234.54424	1.0
284.10535	1.2
289.07187	2.1
325.08551	0.9
335.07727	10.8
345.06027	1.3
346.06915	12.9
347.07260	1.4
351.07611	0.9
352.07828	1.5
353.08694	32.7
354.09045	1.4
363.03537	0.6
363.07166	43.1
364.07947	83.6
365.08401	12.1
367.92160	0.8
444.57452	0.9
482.12082	3.4
525.10248	15.9
526.11041	17.3
527.11432	1.6
548.14954	6.8
549.16101	1.3
710.28625	1.3
711.19141	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	709.4171
Annotation	Unknow
Peak:m/z	Relative Intensity
50.77488	0.4
55.01870	0.4
57.03436	1.2
58.00585	0.7
59.01375	5.6
61.98813	1.4
63.06721	0.4
69.03438	0.5
69.53191	2.7
71.01389	4.5
73.02932	1.2
78.95908	2.8
80.96503	0.5
81.46790	0.3
83.01406	0.5
83.05025	0.9
85.02945	1.3
87.00862	0.8
89.02436	4.2
95.05017	0.6
97.06585	2.5
98.20574	0.7
101.02435	3.4
113.02467	2.1
119.03474	0.8
125.71401	0.4
129.36110	0.4
132.80307	0.4
149.09692	0.4
151.11270	12.3
152.11649	0.5
152.99579	3.9
161.04536	1.4
169.12325	87.2
170.12677	4.6
171.10309	0.6
191.05560	0.5
195.10211	1.9
201.11334	4.0
209.11829	5.0
213.11311	9.9
214.11621	0.8
217.20978	0.4
227.12910	0.6
235.08318	0.9
237.27661	0.4
253.09196	2.7
253.21632	0.5
255.23076	0.6
277.21701	20.1
278.21957	2.2
381.13071	0.4
431.19052	2.4
449.20178	7.4
450.21014	0.6
455.16553	1.1
473.17947	3.4
645.83508	0.5
691.38635	0.8
709.41510	100.0
710.41852	26.6
738.74860	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	709.3831
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	0.7
62.29540	0.3
63.96229	1.4
69.03444	0.9
69.94646	0.6
69.95058	1.2
71.01375	7.1
72.99294	0.5
73.02937	1.3
74.73658	0.3
78.98586	5.8
79.95733	12.5
80.96509	72.3
81.03462	0.6
85.02945	3.0
87.00854	3.0
94.98077	15.1
96.96011	0.8
97.02944	1.3
99.00869	0.6
99.04501	0.4
101.02432	1.7
106.98087	3.0
113.02491	0.4
122.97577	3.1
125.02429	2.8
127.04019	1.0
134.97565	5.2
136.99100	1.1
143.22874	0.3
146.97551	0.5
148.99121	5.8
152.98610	5.4
152.99704	0.6
154.90317	0.3
161.04588	0.4
164.18185	0.3
164.98599	11.1
167.00223	0.5
171.10269	2.0
178.99965	0.4
192.05983	0.3
206.99632	3.0
225.00706	16.7
255.23265	1.3
453.14343	3.3
508.56223	0.3
537.27356	1.3
635.35107	0.4
709.38287	100.0
710.38654	21.0
710.48218	0.3
710.51599	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	709.4164
Annotation	Unknow
Peak:m/z	Relative Intensity
52.05698	0.4
54.25349	0.4
57.03434	1.8
59.01373	4.4
61.98820	1.7
63.10205	0.4
69.03447	0.6
69.95483	1.8
71.01376	4.3
73.02937	1.6
77.69519	0.4
78.95459	0.8
78.95894	7.1
80.96513	0.5
81.03448	0.9
83.01409	0.5
83.05016	2.3
85.02953	1.6
87.00857	1.8
89.02412	1.9
95.01390	0.5
95.05019	1.4
97.06570	6.0
98.19962	0.7
101.02415	3.8
113.02438	2.1
125.09720	1.1
127.11237	0.7
133.10196	0.7
145.05029	0.9
149.09660	0.5
151.11273	15.4
152.11620	0.9
152.99557	9.2
155.10751	0.6
161.04509	1.4
166.79163	0.4
169.12332	46.3
170.12692	2.5
171.00621	1.1
171.10246	0.7
185.34334	0.4
195.10240	3.9
201.11324	10.0
202.11726	0.9
209.11804	9.6
210.12112	0.7
213.11298	6.4
227.03065	0.5
227.12769	0.8
227.25591	0.5
235.08163	1.1
253.09219	2.5
253.21643	1.2
255.23282	0.7
277.21692	48.6
278.22073	5.2
363.60184	0.5
431.19275	2.0
432.19482	0.6
437.15091	0.5
449.20367	2.7
450.92917	0.4
455.16870	1.5
473.17810	7.3
474.17868	1.2
593.94696	0.5
650.64246	0.6
691.38165	1.4
709.41388	100.0
710.41699	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	709.3648
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03428	0.8
59.01376	13.3
59.54702	0.8
61.98827	7.6
71.01369	6.7
71.19707	0.8
71.61333	0.7
71.61797	0.9
72.58055	0.7
73.02948	2.0
75.00901	1.0
78.31844	0.7
79.95734	1.9
81.03460	0.8
82.97906	0.8
83.01390	0.8
83.05025	3.4
85.02949	3.4
87.00882	1.6
89.02438	3.4
93.03428	1.8
95.04984	1.3
95.95213	1.1
96.96012	19.8
101.02430	4.6
103.37652	0.9
113.02450	3.5
113.33966	0.9
119.03447	1.5
125.02406	1.8
125.09710	2.0
127.11275	1.3
133.03041	1.2
134.03767	1.5
135.04483	1.0
135.11823	1.0
137.02449	1.5
143.03499	0.8
147.04532	1.4
151.00719	0.8
161.02405	1.5
161.04527	2.3
161.09575	1.0
163.11256	3.4
165.12848	2.0
167.03465	1.2
171.10257	100.0
172.10568	5.1
173.04514	2.5
179.05605	1.3
179.10773	3.4
181.12340	1.0
187.48163	0.8
191.05609	6.7
196.72462	0.9
197.11816	1.5
207.10199	1.9
209.11813	93.1
210.12111	6.0
211.13327	1.2
225.11246	1.4
227.12880	14.9
228.12933	0.8
235.08173	3.3
253.09274	6.6
289.07327	1.2
310.05884	0.8
311.22339	4.7
311.25467	1.0
397.13431	1.4
407.19037	4.9
445.20694	3.6
487.34213	2.9
607.36224	0.9
637.32336	1.5
655.33044	1.2
709.30261	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	709.3204
Annotation	Unknow
Peak:m/z	Relative Intensity
53.73696	4.3
59.01369	41.1
60.24693	4.7
61.98822	23.4
69.11386	4.0
69.88918	24.0
71.01372	21.6
87.00906	4.6
95.55999	3.6
96.96009	8.1
100.72373	3.9
101.02451	7.3
110.06575	3.9
137.07306	4.9
145.04947	5.3
165.12698	4.7
171.10323	9.1
183.13873	61.0
187.17982	4.5
191.05577	10.3
197.11812	14.4
199.09752	31.3
199.13591	4.3
203.96648	4.5
207.10202	16.5
209.11810	35.0
211.13361	100.0
225.11311	14.0
227.12865	17.6
235.08270	9.1
241.36241	4.3
253.09251	18.3
293.21152	8.2
309.27182	4.4
346.23636	4.6
375.21783	8.2
401.23428	6.6
431.44214	4.9
447.21780	4.5
463.21658	10.8
487.34045	5.8
538.75305	4.6
546.69995	4.4
593.29431	8.2
611.30640	13.8
629.31183	5.4
637.32642	9.9
638.68781	4.9
655.33551	18.1
673.34198	14.7
709.32562	9.9
716.56000	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	709.307
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	0.3
57.03444	0.5
59.01374	5.9
61.92156	0.3
61.98827	0.7
65.00307	0.3
65.45892	0.2
71.01380	4.8
71.62216	0.4
72.99303	0.3
73.02957	1.5
76.12899	0.3
77.13423	0.3
83.01400	0.8
85.02959	2.8
87.00879	1.1
89.02435	1.6
91.05565	0.4
91.96598	0.3
93.03462	0.8
95.01404	0.5
96.96003	4.5
97.02907	0.3
99.00878	0.5
101.02445	3.1
109.02965	0.3
109.31932	0.2
111.00891	0.3
113.02453	2.2
113.18703	0.2
116.92859	0.3
117.03468	0.7
119.01421	0.4
119.03526	0.5
119.05026	0.7
121.02948	7.6
121.06680	0.2
122.03226	0.4
123.04508	0.4
125.02415	1.0
127.03069	0.3
132.02165	1.1
133.02971	0.3
134.03694	0.3
135.04552	1.9
137.02426	0.8
143.03514	0.3
147.00882	0.4
147.04503	4.1
149.02434	57.9
150.02760	2.2
152.01140	0.3
161.02415	0.7
161.04555	0.6
163.03986	0.8
164.04781	51.5
165.05116	2.0
171.10309	0.4
173.04587	0.4
175.00348	3.4
176.00757	0.3
179.03511	0.6
179.07118	4.7
185.11742	0.3
190.02705	8.6
191.03035	0.4
191.04050	0.3
191.05551	2.1
193.01315	0.4
205.05035	6.2
206.05423	0.5
207.06592	3.0
208.03787	0.9
217.01451	0.3
223.06094	100.0
224.06436	5.6
289.07266	0.6
330.70398	0.2
448.59232	0.3
485.23804	0.5
487.32867	0.6
505.33673	0.4
605.35138	0.6
623.36633	0.5
649.37897	5.2
650.37994	0.7
667.39111	2.9
668.39105	0.3
709.30511	14.0
710.30853	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	709.2346
Annotation	Unknow
Peak:m/z	Relative Intensity
54.68724	0.5
57.03447	0.7
57.85165	0.5
59.01377	6.9
61.98822	3.1
71.01381	5.0
72.99310	0.6
73.02945	0.7
81.03459	0.5
83.05024	0.7
85.02945	1.4
87.00860	0.9
89.02407	2.6
91.41845	0.5
93.03465	0.7
96.96006	16.8
97.02942	0.5
99.00892	0.9
101.02436	2.2
109.02943	1.7
111.08143	1.0
113.02447	1.9
119.03516	1.1
121.40095	0.4
122.34090	0.5
123.04486	0.6
125.02419	2.1
133.02937	0.6
134.03760	0.6
135.04532	2.0
137.02393	1.1
143.10777	5.6
147.04562	2.9
149.02454	1.4
151.00391	1.8
161.02422	2.9
161.04532	0.5
164.04855	0.7
165.01900	0.8
171.10249	7.1
173.04581	1.4
173.06033	0.6
174.03224	0.6
175.03963	0.7
179.03403	1.1
191.05592	3.9
197.11823	3.9
198.12213	1.1
199.13240	0.5
203.03355	0.8
207.06487	0.6
207.10249	1.3
209.11836	8.6
210.12189	1.3
215.03506	1.0
223.06094	0.8
225.11253	1.2
227.03548	1.9
227.12872	1.9
229.01385	0.6
229.15158	0.5
243.03099	1.1
255.02974	0.8
257.04572	0.6
258.01663	28.8
259.02411	12.0
260.02744	0.6
263.08786	0.9
271.02438	20.4
272.03226	30.4
273.03934	10.7
274.04440	0.6
283.02368	2.2
285.00677	1.1
285.03918	6.7
287.01978	5.5
288.02414	0.6
289.07291	0.9
299.01895	1.1
301.03513	86.0
302.03876	6.7
304.02267	2.3
309.20636	2.9
310.20978	2.2
311.01971	0.7
311.21747	1.0
313.03522	6.7
325.03244	0.7
329.03064	0.6
331.04553	44.5
332.05014	3.3
343.04596	1.7
385.05597	1.5
403.06674	13.3
404.07315	1.1
415.14697	0.9
463.08701	7.1
464.08545	0.7
487.33850	0.6
504.34113	1.1
547.18158	100.0
548.18469	15.6
589.19452	0.6
649.39136	0.6
677.33368	0.8
709.22754	11.2
710.23224	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	708.417
Annotation	Unknow
Peak:m/z	Relative Intensity
61.04096	0.2
61.98827	100.0
71.01397	0.2
76.11305	0.1
76.71323	0.2
77.87199	0.2
78.95899	0.5
80.96520	1.3
85.02934	0.2
94.98118	0.3
148.52736	0.2
152.99568	0.4
153.99826	0.2
188.38403	0.2
225.00681	0.3
255.23308	0.3
256.23651	0.2
555.90192	0.2
607.46436	0.2
708.37878	0.3
709.38647	2.0
725.78546	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.4011
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01854	0.2
57.03437	0.4
59.01141	0.2
59.01376	2.1
61.98818	1.2
62.38042	0.2
71.01382	1.9
71.05030	1.0
71.62453	0.3
73.02937	0.7
79.95735	0.4
81.03458	0.2
83.01376	0.2
83.05010	0.3
83.60107	0.2
85.02942	0.5
87.00854	0.2
88.92738	0.2
89.02456	0.4
93.03448	0.9
95.05034	0.2
96.96005	6.7
97.02973	0.2
98.95588	1.8
98.96396	0.2
99.00897	0.5
101.02417	1.3
109.02927	0.3
109.06625	0.3
113.02449	0.4
115.92057	0.3
116.92847	0.8
119.05012	1.3
121.02961	0.4
123.04530	0.3
125.02436	0.4
125.09708	0.3
133.03004	0.3
134.03758	0.2
135.04536	0.9
136.04872	0.2
137.02448	0.5
149.02415	1.0
151.04016	0.3
161.02415	0.8
163.04005	0.9
163.11220	0.6
164.04785	0.7
171.10269	2.6
173.04538	1.1
179.03476	0.4
181.12343	0.4
191.05580	2.7
196.16743	0.2
199.13356	0.4
201.11307	1.9
202.11572	0.2
205.05003	0.2
207.10201	1.2
209.11794	3.3
210.12134	0.3
223.06068	1.2
225.11261	1.7
227.12817	0.6
243.12416	0.4
253.09303	0.5
301.03320	0.2
353.08536	0.3
355.26364	0.2
363.26746	0.3
367.26453	0.3
377.28467	0.3
384.24030	0.2
409.30991	0.5
421.30988	1.2
423.29279	0.5
435.29120	0.4
443.31534	1.2
453.30090	3.6
454.30365	0.6
457.13657	0.7
459.34818	0.5
461.20316	0.2
471.31570	0.3
479.21085	0.3
485.32709	9.9
486.33078	1.6
503.33731	100.0
504.34070	16.9
515.13904	0.2
663.32837	0.9
669.41058	1.0
670.40912	0.4
671.42505	0.3
689.34143	1.5
690.33618	0.4
707.26788	0.4
707.37543	1.8
708.36743	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.4008
Annotation	Unknow
Peak:m/z	Relative Intensity
52.66454	0.5
55.01878	0.6
59.01376	100.0
60.01725	1.0
61.98828	8.5
71.01380	9.5
71.18834	1.1
73.02953	1.8
83.01380	1.4
83.05035	0.8
85.02936	3.5
85.87457	0.5
87.00875	1.0
88.98802	0.6
89.02460	2.1
89.51810	0.4
92.24885	0.5
93.03452	1.5
96.96022	2.9
97.02046	0.5
97.02946	0.5
99.00862	1.0
101.02441	5.0
109.02953	0.7
109.06617	0.5
113.02430	2.8
117.79811	0.5
119.03503	1.4
125.02475	0.8
129.01974	0.6
133.02965	1.1
135.04523	2.0
137.02487	0.9
143.03542	0.5
155.03461	0.7
161.02438	1.8
161.04547	1.1
163.11305	0.7
171.10301	1.2
173.04544	2.2
179.03500	1.1
187.07614	0.8
191.05615	4.2
192.05954	0.7
201.11281	0.9
207.10271	1.3
209.11836	3.2
213.72710	0.5
225.11406	1.3
227.12877	0.6
253.09314	0.9
275.09238	1.1
291.19611	4.1
292.19894	0.6
335.07849	0.6
397.13452	1.0
503.34302	0.7
603.38763	5.6
604.39435	1.2
621.39984	6.6
622.40479	1.7
663.41125	10.8
664.41895	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.4007
Annotation	Unknow
Peak:m/z	Relative Intensity
56.81362	0.2
59.01374	5.3
61.98828	0.4
63.86629	0.2
66.90581	0.2
69.03455	0.3
69.59301	0.2
70.18576	0.2
71.01380	4.1
71.05031	0.2
73.02941	1.7
75.00864	0.3
75.69158	0.2
83.01378	0.5
83.05012	0.4
85.02950	0.4
89.02447	0.3
96.95995	0.7
101.02443	3.2
109.06574	0.3
113.02441	0.6
119.03501	0.2
123.08147	0.3
125.02457	0.3
135.04526	0.4
137.02438	0.2
143.03487	0.2
161.04488	0.3
161.66530	0.2
163.11148	0.2
171.10252	2.5
171.11699	0.3
172.10579	0.2
173.13347	0.4
178.58669	0.2
179.03421	0.2
180.33682	0.2
181.12251	0.2
191.05577	0.8
191.14307	0.2
193.05211	0.3
197.11850	0.3
201.11255	1.1
203.05545	0.3
207.10229	0.8
209.11794	3.7
210.12201	0.4
225.11278	0.8
227.12857	0.5
230.49992	0.2
235.08350	0.2
253.09158	0.6
317.06378	0.2
323.23734	0.4
359.27438	0.4
361.25180	0.3
365.28314	0.9
373.29004	0.3
375.26434	0.3
375.30750	0.4
377.28510	0.5
389.28586	1.3
391.30099	4.3
392.30267	0.6
393.31570	0.7
394.32291	0.3
397.13016	0.3
403.29855	0.7
407.29559	1.6
415.14450	0.3
419.29126	0.3
421.31110	0.6
423.32913	0.4
425.30679	0.3
433.27451	1.1
433.32498	0.2
435.29025	1.7
436.29449	0.3
437.30612	0.7
438.30908	0.3
439.32071	0.6
441.33789	0.6
455.31631	0.3
457.33459	1.6
458.33710	0.3
461.20569	0.2
467.31607	0.8
473.32605	2.9
474.32797	0.3
483.31467	0.3
485.32764	0.9
503.33737	100.0
504.34109	17.4
517.35107	0.6
545.34833	1.3
587.36328	0.2
640.23810	0.2
689.33948	0.3
707.34747	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.4009
Annotation	Unknow
Peak:m/z	Relative Intensity
52.84986	0.2
54.15711	0.1
57.03432	0.2
59.01105	0.2
59.01380	2.6
59.64537	0.2
61.98827	0.3
66.08370	0.1
68.83666	0.1
71.01382	2.4
71.05006	0.5
73.02934	0.5
83.01393	0.3
83.05025	0.5
85.02932	0.4
89.02459	0.4
96.95987	0.3
101.02435	1.1
109.06532	0.2
113.02429	0.6
119.03514	0.2
125.02437	0.3
125.09657	0.2
131.03477	0.2
135.04495	0.3
139.11259	0.2
143.03490	0.2
151.36246	0.2
163.11255	0.4
167.10744	0.2
171.10287	1.2
173.04399	0.2
179.10825	0.3
185.11816	3.6
186.12082	0.2
189.12724	0.2
191.05573	0.6
199.13364	0.2
201.11305	0.7
202.87869	0.2
207.10223	0.6
209.11813	4.6
210.12152	0.4
213.38899	0.2
225.11235	0.5
227.12860	0.6
235.08110	0.2
253.09262	0.5
309.20721	0.4
375.53418	0.2
391.30023	0.4
409.31030	0.2
410.00052	0.2
419.29642	0.3
433.27399	0.3
435.29065	1.7
436.29141	0.3
437.30392	0.6
443.31467	0.7
459.34634	0.2
471.31039	0.2
485.32733	8.2
486.33069	1.4
503.33725	100.0
504.34076	16.7
504.41876	0.3
511.65384	0.2
545.34625	0.7
675.32281	4.3
676.32526	1.1
689.33435	0.3
707.35083	1.6
708.34674	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.3489
Annotation	Unknow
Peak:m/z	Relative Intensity
52.12492	4.6
57.03419	4.2
59.01384	64.9
61.98830	71.3
70.93775	7.1
70.94098	6.9
71.01376	85.9
73.02949	7.8
80.60560	4.3
81.03461	6.7
83.05016	6.9
85.02957	15.2
87.00872	12.4
89.02436	18.7
93.03454	10.8
96.96002	15.1
97.02945	8.3
97.06577	12.3
98.19914	4.1
99.53790	5.5
101.02438	26.2
109.06589	22.3
113.02432	15.3
119.03551	7.7
123.04496	6.1
125.02428	13.4
125.09682	6.4
135.04518	13.4
151.11253	26.3
161.02431	10.6
161.04510	5.0
163.11234	9.0
169.12314	100.0
170.12729	5.5
171.10268	35.2
173.04488	16.8
179.03448	5.7
181.12386	10.1
191.05536	40.9
195.10138	4.8
197.11716	4.8
199.09796	4.6
201.11339	22.8
207.10219	47.9
208.10594	6.1
209.11812	53.3
213.11296	25.4
225.11276	36.8
227.12845	8.2
235.08101	7.1
243.12389	9.1
253.09265	18.4
288.60123	4.4
289.07217	6.0
291.19653	26.6
309.20663	15.8
353.08554	5.5
377.23303	6.7
397.13342	7.9
399.60794	4.6
415.14124	6.7
449.20038	18.4
461.20361	5.8
479.21280	5.2
596.95056	4.2
603.29834	6.9
639.31183	8.4
657.31250	50.3
658.31543	10.5
675.32153	12.6
707.34888	7.9
738.26831	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	707.3489
Annotation	Unknow
Peak:m/z	Relative Intensity
56.80452	1.1
57.03439	3.2
57.80029	1.3
59.01376	28.1
61.98827	30.6
69.03437	1.5
69.97543	4.8
71.01375	26.3
73.02930	4.1
74.16031	1.1
74.68407	1.2
78.52266	1.2
81.03431	1.5
83.01382	2.8
83.05020	4.4
85.02930	6.3
87.00858	3.2
88.98778	1.9
89.02424	7.2
93.03426	4.5
95.05047	2.3
96.95994	3.5
97.02932	3.9
97.06570	5.7
98.19831	1.3
99.00867	6.0
101.02448	11.0
105.33758	1.1
109.06587	10.7
112.98560	1.7
113.02418	5.4
119.03490	1.5
125.02429	1.6
125.09689	3.7
127.11292	1.5
132.88200	1.3
133.02892	1.8
135.04486	3.7
137.02377	3.2
145.05070	2.0
151.04085	1.3
151.11276	23.2
161.02359	2.6
161.04570	3.9
163.11282	9.2
169.12323	100.0
170.12668	3.4
171.10251	26.0
173.04530	3.9
179.03436	2.5
179.05542	3.0
181.12296	4.9
183.13847	3.0
184.14200	3.6
189.09196	1.6
189.48100	1.3
191.05595	10.4
193.26450	1.3
195.10146	4.2
197.11827	36.0
198.12144	2.4
199.13380	5.6
201.11172	3.7
207.10228	33.2
208.10529	2.8
209.11812	47.4
210.12105	6.3
213.11284	18.7
225.11295	27.8
226.11609	1.9
227.12862	6.6
235.08084	7.1
243.12280	6.0
243.23688	1.2
247.15567	1.4
253.09233	11.2
287.14792	1.8
359.22180	2.6
377.23492	1.5
431.19162	3.2
433.20477	3.4
445.20636	2.2
449.00888	1.3
449.20117	17.7
450.20480	2.5
461.20361	8.6
479.21136	5.3
603.29932	8.6
604.01117	1.4
604.30353	2.0
613.32770	2.5
631.32117	1.9
639.30353	5.2
640.29895	1.5
653.31573	2.1
657.31219	37.5
658.31384	10.2
675.33801	15.7
676.32813	3.0
689.33820	2.5
707.35345	11.3
708.35345	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	707.1819
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00592	0.2
59.01372	0.9
67.01884	0.3
69.03448	0.3
70.07064	0.6
71.01369	0.7
73.02920	0.2
81.03469	0.2
83.05026	0.3
85.02945	6.6
87.00864	1.5
93.03449	3.3
94.03783	0.2
99.04514	0.3
109.02927	0.6
111.04504	1.1
113.02448	0.1
117.60194	0.2
123.40010	0.1
127.04006	2.3
133.02933	0.7
135.04520	1.9
137.02405	0.2
155.03450	0.3
161.02435	1.6
162.02719	0.2
171.03018	0.7
173.04518	2.5
179.03456	1.6
191.05594	100.0
192.05952	3.2
204.72241	0.2
215.05513	0.2
351.07025	0.1
352.73587	0.1
353.08728	16.0
354.09119	1.4
385.59189	0.2
700.57452	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	706.1081
Annotation	Unknow
Peak:m/z	Relative Intensity
53.52426	0.5
58.58084	0.4
59.01355	0.7
61.98822	0.6
65.69359	0.5
67.01901	0.6
70.73925	1.0
72.99315	3.8
79.95712	3.3
81.03439	0.5
85.02951	4.3
87.00867	1.5
93.03448	4.4
94.03793	1.1
95.74435	0.5
96.95998	2.9
109.02907	1.1
111.04493	0.9
116.05054	5.7
127.03969	1.5
128.05067	3.0
130.06621	2.3
132.04616	0.5
133.02950	1.0
134.03183	0.6
135.04439	0.8
142.06615	27.5
143.06927	1.3
144.04514	1.2
158.06108	16.6
159.06416	0.8
161.02393	1.7
172.03944	0.5
173.04512	1.6
186.05602	8.7
191.03729	0.7
191.05597	42.0
192.05943	4.7
204.06631	43.4
205.07033	2.7
210.00417	0.8
210.02283	6.4
211.02603	0.6
222.02307	13.1
223.02672	1.1
223.07632	0.8
238.01836	1.5
239.07053	0.6
240.07243	0.5
249.05658	0.6
250.05922	0.6
251.06990	1.1
252.07451	1.0
267.06592	2.0
268.06900	1.1
277.05069	1.0
278.05334	0.7
284.02319	100.0
285.02692	6.3
285.82568	0.6
293.04590	0.6
294.05072	0.8
295.06131	1.5
296.06506	1.8
311.05414	0.6
321.04022	2.0
322.04343	2.5
339.05096	12.2
340.05466	12.4
341.05826	0.7
353.08868	6.2
354.09030	1.2
513.10297	13.9
514.10693	29.8
515.10620	3.2
706.16864	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	705.4423
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	20.7
60.28596	0.7
61.98806	1.5
63.73838	0.7
69.88544	1.5
69.88941	2.7
71.01392	1.9
73.02963	1.1
83.62107	0.8
85.02924	0.9
85.57351	0.8
89.02431	1.9
91.66654	0.8
98.19810	1.0
98.53049	0.7
101.02406	1.8
161.04536	0.9
171.10254	74.5
172.10571	3.6
235.08200	4.6
253.09244	6.9
255.23268	100.0
256.23639	9.5
491.32321	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	705.3866
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	0.5
56.03462	0.3
57.03451	0.7
58.00582	0.8
59.01377	17.3
60.99312	0.5
61.98826	16.0
69.03454	0.9
69.33876	2.8
70.64338	0.4
71.01380	13.1
71.05003	0.7
72.99291	0.9
73.02948	5.7
75.00858	1.0
81.03458	0.8
83.01388	1.8
83.05029	5.0
85.02946	3.1
87.00871	7.1
88.98799	0.7
89.02428	2.2
93.03452	2.2
95.01335	0.6
95.05026	0.6
96.96004	4.4
97.02937	1.3
99.00867	1.1
101.02442	11.1
108.02203	0.7
109.02930	1.4
109.06583	1.4
111.00864	0.4
111.04505	1.0
113.02457	3.4
119.03494	1.4
123.04504	1.0
123.05346	0.4
125.02434	2.2
125.09708	1.3
127.04065	0.4
127.11269	0.5
131.03496	1.3
133.02904	0.6
135.04544	2.5
137.02440	1.2
143.03516	1.2
151.03969	0.7
151.11296	0.6
155.03462	0.8
155.10728	0.6
161.02446	1.9
161.04523	1.5
163.03900	0.4
163.11284	1.9
165.01897	0.4
165.05525	0.7
165.12845	0.4
169.12334	2.4
171.10265	13.4
172.10648	0.6
173.04471	1.6
173.47510	0.4
176.04828	0.4
179.03506	1.2
179.05647	0.4
179.10741	0.7
181.12321	1.4
183.10291	0.4
185.11769	0.9
187.09644	0.5
191.05588	6.4
192.05927	0.5
195.10201	0.5
197.11844	2.1
199.09778	0.9
199.13376	2.9
201.11310	4.4
203.05515	0.6
207.10243	4.9
208.10568	0.4
209.11813	16.8
210.12154	0.9
213.11234	0.6
215.12852	1.0
223.09766	0.9
225.11298	8.1
226.11566	0.4
227.12871	7.9
228.13258	0.6
235.08052	0.9
243.12474	0.9
243.14691	0.4
253.09305	2.9
265.43689	0.4
289.07138	0.5
319.22849	0.6
320.23141	1.0
321.22775	0.4
323.23840	1.0
336.91006	0.4
363.27100	0.5
387.26447	0.5
401.23672	0.7
405.27759	0.8
417.28311	0.5
419.24887	0.6
422.26816	0.5
429.30081	1.2
433.27548	2.4
435.28891	1.5
441.33698	1.2
445.20755	0.6
457.33206	0.7
461.20297	1.5
463.21951	0.9
471.31210	0.8
483.31140	11.6
484.31036	1.7
497.32846	1.0
501.32193	100.0
502.32541	18.3
515.33777	2.7
516.34027	0.7
543.33252	5.0
544.33923	0.8
615.30286	0.4
633.31012	0.8
637.32495	0.7
645.35303	0.6
655.33386	1.3
669.31549	0.6
673.33356	0.7
687.31848	3.1
688.32422	0.6
705.33447	2.4
706.33752	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	705.3694
Annotation	Unknow
Peak:m/z	Relative Intensity
56.75383	0.2
57.03440	0.2
59.01134	0.2
59.01376	2.4
61.98824	0.4
65.54095	0.2
71.01380	2.9
71.61104	0.4
72.99317	0.2
73.02934	0.4
73.14439	0.2
73.32714	0.2
76.09235	0.2
80.02675	0.9
81.03434	1.2
83.01357	0.4
83.05025	4.2
84.02155	0.7
85.02950	0.6
87.00863	0.8
87.73183	0.2
89.02434	1.5
89.64915	0.2
89.96654	0.2
91.04001	0.2
93.03458	0.4
95.05032	0.5
96.95995	0.7
97.02962	0.3
97.06550	0.3
99.00873	0.3
101.02424	1.6
109.06564	0.6
111.04539	0.2
113.02428	1.2
118.66131	0.2
119.00506	0.2
119.03506	0.5
125.02451	0.3
125.06088	0.7
125.09715	0.5
134.03706	0.5
135.04416	0.2
135.08134	0.5
137.02516	0.3
145.05052	0.3
161.04558	0.8
161.09718	0.3
163.11288	3.6
164.11563	0.2
165.12836	2.0
169.12303	0.6
171.10237	1.9
179.14078	0.2
181.12326	0.6
191.05591	0.6
191.10744	0.9
192.72560	0.2
193.04951	0.4
197.11844	0.7
199.13362	0.3
201.11313	0.6
207.10225	0.8
209.11809	100.0
210.12138	6.2
221.11864	0.2
225.11252	1.2
227.12874	14.6
228.13187	1.0
235.08223	1.5
247.13396	0.4
253.09264	6.0
254.09468	0.2
329.30606	0.2
401.23309	0.3
445.20761	1.9
446.21045	0.2
461.20569	0.3
463.21500	0.3
483.31085	0.2
501.32257	0.9
611.29846	0.2
637.32245	0.6
655.33124	0.5
673.33478	0.3
687.32422	0.8
688.08575	0.2
705.33270	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	705.3334
Annotation	Unknow
Peak:m/z	Relative Intensity
51.28102	0.8
55.01878	0.9
57.03434	3.5
58.00570	1.5
59.01376	11.4
61.98831	8.8
64.36008	0.9
66.87112	0.8
67.01888	1.1
67.50336	1.0
69.03459	4.6
69.41791	0.8
69.42081	7.9
71.01376	15.1
71.05011	2.2
72.99272	1.1
73.02934	4.1
73.93169	1.1
74.04419	0.8
75.37370	1.0
75.85239	0.9
81.03436	1.8
83.01370	2.3
83.05020	3.7
84.02146	1.2
85.02942	5.0
87.00857	6.6
89.01983	0.9
89.02452	6.5
93.03426	5.0
95.01350	1.5
95.05014	1.5
96.96031	6.4
97.02930	2.5
97.06572	2.4
99.00858	1.2
101.01896	1.1
101.02438	8.1
109.02924	3.5
109.03611	0.9
109.06565	2.5
111.00860	1.1
111.04504	1.4
113.02466	5.3
117.03457	1.1
119.03529	2.2
121.02966	1.6
123.04508	2.2
123.08146	1.9
125.02448	4.5
125.06116	1.8
125.09719	7.9
127.04036	0.9
127.11258	5.2
133.02928	1.4
135.04526	4.3
135.08134	1.2
137.02434	3.2
137.09691	1.1
149.02452	2.4
151.03937	2.0
151.11252	4.0
153.01857	1.2
153.12805	1.9
155.10733	2.1
161.02425	4.1
161.04527	3.5
161.09732	5.6
163.11264	4.1
165.09178	2.2
165.12814	1.8
169.12228	1.4
171.10246	16.8
171.19960	1.0
173.04494	3.9
175.00211	1.0
179.03490	2.4
179.05557	1.2
179.10782	10.3
181.12260	2.1
183.10175	1.3
191.05589	15.2
192.05884	1.1
197.11813	100.0
198.12132	5.8
199.09682	2.7
199.13350	2.0
201.11301	37.7
202.11650	2.2
207.10292	7.3
209.11815	50.8
210.12199	2.8
223.09712	3.2
225.11275	12.1
226.11574	1.3
227.12849	6.4
235.08263	1.5
241.10785	4.8
243.12270	2.1
253.09294	8.1
267.74686	1.1
289.06967	2.7
343.26273	0.9
353.09235	1.1
477.19757	1.7
488.11359	1.0
501.32266	5.3
517.77478	1.1
602.07404	1.0
661.30695	22.2
662.31366	2.8
669.29926	1.2
687.32214	69.2
688.32404	11.1
705.33289	82.9
706.33734	15.8
717.55945	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	705.2033
Annotation	Unknow
Peak:m/z	Relative Intensity
53.26929	0.2
55.85543	0.2
59.01376	1.3
60.99306	0.3
67.01876	1.0
69.03419	0.3
71.01371	0.8
71.37820	0.3
73.02914	0.2
75.00871	0.2
78.45943	0.2
81.03445	0.5
83.05003	0.5
85.02950	6.7
87.00864	2.4
93.03450	7.3
96.96010	1.0
99.04505	0.5
109.02944	0.8
111.04501	1.4
119.05008	1.2
121.02931	0.7
125.02419	0.5
127.04003	1.5
132.19730	0.2
133.02953	1.0
134.03728	0.8
135.04503	0.7
136.38956	0.2
137.02422	0.6
145.02922	0.7
146.85742	0.2
151.03888	0.2
153.01952	0.2
155.03505	0.3
158.06215	0.2
161.02425	3.5
162.02795	0.3
163.03929	1.0
165.01993	0.2
171.02968	0.5
173.04536	5.0
174.04750	0.2
175.03888	0.2
176.01047	0.2
177.01889	0.6
178.02586	0.2
179.03465	0.5
179.05615	0.2
191.05591	100.0
192.05934	3.7
203.26665	0.2
215.05545	0.2
238.01752	0.2
239.07053	0.3
267.06708	0.2
289.07126	0.2
292.87918	0.2
293.04553	0.2
295.68942	0.2
311.05478	0.2
320.99481	0.2
326.74936	0.2
337.09259	21.6
338.09653	1.8
339.05069	4.0
340.05493	0.5
351.07178	0.6
367.10291	0.9
450.16656	0.2
513.10278	6.9
514.10767	0.6
705.17682	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	705.2033
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	0.5
59.01374	1.1
67.01896	0.9
68.73337	0.2
69.03446	0.4
69.37157	0.2
69.38777	1.6
71.01378	1.0
73.02920	0.3
81.03457	0.4
83.01370	0.2
83.05019	0.4
85.02946	6.6
87.00871	2.3
93.03455	7.1
96.96008	0.7
99.04491	0.3
101.02407	0.2
101.80258	0.2
102.31557	0.2
109.02953	0.4
111.04523	1.8
113.02413	0.3
115.46941	0.2
117.03453	0.2
119.05038	0.7
121.02951	0.6
123.04526	0.3
125.02428	0.7
125.99822	0.2
127.04001	1.7
127.56347	0.2
133.02953	1.2
134.03712	0.8
135.04510	0.7
137.02417	0.5
145.02910	0.7
155.03438	0.5
158.06192	0.2
161.02428	3.1
163.00290	0.2
163.03990	1.8
171.02986	0.5
173.03075	0.3
173.04543	4.1
174.04887	0.3
175.03978	0.2
177.01923	0.7
179.03479	0.5
191.05595	100.0
192.05936	4.1
193.04990	0.3
215.05585	0.2
233.46344	0.2
239.07245	0.2
289.07214	0.2
311.05557	0.3
330.79492	0.2
337.09265	20.9
338.09573	1.8
339.05093	2.6
340.05460	0.3
351.07330	0.5
367.10214	0.8
513.10266	6.1
514.10553	0.9
705.17419	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	705.1672
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	3.3
60.99301	1.9
62.01383	0.5
62.16156	0.7
65.04021	0.6
67.01885	5.0
69.03453	1.2
70.35162	1.6
70.35555	1.3
71.01376	4.7
73.02986	0.6
77.03943	1.2
81.03450	1.9
83.05019	1.3
85.02945	6.2
87.00870	4.3
89.03992	0.6
93.03455	32.6
94.03812	1.2
95.05017	2.2
96.96011	1.8
98.20677	0.7
99.00891	0.8
99.04536	0.7
105.03458	7.0
108.02144	0.9
109.02953	6.4
111.00874	1.0
111.04519	6.3
117.03467	1.1
119.05024	2.1
121.02950	1.7
123.04545	4.8
125.02509	0.7
125.48693	0.6
127.04010	2.1
129.01958	0.7
132.02225	0.7
133.02953	45.6
134.03796	7.4
135.04523	12.8
137.02432	5.8
149.02443	1.4
150.03262	3.4
151.03969	2.2
155.03496	4.5
159.04486	1.1
161.02414	5.4
163.03984	2.4
173.04535	100.0
174.04906	3.7
175.03932	0.8
177.01907	21.3
178.02417	1.4
179.03497	9.9
191.05595	67.8
192.05904	3.1
193.05046	6.5
195.02934	0.8
215.05592	7.5
223.07645	0.9
229.01392	7.3
239.07137	1.0
241.05077	1.7
248.04715	0.9
249.05536	1.0
251.07121	1.1
265.05112	1.6
267.06549	2.4
277.05002	1.8
293.04645	2.8
294.05066	0.8
295.06033	5.1
307.08069	3.7
311.05457	0.9
321.04031	7.8
322.04468	1.1
337.09113	0.7
338.04398	0.8
339.05075	20.6
340.05469	1.8
351.07196	38.5
352.07437	3.8
353.08731	15.3
354.09119	1.2
367.10403	4.8
383.19312	0.7
392.04886	0.6
420.08261	0.9
437.08783	1.2
438.09103	1.7
463.11176	4.3
471.92728	0.7
513.10321	35.4
514.10767	4.9
585.56622	0.6
590.13647	0.7
705.16602	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	703.3823
Annotation	Unknow
Peak:m/z	Relative Intensity
51.99820	11.6
59.78480	13.2
61.98817	89.1
78.95875	28.7
82.95380	26.7
84.24370	16.9
98.54253	13.3
115.36173	15.6
152.99539	15.9
171.10138	25.7
209.11795	30.2
210.11964	20.9
233.96667	12.2
241.14369	67.4
255.23247	100.0
255.62349	13.1
256.23596	40.2
277.21667	18.0
549.02625	17.0
704.43774	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	704.2208
Annotation	Unknow
Peak:m/z	Relative Intensity
51.66767	0.1
52.51360	0.1
54.74536	0.1
59.01376	3.5
60.01712	0.3
61.01788	0.1
61.98826	100.0
62.98520	0.2
72.91998	0.1
80.85229	0.1
181.00592	0.1
208.39188	0.1
286.44855	0.1
345.28592	0.1
397.92737	0.1
416.74069	0.1
483.15161	0.5
484.15634	0.7
497.17087	0.1
498.17004	0.3
499.18176	0.1
542.16406	0.2
543.16803	0.2
556.19293	0.2
557.18732	0.9
558.19092	1.5
574.15668	0.2
575.15411	0.4
589.17413	0.2
641.21979	0.1
643.22882	0.2
644.22754	1.0
703.24738	0.3
704.24121	3.7
705.23047	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	703.3673
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	32.4
61.98820	100.0
69.36481	79.9
70.05169	9.5
71.01354	11.9
78.95877	10.7
89.02453	23.1
90.81799	8.2
96.96014	11.3
97.66257	8.5
104.66627	10.0
113.02444	10.9
113.28265	8.9
161.02403	16.9
171.10287	10.9
191.05589	20.0
235.08232	12.9
255.23166	12.6
255.65102	9.0
269.24820	35.6
360.05908	10.2
397.13367	88.4
398.13849	11.1
415.14786	18.6
703.36066	85.3
704.36493	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	703.3822
Annotation	Unknow
Peak:m/z	Relative Intensity
53.64888	17.0
61.98816	61.7
63.90487	18.3
70.75356	48.7
78.95901	36.4
82.95420	24.0
85.43614	16.5
96.96027	18.9
152.99559	27.0
167.03584	16.3
171.10275	27.3
209.11783	42.7
228.71202	18.7
241.14395	40.0
255.23204	100.0
256.23508	42.8
273.19977	15.9
306.88599	19.7
364.67703	18.9
487.54797	18.2
703.43158	49.1
704.43506	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	703.3527
Annotation	Unknow
Peak:m/z	Relative Intensity
51.75726	0.1
59.01377	12.9
61.98829	0.8
65.61761	0.2
65.75430	0.1
68.99806	0.2
71.01382	1.7
72.99300	0.3
73.02942	0.7
73.33479	0.2
83.01404	0.3
85.02947	0.9
88.75226	0.2
88.90533	0.1
89.02438	0.8
93.03463	0.6
96.95998	1.3
97.02981	0.2
98.20630	0.3
99.00905	0.3
101.02435	1.8
109.02936	0.3
109.06600	0.1
113.02449	0.8
119.03473	0.4
125.02412	0.4
133.02921	0.2
134.03778	0.2
135.04512	1.5
136.04842	0.2
137.02440	1.4
149.02385	0.2
150.80524	0.2
152.64667	0.2
161.02486	1.0
161.04558	0.5
163.11307	0.2
163.76895	0.2
171.10307	0.2
173.04521	0.3
176.01233	0.1
179.03554	0.9
191.05634	1.0
197.11890	0.8
201.11255	0.3
205.05084	0.3
207.10327	0.2
209.11858	0.3
225.11331	0.4
289.07135	0.2
298.24628	0.2
301.06888	0.3
319.22787	3.2
320.22998	0.3
333.24557	0.2
481.28015	100.0
482.28351	14.8
523.29041	0.6
542.28027	0.2
643.33362	4.6
644.33759	1.0
665.27692	0.8
666.28479	0.3
667.29187	0.3
667.39056	3.7
668.39258	0.5
685.30328	0.3
703.37610	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	703.2724
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	4.5
61.98825	9.2
65.10376	0.8
69.31434	2.9
69.31863	3.4
71.01368	5.9
72.60583	0.7
73.02946	2.7
85.02956	3.2
87.00909	0.7
89.02441	2.6
89.56779	0.6
91.01876	1.0
93.03453	1.9
94.32698	0.8
96.95999	6.0
99.00860	1.0
101.02444	4.4
107.05030	2.2
108.99912	0.7
109.02934	15.6
110.03281	2.9
113.02462	2.9
117.03439	1.6
123.04514	1.8
125.02475	1.0
132.02158	1.1
133.02943	15.3
133.05052	0.7
134.03767	5.9
135.04517	100.0
136.04846	4.5
137.02438	1.8
151.03996	0.8
153.01915	24.4
154.02232	6.2
155.02357	0.7
161.02432	52.2
162.02777	2.0
171.10255	1.2
179.03476	61.1
180.03816	3.4
190.02434	0.7
191.05576	5.5
289.06903	0.9
301.03632	0.8
461.92944	0.7
595.11304	0.9
639.25806	0.9
640.26874	22.6
641.27002	2.6
643.33081	3.6
667.29614	95.4
668.29913	16.9
716.36346	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	703.151
Annotation	Unknow
Peak:m/z	Relative Intensity
55.59564	0.4
59.01368	1.7
61.98827	16.7
70.09364	0.5
71.01376	0.6
73.02946	0.6
85.02946	1.2
87.00871	0.6
89.02444	0.8
93.03449	5.8
95.01402	0.5
96.96011	4.9
101.02454	0.6
108.02187	1.4
109.02953	2.7
111.04523	0.7
113.02381	0.7
120.01290	0.5
121.02914	0.7
123.00888	0.7
123.04509	1.0
124.01698	0.6
125.02458	2.9
127.82362	0.4
133.02893	1.1
134.03748	0.5
135.04497	3.2
137.02440	6.1
138.02751	0.7
149.02394	1.0
150.03244	0.8
150.99278	0.5
151.00330	2.6
152.01060	0.5
153.01955	2.4
160.01561	0.5
161.02446	4.2
163.00380	0.9
165.05559	0.6
173.04561	1.3
174.03246	0.8
175.04039	1.2
177.01859	0.8
179.03467	3.3
184.47295	0.5
191.03752	0.6
191.05585	8.8
195.06772	0.5
203.03506	0.7
215.03513	0.9
227.03494	1.4
229.01567	0.5
229.05051	1.4
230.02179	0.6
230.37477	0.6
231.02946	0.8
243.02943	1.6
255.03017	0.9
258.01651	31.2
259.02383	14.5
260.02866	0.6
271.02451	20.1
272.03165	13.5
273.03995	13.2
274.04395	0.6
283.02426	5.9
284.03088	1.0
285.04028	8.1
287.01874	0.8
298.01166	0.9
299.02081	1.1
301.03500	79.5
302.03824	6.7
304.02246	2.4
311.01825	0.7
313.03549	8.3
325.03229	0.6
329.02856	1.1
331.04544	47.6
332.04822	4.2
335.07483	0.8
343.04547	1.9
361.05780	1.0
367.04608	0.9
385.05682	1.3
399.61475	0.5
399.97894	0.4
403.06662	7.0
404.07095	0.5
523.08716	1.2
541.09827	100.0
542.10156	15.9
643.33020	1.8
703.14520	4.1
703.27734	0.8
704.15814	0.8
719.72284	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	703.1505
Annotation	Unknow
Peak:m/z	Relative Intensity
50.24255	0.9
59.01353	3.8
61.30403	0.7
61.98826	7.2
65.03970	1.4
70.57665	2.9
71.01373	5.5
72.99296	1.1
73.02942	1.0
78.91879	1.5
85.02917	2.3
87.00840	1.3
89.02418	1.8
93.03448	91.0
94.03773	3.6
96.95999	19.6
101.02412	3.0
109.02946	2.2
111.00861	0.9
113.02399	1.6
119.05029	5.4
121.02923	1.1
123.04511	1.0
125.02408	3.6
127.03981	1.0
133.02962	5.3
134.03688	3.0
135.04510	30.2
136.04842	2.0
137.02426	78.1
138.02727	3.4
146.48546	0.8
149.02408	2.2
149.06001	0.9
151.00343	3.5
151.04030	1.1
153.01859	1.0
158.29939	0.8
161.02415	15.0
161.04488	1.5
162.02852	2.0
163.04044	4.2
163.11377	0.8
164.04646	1.2
171.10178	0.9
173.04543	1.2
174.03156	1.8
175.00322	1.7
179.03490	19.9
180.03796	1.8
190.02658	3.6
191.03508	0.7
191.04027	0.9
191.05554	6.9
197.11830	1.4
205.04993	4.8
209.11787	1.0
215.03528	1.5
219.02867	1.0
223.06001	1.4
227.03430	2.0
229.05118	1.1
237.07687	1.0
243.02924	2.5
244.03780	0.9
255.02971	1.1
258.01651	24.7
259.02353	11.1
271.02441	26.1
272.03214	48.8
273.03925	16.7
274.04306	1.1
275.98322	0.8
283.02386	3.8
285.03949	5.6
286.04425	1.1
287.01935	1.0
289.07224	1.3
298.01001	1.6
299.01898	2.0
300.02594	1.2
301.03500	100.0
302.03857	9.0
304.02124	2.6
313.03412	6.3
314.03839	1.4
331.04556	39.5
331.08575	2.0
331.82632	1.0
332.05148	4.0
343.04584	3.2
367.04535	1.4
385.05719	5.2
403.06641	53.8
404.06964	4.4
421.07431	1.3
438.01785	0.9
457.13049	1.8
463.08774	43.6
464.08951	4.9
493.09747	3.9
494.10165	1.2
541.09808	61.5
542.09833	8.2
565.12183	5.9
644.96155	1.1
665.28094	20.1
666.28503	6.2
667.28644	6.4
667.39008	13.6
702.37012	1.1
703.14343	4.7
703.35364	8.9
704.15228	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	702.2612
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	2.3
61.98825	23.1
65.00324	1.0
71.62554	0.4
72.99304	0.4
73.02943	1.3
81.03458	0.4
81.21551	0.4
83.01408	0.5
85.02956	1.2
89.02457	1.2
91.01878	2.0
93.03453	1.4
93.73254	0.4
95.01374	0.7
95.05064	0.3
96.96012	3.4
99.00880	0.5
101.02457	2.0
107.02566	0.3
107.05029	0.5
108.02171	0.9
109.02946	57.2
110.03284	2.1
111.04549	0.3
113.02453	1.3
119.03549	0.4
121.02960	0.4
123.00799	0.4
123.04520	1.2
125.02449	1.1
133.02968	3.3
134.03714	1.0
135.04518	19.3
137.02431	1.4
149.02397	0.5
150.03287	0.4
151.04019	0.7
152.01212	0.6
153.01929	100.0
154.02252	3.8
158.25789	0.4
161.02440	9.3
161.04477	0.5
167.03481	1.6
173.04599	0.7
175.03952	0.5
179.03488	9.9
190.02728	1.6
191.03810	0.6
191.05545	3.3
192.05927	0.4
193.05035	0.5
205.05031	1.3
271.63126	0.3
301.03525	1.2
305.71414	0.4
319.02328	0.4
403.06738	0.5
503.33524	0.8
504.33932	0.6
530.82672	0.5
639.26520	78.1
640.26825	15.4
665.38501	0.4
666.28497	0.6
667.19623	0.7
667.29608	17.3
701.37988	0.8
702.27283	0.5
702.37903	3.1
703.33868	1.0
703.36816	1.1
715.59937	0.4
728.85217	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	701.4475
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	0.4
59.01373	2.4
61.98833	0.7
71.01381	2.8
71.62218	0.4
73.02949	0.9
80.02675	0.6
81.03455	0.6
83.01366	0.4
83.05024	3.0
84.05264	0.3
85.02945	0.5
87.00890	0.9
89.02444	1.9
101.02441	2.8
113.02454	1.3
119.03506	0.4
121.52664	0.3
130.56833	0.3
135.39479	0.3
145.05066	0.6
161.04529	0.8
163.11331	2.1
165.12851	1.4
179.05515	0.5
191.10806	0.9
207.10243	0.5
209.11818	73.2
210.12140	4.6
225.11295	0.3
227.12880	8.4
228.13239	0.7
235.08231	6.7
236.08490	0.5
253.06627	0.5
253.09276	7.9
254.09592	0.4
255.23273	100.0
256.23593	9.0
289.28574	0.4
295.22867	0.9
312.19116	0.4
312.30206	0.4
314.65540	0.3
378.64954	0.3
445.20508	0.6
491.32385	1.0
701.46094	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	701.3302
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01367	22.5
61.98831	84.7
62.44313	14.9
63.75607	14.2
65.31750	15.8
69.72294	15.4
71.61604	25.9
78.95903	24.9
85.02960	20.9
106.22285	15.6
171.10229	100.0
181.12375	17.0
223.13403	63.8
226.87219	17.1
246.07167	20.6
253.09151	20.8
255.23219	19.2
295.22708	26.0
311.22116	28.3
325.98425	19.3
459.22195	24.9
701.33490	70.5
702.34119	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	701.367
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01360	3.1
60.99292	1.0
61.98821	4.1
69.28072	4.5
69.28493	2.3
71.01358	2.5
73.02915	1.1
74.99081	1.2
75.49947	0.7
83.05009	0.8
85.02930	1.5
93.03463	1.4
96.96007	8.0
101.02421	1.5
109.02920	0.8
113.02426	1.5
123.10052	0.6
125.02397	1.6
133.02930	5.1
135.04546	4.5
137.02382	1.9
153.25273	0.7
161.02428	14.3
162.02789	0.8
171.10243	1.2
173.04514	0.7
173.13203	0.6
175.40051	0.7
179.03503	2.6
191.05562	3.7
197.02193	7.7
205.05229	0.7
209.11958	1.3
222.11354	0.7
231.06999	1.4
261.78250	0.7
341.35324	0.8
344.48874	0.8
389.28598	1.4
391.29819	1.8
407.29367	2.1
416.14737	1.5
421.27234	1.0
423.32520	1.2
433.27527	0.8
435.28952	2.2
453.82367	0.9
455.31165	0.8
457.33344	1.3
463.13699	0.8
467.31702	1.0
473.32788	2.8
485.32349	0.9
503.33740	96.9
504.34076	16.8
508.25482	0.8
641.35638	1.1
657.27466	7.4
658.28369	0.9
701.36719	100.0
702.37122	22.3
722.95007	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	701.2867
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	0.5
57.03452	0.6
58.00581	0.4
59.01375	100.0
59.89762	0.2
60.01707	1.2
71.01373	8.9
72.46495	0.3
72.99332	0.3
73.02943	3.2
74.32347	0.3
83.01373	1.8
85.02950	5.7
87.00867	0.6
89.02441	3.3
93.03458	0.8
95.01389	0.6
96.96017	0.7
97.02954	0.4
98.19846	0.7
99.00890	2.1
101.02438	9.3
102.02754	0.3
103.99412	0.2
109.02923	0.4
113.02435	4.4
119.03474	0.4
124.20432	0.3
129.02003	0.2
131.03529	0.4
133.02953	1.6
135.04504	0.5
136.62233	0.2
137.02460	0.3
143.03477	0.6
146.46443	0.3
149.04536	1.2
150.03197	0.3
159.02988	1.2
161.04562	4.3
173.04585	1.0
177.01949	0.7
179.69701	0.3
191.05585	5.5
192.06027	0.2
229.47601	0.4
235.11850	20.7
236.12308	1.0
259.14597	0.5
277.12903	11.8
277.16010	0.6
278.13382	0.7
321.11725	0.9
335.02115	1.0
347.12567	0.7
351.07181	1.2
353.08630	0.7
379.16049	4.1
380.16772	0.3
414.60419	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	701.2463
Annotation	Unknow
Peak:m/z	Relative Intensity
55.59763	0.3
56.46503	0.3
59.01377	100.0
61.98825	0.9
69.47974	2.5
70.18497	0.3
93.34810	0.3
115.18336	0.3
155.81810	0.3
191.05504	0.6
423.10641	0.5
437.12759	0.7
438.13239	3.7
439.13528	1.2
451.14093	0.8
452.14731	1.7
455.09552	0.5
467.13614	0.9
469.11929	0.3
470.12558	0.6
480.14517	0.7
481.15149	29.3
482.15503	7.2
484.13086	0.4
495.16714	12.6
496.17334	3.0
497.18411	5.9
498.18387	1.2
514.15106	2.3
515.15369	0.6
523.16083	0.7
525.14154	1.1
528.16461	0.4
539.15698	2.6
540.16425	8.5
541.16949	2.3
554.17981	2.9
555.18835	52.7
556.19098	12.2
567.18787	1.1
572.15430	15.0
573.15802	3.6
586.17004	6.5
587.17340	1.4
600.18665	0.4
609.19934	1.1
627.20844	0.9
641.22498	26.6
642.22852	8.3
701.24615	72.7
702.24896	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	701.1852
Annotation	Unknow
Peak:m/z	Relative Intensity
51.97533	1.7
56.09427	2.0
57.03422	2.7
59.01372	15.1
60.63636	1.7
61.98825	26.8
69.03422	6.7
71.01373	11.5
71.04998	2.3
72.99335	1.7
73.02930	2.9
79.95744	2.0
85.02921	6.5
85.19873	1.8
87.00858	3.3
88.98766	8.2
89.02409	5.4
93.03407	6.9
96.96004	14.8
97.06498	3.3
101.02402	6.0
111.00823	2.4
113.02389	5.7
121.02914	2.8
123.08141	2.6
125.02413	3.8
125.09713	2.4
127.03957	2.8
133.02905	3.4
133.06555	2.8
135.04457	6.8
137.02373	8.2
147.04445	2.0
151.04021	11.1
151.11290	2.0
161.02351	6.7
161.09645	2.8
164.04779	3.0
171.10187	3.3
173.04457	6.1
177.01759	2.1
179.03481	4.8
179.10680	8.2
191.05685	10.2
197.11815	92.0
198.12096	4.0
207.09998	2.8
209.11717	4.1
225.11209	3.5
237.07664	89.9
238.07861	7.4
241.10727	4.6
253.09169	2.1
319.23550	1.9
477.19742	2.6
500.16190	2.3
513.15814	4.7
665.38373	3.8
701.19458	5.2
701.29791	100.0
702.30365	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	701.1358
Annotation	Unknow
Peak:m/z	Relative Intensity
51.41817	0.3
57.03463	0.3
59.01373	1.3
61.98835	1.1
67.01906	0.6
71.01382	0.7
72.99272	0.4
81.03487	0.3
85.02946	5.0
87.00898	1.4
89.02452	0.3
93.03457	3.3
96.95986	1.5
101.02467	0.4
109.02960	1.1
111.04530	0.5
125.02464	0.6
127.03996	0.9
127.82600	0.3
133.02945	0.8
135.04515	1.6
137.02396	0.9
138.24706	0.3
147.04510	0.9
151.03972	0.5
152.01053	0.3
161.02432	2.8
165.05534	0.8
173.04599	1.7
179.03386	0.4
191.05595	27.2
192.05919	1.2
201.32904	0.3
205.73676	0.4
207.06540	0.4
234.03091	0.3
235.03854	0.5
262.02594	0.6
263.03455	39.2
264.03757	3.2
265.04874	0.4
289.01471	0.4
291.03046	1.7
306.01685	1.2
307.02533	0.4
309.04099	0.5
334.01169	3.4
335.01941	100.0
336.02267	10.7
401.11917	0.5
470.65393	0.4
509.07202	3.2
510.07233	0.6
701.13458	40.5
702.13708	6.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	695.3112
Annotation	Unknow
Peak:m/z	Relative Intensity
56.40467	0.4
59.01376	100.0
59.23492	0.5
59.93379	0.4
60.01719	0.9
61.98828	3.5
62.95889	0.4
68.26966	0.5
69.69962	1.0
69.70365	2.1
70.26724	0.4
74.37225	0.4
76.16986	0.5
78.95898	7.0
81.96905	0.5
96.80692	0.4
98.01930	0.4
98.19899	0.9
133.64287	0.4
150.51382	0.5
205.15948	0.7
419.18536	0.6
471.34695	0.7
622.34186	0.5
695.31061	36.0
696.31470	7.5
696.42810	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	699.2418
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	5.4
61.75991	0.5
61.98829	5.9
71.01382	4.8
71.62563	0.8
72.99296	0.9
73.02952	1.9
81.03471	0.7
85.02952	1.6
87.00883	0.7
88.98811	1.9
89.02440	4.6
93.03459	1.9
96.96013	3.8
99.00874	3.6
99.04533	0.5
101.02444	1.8
105.03484	0.5
107.05035	2.0
107.76868	0.6
108.02164	0.6
109.02957	1.8
113.02448	0.7
117.03429	1.0
121.02941	1.5
125.02440	1.0
131.03496	0.6
132.02151	1.4
133.02951	19.1
134.03749	7.5
135.04520	100.0
136.04851	3.7
137.02446	1.6
139.36142	0.6
149.02400	0.8
149.06081	0.9
151.03998	1.5
152.01186	0.9
160.01666	1.5
161.02435	55.1
162.02768	1.2
165.05544	1.0
171.10262	0.8
173.04555	2.9
175.03966	2.2
179.03482	69.1
180.03770	3.0
191.05615	6.6
193.05130	0.8
202.02779	0.6
203.03560	0.6
207.06683	1.2
251.05620	9.9
257.08728	0.6
301.45709	0.6
311.07718	9.6
337.09341	2.0
353.08698	19.2
354.09021	1.7
383.09756	18.1
384.10226	0.9
413.10858	33.8
414.11151	3.3
437.10687	0.9
455.11963	1.3
467.19275	0.8
473.12970	19.5
474.13104	1.8
550.43195	0.6
636.20111	0.7
663.26526	52.5
664.26813	9.8
699.25806	0.7
699.36945	6.8
700.36731	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	695.2916
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	0.4
59.01376	2.2
59.87606	0.2
69.03445	0.2
69.45451	1.8
71.01383	1.8
72.99317	0.7
73.02952	0.6
76.74622	0.3
83.01378	0.4
85.02966	1.2
85.22602	0.2
87.00880	0.8
89.02443	1.5
89.03953	1.9
93.03446	0.6
96.96010	3.5
98.95583	0.3
99.00885	0.9
101.02418	1.6
106.04224	0.3
109.02900	0.3
111.04592	0.2
113.02449	1.1
117.03465	6.4
118.03809	0.4
119.03483	0.3
121.02915	0.2
123.04499	0.4
125.02432	0.9
125.93551	0.2
131.03552	0.4
132.02170	2.8
133.03011	1.1
134.03734	87.1
135.04024	3.7
137.02388	0.7
139.03987	0.3
149.02461	0.6
149.06076	7.0
149.07233	0.5
151.03992	0.3
160.01656	10.5
161.02449	2.4
164.04752	0.3
165.05479	0.3
173.04558	0.5
175.03995	12.7
175.36388	0.3
176.04323	0.8
178.02699	1.6
179.03433	0.8
191.05608	1.8
193.05042	100.0
194.05383	5.6
206.96840	0.3
223.06046	0.6
233.06548	0.5
289.07330	0.3
387.20184	0.8
401.21582	0.2
501.23343	3.9
502.23590	0.4
519.24316	0.8
585.70374	0.3
695.29108	17.8
696.29553	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	695.2913
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01365	1.3
61.98837	0.3
71.01385	1.5
71.57877	0.4
74.84261	0.2
79.95738	0.7
84.25192	0.2
85.02950	0.9
87.00874	0.5
89.02463	0.5
89.03956	1.7
93.03448	0.5
96.96003	8.9
99.00865	0.4
101.02420	0.7
102.65786	0.3
105.49800	0.3
113.02426	0.6
117.03452	5.4
119.05077	0.3
123.08203	0.3
125.02424	0.3
132.02167	2.5
133.02936	0.6
134.03734	81.0
135.04111	2.7
137.02403	0.8
141.98967	0.3
149.06082	6.9
150.06441	0.4
151.03996	0.3
160.01649	9.6
161.02322	1.0
169.07028	0.2
173.04611	0.7
175.03993	9.2
177.01936	0.3
178.02699	0.7
179.03464	0.9
189.12810	0.3
191.05630	3.0
193.05037	100.0
194.05371	4.4
196.52338	0.3
207.13760	0.4
231.06956	0.6
239.06686	2.8
239.56862	0.8
353.08813	0.3
365.17770	0.8
381.17316	0.3
383.18704	0.3
399.18359	1.2
418.77509	0.3
450.23834	0.3
695.18616	0.7
695.29034	15.4
696.29639	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	695.2036
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	0.2
59.01375	0.8
67.01886	0.3
71.01379	0.8
71.60876	0.2
83.05038	0.2
85.02940	5.6
87.00854	1.2
93.03453	3.3
96.96001	0.5
99.04496	0.2
109.02936	0.7
111.04505	1.0
116.92815	0.2
127.04002	1.7
133.02977	1.3
134.03622	0.4
135.04520	3.7
136.04863	0.3
137.02438	0.4
152.01082	0.2
153.01962	0.2
155.03485	0.3
161.02432	1.4
165.04115	0.8
171.02956	0.4
173.04533	4.3
174.04918	0.3
177.01941	0.5
179.02051	0.3
179.03484	3.0
180.03815	0.2
191.05589	100.0
192.05934	3.9
192.07661	0.2
193.04977	0.3
215.05493	0.3
299.07642	0.3
312.50287	0.2
341.07535	0.2
344.06375	0.2
351.07196	1.0
352.07584	0.2
353.08725	20.9
354.09137	1.9
404.43542	0.2
570.11328	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	695.2033
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	0.2
58.00604	0.1
59.01365	0.7
65.24879	0.1
67.01875	0.3
71.01386	0.4
72.32957	0.1
73.02943	0.2
73.90192	0.1
77.92166	0.1
79.42096	0.1
81.03429	0.2
83.05027	0.2
85.02942	5.4
87.00868	1.1
93.03458	2.8
99.04521	0.1
109.02950	0.5
111.04512	0.7
127.04002	1.6
133.02907	0.9
134.03749	0.2
135.04509	3.0
137.02470	0.2
155.03479	0.2
161.02411	1.6
162.02798	0.2
171.02992	0.4
173.04517	3.2
174.04968	0.2
176.30978	0.1
177.01895	0.2
179.01988	0.1
179.03477	3.0
180.03864	0.2
180.23515	0.1
191.05592	100.0
192.05930	3.8
196.48701	0.1
215.05644	0.2
319.79410	0.1
351.07227	0.3
352.07581	0.1
353.08722	20.8
354.09082	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	695.1819
Annotation	Unknow
Peak:m/z	Relative Intensity
54.08842	0.5
57.03449	1.2
58.00607	0.6
58.10609	0.5
59.01374	2.5
67.01902	3.1
69.03448	1.1
71.01379	2.8
71.61738	0.6
73.02952	5.4
83.05022	1.1
85.02948	6.9
87.00865	2.2
89.03970	1.2
93.03451	20.4
94.03808	0.7
96.96030	1.7
99.00898	0.6
103.03983	0.8
107.05003	0.6
109.02965	1.5
111.00934	0.7
111.04516	5.4
117.03458	6.4
119.04991	0.8
125.39178	0.6
127.03985	1.9
133.02953	2.9
134.03738	66.2
135.04530	51.7
135.05627	0.9
136.04839	2.2
137.02419	4.5
147.02972	0.8
149.06100	6.1
155.03488	4.6
161.02463	4.2
165.04056	1.1
169.43808	0.5
173.04535	81.3
174.04878	3.0
175.02412	0.6
175.05086	0.7
178.02693	4.8
179.03488	53.4
180.03810	2.9
191.05597	55.3
192.06024	1.8
193.05045	100.0
194.05356	5.3
221.04552	1.1
281.06802	1.2
341.08752	20.6
342.09152	1.4
353.08743	78.0
354.09167	6.7
508.31384	0.6
594.49170	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	693.349
Annotation	Unknow
Peak:m/z	Relative Intensity
54.28513	0.4
55.01861	1.0
56.07380	0.6
57.03439	2.2
58.00591	1.0
59.01376	17.3
61.95956	0.5
67.05241	0.4
71.00987	1.0
71.01377	14.1
72.99290	2.1
73.02945	3.2
76.92828	0.5
79.95724	1.3
83.01376	1.7
83.05025	1.3
85.02947	8.6
87.00858	1.6
89.02442	6.7
91.21606	0.5
93.03448	1.8
95.01382	0.9
96.96002	19.6
98.19745	0.9
98.95595	1.6
99.00874	1.4
101.02444	12.5
108.80943	0.4
109.02950	1.7
111.04501	1.4
113.02440	6.2
119.03484	2.7
123.04519	5.0
125.02469	0.7
131.04575	0.6
133.02896	0.6
134.03645	0.8
134.97331	0.4
135.04506	1.4
137.02440	0.8
151.04005	0.7
153.01941	1.5
160.01648	0.6
161.02463	2.7
173.04495	2.2
175.04097	0.9
179.03476	1.3
179.05710	0.7
189.01901	1.3
190.02586	1.0
191.05618	9.9
192.05942	1.0
193.05016	0.8
199.68306	0.5
203.03448	0.5
209.11707	0.8
217.01288	0.7
239.06696	1.8
271.09689	1.2
281.04630	0.8
295.10599	0.5
297.22070	0.9
338.41180	0.5
341.06628	3.5
353.08752	1.6
363.25372	1.3
381.17383	0.7
386.13620	0.6
397.13425	0.7
399.18491	0.9
461.81760	0.5
469.29642	1.5
470.30887	0.7
487.30402	5.2
488.31348	0.9
531.28333	1.0
561.18170	0.8
631.34308	0.9
649.35962	5.4
650.37024	1.1
657.27643	1.7
675.26843	0.8
677.18420	0.6
693.34863	100.0
694.35278	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	693.2771
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	4.6
61.98833	3.5
67.01887	3.2
70.99361	5.1
70.99684	2.2
71.01380	7.1
79.95742	3.5
83.01374	2.9
83.05031	3.5
85.02957	9.6
87.00899	2.3
91.01913	3.0
93.03442	15.2
94.06634	3.2
96.96004	75.2
98.95588	4.0
99.92603	2.3
101.02464	3.0
106.06606	2.6
108.04535	3.0
109.02961	32.6
110.06083	4.3
111.00875	2.8
111.04539	3.7
113.13464	2.8
116.92857	5.1
119.04993	3.3
121.02947	2.9
122.02480	2.5
122.06121	15.0
123.04533	3.3
124.07627	2.3
125.02448	5.9
133.02942	5.9
134.03708	3.2
134.06104	20.9
135.04518	13.7
135.06889	3.7
136.07678	7.1
137.02451	10.8
138.05528	5.4
140.07170	29.8
144.04561	3.7
147.03256	2.5
147.04501	3.5
149.02522	4.1
149.04810	8.8
150.05629	7.5
151.03979	5.3
152.07167	4.5
153.01924	28.8
154.02231	3.6
160.01689	5.0
161.02477	10.2
161.04817	5.3
162.05542	14.5
164.03572	7.3
164.07202	13.1
166.05069	5.4
167.05861	4.1
172.04051	5.9
173.04597	15.5
175.03908	5.6
177.01910	3.7
179.03432	9.2
181.05244	2.4
187.03934	2.5
190.02687	8.4
191.05597	40.0
191.07220	1.6
192.05901	2.7
193.05049	3.9
204.06673	8.5
205.05037	10.4
212.05884	8.7
223.06206	2.7
225.06621	6.5
225.20728	2.7
227.11874	3.1
229.01431	5.6
230.11807	2.9
237.10291	11.9
238.07237	2.6
239.08272	8.1
240.09001	6.9
241.09578	3.6
243.02977	3.4
243.11307	11.9
245.08200	5.6
251.08014	3.6
251.11856	5.3
252.10384	4.9
252.12666	6.6
253.06195	18.2
253.09801	17.5
255.11368	12.0
257.09299	8.9
259.10965	5.4
261.12436	6.3
266.07040	8.3
267.07672	21.8
267.11349	11.8
268.08530	11.2
268.12109	9.8
269.12796	3.1
271.10947	3.3
273.12610	13.4
275.10358	5.7
279.07526	8.2
279.11078	3.4
280.08517	27.8
281.09268	33.2
285.08881	5.4
289.07297	6.7
290.12595	3.0
295.10861	100.0
296.11560	37.9
297.12396	21.5
299.10208	6.9
301.11923	7.7
303.13486	47.9
304.13730	5.2
311.10388	3.9
313.11993	8.6
319.12964	4.6
321.14633	3.8
327.13522	25.6
328.14105	3.0
339.05063	12.4
339.09769	31.3
340.05908	2.6
340.10483	7.6
341.11356	8.6
341.19693	2.9
349.13943	18.0
353.08649	4.5
367.10184	8.3
371.12454	33.1
372.13168	5.0
373.13867	8.3
390.14661	3.7
399.18335	2.7
404.16168	5.4
420.15680	3.9
479.16821	5.4
511.19431	5.9
512.20325	3.6
513.38177	2.5
557.24438	7.9
599.24963	19.7
601.22937	35.0
602.23114	3.8
603.17157	4.3
617.25848	8.0
633.25714	20.7
634.26221	6.3
643.24011	90.5
644.24170	16.3
655.25873	14.2
656.25848	3.6
657.17743	5.9
657.27295	8.9
661.25073	57.5
662.25311	13.9
675.26752	51.3
676.26746	9.6
693.14648	26.4
693.27966	27.8
694.15479	7.0
694.28217	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	693.2772
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	2.8
59.01363	4.2
60.69658	2.3
60.82359	2.0
61.98845	3.0
68.21060	2.0
71.01370	8.0
71.62473	2.5
75.71686	2.2
79.95739	3.8
83.01406	3.0
84.56891	2.5
85.02931	6.0
87.00867	3.4
89.02467	2.7
93.03427	12.4
94.14196	2.1
96.96004	52.4
98.95551	2.1
99.04527	2.5
101.02434	4.0
108.02145	2.7
108.04533	4.0
109.02949	25.2
110.06078	3.5
111.04492	3.5
116.92843	4.6
121.05312	2.2
122.06144	11.6
123.04524	3.8
125.02398	4.8
133.02994	6.3
134.03743	5.1
134.06120	22.8
135.04544	10.4
135.06883	4.9
136.07646	8.5
137.02414	8.8
140.07156	23.4
147.04509	3.2
149.04784	6.1
149.05939	3.3
150.03067	2.3
150.05563	5.3
153.01920	23.6
159.04495	2.8
160.01584	4.6
161.02417	9.1
161.04817	5.6
162.05606	15.3
163.03958	3.2
164.03514	4.8
164.07121	13.3
166.05060	6.4
167.05896	3.5
172.04005	2.8
173.04591	14.2
175.04019	2.8
177.01849	4.3
179.03442	8.4
189.01961	3.0
190.02686	6.0
191.05621	32.2
191.07173	3.9
192.05934	3.9
193.05029	2.1
203.07199	2.7
204.06647	6.6
205.04991	7.1
211.08629	3.5
212.05850	7.0
219.02893	3.0
221.08517	2.3
225.06743	4.4
227.11806	2.9
228.08931	2.2
229.01350	3.8
229.09833	2.4
237.08102	3.1
237.10312	7.2
238.07329	3.4
239.08466	10.1
240.08994	5.1
243.11334	9.3
251.08160	4.4
251.12062	3.1
252.08810	4.0
252.12627	6.5
253.06259	15.1
253.09819	18.3
253.13383	2.6
255.11372	6.8
257.09372	5.3
259.11032	3.3
261.12369	5.8
266.06891	7.1
267.07864	14.7
267.11234	12.4
268.08502	7.5
268.12033	9.9
270.01553	2.4
271.33380	2.3
272.11646	3.3
273.12393	11.6
279.07755	8.0
279.11032	3.7
280.08566	27.9
281.09259	29.8
282.09705	2.7
283.10675	3.5
284.07941	2.3
285.08801	4.2
289.07120	5.2
290.12521	2.9
295.10861	100.0
296.11566	35.4
297.12344	24.9
299.10269	6.2
301.11841	8.9
303.13443	43.8
304.13965	4.2
313.12106	2.6
319.12851	2.3
327.13443	27.5
328.10495	4.3
339.05081	8.1
339.09766	20.4
340.10434	7.5
341.11227	8.5
346.14346	2.2
349.14224	13.8
351.07352	3.8
353.08688	3.5
367.10242	3.8
371.12421	30.3
372.13013	4.7
373.13913	3.5
390.14435	3.8
404.15945	4.4
406.13690	2.9
409.58383	2.4
479.17047	5.1
511.19345	8.5
513.13959	2.9
557.23792	6.7
573.10199	2.8
599.25159	18.6
601.22888	34.9
602.23724	3.8
603.17078	4.5
617.26056	9.5
625.23389	2.8
633.25665	20.2
643.23956	66.0
644.24115	19.8
655.26331	16.0
657.17456	3.4
657.26959	6.7
661.25146	62.3
662.25543	12.5
675.26636	48.4
676.27374	11.0
693.14502	18.9
693.27820	22.9
694.15204	4.4
694.27625	5.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	693.2761
Annotation	Unknow
Peak:m/z	Relative Intensity
51.30152	0.3
55.01894	0.9
59.01376	4.4
61.98808	0.6
68.70855	0.4
69.61888	0.7
69.62292	2.0
71.01380	4.5
72.99282	0.4
73.02936	2.0
79.95743	1.4
85.02966	1.7
87.00860	0.8
89.02438	3.1
89.03973	1.7
90.57863	0.5
93.03466	0.9
94.46759	0.4
96.96005	12.7
98.95567	0.4
99.00865	2.5
101.02459	3.1
108.02145	0.5
109.02950	0.8
111.04523	0.5
113.02446	1.3
115.81238	0.4
116.92874	0.4
117.03463	6.9
120.26555	0.4
125.02431	1.9
126.78017	0.4
131.03545	0.8
132.02168	2.6
133.02997	0.9
134.03735	100.0
135.04129	3.1
137.02472	1.5
147.04504	1.3
148.05286	0.6
149.04561	0.8
149.06084	10.0
150.03255	0.7
151.03998	0.5
153.01944	0.6
160.01651	12.3
161.02434	2.1
163.04031	1.0
165.05525	0.6
173.04521	1.7
173.25142	0.4
175.03993	14.0
176.04514	1.1
177.01944	0.7
178.02649	1.9
179.03471	1.1
189.01886	0.8
191.05586	3.6
191.07146	0.9
193.05045	94.5
194.05408	5.6
202.58701	0.4
206.05829	1.4
207.06503	0.4
217.01456	0.5
217.05029	0.4
221.08229	3.8
222.08376	0.4
231.06966	0.4
235.06084	10.4
239.06694	4.7
239.56815	2.5
240.06667	2.6
240.56781	0.4
265.07141	19.1
266.07538	1.6
267.07281	0.5
284.73941	0.4
314.36411	0.6
325.09253	24.2
326.09607	2.4
337.09396	0.5
341.06491	0.7
367.10300	16.4
368.10638	1.6
381.16885	0.7
397.11359	13.4
398.11667	1.2
399.18417	1.1
427.12399	15.2
428.12665	1.9
487.14386	0.9
499.21671	0.6
549.54919	0.5
603.23529	0.6
692.40613	0.9
692.90674	1.2
693.27283	2.4
693.39441	0.7
694.27631	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	693.2764
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	0.5
59.01122	0.6
59.01379	3.2
61.98829	0.4
67.01907	0.5
69.26949	3.3
71.01381	4.1
72.99321	0.4
73.02953	1.9
74.36317	0.3
79.95738	1.1
83.01419	0.5
85.02937	2.1
87.00871	0.7
88.48064	0.3
89.02457	3.3
89.03970	1.7
93.03448	1.1
96.96009	11.6
97.02908	0.5
98.19817	0.7
99.00871	3.1
101.02419	2.5
109.03000	0.8
111.00861	0.4
113.02445	0.7
117.03463	6.9
121.02967	0.5
125.02459	1.9
131.03522	0.6
132.02159	2.6
133.02962	1.0
134.03741	100.0
135.04012	3.2
137.02452	1.4
147.04515	1.2
149.04710	0.5
149.06078	10.7
150.03197	0.4
151.00259	0.4
151.03983	0.6
153.01952	0.9
160.01656	11.9
161.02306	1.6
161.04529	0.3
163.04002	0.6
173.04523	1.8
175.03998	14.2
176.04590	1.0
177.01874	0.6
178.02750	2.0
178.04044	0.3
179.03429	0.8
183.48306	0.3
189.01881	0.5
191.05598	3.9
191.07169	1.0
192.05998	0.5
193.05046	97.5
194.05382	4.4
201.76859	0.4
206.05818	1.5
207.06624	0.4
217.05069	0.8
221.08215	4.4
235.03732	0.5
235.06090	9.2
236.06366	0.6
239.06699	3.0
239.56866	2.3
240.06558	1.3
240.56857	0.5
247.06239	0.4
265.07153	19.5
266.07413	1.1
271.09732	0.3
307.08136	0.5
312.99832	0.5
314.00800	0.5
325.09286	24.1
326.09570	2.1
341.06381	0.7
367.10297	15.9
368.10489	1.5
381.17288	0.6
397.11362	15.0
398.11627	1.5
399.18369	0.6
427.12424	16.3
428.12979	1.7
451.10876	0.4
487.14096	0.7
501.20529	0.4
615.92358	0.4
657.11145	0.5
674.38660	0.4
692.90668	0.8
693.26508	3.2
694.28290	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	693.2027
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01097	0.4
59.01377	5.6
67.01875	0.4
69.03454	0.3
71.01371	1.2
71.61820	0.3
73.02954	0.5
75.00880	0.4
80.21292	0.2
81.03456	0.6
81.04524	0.2
85.02944	5.7
87.00874	1.6
88.04028	0.2
93.03458	3.6
96.96004	3.5
99.04503	0.4
108.02152	0.6
109.02927	1.4
111.04534	1.2
113.02349	0.3
117.03503	0.3
119.05025	1.0
121.02912	0.3
123.04505	0.6
125.02457	0.5
127.04017	2.0
132.03020	0.3
133.02930	0.6
135.04510	1.5
137.02441	0.5
143.65535	0.3
145.02933	1.1
152.01138	0.3
153.01892	0.4
155.03461	0.4
161.02396	0.9
161.04614	0.3
163.04027	1.8
171.02994	0.4
173.04550	3.0
174.04857	0.3
177.01990	0.4
179.03384	0.5
179.05595	1.8
189.01974	0.5
191.05594	100.0
192.05917	3.9
193.06027	0.7
217.01471	0.5
219.02921	0.3
229.12227	0.3
236.51520	0.2
267.06479	0.6
282.27908	0.3
289.07184	0.4
293.04382	0.2
298.18817	0.2
299.07840	1.3
311.11295	0.4
337.09250	23.5
338.09610	2.1
339.09735	0.2
341.06549	2.0
353.09000	0.3
359.07458	0.4
363.07382	0.4
561.17419	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.4059
Annotation	Unknow
Peak:m/z	Relative Intensity
51.09138	0.2
51.74303	0.2
56.47349	0.1
59.01379	1.3
61.98837	0.8
71.01376	1.0
71.05006	0.6
73.02925	0.4
74.26456	0.1
83.01382	0.2
83.04998	0.3
85.02964	0.2
93.03455	0.4
96.95991	0.7
99.00900	0.2
100.88977	0.2
101.02408	0.5
113.02430	0.3
125.02382	0.2
125.78488	0.2
127.95090	0.2
135.04498	0.6
149.02484	0.2
151.03951	0.2
161.02386	0.4
169.12334	0.5
171.10324	0.3
173.04486	0.4
179.03403	0.2
181.12329	0.2
183.13875	0.3
185.11871	0.2
191.05632	1.6
197.11823	1.0
201.11266	0.4
207.10213	0.4
209.11777	1.0
225.11276	0.4
227.12885	0.2
229.10263	0.2
328.54965	0.2
335.08871	0.2
391.30090	0.2
393.31641	0.4
404.75897	0.2
405.31409	1.1
406.31744	0.2
407.29773	0.2
427.32397	1.1
428.32831	0.2
435.28842	0.5
437.30652	1.8
438.31116	0.2
443.35071	0.8
467.31421	0.3
469.33426	9.2
470.33609	1.8
487.34244	100.0
488.34595	17.1
637.30707	0.2
659.32977	1.0
660.33020	0.4
691.34985	0.7
692.32813	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.3535
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	0.2
57.03436	0.3
58.00584	0.3
59.01372	3.3
60.25726	0.2
61.98831	1.7
69.03446	0.2
69.80396	1.1
71.01376	3.0
72.99298	0.3
73.02940	0.8
73.91277	0.2
80.02662	1.0
81.03458	1.0
83.01375	0.4
83.05024	4.3
83.24722	0.2
84.02164	0.6
85.02953	1.2
87.00884	0.8
89.02453	1.8
93.03445	1.1
95.01404	0.3
95.05017	0.7
96.95998	1.4
97.02925	0.4
97.30920	0.2
98.19916	0.2
98.95554	0.2
99.00860	0.3
101.02438	2.3
101.19303	0.2
103.86687	0.2
104.20182	0.2
108.02136	0.2
109.02925	0.5
113.02462	1.4
119.03510	0.5
123.04478	0.2
125.02407	0.6
125.06080	0.5
125.09756	1.1
126.10050	0.2
127.11309	1.1
131.04631	0.3
133.02951	0.6
134.03755	0.3
135.04527	1.7
135.08153	0.7
137.02438	0.8
137.09705	0.3
143.03557	0.3
145.05031	0.4
146.04630	0.4
149.02408	0.4
151.04050	0.3
155.10835	0.4
161.02414	2.1
161.04501	1.0
163.11279	3.0
164.11552	0.2
165.09175	0.4
165.12814	1.8
171.10217	2.1
172.10567	0.4
173.04509	1.6
173.05869	0.3
179.03458	1.2
179.05603	0.4
181.12347	0.5
183.10229	0.3
185.11871	0.3
189.09081	0.2
191.05569	2.7
191.10793	0.8
192.05888	0.2
193.05070	0.3
197.11781	0.3
199.09726	0.5
199.13399	0.3
201.11302	22.8
202.11652	1.2
207.10318	0.2
209.11806	100.0
210.12144	7.1
225.11263	1.1
226.11617	0.3
227.12866	15.0
228.13245	1.1
235.08189	2.8
247.13461	0.4
253.09261	8.0
254.09622	0.5
289.07135	0.8
353.08936	0.2
367.09866	0.3
375.21619	0.6
383.09744	0.3
393.22934	0.4
437.20114	1.2
445.20792	3.3
446.20679	0.2
463.21231	0.3
485.13126	0.5
487.30118	1.2
488.31036	0.3
529.13745	0.6
611.30688	0.4
629.32385	0.3
630.32141	0.2
637.32062	0.6
655.33441	0.7
691.29980	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.3542
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50873	0.3
55.01863	0.4
57.03434	0.8
58.00586	0.6
59.01376	16.7
59.01678	0.8
61.98825	1.6
69.03456	1.1
69.74808	1.9
71.01378	16.8
72.99284	0.8
73.02944	3.5
75.00851	0.4
81.03469	0.5
83.01388	1.7
83.05020	0.9
85.02940	2.8
87.00871	3.2
89.02438	10.9
89.13383	0.3
90.02728	0.4
93.03452	1.2
95.01377	1.0
95.04993	0.3
96.96006	2.1
97.02934	2.4
97.38650	0.3
99.00872	1.1
101.02439	11.3
109.02913	0.5
111.04494	0.5
113.02447	5.9
119.03489	3.1
125.02429	3.7
131.03513	0.6
133.02962	0.5
133.16557	0.3
135.04480	0.3
139.04001	0.5
143.03493	1.7
149.04587	0.4
157.10957	0.4
161.02443	0.4
161.04562	2.2
169.12315	0.9
171.10248	1.3
173.04520	0.8
179.05626	2.9
179.14404	0.9
185.11880	0.4
188.63596	0.3
191.05577	3.6
195.13878	7.4
196.14369	0.8
197.11771	1.1
199.06042	0.5
201.11324	0.4
205.12326	0.6
207.10233	1.1
209.11769	2.3
210.12154	0.9
211.13348	1.4
221.06693	0.7
223.13377	4.9
225.11295	0.9
227.23573	0.3
228.13527	0.7
235.08186	3.1
253.09276	1.3
256.13135	1.2
263.07642	0.8
275.20087	3.7
276.20547	0.4
287.07779	0.8
293.21201	100.0
294.21524	9.4
305.08810	0.6
379.53516	0.4
397.13461	22.9
398.13626	2.1
415.14532	23.9
416.14734	2.4
447.49942	0.4
469.33109	1.6
487.34247	55.2
488.34598	8.7
501.36002	1.1
529.35278	0.4
659.32581	1.0
691.35162	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.3541
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	1.5
59.01381	6.5
61.98831	1.3
71.01383	5.0
73.02945	1.7
75.43224	0.5
80.02684	1.0
81.03471	1.1
83.05013	4.5
84.02126	0.7
84.88641	0.6
85.02962	1.4
87.00871	1.0
89.02457	2.9
95.01405	0.5
95.05046	1.4
97.06577	4.6
98.19865	1.4
99.00903	0.5
101.02441	4.2
104.96224	0.5
109.99339	0.5
113.02446	2.3
117.28335	0.5
119.03489	0.5
125.06133	0.7
133.10280	0.7
145.05055	0.7
151.11275	13.8
161.04578	1.5
163.11269	2.9
164.04735	0.7
165.12871	1.8
169.12329	71.6
170.12665	3.6
171.10277	1.1
179.05652	0.5
181.12439	0.7
191.05609	1.9
191.10756	0.8
195.10292	2.0
197.11790	1.0
204.56107	0.6
207.10303	0.6
209.11812	47.5
210.12117	3.4
213.11281	10.2
227.12849	2.3
235.08159	0.9
238.20647	0.5
253.09277	3.6
431.19061	1.2
449.20334	3.8
497.28018	0.6
641.31866	1.2
642.31873	0.7
659.32776	100.0
660.33197	19.4
691.35614	12.2
692.35815	2.3
716.76501	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	691.1876
Annotation	Unknow
Peak:m/z	Relative Intensity
53.07310	0.2
53.35098	0.2
57.03456	0.3
59.01371	0.7
61.53496	0.3
63.44215	0.3
69.96455	1.2
71.01377	1.0
74.11155	0.3
81.03455	0.5
85.02949	6.2
87.00885	1.5
87.69251	0.3
93.03455	3.1
96.95972	0.7
99.04537	0.3
108.02159	0.3
109.02954	0.8
111.04503	1.1
119.47398	0.3
125.02458	0.6
127.03999	1.6
133.02963	1.6
135.04507	1.3
137.02382	0.4
153.30418	0.3
161.02472	1.8
163.04013	0.5
171.03032	0.4
173.04518	2.3
179.03508	0.9
191.05597	100.0
192.05939	4.1
220.57153	0.3
222.48529	0.3
284.02533	0.5
352.07437	0.4
353.08755	18.4
354.09094	1.9
691.18280	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.2237
Annotation	Unknow
Peak:m/z	Relative Intensity
53.34616	0.5
53.79751	0.5
57.03437	2.4
69.03435	0.5
70.61863	1.4
71.01350	0.8
80.02673	0.5
81.03439	2.3
83.01379	3.0
93.03432	1.8
95.05025	3.3
96.96007	2.9
97.02944	7.6
108.02156	0.6
109.02950	24.4
110.03286	0.5
117.03416	0.5
121.02966	3.8
122.03767	0.8
123.04523	13.4
124.04832	0.7
125.02436	16.6
126.02800	0.6
132.14038	0.6
135.04488	1.6
137.02443	9.2
138.03149	1.1
139.04019	2.6
145.02954	1.1
146.03731	0.8
149.02415	3.4
150.03282	0.7
151.03992	7.8
151.95857	0.5
154.56377	0.4
159.04475	2.8
160.05240	1.6
161.02419	1.1
161.04849	0.6
161.06039	3.8
162.03162	0.9
163.03992	1.3
164.01144	3.1
165.01941	4.1
166.02689	0.8
167.03455	1.5
173.06053	1.1
175.03960	2.1
175.07631	1.6
179.03497	5.9
182.66911	0.6
184.05203	0.5
185.06017	1.0
187.03998	5.1
188.04807	3.6
191.05539	0.9
199.07678	1.0
201.05600	0.8
202.06339	2.0
203.07130	12.3
204.07591	0.8
205.05042	6.9
212.04820	1.1
217.08760	0.9
221.08163	3.4
227.07132	2.2
245.08171	15.9
246.08525	1.5
247.06230	1.3
269.10364	1.0
271.06042	0.8
274.28247	0.6
289.07159	100.0
290.07510	7.8
304.12509	0.5
362.57822	0.6
401.14685	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	689.3516
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	19.4
60.36310	2.2
61.11382	2.1
61.98824	21.5
62.75167	1.7
71.01376	14.6
73.02942	2.5
73.98394	2.0
76.48228	1.9
78.29881	2.0
78.95899	6.4
85.02930	3.4
89.02439	10.8
97.02924	4.1
101.02431	11.8
113.02454	3.9
114.01542	2.0
119.03433	2.1
125.02425	7.0
149.49106	1.9
152.99544	3.3
161.04510	2.9
171.10278	2.1
191.05627	3.2
196.59088	1.8
209.11772	9.5
221.06689	2.4
235.08220	6.4
255.23271	37.4
256.23553	3.2
305.08557	2.9
397.13434	100.0
398.13776	9.1
405.99286	2.0
415.14627	22.7
416.14874	2.5
653.38031	17.3
657.32965	2.8
689.35162	86.7
690.35352	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	691.1875
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03462	0.3
59.01379	1.0
62.18546	0.3
65.95036	0.3
67.01894	0.4
70.61181	0.6
70.61546	0.7
70.80039	0.3
71.01394	0.9
81.03463	0.4
81.50208	0.3
83.05027	0.7
84.33459	0.3
85.02946	6.1
87.00867	2.2
93.03450	5.8
96.96033	0.4
109.02937	0.9
111.04501	2.9
119.05021	35.0
120.05371	1.0
127.03976	2.1
133.02965	1.8
135.04520	2.6
137.02438	0.8
145.02936	0.7
155.03506	1.5
161.02457	1.6
163.03999	62.7
164.04326	3.0
171.03023	0.3
173.04541	7.4
177.01964	0.5
179.03520	2.0
180.03958	0.3
191.05597	100.0
192.05937	3.9
215.05643	0.9
281.04364	0.4
337.09262	38.4
338.09634	2.9
351.07214	1.9
352.07523	0.4
353.08725	10.2
354.09079	0.8
402.52411	0.3
546.99200	0.3
691.19073	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	689.339
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00329	0.5
55.01884	0.4
57.03437	0.9
58.00586	0.8
59.01374	8.3
61.98830	0.9
68.05308	0.4
68.27847	0.4
68.99825	0.4
69.03442	0.5
70.93767	0.4
70.94558	0.8
71.01379	46.5
72.01730	0.7
72.99295	0.7
73.02948	3.1
80.02674	1.7
81.03458	2.2
83.01356	0.6
83.05030	6.6
84.02162	1.2
85.02952	3.1
87.00857	2.5
89.02439	3.9
93.03429	1.0
95.01366	0.6
95.05013	2.4
96.95987	0.7
97.02937	3.0
97.06574	0.7
99.00876	2.4
99.04480	0.5
101.02431	5.0
107.05021	0.6
109.02943	0.8
109.06597	8.2
110.03754	0.9
111.00887	0.8
111.08083	0.6
113.02454	3.8
119.03501	0.9
121.06585	0.6
123.08152	0.8
125.02405	1.2
125.06053	0.9
125.09721	2.6
127.11293	1.2
133.06471	0.5
135.04482	0.6
135.08157	2.2
136.05345	0.6
137.02426	1.0
137.09740	0.5
139.07648	1.1
142.02715	0.6
143.03496	1.1
145.05054	0.9
147.11760	0.6
149.09734	0.6
149.77560	0.4
151.11284	0.5
153.12819	0.6
155.10768	1.4
157.13724	0.4
161.02443	0.9
161.04546	1.5
161.09721	1.2
163.11293	9.2
164.11615	0.7
165.09222	0.7
165.12865	2.7
169.12323	0.8
170.12744	0.4
171.10262	30.5
172.10602	1.6
179.05621	0.6
179.10722	0.8
181.12369	4.0
183.10158	0.6
185.11816	2.3
189.01918	0.5
189.09187	1.3
191.05626	1.9
191.10793	1.2
197.11790	4.2
198.12071	0.5
199.09744	0.9
199.13411	2.1
201.11304	15.7
202.11691	0.8
207.10255	21.9
208.10530	1.2
209.11813	100.0
210.12132	5.7
211.13557	0.5
215.12886	2.3
225.11302	28.5
226.11644	1.6
227.12875	11.7
228.13208	0.6
233.11945	0.5
235.08205	3.9
235.13347	0.6
242.45424	0.4
243.12384	2.8
249.11267	0.5
251.12865	1.5
253.06644	0.5
253.09267	10.5
263.12793	0.6
281.14075	0.5
295.10349	0.8
399.07635	0.4
399.21713	1.2
400.86841	0.4
407.19159	0.6
417.22672	2.2
443.19125	1.4
445.20752	0.8
461.20331	5.5
462.20261	0.4
479.21216	1.1
487.21472	0.7
635.30627	1.1
653.31549	2.7
654.32294	1.1
657.31335	1.5
671.32965	3.3
672.33875	1.1
689.33618	10.7
690.34027	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	687.4322
Annotation	CHEBI:67332
Peak:m/z	Relative Intensity
51.93478	0.6
57.03439	1.4
57.29435	0.7
59.01375	3.0
59.51982	0.6
61.98818	1.5
69.69485	3.3
71.01382	4.4
73.02930	0.9
78.95916	0.9
83.01376	0.6
83.02775	0.6
83.04996	1.1
85.02930	1.0
87.00898	1.2
89.02446	2.1
95.05013	1.2
97.06591	5.1
101.02435	2.7
113.02441	2.1
145.05023	1.0
151.11276	16.6
152.11620	0.9
152.99620	0.7
153.52808	0.7
161.04471	1.2
169.12328	42.5
170.12656	2.3
194.84821	0.6
195.10213	3.2
213.11250	4.7
235.08154	1.2
241.12892	0.7
253.09253	2.0
255.23274	74.0
256.23557	6.4
303.81683	0.7
342.32889	0.6
431.19232	1.4
449.20303	2.3
517.50244	0.8
687.43182	100.0
688.43494	22.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	687.3959
Annotation	CHEBI:69613
Peak:m/z	Relative Intensity
53.33214	0.3
54.89399	0.3
57.02803	0.3
57.03436	0.8
59.01388	1.9
61.98829	51.6
62.98531	0.4
63.99255	0.6
69.26035	2.0
69.26456	1.3
70.60297	0.3
71.01383	1.6
72.99287	0.4
73.02962	0.6
74.91686	0.3
85.02940	1.9
87.00882	1.0
87.04528	0.3
88.98771	0.3
89.02462	0.8
93.03439	2.1
96.96023	1.7
97.02912	0.4
97.06625	0.5
98.20644	0.7
98.85861	0.4
98.95563	0.4
99.00864	0.3
99.04503	0.8
101.02451	1.0
108.02209	0.5
109.02953	0.4
109.06570	0.4
111.04563	0.4
113.02457	0.6
119.03481	0.4
121.02972	2.0
123.04560	0.4
123.08183	0.9
125.02447	1.1
125.09686	0.4
132.02176	0.4
134.03679	0.4
135.04536	1.0
135.08205	0.7
136.05266	0.4
137.02443	6.0
137.09749	0.6
138.02762	0.9
139.04033	0.5
147.04529	0.8
149.02441	8.9
149.06078	4.5
149.09734	0.5
150.06856	35.5
151.03975	2.3
151.07158	2.0
161.02432	1.1
161.09650	0.5
162.06883	1.0
163.04016	0.4
163.07643	7.2
164.04794	8.7
164.08414	8.4
165.05322	0.7
165.09102	0.6
171.10274	1.0
173.04530	0.7
175.00356	0.7
175.03961	0.7
176.08484	0.7
177.09152	1.2
178.10013	2.4
179.03577	0.8
179.07199	0.9
179.10767	15.8
180.11142	1.0
189.01752	0.4
190.02643	2.0
191.05620	4.7
193.08879	0.5
205.05058	1.3
206.05350	0.4
207.10306	0.6
209.11845	0.7
218.91817	0.3
223.06097	16.2
224.06427	1.3
225.11285	0.9
230.90553	0.3
233.71906	0.3
237.07690	0.5
289.07401	0.4
301.03470	0.8
343.24933	1.4
345.22723	4.5
413.20248	0.4
421.18729	1.7
446.30374	0.6
449.35168	0.3
461.32669	0.6
463.34451	0.4
464.31464	4.4
465.32034	0.6
478.32602	0.5
479.33713	8.9
480.34146	1.3
499.14450	5.8
500.14926	1.2
506.32388	1.1
507.33139	2.7
509.83865	0.3
524.33734	2.6
525.34265	25.3
526.34589	4.2
615.30487	0.4
624.27655	2.3
625.26831	0.4
651.19281	1.2
687.39539	100.0
688.39966	19.7
688.52203	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	687.3956
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	0.7
59.01376	4.6
60.99292	0.7
61.98826	76.5
62.98539	0.8
67.01865	0.4
69.03448	0.8
69.25046	1.9
69.25479	2.4
71.01376	3.3
72.99292	0.5
73.02931	1.0
75.05562	0.4
83.01383	0.9
83.04993	0.5
85.02959	3.0
87.00885	1.5
88.98790	0.9
89.02445	1.8
93.03443	2.3
95.01385	0.6
95.05038	0.5
96.96009	6.2
97.02975	0.7
97.06623	0.9
98.95583	1.9
99.00873	0.6
99.04520	1.3
101.02449	2.0
107.05013	0.6
109.02966	0.9
109.06583	1.2
111.04508	1.2
113.02422	1.0
114.15646	0.4
119.03477	0.6
119.04990	0.5
121.02955	4.1
122.03225	0.7
123.04493	1.7
123.08115	1.0
125.02436	1.9
133.02950	1.3
134.03741	3.0
134.67310	0.5
135.04547	5.1
135.08165	1.7
136.05246	0.7
137.02437	3.7
137.06053	0.5
139.04120	0.5
146.04547	0.5
148.01637	0.8
149.02414	2.4
149.06075	4.6
150.03186	2.0
150.06857	38.2
151.03978	1.2
151.07114	2.0
154.01454	0.9
154.33296	0.4
160.01642	0.7
161.02432	3.7
161.04614	0.5
161.09689	0.6
162.06848	0.6
163.04007	0.6
163.07635	9.3
164.04811	2.2
164.08417	6.4
165.01886	0.5
165.05547	1.2
167.03465	0.9
171.10254	2.0
173.04556	2.4
175.00362	1.7
175.03999	0.7
176.01134	4.4
176.08389	0.5
177.01837	0.7
177.09163	0.7
178.09978	2.3
178.69754	0.4
179.03513	2.1
179.10762	17.2
180.11107	1.2
188.04865	0.6
190.02716	4.2
191.03516	5.4
191.05603	9.1
192.05899	0.8
193.04988	3.4
197.04625	0.7
201.11307	0.5
203.07211	0.5
205.05032	5.2
206.05798	1.4
207.02957	0.5
207.10295	0.9
209.11877	2.7
221.08105	1.2
223.06120	1.9
223.09805	1.2
225.11314	1.5
237.07745	0.6
245.08281	0.5
258.01715	0.6
265.07132	1.7
289.07205	1.8
293.04526	0.4
301.03540	1.3
331.04565	0.7
343.25085	1.2
345.22745	3.5
443.19257	0.5
446.30270	0.5
464.31400	4.2
465.31482	0.7
477.32034	0.5
478.32977	1.0
479.33731	10.0
480.33966	1.1
481.24490	0.9
506.32291	1.4
507.33304	3.9
508.33841	0.6
524.33746	3.3
524.40369	0.7
525.34271	28.7
526.34558	4.4
651.30817	0.8
669.30969	0.7
687.29791	12.0
687.39734	100.0
688.30145	2.9
688.40125	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	687.3231
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	1.7
58.00598	0.6
59.01377	7.1
61.98828	5.1
67.01889	0.8
68.99839	0.5
69.03447	3.2
71.01382	9.3
71.05009	1.8
71.62144	0.6
71.62515	0.5
72.99291	1.0
73.02940	2.0
80.02684	0.9
81.03442	2.1
83.01371	2.1
83.05026	4.5
85.02957	2.8
87.00864	1.4
88.98839	0.5
89.02451	2.8
93.03436	2.2
95.01371	1.0
95.04991	1.0
96.96014	4.0
97.02950	2.2
97.06586	1.8
99.00871	3.3
101.02453	4.9
109.02940	1.3
109.06579	2.1
110.03718	0.5
111.00852	0.6
111.04498	1.3
111.08225	0.5
113.02451	2.8
119.03504	0.9
119.04927	0.5
123.08152	1.5
123.75305	0.4
125.02436	1.0
125.09714	4.3
133.02953	0.8
135.04498	1.4
135.08150	1.2
137.02431	1.4
143.03517	0.5
151.03975	0.8
151.11259	2.0
153.12811	1.1
161.02405	1.7
161.04527	1.4
161.09738	3.5
163.11269	5.3
165.12825	1.7
169.12355	0.9
171.10268	9.8
173.04504	2.9
177.01947	0.5
179.03464	0.6
179.05623	0.6
179.10759	6.6
180.11040	0.6
181.12309	4.8
185.11766	1.0
191.05592	5.7
191.10777	0.9
197.11815	46.5
198.12221	2.4
199.09744	0.8
199.13419	3.4
201.11298	1.9
205.08626	1.8
207.10257	13.2
208.10603	0.6
209.11816	45.8
210.12144	3.3
211.13199	0.5
213.11282	1.0
223.09731	3.6
223.13391	0.9
225.11305	19.4
226.11615	1.1
227.12872	4.0
234.79604	0.4
235.08275	1.5
235.13361	0.5
241.10835	3.2
243.12384	3.4
253.09245	4.4
289.07056	1.1
459.18622	0.9
461.20282	2.8
465.28662	0.9
477.19955	2.1
525.26965	1.4
578.54218	0.5
625.31342	0.6
627.34021	0.6
651.30341	2.2
669.31281	4.2
670.31476	1.0
687.32208	100.0
688.32660	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	687.3234
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01851	1.3
57.03419	2.9
58.00587	1.2
59.01376	15.0
61.98823	14.3
68.99809	2.2
69.03432	1.8
69.60361	3.6
69.60774	3.1
71.01374	18.0
72.99265	3.3
73.02905	4.0
75.00854	1.3
76.73248	1.2
80.02615	1.2
80.53818	1.0
81.03410	2.9
83.01329	2.4
83.05025	7.6
84.02138	1.9
85.02948	6.4
87.00875	5.1
87.08528	1.0
88.98750	1.4
89.02428	9.2
89.85281	1.1
93.03437	5.6
95.01340	1.8
95.04977	2.7
95.08797	0.9
96.96007	12.2
97.02920	2.2
97.06519	3.1
98.19875	1.8
99.00825	2.2
101.02435	8.5
107.04978	1.4
109.02913	2.2
109.06506	4.0
110.03693	1.3
111.04511	8.8
111.08124	1.0
113.02436	5.0
115.82910	1.0
119.03395	2.8
121.02956	1.8
123.04429	3.4
123.08082	1.2
125.02361	4.5
125.06004	1.9
125.09718	5.6
127.03886	1.1
127.11190	1.5
133.02893	1.5
134.03641	1.1
135.04524	5.0
135.08044	2.9
136.05174	1.5
137.02318	3.7
140.18146	1.1
143.03410	1.2
145.05046	1.2
147.04515	9.4
149.02325	1.3
149.06062	1.1
151.03876	1.6
151.11177	2.6
153.09113	2.0
153.12715	1.3
160.01578	1.1
161.02478	5.0
161.04433	2.8
161.09689	4.9
162.06778	2.1
163.07552	1.9
163.11305	7.9
165.01877	1.2
165.05528	8.7
165.12659	2.3
169.12312	11.7
171.10254	50.3
172.10487	2.1
173.04378	3.8
175.03915	1.2
177.01851	2.5
177.09056	4.6
179.03398	1.8
179.05493	1.9
179.10764	8.4
181.12286	1.9
185.11682	2.6
191.04013	1.1
191.05591	18.6
191.10725	2.7
195.10149	1.0
197.11809	25.9
199.09729	2.2
199.13205	1.7
201.11340	5.6
205.04951	1.3
205.08752	5.0
207.10265	12.7
209.11815	100.0
210.12158	5.3
213.11147	3.6
215.12685	1.1
223.09738	23.1
224.09920	1.2
225.11310	21.3
226.11514	1.4
227.12877	15.7
235.08243	5.1
235.09999	1.1
235.13190	0.9
241.10501	3.0
253.09273	12.9
289.07040	2.3
297.13120	1.2
301.03195	3.4
301.06662	1.2
331.04318	1.2
373.45993	1.1
397.19958	1.8
407.19061	2.3
415.20953	1.5
443.19043	2.4
445.20880	1.6
459.18155	3.5
461.19724	4.0
481.27521	1.7
482.27792	2.2
483.28558	6.1
524.29187	1.6
525.28931	2.6
606.22791	2.3
615.29303	3.0
627.33557	1.5
633.28900	2.3
643.28479	1.9
645.33899	1.1
651.29694	6.6
652.29803	1.6
657.38898	1.3
669.30908	9.6
670.30975	1.9
687.31262	55.8
688.32196	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	687.2866
Annotation	Unknow
Peak:m/z	Relative Intensity
50.18084	0.5
51.09167	0.4
55.01863	2.0
57.03440	1.3
58.00579	0.8
59.01376	18.9
69.76701	1.0
69.77004	3.1
71.01376	22.3
71.05003	1.3
72.99326	0.7
73.02937	5.4
83.01371	2.0
85.02946	9.0
86.00098	0.7
87.00870	6.2
89.02439	14.4
93.03448	1.2
95.01383	1.7
95.05022	3.9
96.96037	0.7
97.02953	4.8
98.20607	0.9
98.48393	0.5
99.00883	2.4
99.34985	0.5
100.11859	0.5
101.02441	15.2
109.02923	3.4
110.03421	0.6
111.00893	0.7
113.02444	11.6
115.03988	0.8
118.25848	0.6
119.03477	4.2
125.02440	2.1
129.81026	0.5
131.03479	6.8
137.02438	1.5
139.04008	12.5
143.03471	1.6
153.01926	10.5
154.02266	0.7
155.36099	0.5
159.02921	1.5
161.02493	0.7
161.04543	10.0
165.01917	4.8
173.04549	0.8
179.04131	0.6
179.05571	3.9
183.02980	22.3
184.03323	0.8
191.05592	9.7
221.06664	10.4
263.07889	1.0
301.18054	7.1
302.18497	0.7
315.19568	1.2
319.04565	5.3
319.19266	2.6
481.24200	2.3
505.24698	0.7
643.29657	100.0
644.30035	17.3
674.54333	0.6
708.94379	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	687.2867
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	1.5
57.03450	0.8
58.00603	1.0
59.01377	31.3
68.34309	0.7
69.43751	5.9
71.01380	24.4
72.99314	3.6
73.02940	6.1
75.00853	0.9
79.95738	1.4
81.03464	1.0
83.01379	3.1
85.02951	10.2
87.00859	3.5
87.04514	1.2
89.02444	15.1
93.03448	2.4
95.01379	2.0
96.95987	2.9
98.19836	1.3
99.00885	1.3
101.02440	16.0
103.03991	1.3
109.02959	1.5
113.02453	7.9
115.04012	1.5
119.03485	6.4
123.04533	1.2
125.02415	2.1
131.03523	4.1
135.04474	1.7
137.02458	1.4
139.20869	0.7
142.06581	3.2
143.03467	3.0
143.06993	1.3
150.52393	0.7
158.06082	2.7
159.03001	1.0
159.06445	1.4
161.02475	1.1
161.04480	2.6
163.04137	1.0
165.01918	0.8
173.04495	2.2
175.03941	1.1
177.01984	0.9
179.03465	0.9
179.05551	1.8
186.05568	1.8
191.03780	0.9
191.05588	18.0
204.06596	6.4
205.07014	5.6
222.02223	2.0
226.18701	0.8
234.04135	1.6
247.06432	2.1
257.19189	1.4
284.02304	12.9
285.02530	8.5
286.01990	1.3
287.05200	1.0
289.07095	2.2
301.18030	1.7
317.17529	1.3
339.60480	0.8
397.18317	1.6
415.17841	1.7
463.23447	3.2
487.98999	0.7
643.29651	100.0
644.30017	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	687.1563
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	0.6
61.98828	6.2
71.01389	1.0
85.02960	0.6
85.71813	0.4
93.03458	0.8
95.01411	0.4
96.95979	1.1
105.34072	0.5
108.02184	0.6
109.02959	1.9
121.02949	12.4
122.03275	1.4
125.02440	1.3
133.02950	0.6
135.04504	1.0
137.02429	1.1
149.02443	0.8
150.06863	3.5
150.99307	0.4
151.00331	2.4
161.02434	2.6
163.07613	1.6
164.08426	0.8
171.10252	0.6
174.03180	0.6
175.04015	0.5
179.03439	0.6
179.10809	2.1
187.03880	0.6
190.02724	0.6
191.05609	2.5
203.03487	0.5
209.11784	0.7
215.03514	0.9
216.04207	0.5
225.11327	0.5
227.03511	1.9
229.01408	0.6
229.04997	0.8
230.02107	0.5
243.02904	2.3
244.03590	0.6
255.02887	0.5
257.04523	0.6
258.01663	31.3
259.02399	13.5
260.02710	0.9
269.04645	0.5
270.99969	0.4
271.02451	21.7
272.03226	32.1
273.03970	10.9
283.02405	2.7
285.00497	1.8
285.04019	6.7
287.02042	3.6
297.03888	0.6
298.01288	0.9
299.01910	1.0
300.02820	0.8
301.03506	85.5
302.03864	6.2
304.02246	2.5
311.02075	0.7
313.03488	8.5
314.03830	0.6
315.04977	0.8
325.03497	0.8
329.03052	0.6
331.04556	47.3
332.04800	3.6
343.04651	2.0
345.22827	0.5
361.05829	0.7
385.05634	1.8
403.06644	30.9
404.07037	3.5
463.08759	12.1
464.09418	1.3
464.31354	0.5
479.33685	0.9
493.09579	0.5
506.32516	0.6
507.33151	0.8
524.33362	1.0
525.10321	100.0
525.33429	2.7
526.10675	13.8
565.11517	0.6
567.11316	0.6
671.16571	0.6
687.15790	10.9
687.28961	1.2
687.39673	13.4
688.15747	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	686.2662
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	0.3
59.01372	0.7
60.91217	0.1
61.98826	100.0
69.72227	0.9
71.01405	0.7
71.01723	0.1
73.02940	0.1
83.01407	0.2
85.02946	0.5
88.98808	0.2
89.02446	0.3
91.01908	0.2
93.03457	3.3
96.95993	1.6
98.19877	0.3
98.95581	0.2
101.02478	0.3
109.02950	0.3
113.02457	0.3
117.03407	0.2
119.03508	0.2
119.05015	0.2
121.02946	1.1
123.00866	0.1
125.02412	0.3
133.02977	0.3
135.04526	0.6
137.02435	11.0
138.02802	0.1
147.04521	0.3
149.02426	5.0
149.06058	0.4
150.06853	4.1
151.04010	1.3
153.01958	0.2
161.02438	0.8
161.23946	0.1
162.06841	0.2
163.03995	0.3
163.07648	0.9
163.11308	0.2
164.04779	4.8
164.08383	0.8
167.03543	0.3
173.04579	0.3
175.00383	0.5
178.10004	0.2
179.03517	0.4
179.07143	0.6
179.10745	1.7
190.02678	1.1
191.05586	1.2
195.81837	0.2
205.05040	1.2
207.10333	0.2
209.11928	0.2
223.06096	8.6
225.11334	0.2
239.19292	0.1
301.03348	0.2
345.22906	0.5
421.18469	0.6
464.31619	0.5
478.32834	0.2
479.33527	0.9
499.14600	3.4
506.32602	0.2
523.32129	0.2
524.33356	0.5
525.34265	2.9
623.27063	4.5
624.27521	0.9
651.19592	1.1
651.29657	0.3
685.38550	0.3
686.27924	0.2
686.38354	1.2
687.39581	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	685.3803
Annotation	Unknow
Peak:m/z	Relative Intensity
50.89085	0.3
54.25237	0.3
55.82066	0.3
59.01371	1.7
59.95620	0.3
61.98827	100.0
62.98518	0.3
71.01379	1.1
72.99335	0.3
73.02950	0.4
81.83039	0.3
82.72728	0.3
85.02960	1.4
85.59011	0.4
87.00894	1.3
93.03474	1.3
96.96024	3.0
97.06576	0.5
99.04498	0.4
101.02467	0.5
111.08163	0.7
113.02431	0.6
121.02952	16.7
122.03270	2.3
123.03438	0.3
123.08163	1.0
129.05510	0.3
133.02943	3.2
134.03720	0.4
135.04512	2.5
135.08118	0.4
137.02434	1.2
141.09222	0.4
149.06068	0.5
150.06859	11.9
151.07291	0.3
157.08736	0.9
161.02432	10.0
162.02855	0.3
162.06918	0.4
163.03976	0.4
163.07655	4.4
164.08405	2.3
165.08946	0.4
171.10312	0.4
173.04533	0.9
178.09958	0.6
179.03429	1.4
179.09254	0.2
179.10753	6.4
187.09697	0.6
191.05597	6.2
192.05937	0.3
229.10760	0.7
235.77754	0.4
293.88452	0.3
299.18454	0.3
313.20245	0.4
320.20029	0.5
341.23340	0.9
343.21158	2.0
353.08804	1.4
364.22504	1.0
393.26697	0.4
441.30325	0.3
462.29834	0.7
476.31494	1.1
477.31842	2.3
492.30847	0.5
493.31339	0.7
503.24377	0.9
504.31104	1.5
505.31326	1.8
522.31964	4.1
523.32684	9.2
523.40558	0.5
524.33173	2.2
639.24237	0.6
667.23779	1.9
685.37970	58.8
686.28961	0.5
686.38391	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	685.3799
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03428	0.5
59.01376	1.8
59.71639	0.3
61.98828	1.5
71.01369	1.2
71.61391	0.4
75.42564	0.3
85.02943	0.5
87.00862	1.2
89.02431	0.6
93.03442	0.4
95.05035	0.4
96.67635	0.4
96.96000	1.0
97.06587	0.4
99.04502	0.7
101.02420	0.6
111.08199	0.3
113.02434	0.6
114.04247	0.3
119.05013	1.2
123.08144	1.3
133.02930	0.6
135.08128	0.4
136.05232	0.3
137.09647	0.5
141.09158	0.4
145.02931	0.4
149.06050	1.1
149.78082	0.3
150.06857	31.0
151.07245	1.4
155.10672	0.3
156.23927	0.3
157.08662	0.6
161.02437	0.9
162.06860	0.5
163.04005	2.4
163.07622	5.1
164.08409	5.3
165.08832	0.3
176.08292	0.5
177.09140	0.7
178.09941	1.4
179.10764	15.9
180.11099	0.6
187.09822	0.4
191.05569	0.8
193.08617	0.4
201.43083	0.3
229.10785	0.7
320.19846	1.0
335.22192	1.0
341.23334	0.5
343.21143	3.3
364.22430	1.3
379.38351	0.4
441.30109	0.6
452.86713	0.3
459.31061	0.9
462.29660	1.4
476.31448	0.6
477.32211	5.5
478.31894	0.6
504.30844	0.8
505.31458	1.8
506.31818	0.4
522.31812	1.9
523.32709	21.4
524.33063	3.3
649.28577	1.4
685.37964	100.0
686.38330	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	685.3798
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	0.7
59.01359	2.1
61.98827	6.3
69.71862	3.2
71.01374	1.6
71.02245	0.6
78.47559	0.6
80.44293	0.5
85.02950	1.1
85.72394	0.6
87.00845	0.5
89.02445	1.0
96.96004	3.9
97.06605	1.0
99.04495	0.7
99.58397	0.5
101.02419	1.3
108.02174	0.6
113.02414	0.9
121.02914	0.9
123.08113	1.0
133.02972	3.5
135.04520	7.3
135.08028	0.6
141.09039	0.6
149.06078	1.5
150.06856	27.6
151.07396	0.7
151.63356	0.6
161.02434	11.9
163.07634	5.8
164.08412	4.7
168.46259	0.6
177.09119	0.7
179.03397	0.6
179.09309	1.1
179.10767	11.8
180.10973	0.7
191.05518	1.2
229.08615	0.6
229.10800	1.7
237.07619	1.6
241.08202	0.5
285.17313	0.6
292.20551	0.7
320.19971	2.0
335.22125	0.8
343.21371	3.2
343.63068	0.6
364.22464	1.8
441.30225	0.7
459.31015	0.9
462.29880	1.4
477.32196	5.1
478.32962	0.9
504.31033	1.0
505.31464	2.2
522.31842	2.7
523.32697	21.8
524.32892	3.9
623.19299	0.6
685.37946	100.0
686.38342	24.5
699.88831	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	685.3798
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	4.6
61.98522	1.1
61.98826	15.2
69.03476	0.7
71.01373	4.8
71.05012	0.7
71.62402	1.0
72.99301	1.1
73.02952	1.6
75.00874	1.5
79.07319	0.5
79.95736	0.9
83.05045	0.7
85.02944	2.0
87.00869	0.9
88.98786	0.7
89.02436	2.2
93.03449	1.2
96.96008	4.3
99.00867	0.8
99.04492	1.8
101.02438	2.8
106.62367	0.6
109.02924	0.8
109.06590	0.8
111.04546	0.7
111.08150	0.9
113.02438	1.6
117.03474	0.8
119.05019	9.5
121.02940	3.5
123.04495	0.6
125.02430	1.2
125.09664	0.8
133.02950	2.1
135.04509	1.8
137.02438	2.9
145.02942	1.9
146.76651	0.6
147.04543	1.6
149.02357	0.7
149.06073	3.2
150.06857	32.1
151.04019	1.0
151.07257	2.0
153.01933	1.0
153.09204	0.7
155.04897	0.6
161.02437	7.4
161.09747	0.7
162.06836	1.6
163.04002	14.0
163.07631	6.3
163.11308	1.0
164.04285	0.8
164.08385	6.5
165.05606	1.4
165.09129	2.3
171.10249	1.6
173.04520	1.7
173.08145	1.0
176.08499	0.9
177.09143	1.4
178.09996	2.1
179.03535	2.0
179.07076	0.7
179.10750	12.7
191.05600	4.2
197.11769	0.7
207.10202	0.7
209.11855	0.9
213.62900	0.6
215.40700	0.6
225.11345	2.5
249.18680	1.0
253.09375	0.9
313.20126	2.3
319.22720	0.9
337.20300	1.3
341.23187	1.0
343.21115	1.1
357.22635	3.0
414.27670	0.8
429.30005	1.7
432.28912	1.4
460.31906	1.2
462.29819	1.9
463.26498	1.1
474.79013	0.7
475.30438	1.0
476.31714	0.9
477.31940	4.3
481.28076	9.0
482.28421	1.1
493.31570	8.0
494.32230	1.4
505.31409	0.9
522.32025	2.1
523.33502	11.0
524.32666	1.9
621.13806	0.6
625.38428	1.2
649.28699	7.3
650.28619	1.9
685.38062	100.0
686.26086	1.1
686.38306	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	683.3278
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	1.7
59.01377	6.7
61.98824	3.9
63.42910	0.7
69.03452	4.7
71.01381	5.4
71.05002	2.0
71.18948	1.6
78.76089	0.6
81.03448	0.6
83.01390	0.6
83.05033	0.7
85.02946	2.0
87.00871	1.2
87.18583	0.6
89.02451	3.1
92.26395	0.6
93.03450	1.6
96.95985	1.2
97.06551	1.1
101.02441	4.2
103.66530	0.6
109.02937	0.7
113.02432	2.4
119.03491	0.8
123.04494	1.0
123.08150	1.0
125.02374	0.9
125.09698	2.5
133.02960	1.9
135.04514	1.7
137.02461	0.7
151.11276	1.7
153.12846	0.9
161.02396	1.2
161.04578	1.5
161.09686	2.8
163.04039	0.7
167.10744	1.7
173.04520	1.1
179.10759	7.7
179.14328	1.4
185.11816	0.8
191.05579	2.8
195.13866	6.7
197.11812	56.4
198.12141	3.0
205.12274	5.1
206.12733	0.8
207.10283	1.0
209.11784	3.0
210.25333	0.8
223.09883	1.1
223.13371	22.3
224.13728	1.4
225.11395	0.6
237.15089	1.5
241.10800	2.8
242.95888	0.6
250.05392	0.6
253.09387	3.0
260.69937	0.8
374.06180	1.3
375.06992	2.7
390.88803	0.7
477.19604	2.4
491.20493	2.0
503.33881	6.4
665.33142	0.8
683.32825	100.0
684.33069	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	683.2919
Annotation	Unknow
Peak:m/z	Relative Intensity
52.44432	0.2
57.03426	0.2
59.01377	1.2
61.98822	1.0
69.36383	0.2
71.01381	0.9
73.02953	0.4
73.77586	0.2
77.03374	0.1
77.03970	0.4
78.35647	0.1
78.52901	0.2
83.05033	0.2
84.69509	0.1
85.02941	0.6
87.00885	0.2
89.02431	0.5
93.03451	1.0
95.05061	0.2
96.96008	7.5
98.19917	0.4
101.02430	0.6
102.76614	0.2
105.03432	0.4
108.02175	0.2
109.02943	0.4
111.04506	0.4
113.02437	0.3
113.03591	0.2
114.01927	0.2
119.03494	0.2
119.05041	0.2
121.02950	100.0
122.02485	0.3
122.03275	3.2
123.04551	0.3
125.02461	0.4
131.04646	0.3
133.02962	3.2
135.04543	1.3
136.04767	0.2
137.02458	1.0
151.00385	0.2
151.03986	0.2
155.03461	0.2
161.02422	2.0
163.04039	0.2
173.04489	1.1
175.03932	0.3
177.01933	1.1
179.03503	1.0
180.03926	0.2
181.05092	0.4
191.05603	2.9
192.05914	0.3
209.11810	1.3
227.12891	0.7
245.04604	0.2
255.79857	0.2
258.01526	0.2
289.07059	0.4
301.03333	0.3
351.07205	0.4
353.08765	0.2
501.23572	0.6
509.21677	0.6
623.26978	1.1
623.36731	0.4
641.37506	0.2
683.27368	1.4
683.38110	0.3
684.28638	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	683.2914
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01370	1.0
61.98826	43.9
70.75948	0.8
70.80900	0.3
71.01381	1.0
72.99311	0.4
73.02953	0.6
76.11792	0.3
77.03957	0.4
85.02936	0.8
85.18814	0.2
87.00886	0.6
89.02438	0.9
90.40132	0.2
93.03442	1.8
96.96017	1.2
99.00867	0.6
101.02422	0.6
106.87787	0.3
111.04464	0.3
113.02423	0.6
116.92829	0.3
121.02948	100.0
122.03285	4.5
123.04494	0.3
125.02449	0.3
128.55055	0.3
131.03406	0.3
133.02904	1.3
134.03749	1.7
135.04579	2.2
137.02386	0.4
161.02414	2.1
163.03987	0.3
173.04533	1.0
177.01918	0.3
179.03456	1.0
191.05534	2.1
193.05034	1.8
194.05334	0.9
195.05516	0.5
215.05534	0.3
233.06520	0.4
236.19473	0.2
283.26822	0.2
335.35526	0.3
346.75027	0.3
351.07275	0.5
441.87540	0.3
501.23407	7.5
502.23492	0.8
615.96124	0.4
623.26825	2.9
624.27002	0.8
631.25458	0.3
683.28235	1.1
683.37103	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	683.2914
Annotation	Unknow
Peak:m/z	Relative Intensity
55.13732	0.5
59.01389	4.1
61.98838	0.5
70.42648	1.0
70.43017	1.2
71.01389	4.2
73.02949	1.3
83.01360	0.7
85.02956	2.1
89.02435	2.0
91.05561	0.6
93.03471	0.8
96.96000	2.6
98.19917	0.7
101.02448	2.7
105.03403	0.7
107.05050	2.1
113.02498	0.8
117.03461	2.3
132.02164	0.8
133.02953	16.6
134.03763	8.4
135.04515	100.0
136.04836	4.1
153.01862	0.7
161.02429	45.1
162.02789	1.9
173.04578	0.7
179.03485	54.9
180.03851	2.1
191.05605	3.5
274.63974	0.7
327.72107	0.6
349.56442	0.6
409.37793	0.8
546.12988	0.6
616.06982	0.6
683.29083	82.5
684.29480	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	681.3978
Annotation	Unknow
Peak:m/z	Relative Intensity
58.39794	9.5
61.98832	100.0
71.30782	15.4
77.06019	9.8
83.62880	10.8
124.92982	9.3
140.31973	10.2
206.57181	11.3
296.11273	10.0
321.17090	13.4
362.42920	11.5
622.52020	11.1
662.07434	10.4
681.39795	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	681.4058
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	0.9
57.03441	1.0
58.00592	1.8
59.01374	36.4
60.01709	0.3
61.98826	9.8
64.92732	0.2
68.99807	0.6
69.03457	2.4
71.01376	37.0
71.62558	0.4
72.01723	0.4
72.99306	3.1
73.02937	5.9
75.00877	0.6
75.45735	0.2
81.03456	1.6
83.01375	3.7
83.05024	0.5
85.02943	7.0
86.00078	0.3
87.00870	8.9
89.02437	32.3
90.02789	0.5
91.04012	0.6
93.03440	0.4
95.01376	2.8
95.04995	0.3
97.02943	5.6
99.00857	1.9
99.04554	0.3
101.02435	30.1
102.02779	0.6
102.16409	0.2
103.04008	0.5
103.12415	0.3
109.02941	0.6
111.00885	0.8
111.04499	1.1
113.02442	15.0
114.02796	0.3
115.03980	0.7
119.02618	0.6
119.03489	9.7
120.03843	0.4
121.02933	0.8
123.00829	0.5
123.04494	0.3
124.01675	0.4
125.02435	11.5
126.02745	0.5
127.04008	0.5
131.03485	1.6
133.05043	1.4
137.02431	0.3
139.04016	1.1
141.01956	0.7
143.03487	6.2
144.81302	0.2
145.05022	0.2
149.02409	0.3
149.04559	1.0
160.85925	0.3
161.04541	6.6
167.03452	1.0
169.04988	0.3
171.02988	0.3
179.05591	6.1
180.05960	0.3
185.04552	0.7
191.32790	0.2
199.06018	0.5
203.05623	0.5
217.07100	1.0
219.04994	0.3
221.06670	2.3
235.08192	16.0
236.08582	0.7
245.06653	0.9
253.09259	3.3
263.07675	1.5
277.09311	0.9
283.26389	96.8
284.26715	9.8
287.07697	3.7
288.08105	0.3
297.27957	0.8
305.08759	4.9
323.09753	2.3
361.11288	0.5
379.12469	1.2
397.13458	100.0
398.13779	8.1
415.14514	34.9
416.14786	3.0
681.40399	0.9
682.41052	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	681.276
Annotation	Unknow
Peak:m/z	Relative Intensity
55.26349	0.3
59.01381	3.5
61.98822	0.6
69.06119	0.3
71.01378	3.7
71.31109	0.3
73.02943	0.8
80.09654	0.3
83.01379	0.3
85.02956	1.4
87.00878	0.6
89.02431	2.2
89.03945	0.5
96.96001	0.6
98.20738	0.6
99.00854	1.8
101.02435	2.2
107.05022	2.3
108.02187	0.4
113.02473	0.7
117.03468	1.1
119.03486	0.4
123.04558	0.5
125.02418	0.6
132.02148	0.7
133.02951	15.5
134.03751	7.7
135.04518	100.0
136.04849	4.9
138.05623	0.6
149.04622	0.5
152.08440	0.4
161.02434	42.5
162.02763	2.1
173.04494	0.4
179.03485	59.0
180.03842	3.1
189.01917	0.6
191.05577	1.7
195.41971	0.3
339.04825	0.4
387.19830	0.4
519.24268	0.4
681.27527	74.4
682.27936	14.8
682.37616	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	681.3119
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10329	0.2
53.03107	0.3
57.03476	0.3
59.01372	2.2
61.98823	1.7
69.38087	0.5
69.38495	1.5
71.01371	2.7
72.99320	0.3
73.02927	1.2
80.05145	0.2
80.18819	0.2
83.01425	0.7
85.02946	1.8
87.00867	0.4
89.02483	0.7
89.03944	1.5
93.03487	0.7
95.01385	0.4
96.96005	2.4
96.96474	0.2
99.00878	0.3
101.02430	2.3
106.04259	0.4
109.02944	0.3
113.02416	1.2
117.03452	4.0
118.03856	0.2
121.02993	1.2
123.04551	0.3
125.02445	0.7
132.02145	1.9
133.02942	0.4
134.03728	79.0
135.04138	2.3
137.02454	0.8
139.04037	0.3
143.03391	0.3
145.12614	0.2
149.02385	0.3
149.06070	6.1
150.06395	0.4
151.04080	0.4
160.01648	9.3
161.02466	1.5
161.04558	0.3
173.04521	1.0
175.03976	8.8
175.05469	0.4
176.04324	0.3
178.02612	0.6
179.03516	1.2
191.05585	4.0
193.05031	100.0
194.03653	0.3
194.05371	4.8
302.74045	0.3
561.13367	0.6
681.29541	12.5
682.30499	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	681.2757
Annotation	Unknow
Peak:m/z	Relative Intensity
51.79073	0.4
59.01374	3.5
59.99796	0.4
70.36462	1.8
71.01377	4.3
73.02955	0.8
79.95733	0.8
80.48047	0.4
85.02934	1.3
89.02456	2.5
92.37482	0.4
93.03477	1.1
96.96005	15.3
98.95586	1.4
99.00874	1.3
101.02426	1.9
107.05025	1.9
113.02453	1.2
117.03461	1.1
119.49914	0.5
125.02406	0.5
132.02135	0.8
133.02948	13.2
134.03758	7.6
135.04517	100.0
136.04829	3.7
137.02505	0.6
161.02432	41.0
162.02795	2.6
168.77652	0.4
173.04614	0.7
173.48399	0.5
175.03928	0.6
179.03477	59.3
180.03835	2.7
184.72501	0.5
191.05582	1.7
225.59906	0.6
231.06982	1.1
248.46121	0.5
316.46796	0.5
365.17816	1.4
374.96417	0.5
389.16400	0.5
389.30331	0.5
501.12195	0.6
561.13867	1.0
631.20795	0.5
681.27582	69.5
682.27930	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	681.2757
Annotation	Unknow
Peak:m/z	Relative Intensity
51.77133	0.2
57.25628	0.2
59.01379	2.2
59.38978	0.2
65.11966	0.2
70.42295	0.9
71.01385	2.0
73.02934	0.8
78.81045	0.2
79.05991	0.2
85.02942	0.6
89.02444	1.8
89.03981	0.5
91.05526	0.7
93.03416	0.3
96.96023	0.5
98.42847	0.2
99.00885	0.8
101.02449	0.8
106.04240	0.3
107.05020	2.0
107.98675	0.2
109.02959	0.2
113.02430	0.6
117.03465	1.5
123.04526	0.3
123.08159	0.9
125.02416	0.5
132.02162	1.0
133.02959	16.2
134.03754	8.1
135.04520	100.0
136.04851	4.2
137.02414	0.4
143.40721	0.2
149.04465	0.2
151.03867	0.2
161.02438	42.5
162.02791	1.8
163.03995	0.3
163.11313	0.6
173.04587	0.3
179.03491	54.1
180.03821	2.3
189.12819	0.8
191.05617	1.2
207.13899	0.9
221.66234	0.2
258.73248	0.2
265.04840	0.2
349.09665	0.3
353.08597	0.3
353.13660	0.3
525.10565	0.3
625.85797	0.3
653.43433	0.2
681.27551	66.7
682.27917	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	681.2387
Annotation	Unknow
Peak:m/z	Relative Intensity
50.32005	0.2
55.74131	0.3
59.01374	1.1
61.98828	0.6
69.66802	1.5
71.01377	0.7
73.02949	0.5
85.02950	0.9
87.00875	0.5
93.03464	1.1
95.01351	0.4
96.96011	2.3
101.02428	0.5
103.05562	1.3
105.07084	1.4
109.02939	0.4
111.04521	0.5
113.02375	0.3
115.05520	0.6
115.59409	0.3
118.04237	0.6
119.05016	0.7
121.02960	0.5
122.80097	0.3
125.02468	0.4
131.05017	2.0
131.05867	0.3
133.02881	0.4
133.06581	3.4
134.03722	0.6
135.04491	0.7
137.02429	0.4
147.04456	1.6
149.02313	0.3
149.06036	0.5
151.03990	0.4
161.02417	1.2
166.02698	0.7
173.04500	0.5
175.03928	0.3
177.05574	0.9
179.07120	0.8
191.05600	6.4
192.05899	0.7
220.32359	0.3
222.05362	1.1
225.11269	0.4
232.20831	0.3
237.07658	100.0
238.05573	0.3
238.08006	5.9
289.07132	0.3
328.02036	0.5
343.04486	0.7
361.81049	0.3
376.05814	0.3
383.13364	0.7
405.06174	0.9
469.41113	0.3
471.23248	0.3
561.14215	1.2
605.62756	0.3
681.18237	1.1
681.28918	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	680.3798
Annotation	Unknow
Peak:m/z	Relative Intensity
58.24254	0.1
61.98826	100.0
62.98522	0.1
65.48653	0.1
70.75971	0.2
98.20640	0.1
161.02495	0.2
179.03392	0.1
183.87770	0.1
234.88899	0.1
430.22034	0.1
680.30676	0.1
682.76715	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	680.3799
Annotation	Unknow
Peak:m/z	Relative Intensity
53.11050	0.2
55.24791	0.2
57.91441	0.2
60.44424	0.2
61.98828	100.0
66.70602	0.2
70.94614	0.4
77.83433	0.2
98.20048	0.3
116.47087	0.2
161.02396	0.3
183.97977	0.2
191.05634	0.2
191.43268	0.2
202.57321	0.2
210.89378	0.2
294.03226	0.2
672.94653	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	681.1667
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01370	1.1
69.54186	0.6
69.54598	1.3
71.01376	0.8
72.99295	0.7
73.02943	0.3
75.00865	3.2
85.02934	1.3
87.00867	13.7
89.02415	0.7
91.05519	0.3
93.03446	0.9
98.20641	0.5
99.00871	2.6
101.02422	1.1
105.01928	17.5
106.02242	0.3
107.05019	0.5
109.02922	0.3
113.09321	0.2
117.01914	0.7
117.03368	0.3
127.03990	0.3
129.01894	0.6
130.26410	0.3
133.02937	1.5
134.03770	2.1
135.04515	31.0
136.04778	1.4
137.02409	0.3
139.40417	0.3
147.02994	3.5
161.02432	0.8
165.04027	100.0
166.04376	2.8
173.04581	1.4
177.01781	0.3
178.02200	0.4
179.03476	21.2
180.03818	1.2
180.24561	0.3
191.05589	21.6
192.05968	0.9
209.04510	0.7
312.08368	0.3
327.07172	29.9
328.07523	2.6
329.09137	0.3
353.08734	3.4
355.61081	0.3
566.74896	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	679.3893
Annotation	Unknow
Peak:m/z	Relative Intensity
51.07296	0.5
55.01880	1.2
57.03428	1.1
58.00583	1.5
59.01377	35.0
61.05541	0.5
61.98827	6.8
68.99773	0.5
69.03456	2.3
71.01377	33.8
72.45694	0.4
72.99299	2.9
73.02950	5.4
73.21402	0.5
75.00861	0.8
78.95922	1.1
80.96477	0.6
81.03436	2.0
83.01389	3.6
85.02952	7.0
86.00099	0.7
87.00870	8.4
89.02441	32.5
90.02752	0.8
93.03433	0.8
95.01374	2.1
96.96955	0.5
97.02943	7.2
99.00848	1.9
101.02435	29.1
109.02956	1.3
111.00903	0.5
111.04501	1.1
111.93745	0.5
113.01710	0.9
113.02448	14.8
113.59893	0.5
115.03959	0.6
119.03490	9.8
123.04503	0.9
125.02436	15.3
126.22176	0.4
131.03488	1.4
133.05008	1.2
137.02441	1.0
139.04010	1.1
141.01950	0.7
143.03496	4.3
149.02406	0.5
149.04532	1.7
150.03172	1.5
157.05006	0.5
161.02467	1.2
161.04530	8.3
164.01041	0.5
165.01924	0.7
167.03436	0.7
169.04884	0.6
171.02983	0.6
179.05598	6.3
179.82443	0.5
185.04544	0.6
188.75128	0.4
191.05577	1.0
201.42856	0.5
217.07056	0.8
221.06606	1.9
229.59024	0.6
235.08214	14.1
245.06546	0.8
253.09355	2.7
255.23318	1.0
263.07571	1.4
277.09198	1.0
281.24826	98.2
282.25153	8.4
287.07730	3.7
289.07098	1.3
295.26367	1.0
305.08740	4.4
323.09833	1.6
361.11328	0.6
379.12299	1.6
397.13455	100.0
398.13837	7.3
403.81680	0.6
415.14514	36.3
416.14862	3.2
431.24481	2.3
679.38873	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	679.3695
Annotation	2-(beta-D-glucopyranosyloxy)-3,16,20-trihydroxy-9-methyl-19-norlanosta-5,24-diene-22-one
Peak:m/z	Relative Intensity
58.00569	0.3
59.01373	5.1
59.46516	0.3
60.99311	0.8
61.98826	3.0
63.77947	0.3
69.54780	1.3
71.01371	2.5
71.05000	0.8
72.99305	0.3
73.02934	0.3
75.34994	0.2
83.01402	0.4
83.05013	0.5
85.02946	1.2
87.00879	0.5
88.98797	0.5
89.02438	1.4
93.03446	0.9
95.01380	0.4
96.95998	4.7
101.02415	1.8
109.02938	0.5
112.21082	0.3
113.02430	0.9
119.03532	0.4
125.02390	0.4
135.04517	0.5
137.02411	1.7
151.04083	0.4
161.02409	0.6
169.12349	0.3
171.10268	0.4
173.04504	0.6
177.01944	0.3
189.01962	0.4
191.05579	6.7
209.11784	0.4
217.42043	0.3
245.49712	0.3
391.30142	0.9
395.29449	0.3
407.29562	3.2
408.29755	0.6
423.29117	0.8
425.30533	1.5
437.30661	2.5
451.28207	4.3
452.28845	0.5
453.29898	1.2
455.31641	6.8
456.31952	1.1
461.24597	0.3
465.30023	0.3
469.29477	20.3
470.29749	2.6
483.30255	0.3
499.30585	1.4
511.30579	2.2
512.31085	0.4
517.31628	7.4
518.31671	0.8
559.33154	0.6
631.35211	0.6
647.32538	0.4
679.36926	100.0
680.37219	20.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	679.3695
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	5.2
58.00579	2.2
59.01375	25.4
60.61347	1.2
61.98834	9.2
67.01897	1.5
71.01379	24.5
71.05025	1.7
71.61808	1.7
71.85026	1.2
72.99313	5.3
73.02945	2.5
75.00871	6.3
79.95722	1.9
82.95423	1.4
83.01382	1.6
83.05068	1.4
84.95124	2.5
85.02946	32.7
86.03285	1.8
87.00871	4.4
89.02438	8.3
89.03967	1.4
90.93642	1.3
91.69423	1.4
93.03463	5.4
95.01387	8.5
96.96001	40.6
98.95592	1.4
99.00853	10.2
101.02423	7.0
101.23901	1.4
103.00388	5.0
108.02190	2.7
109.02946	6.4
111.00906	2.1
113.02436	55.3
114.56709	1.3
115.00359	1.8
116.92910	1.8
117.01908	2.3
117.03481	3.5
119.03524	2.5
119.04977	1.4
121.03017	1.8
123.04549	1.9
125.02460	2.5
129.01985	1.9
132.02151	2.1
133.02977	4.0
134.03734	85.1
135.04584	9.9
137.02458	4.5
139.00421	1.7
149.02458	1.5
149.06027	6.5
151.04036	2.6
152.01192	1.3
153.01932	3.7
155.96263	1.4
160.01675	7.7
161.02451	12.9
161.04581	1.8
162.02797	1.8
173.04597	5.4
173.05991	1.4
175.02509	34.4
175.04027	8.0
177.01912	3.0
177.05621	1.7
178.02727	1.4
179.03435	7.1
191.05605	24.4
192.06044	1.7
193.05045	100.0
194.05457	5.1
201.05678	1.7
201.11316	1.6
209.11778	2.1
217.01393	3.0
281.07144	1.6
294.65433	1.3
319.22974	3.6
389.28455	2.1
391.30286	3.8
407.29657	7.6
407.34598	1.4
425.30722	2.3
435.29321	1.8
443.24716	3.7
451.28796	5.9
455.31607	24.5
456.32251	4.0
469.23166	3.0
469.29489	78.0
470.05173	1.8
470.29785	11.6
473.13208	2.5
473.33002	5.2
487.23254	2.1
503.33731	97.4
504.33997	14.9
505.24893	3.0
511.30453	9.5
517.31763	22.1
518.32178	3.5
533.18481	1.4
559.33429	2.1
616.27295	5.1
619.38373	1.8
631.34308	8.6
643.21393	1.7
661.23401	1.9
679.37463	97.4
680.38477	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	679.2967
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	0.4
59.01369	1.3
61.98822	0.4
68.79012	0.2
69.36266	1.9
71.01369	1.3
72.99280	0.3
73.02944	0.5
79.49964	0.2
79.95734	0.2
85.02946	1.7
87.00869	0.5
89.02429	0.6
89.03954	1.4
93.03459	0.5
95.01394	0.2
96.96007	2.0
99.00874	0.5
101.02439	0.8
106.04253	0.3
106.29346	0.2
113.02473	0.7
117.03462	5.0
123.04505	0.3
125.02467	0.3
132.02165	1.9
133.02966	0.3
134.03734	81.2
135.04004	2.7
137.02420	0.5
149.06073	6.4
158.89490	0.2
160.01646	7.9
160.43073	0.2
161.02092	0.4
173.04520	0.3
175.03996	7.5
176.04280	0.3
177.01816	0.2
177.07848	0.2
178.02646	0.9
179.03455	0.4
191.05618	2.6
193.05042	100.0
194.05382	5.7
201.11292	0.4
209.11870	0.3
215.67126	0.2
231.22830	0.2
233.76295	0.2
443.23853	0.3
469.21829	0.5
485.23709	0.5
503.33847	0.4
549.57037	0.2
679.29633	12.4
680.30145	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	679.3105
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01363	3.4
61.98816	2.0
62.73777	0.9
67.45720	0.7
69.30783	2.9
69.31201	5.4
71.01371	2.5
79.95782	1.0
85.02957	6.7
87.00866	1.3
93.03439	2.7
96.96006	8.5
101.02419	0.9
109.02933	2.2
116.92844	1.7
125.02434	2.2
127.03935	1.1
133.02916	1.2
134.03723	3.9
135.04546	9.8
137.02422	1.3
140.03194	0.8
146.00879	0.8
153.01935	1.0
159.04559	1.2
160.01721	1.3
161.02377	3.7
173.04536	2.2
173.05968	1.0
174.03142	1.2
175.03960	2.1
177.01891	2.4
179.03516	8.8
191.05609	30.0
193.05005	4.2
197.02242	4.0
197.06122	1.2
201.01968	0.9
211.03769	1.0
240.84514	0.9
243.13853	1.1
263.86798	0.9
271.13394	1.4
272.03339	1.0
287.12570	1.3
301.03558	2.2
315.12338	2.4
319.22687	2.3
353.08847	1.5
407.22269	2.5
425.23291	2.1
443.24271	3.5
469.22202	4.2
470.22461	1.5
481.28003	51.9
482.28363	7.3
487.23431	11.1
643.21600	1.3
679.30969	100.0
680.31232	17.7
703.58881	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	679.2962
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03438	0.8
59.01368	6.1
61.98824	6.6
64.71369	0.7
67.01865	1.1
71.01385	4.9
72.99304	1.9
73.02937	1.5
76.60905	0.6
78.95913	0.9
79.95720	2.3
83.01365	1.2
85.02956	7.4
87.00862	2.0
89.02436	1.3
89.03977	1.4
92.66161	0.6
93.03470	4.4
95.01376	1.3
96.96005	49.4
98.95545	1.1
99.00870	1.2
101.02417	1.9
108.02186	4.0
109.02937	3.0
111.04527	1.6
113.02445	7.0
117.03452	4.5
125.02396	1.1
127.04009	0.8
132.02155	1.6
133.02939	2.1
134.03734	75.2
135.04585	6.1
137.02457	3.6
149.06039	6.1
151.03963	1.2
152.01166	1.2
158.35854	0.6
160.01665	7.3
161.02461	5.6
162.02869	0.9
171.10323	0.9
173.04518	3.5
173.05872	0.7
175.02470	3.2
175.04004	6.5
177.01912	1.2
177.05591	0.8
178.02687	1.9
179.03474	3.9
179.10735	0.7
184.45354	0.8
189.01785	0.9
191.05598	25.4
192.05899	1.1
193.05038	100.0
194.05348	5.3
200.04686	1.0
201.05542	6.2
201.11266	1.2
205.05014	0.9
209.11745	1.8
216.00679	0.8
217.01392	1.2
217.12422	0.7
227.10684	1.0
230.99632	0.7
289.07187	0.9
301.14407	1.0
352.11945	0.8
425.23550	0.8
443.24313	3.0
469.22290	5.0
469.29099	1.4
470.22446	0.8
485.24133	1.2
485.32428	1.3
503.33740	9.9
504.34012	1.8
505.24432	1.8
515.76208	0.7
616.26740	1.3
636.14050	2.0
661.23285	0.8
679.28162	10.6
679.38214	3.7
680.13660	0.9
680.29712	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	679.2614
Annotation	Unknow
Peak:m/z	Relative Intensity
50.06007	0.2
59.01106	0.2
59.01377	3.1
60.05761	0.2
65.99847	0.3
67.01852	0.3
67.14796	0.2
69.60651	0.4
69.61057	1.2
71.01374	0.3
71.62311	0.2
77.84773	0.2
82.19862	0.2
83.01376	0.3
83.05009	0.7
85.02943	0.6
93.03436	0.7
94.02973	2.5
96.95994	0.9
98.19910	0.5
107.03753	0.2
108.04543	2.0
109.02964	0.4
113.02441	0.3
113.68211	0.3
120.04532	0.8
122.06116	9.1
123.06430	0.3
124.04017	1.6
125.02406	0.2
127.40356	0.3
132.04454	0.3
133.02971	0.3
134.06139	1.8
135.04547	0.5
135.06870	0.9
136.04031	3.7
136.07669	9.0
137.04883	0.6
138.05638	2.2
144.04591	0.5
146.06145	0.4
147.05595	0.4
148.04007	0.4
150.05603	8.7
151.00366	0.3
151.05907	0.3
152.07114	1.9
158.06126	0.3
159.11803	0.4
161.02397	0.8
163.08754	0.5
172.07600	0.3
173.04556	1.0
173.08626	0.2
174.05574	0.3
174.09180	0.8
175.05081	0.3
176.03548	0.5
183.27341	0.2
184.07819	0.3
185.09720	0.4
186.04250	0.3
186.09229	3.0
187.11320	0.5
188.10677	0.4
191.05589	1.2
196.07552	0.3
200.05876	0.4
200.10661	0.3
201.06538	2.6
202.07178	1.7
202.08887	0.8
202.12311	2.0
203.05809	0.6
212.10680	1.1
213.06625	0.7
214.07320	0.8
214.09059	0.3
215.08134	2.7
216.08919	0.4
228.10297	2.3
229.09792	13.0
230.07025	0.4
230.12013	7.9
231.11617	0.8
239.08330	0.5
240.08998	1.1
241.09666	0.4
243.07628	0.3
243.11348	0.6
244.08485	0.8
245.04498	0.8
245.09277	5.2
245.12958	1.1
246.11383	0.3
254.79955	0.3
255.11359	4.1
257.09271	6.3
258.10071	1.4
259.10815	0.8
260.11490	0.2
263.10370	0.5
273.12424	19.9
274.10419	0.5
274.12820	1.0
275.10260	1.6
289.07208	0.4
290.12753	0.5
299.10294	0.7
317.11380	14.6
318.11725	1.3
325.11877	0.4
334.11572	0.8
335.12451	100.0
336.12769	7.8
343.09109	0.3
343.12875	1.3
349.14099	0.4
575.23505	0.3
607.24396	0.6
619.23688	0.8
679.25916	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	679.2605
Annotation	Unknow
Peak:m/z	Relative Intensity
51.56320	0.5
56.67681	0.5
59.01384	3.6
59.40830	0.6
69.51632	4.4
71.01382	1.8
71.60062	0.6
73.02930	0.6
74.00627	0.6
75.82316	0.6
78.95883	0.7
79.95725	2.4
82.95424	0.8
83.05009	0.9
85.02930	0.7
89.02438	1.3
93.03448	1.0
94.02987	1.6
96.96009	49.3
98.20580	1.0
98.95565	0.6
99.00877	0.7
101.02396	0.7
102.69909	0.5
108.04554	1.7
122.06120	7.8
124.04015	1.4
133.02959	4.5
134.06056	1.5
135.04504	4.9
136.04034	4.2
136.07672	8.5
137.02435	0.6
137.38603	0.6
138.05603	1.6
150.05594	8.2
152.07140	1.8
159.11873	0.6
161.02431	17.3
173.04538	1.4
176.03513	0.9
177.05495	0.7
179.03490	2.9
185.09698	0.6
186.09187	2.3
191.05597	7.1
192.05888	0.7
192.99637	4.8
195.06731	0.6
201.06636	1.9
202.07335	1.3
202.12318	1.1
212.10811	1.4
214.07434	0.7
215.08258	2.0
221.04416	0.7
228.10275	2.2
229.09772	10.5
230.11969	7.6
231.11865	0.6
240.09143	0.9
243.11409	1.0
245.09370	5.3
245.12962	1.0
255.11430	2.9
257.09311	5.7
258.09940	0.8
259.10776	1.0
273.12418	17.2
274.12906	1.0
275.10361	2.2
281.59073	0.7
299.10623	0.8
311.07724	1.3
317.11349	12.9
334.11401	1.4
335.12460	100.0
336.12845	8.1
343.12918	1.3
353.08698	1.8
354.09222	0.9
383.09637	0.8
413.10727	1.9
473.13156	1.2
476.04626	0.6
679.26147	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	679.2615
Annotation	Unknow
Peak:m/z	Relative Intensity
53.04412	0.3
59.01373	2.9
65.99855	0.4
67.01888	0.3
67.33872	0.4
70.98405	0.6
70.98711	0.3
71.01379	0.6
78.95905	1.4
79.05538	0.3
79.95734	2.0
83.05030	0.6
85.02956	0.8
87.00872	0.5
89.02453	0.4
93.03470	1.7
94.02980	2.0
96.96008	46.8
96.96895	1.9
98.02470	0.5
108.04546	2.4
108.93803	0.4
109.02930	0.6
110.06091	0.3
113.02448	0.5
120.04541	1.0
121.63299	0.3
122.06120	9.5
123.06417	0.3
124.04041	1.4
133.03000	0.7
133.04027	0.6
134.06107	1.6
135.04523	1.8
135.05455	0.4
136.04039	3.5
136.07678	8.6
137.02405	0.7
137.04877	0.5
138.01997	0.3
138.05618	1.9
144.04524	0.6
148.04057	0.4
148.07654	0.4
150.05598	8.8
151.05930	0.6
152.07153	1.6
159.11771	0.6
161.02464	2.0
163.04031	0.3
164.60269	0.3
171.06798	0.4
172.07666	0.4
173.04588	1.1
174.09221	0.7
175.05176	0.4
176.03506	0.3
177.01816	0.4
179.03497	1.2
185.09633	0.5
186.04233	0.4
186.09198	3.2
187.11333	0.5
188.10718	0.5
191.05594	3.7
200.05716	0.4
200.10808	0.4
201.06558	2.5
202.07172	2.2
202.08891	1.2
202.12311	2.0
203.05965	0.8
203.08238	0.4
212.10825	1.4
213.06525	0.4
214.07205	1.5
215.08134	2.1
216.08786	0.4
228.10292	3.3
229.09801	15.4
230.11993	9.5
231.11774	0.7
240.09029	1.0
241.09871	0.4
243.07848	0.5
243.11371	0.7
245.09297	5.7
245.12959	0.9
246.11374	0.4
255.11377	3.0
257.09299	6.5
258.09875	1.7
259.10773	0.7
263.10284	0.4
273.12427	21.2
274.13123	1.5
275.10379	1.2
289.06985	0.8
290.12619	0.4
299.10391	0.6
312.78024	0.4
317.11371	15.6
318.11740	1.5
334.11734	1.6
335.12457	100.0
336.12766	9.2
343.12964	1.5
457.01678	0.3
470.76389	0.3
517.14526	0.7
607.24182	0.6
619.24121	0.7
643.33398	0.7
679.31512	1.7
680.17676	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	679.2603
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03477	0.4
59.01377	4.0
70.23468	1.0
71.01377	3.5
73.02944	2.3
85.02972	0.4
89.02441	5.1
89.03966	0.4
91.05524	0.7
96.96017	1.4
99.00882	4.6
101.02444	1.3
103.77728	0.3
106.04243	0.3
107.04426	0.3
107.05033	1.9
109.02934	0.7
113.02430	0.5
117.03475	1.1
123.04573	0.5
125.02423	1.0
131.03540	0.4
132.02164	0.9
133.01904	0.5
133.02945	15.3
134.03749	7.6
135.04518	100.0
136.04848	3.9
149.04558	0.6
153.09184	0.4
161.02434	49.3
162.02821	2.1
177.05521	0.7
179.03485	66.0
180.03828	2.8
191.05627	2.2
203.03470	0.4
207.06628	1.3
251.05577	6.1
273.12405	0.5
311.07758	7.8
312.07666	0.4
335.12396	2.9
353.08737	16.4
354.09113	1.2
383.09821	14.3
383.14050	0.4
384.10275	1.0
413.10849	24.3
414.11310	2.3
437.11200	0.6
455.11926	0.5
473.13010	6.1
474.13455	0.7
679.26013	44.0
680.26288	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	679.2602
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	2.6
61.73467	0.3
63.03428	0.3
69.41903	2.1
69.42307	0.7
71.01379	2.6
73.02958	1.4
81.03461	0.7
83.05020	1.8
85.02938	0.8
89.02457	3.2
91.05527	0.7
96.96027	0.7
97.59657	0.3
99.00848	2.1
101.02432	1.2
107.05013	2.4
113.02467	0.7
117.03469	1.6
131.03479	0.5
132.02187	0.5
133.02953	16.9
134.03745	7.9
135.04518	100.0
136.04845	3.6
137.02458	0.6
138.06926	0.4
152.08510	0.6
153.09200	1.0
161.02440	41.3
162.02777	2.2
179.03496	57.1
180.03825	2.6
191.05574	1.4
202.48398	0.3
205.12320	1.5
225.15965	0.4
226.16290	0.5
237.07648	0.5
284.58954	0.4
388.46582	0.3
451.33325	0.4
452.33188	0.4
646.83350	0.3
678.49933	10.1
679.25983	68.0
679.49695	3.8
680.26343	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	679.2605
Annotation	Unknow
Peak:m/z	Relative Intensity
51.56320	0.5
56.67681	0.5
59.01384	3.6
59.40830	0.6
69.51632	4.4
71.01382	1.8
71.60062	0.6
73.02930	0.6
74.00627	0.6
75.82316	0.6
78.95883	0.7
79.95725	2.4
82.95424	0.8
83.05009	0.9
85.02930	0.7
89.02438	1.3
93.03448	1.0
94.02987	1.6
96.96009	49.3
98.20580	1.0
98.95565	0.6
99.00877	0.7
101.02396	0.7
102.69909	0.5
108.04554	1.7
122.06120	7.8
124.04015	1.4
133.02959	4.5
134.06056	1.5
135.04504	4.9
136.04034	4.2
136.07672	8.5
137.02435	0.6
137.38603	0.6
138.05603	1.6
150.05594	8.2
152.07140	1.8
159.11873	0.6
161.02431	17.3
173.04538	1.4
176.03513	0.9
177.05495	0.7
179.03490	2.9
185.09698	0.6
186.09187	2.3
191.05597	7.1
192.05888	0.7
192.99637	4.8
195.06731	0.6
201.06636	1.9
202.07335	1.3
202.12318	1.1
212.10811	1.4
214.07434	0.7
215.08258	2.0
221.04416	0.7
228.10275	2.2
229.09772	10.5
230.11969	7.6
231.11865	0.6
240.09143	0.9
243.11409	1.0
245.09370	5.3
245.12962	1.0
255.11430	2.9
257.09311	5.7
258.09940	0.8
259.10776	1.0
273.12418	17.2
274.12906	1.0
275.10361	2.2
281.59073	0.7
299.10623	0.8
311.07724	1.3
317.11349	12.9
334.11401	1.4
335.12460	100.0
336.12845	8.1
343.12918	1.3
353.08698	1.8
354.09222	0.9
383.09637	0.8
413.10727	1.9
473.13156	1.2
476.04626	0.6
679.26147	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	679.187
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	1.1
66.81551	0.3
67.01893	0.5
69.87440	1.4
71.01366	1.0
71.88797	0.3
75.00864	2.3
77.03938	0.4
81.03460	0.6
85.02946	5.0
86.03307	0.3
87.00875	3.3
93.03451	4.9
95.05027	0.9
96.96007	0.7
98.20637	0.4
99.00821	0.4
99.04508	0.4
100.89176	0.3
105.01922	1.2
105.03445	3.6
109.02969	1.4
111.04498	1.2
114.71232	0.3
119.05015	7.2
120.05392	0.3
123.04530	1.5
127.03964	1.4
132.02199	0.3
133.02948	23.9
134.03333	0.7
135.03500	0.3
135.04512	6.0
136.04878	0.5
147.02939	0.6
149.02380	0.3
150.03259	0.4
151.04013	0.9
153.55054	0.3
155.03499	0.5
161.02457	1.3
161.04510	0.6
163.03995	14.0
164.04277	0.6
165.04024	7.9
171.02963	0.4
173.04523	5.8
174.04991	0.3
177.01910	12.4
179.03491	4.3
179.05598	7.3
179.07169	0.4
191.05592	100.0
192.05956	3.4
195.02954	0.6
215.05573	1.2
255.10187	1.3
311.07825	0.4
317.14133	0.3
325.05597	3.7
325.09299	3.9
326.06177	0.3
327.07138	2.1
328.85153	0.4
343.74683	0.3
351.07162	3.7
353.08743	16.4
354.09045	1.2
505.13446	0.8
542.32605	0.3
589.11487	0.3
679.18951	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.2811
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	0.3
57.25040	0.4
57.94750	0.4
59.01381	5.0
60.99298	0.4
61.98829	1.4
71.01374	4.3
73.02942	2.1
79.95737	0.4
83.01390	0.7
83.45083	0.3
85.02939	2.3
87.00876	0.8
88.04020	0.4
88.98803	0.4
89.02440	2.7
89.02930	0.4
89.03976	2.3
93.03468	1.6
96.95995	5.4
98.19870	1.0
99.00875	2.4
99.04546	0.4
101.02434	3.1
108.02197	0.5
109.02950	0.9
111.00848	0.6
113.02464	0.7
117.03458	6.3
119.05029	0.8
121.02969	0.6
123.04528	0.9
125.02420	1.8
126.02758	0.4
131.03455	0.4
132.02165	3.1
132.03055	0.9
133.03003	0.9
134.03732	100.0
135.04149	2.9
137.02431	1.1
149.04816	0.5
149.06062	9.5
149.07227	0.7
153.01962	0.5
160.01637	12.0
161.02434	1.6
161.04648	0.5
163.04056	0.6
171.10306	0.9
173.04547	1.6
175.04004	11.2
176.04498	1.1
177.01952	1.3
177.05571	0.4
178.02629	1.3
179.03397	0.9
187.07620	0.4
191.05589	11.0
191.07108	0.9
192.05940	0.7
193.05037	96.8
194.05412	3.7
206.05734	1.0
209.11829	1.6
215.07155	1.0
217.05112	0.7
221.08151	3.0
225.11172	0.6
227.07379	0.4
233.08189	2.0
235.06096	7.8
236.06335	0.5
255.02937	0.7
256.03693	0.6
257.04474	0.7
265.07135	16.5
266.07507	1.2
283.02356	0.9
289.07184	0.4
299.05679	1.8
301.03531	0.4
325.09238	20.8
326.09683	1.7
367.10306	15.2
368.10474	1.2
397.06073	0.5
397.11340	11.7
398.11563	0.9
399.17859	0.5
407.07803	2.7
427.12436	13.4
428.12827	1.0
443.19360	2.2
466.08945	1.4
467.08823	0.4
467.20398	0.5
485.21054	0.7
487.14661	1.1
617.20087	1.0
618.20776	0.4
633.30774	0.4
641.28381	0.5
677.26154	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	675.4256
Annotation	Unknow
Peak:m/z	Relative Intensity
53.75495	0.5
54.15865	0.5
59.01374	100.0
60.01709	1.2
61.98828	1.6
70.02261	1.2
70.02657	1.3
78.95883	0.6
79.95758	0.6
80.96523	1.6
96.96033	1.1
111.94318	0.5
112.43241	0.6
183.77531	0.5
191.05583	1.1
277.47678	0.6
388.74176	0.7
478.42389	0.6
555.28516	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	677.1504
Annotation	1,3,5-Tri-O-caffeoylquinic acid
Peak:m/z	Relative Intensity
57.03447	0.6
58.11623	0.4
59.01381	2.6
60.99310	0.9
61.98831	2.5
65.18365	0.4
67.01888	1.8
69.03449	0.7
69.25093	4.7
71.01384	3.4
73.02977	0.4
81.03442	0.6
83.05019	1.8
85.02936	5.1
87.00883	1.7
88.98799	0.8
92.65022	0.5
93.03454	17.9
94.03835	0.5
95.01392	0.4
96.96007	8.5
98.20610	1.2
98.95609	1.1
99.04504	0.7
101.02455	0.8
107.05022	1.1
108.02155	1.0
108.71703	0.4
109.02946	2.5
111.00848	0.8
111.04516	6.2
113.02476	0.8
113.03487	0.5
121.03004	0.5
123.04514	0.7
123.27133	0.4
125.02448	1.2
127.04010	2.1
131.04636	1.0
133.02946	6.7
134.03781	2.4
135.04518	59.9
136.04883	1.5
137.02432	7.5
138.01958	3.9
139.02304	1.1
149.02458	0.9
151.03973	0.8
152.01112	1.0
155.02249	0.5
155.03491	9.1
159.04495	1.0
161.02432	24.5
162.02789	0.8
163.04004	0.6
171.02930	0.5
171.10287	0.8
172.05273	0.8
173.04533	71.5
174.04851	2.7
175.03981	1.5
177.01976	0.8
179.03485	56.2
180.03864	2.9
185.05991	0.6
187.03928	0.6
189.02016	0.5
189.05547	0.6
191.05592	57.0
192.05948	2.2
193.04985	0.5
203.03494	2.3
205.04880	0.4
209.11847	2.1
211.07678	0.7
224.06450	0.5
225.05534	1.0
227.12836	1.4
231.02946	0.5
237.07655	1.4
255.06528	1.3
259.02560	0.8
289.07126	0.6
297.14975	0.8
299.05542	1.3
301.03183	0.6
313.10870	0.7
315.16147	0.7
317.06705	1.1
335.07742	6.7
343.15549	1.4
353.08740	27.4
354.08978	2.6
387.14313	0.9
391.94025	0.5
405.15433	0.7
405.20868	0.7
423.21921	1.5
441.22757	2.1
467.20816	2.8
485.21747	5.3
486.21957	0.8
497.10992	1.4
515.11902	100.0
516.12177	12.8
534.76727	0.5
617.19952	0.7
633.27692	0.5
677.14941	3.4
677.24866	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	675.3589
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	1.3
57.03444	1.2
58.00591	2.6
59.01374	49.6
60.01709	0.5
61.98828	0.8
65.19897	0.2
68.99807	0.7
69.03451	2.5
71.01375	43.0
71.48537	0.2
72.01699	0.7
72.99303	3.0
73.02937	7.1
75.00863	0.8
79.01888	0.2
81.03449	1.9
83.01378	5.3
83.05054	0.2
85.02943	9.3
86.00095	0.5
87.00868	10.2
87.04495	0.3
89.02435	38.0
90.02767	0.3
91.04017	0.7
92.49677	0.2
93.03434	0.8
95.01388	2.6
95.05050	0.3
97.02938	7.2
97.06618	0.3
98.03303	0.2
99.00869	2.6
99.04503	0.7
101.02433	34.5
102.02773	0.6
103.00363	0.6
103.04012	0.4
107.01376	0.2
107.03539	0.2
107.05044	0.3
109.02929	1.2
111.00872	0.6
111.04510	1.7
113.02438	17.0
114.02789	0.5
115.04011	0.8
119.03491	10.9
121.02962	0.9
123.00925	0.3
123.04457	0.4
124.01640	0.7
125.02436	13.6
126.02802	0.5
127.04002	0.7
127.07645	0.4
129.01958	0.3
131.03496	1.7
133.05029	1.0
135.04504	0.7
137.02426	0.4
139.03987	1.2
141.01932	0.8
143.03481	7.2
149.04526	0.9
157.05070	0.5
159.03012	0.2
161.04535	8.2
162.04903	0.3
167.03477	0.6
169.05037	0.6
171.02950	0.2
179.05595	7.2
179.07184	0.3
185.04550	1.1
191.05600	0.7
199.06081	0.7
203.05609	0.4
209.11726	0.3
217.07162	1.3
221.06595	3.1
233.22685	0.3
235.08188	16.4
236.08513	0.5
245.06601	0.8
253.09259	4.3
259.20599	0.6
263.07642	1.7
275.20013	0.6
277.09579	1.0
277.21680	100.0
278.22028	8.6
287.07721	4.0
291.23267	0.4
305.08786	4.8
323.09805	1.7
361.11295	0.7
379.12244	0.9
397.13452	90.5
398.13812	7.3
415.14520	37.0
416.14871	2.9
483.12039	0.2
675.35260	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.3152
Annotation	Unknow
Peak:m/z	Relative Intensity
58.03069	2.8
59.01368	18.4
61.98814	11.5
71.01387	13.0
71.61780	2.9
73.02950	3.8
78.95910	5.8
79.95724	3.1
83.05010	6.2
85.02948	12.2
87.00857	5.9
88.98789	3.1
89.02458	4.3
93.03477	14.5
96.96009	64.6
101.02449	5.7
109.02946	8.4
111.04546	3.1
113.02478	5.6
123.04502	5.8
125.02454	6.5
125.05957	3.4
125.09735	3.5
133.02980	7.9
134.97357	3.0
135.04501	13.8
137.02434	8.2
143.03543	5.2
159.77701	3.2
161.02464	26.9
163.11279	5.1
169.12320	13.2
171.10208	24.2
172.10611	3.2
173.04578	7.1
179.03517	4.6
183.13979	3.7
185.11754	4.1
191.05595	100.0
191.07333	5.1
197.11815	98.6
198.12195	4.6
207.10239	12.6
209.11826	75.8
210.12224	7.7
211.13379	4.8
212.13808	4.2
217.01312	8.7
225.11295	3.5
227.12885	18.7
253.09288	12.3
258.01691	9.0
273.03931	3.8
289.07196	7.3
291.19751	4.2
301.03485	15.9
309.20667	7.0
331.04486	8.5
341.06882	4.5
433.20511	7.3
483.23969	26.5
484.24207	5.1
571.70361	3.5
615.29755	4.3
621.32758	11.2
639.33612	11.8
643.31525	5.1
675.32245	22.9
676.32483	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	675.3592
Annotation	Unknow
Peak:m/z	Relative Intensity
54.86945	0.3
55.01877	1.7
55.19245	0.2
57.03448	0.7
58.00594	2.0
59.01375	45.1
59.98560	0.2
60.01733	0.3
61.98822	1.7
65.22402	0.3
68.99815	0.3
69.03442	2.3
71.01376	40.8
72.01737	0.5
72.99303	3.1
73.02942	6.4
73.32674	0.2
75.00864	0.9
76.69998	0.2
78.95889	0.5
81.03451	1.5
83.01379	4.7
83.05025	0.5
85.02948	9.0
85.03451	0.5
87.00327	0.3
87.00475	0.2
87.00869	10.5
89.02437	34.5
90.02786	0.5
91.04007	0.8
93.03452	0.4
95.01379	3.3
96.95985	0.2
97.02943	7.3
98.74779	0.2
99.00877	2.9
99.04529	0.9
101.02435	35.3
102.02763	0.5
103.00384	0.5
103.03992	0.6
109.02953	0.8
111.00869	0.7
111.04508	1.0
112.01645	0.3
113.02440	16.3
114.02789	0.4
115.03992	0.7
119.02637	0.6
119.03491	10.6
121.02950	0.5
123.00874	0.3
124.01624	0.5
125.02435	14.0
126.02823	0.3
127.03997	0.7
131.03514	1.4
133.05086	1.3
135.04506	1.2
137.02373	0.5
139.03972	0.9
141.01927	1.0
143.03482	6.6
149.02473	0.4
149.04500	1.3
152.99530	0.4
155.03395	0.4
161.02480	0.4
161.04533	7.3
167.03488	1.2
169.05101	0.6
179.03423	0.6
179.05582	7.6
185.04556	0.6
191.05568	1.6
199.06140	0.5
203.05534	0.5
209.11920	0.3
214.65727	0.2
217.07150	1.1
219.05058	0.5
221.06625	2.9
233.22740	0.4
235.08209	15.6
236.08641	0.6
245.06551	1.3
253.09279	3.4
254.09567	0.3
257.41586	0.2
259.08029	0.3
259.20779	0.3
263.07693	1.6
275.20316	0.3
277.09302	1.2
277.21686	100.0
278.22037	8.6
287.07684	3.9
291.23273	0.3
305.08777	4.6
323.09775	1.9
361.11420	0.7
379.12469	1.3
397.13461	89.8
398.13763	6.6
415.14514	37.0
416.14801	2.6
540.50977	0.3
640.89758	0.3
675.35901	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.2078
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	8.4
61.98827	1.4
65.00320	1.3
67.01884	1.5
70.52410	2.9
71.01380	1.5
81.03449	2.3
83.01395	6.3
85.02940	3.5
93.03442	4.8
95.05007	2.9
96.96011	14.8
97.02949	3.2
98.95592	2.6
107.05014	3.5
108.02148	3.5
109.02948	18.5
111.04519	1.2
119.05003	1.1
121.02922	3.6
122.03738	1.5
123.04512	14.7
124.01639	1.3
125.02441	82.7
126.02760	3.8
131.04930	1.4
133.02928	4.3
135.04497	4.4
135.08156	2.6
136.01637	2.4
137.02448	20.0
137.06107	0.9
138.03178	2.2
139.04007	16.8
147.04536	1.6
149.02412	8.5
150.03221	2.0
151.04005	19.0
153.01929	1.9
159.04495	3.5
161.02437	18.4
161.06024	3.9
162.03116	2.3
163.00336	2.4
163.04004	6.1
164.01128	2.9
164.04713	1.9
165.01871	4.5
165.05603	1.4
167.03546	2.0
173.04539	2.9
173.05969	1.3
174.03162	1.1
175.04012	11.3
177.01874	7.2
177.05588	1.2
178.02791	1.2
179.03516	5.0
179.07124	13.8
187.04001	10.5
188.04648	2.8
189.01874	3.6
189.05484	1.3
190.02654	1.9
191.03673	2.2
191.05580	16.5
191.07153	1.6
192.05818	1.3
193.05026	2.7
201.05637	1.8
203.03429	2.2
203.07115	7.2
205.05042	6.8
205.08530	2.4
213.05540	2.0
215.03416	1.8
217.04982	3.2
219.03050	1.3
219.06535	3.4
223.06036	3.4
223.09750	20.4
225.05580	1.1
228.04073	1.3
229.05119	5.5
229.08647	3.7
230.05713	1.3
231.02888	2.5
231.06555	4.0
235.09644	1.3
241.04924	1.2
243.02991	1.7
245.04404	2.0
245.08145	9.6
247.05937	1.5
249.11333	1.8
253.05026	1.8
255.03008	5.8
255.06728	1.4
256.03595	3.2
257.04501	2.0
262.08499	1.5
263.09094	1.3
269.04633	2.4
271.06076	1.3
273.04099	2.2
273.11295	2.3
281.04492	4.4
283.02390	1.3
283.06253	1.1
283.09720	1.8
284.26074	1.1
285.04041	2.4
285.11288	2.1
287.05511	4.1
289.07159	41.9
290.07465	3.3
297.07693	1.9
297.11224	1.0
299.05560	4.2
309.07568	1.7
315.08868	1.5
327.12299	2.0
329.06622	1.6
339.05035	2.0
339.08566	7.5
340.08972	1.1
341.06381	2.2
341.10199	1.4
343.11832	2.0
353.10074	3.7
371.11328	11.9
371.27002	1.0
381.09415	1.2
385.12912	21.8
386.13193	3.0
407.07715	20.4
408.07791	1.7
415.12323	1.3
425.08524	1.5
451.10248	10.6
452.10529	1.2
461.12006	6.8
479.17188	1.1
499.14429	2.4
505.15002	36.4
506.15149	5.8
523.16058	100.0
524.16351	15.7
543.07068	1.2
639.19025	2.8
675.20642	20.6
676.21069	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	675.208
Annotation	Unknow
Peak:m/z	Relative Intensity
52.57244	0.6
55.01885	0.7
57.03447	12.7
59.01372	2.3
61.98821	1.8
65.03954	1.0
69.03450	1.0
71.01376	2.7
79.95741	2.2
81.03456	2.0
83.01385	6.3
85.02946	3.3
89.02475	0.9
92.04422	0.7
93.03471	3.7
93.07098	1.3
95.01383	1.5
95.05006	3.4
95.95222	1.1
96.96011	23.8
97.02959	4.7
98.95617	0.9
104.60828	0.8
105.03466	0.8
107.05033	1.3
108.02174	1.6
109.02951	19.8
111.04428	0.8
113.02423	1.5
119.05044	0.7
121.02956	3.5
122.03741	2.0
123.04516	14.1
125.02442	100.0
126.02795	3.0
131.04720	0.8
132.25984	0.8
133.01436	1.1
133.02950	4.5
134.03720	1.6
135.04533	8.5
135.08170	2.7
137.02440	19.3
137.06049	1.3
139.04010	3.0
146.03703	1.5
147.04518	1.0
149.02434	4.7
150.03218	1.7
151.04021	11.8
153.01912	3.8
159.04536	3.0
159.93993	0.8
160.01576	1.6
161.02441	26.4
161.06033	4.2
162.03041	2.9
163.00339	2.5
163.04013	4.0
164.01122	2.9
164.02399	0.7
165.01929	6.0
167.03485	1.5
173.04565	2.7
173.05923	0.8
174.03276	1.1
175.03984	7.8
175.07713	0.8
177.01917	5.0
177.05663	1.4
178.02647	1.3
179.03514	8.1
179.05676	0.7
179.07120	17.3
180.07393	0.9
185.05998	0.8
187.03964	5.6
187.11162	1.0
188.04739	2.3
189.01930	2.3
189.05565	1.6
190.02837	0.9
191.03816	1.4
191.05600	8.0
191.07172	2.9
192.05966	1.2
193.04996	1.5
199.04048	0.9
201.05598	1.6
202.06415	1.1
203.03477	2.0
203.07182	7.2
205.01402	1.6
205.05038	6.6
205.08670	1.0
213.05539	0.8
215.03500	1.0
217.05080	1.2
217.08723	1.0
219.06555	8.1
221.08116	1.9
223.09741	30.9
224.10115	1.4
225.05600	1.1
227.03423	1.3
227.07132	2.2
229.04958	2.0
229.08723	0.9
231.03104	0.8
231.06960	12.3
231.57138	2.9
232.06810	1.0
235.09787	1.0
239.06641	6.0
239.56888	1.3
243.02948	1.5
245.04475	2.8
245.08124	11.0
255.03020	2.1
256.03677	1.2
262.08463	3.2
269.04489	1.1
271.05963	1.3
273.11243	1.0
281.04602	1.8
281.08844	1.3
283.02673	1.1
285.11209	0.9
287.05618	4.4
289.07156	60.5
290.07462	4.6
295.05933	0.8
297.07874	1.0
299.05557	4.9
301.03516	1.1
329.06824	0.9
339.08740	2.2
341.06540	1.9
341.10306	1.2
343.11713	3.4
344.12067	0.8
353.10037	1.3
365.17844	16.8
366.18216	3.5
367.11768	0.9
367.18164	1.2
371.11215	5.7
383.19058	4.5
384.19272	1.4
385.12872	22.0
385.17587	1.5
386.13297	3.0
399.18488	2.1
407.07657	9.1
425.08881	1.5
451.10327	10.7
452.10709	1.8
461.11560	1.4
463.14426	1.2
505.15002	16.2
506.15121	1.3
513.25787	0.9
523.16040	26.2
524.16205	4.2
577.13257	1.5
639.26910	4.2
642.61005	0.8
642.99567	0.7
657.19910	1.4
675.20447	14.6
675.79346	1.2
676.21765	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	675.1017
Annotation	Unknow
Peak:m/z	Relative Intensity
50.28043	0.1
52.34301	0.1
57.03451	0.2
59.01354	0.1
61.18668	0.1
67.01874	0.2
71.01361	0.2
71.61788	0.1
72.83858	0.1
79.95735	3.5
85.02951	0.5
85.92943	0.1
87.00862	0.2
93.03451	1.0
96.96004	100.0
97.95934	0.3
109.02972	0.2
109.28828	0.1
111.04543	0.2
119.05003	0.3
123.04523	0.1
124.46684	0.1
125.02424	1.3
133.02925	0.1
133.85913	0.1
135.04512	0.2
137.02417	0.3
151.03960	0.2
161.02362	0.5
163.03999	0.5
173.04568	1.0
175.04037	0.1
179.03464	0.2
187.03920	0.1
191.05589	8.0
192.05936	0.1
203.07088	0.2
245.08150	0.3
287.05627	0.1
289.07169	0.8
313.88971	0.1
321.10822	0.2
337.09247	1.3
353.08746	0.5
357.80988	0.1
367.10397	0.1
390.46585	0.1
407.07724	1.0
408.08478	0.1
425.08743	0.9
426.09430	0.1
451.10269	0.2
577.13849	0.4
675.19226	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.102
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03438	0.4
59.01376	0.1
66.42847	0.1
71.01344	0.1
71.62524	0.1
78.95893	0.4
79.95733	3.3
83.01384	0.1
85.02969	0.1
88.98786	0.2
93.03448	0.3
95.01414	0.1
96.96005	100.0
97.02944	0.1
97.95945	0.3
98.95580	0.1
104.95654	0.1
109.02947	0.5
113.19112	0.1
121.02944	0.1
123.04546	0.3
125.02433	2.3
126.02757	0.2
133.02959	0.1
135.04504	0.2
137.02440	0.6
146.03741	0.1
147.04483	0.1
147.07233	0.1
149.02400	0.1
150.03204	0.1
151.04019	0.3
153.01904	0.1
161.02441	0.7
161.06015	0.1
162.03110	0.1
164.01236	0.1
165.01888	0.2
167.03438	0.2
173.04579	0.2
175.03983	0.2
177.01892	0.2
179.03523	0.3
187.03912	0.2
191.05576	1.4
201.05518	0.1
203.03476	0.1
203.07086	0.2
205.05002	0.2
218.83237	0.1
245.08177	0.2
247.06059	0.1
281.04443	0.1
287.05414	0.2
289.07150	1.1
353.08817	0.1
385.12933	0.2
407.07626	0.5
425.08801	0.8
451.10281	0.2
505.14771	0.1
523.16138	0.2
577.13885	0.4
671.42688	0.1
675.21600	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	673.3436
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44945	0.1
55.01866	0.1
57.03433	0.2
58.00595	0.1
59.01379	1.8
61.98802	0.1
67.34586	0.1
69.03476	0.2
71.01379	1.6
71.05030	0.2
73.02941	0.3
80.02671	0.9
81.03439	1.1
83.01383	0.4
83.05022	4.6
84.02167	0.8
85.02943	0.5
87.00861	0.3
89.02440	1.1
93.03455	0.2
95.05019	0.7
97.02966	0.2
97.06541	0.1
99.00909	0.1
101.02436	1.6
109.02913	0.1
109.06583	0.3
109.69757	0.1
111.00918	0.1
113.02435	0.8
119.03482	0.4
123.04616	0.1
124.40951	0.1
125.02430	0.6
125.06059	0.4
125.09715	0.2
133.05063	0.1
135.08195	0.6
137.02417	0.1
145.05019	0.1
147.11786	0.2
161.02438	0.1
161.04593	0.7
163.11270	3.6
164.11545	0.2
165.12834	2.1
166.13158	0.2
171.10249	1.6
179.05525	0.3
181.12328	0.8
185.11916	0.2
191.05577	0.4
191.10756	0.9
192.28944	0.1
199.13377	0.2
203.07172	0.1
207.10220	0.2
209.11812	100.0
210.12140	5.6
210.14197	0.2
211.13255	0.1
221.11806	0.3
223.13268	0.2
227.12862	12.9
228.13153	0.6
229.14548	0.1
231.13824	0.1
235.08173	1.7
239.12947	0.1
247.13347	0.8
253.09264	5.9
254.09630	0.2
265.14490	0.3
289.07239	0.7
401.23346	0.3
419.24307	0.3
445.20825	0.9
463.22025	0.2
508.17929	0.1
593.29578	0.1
637.32086	0.8
655.33246	0.3
673.34155	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	673.2507
Annotation	Unknow
Peak:m/z	Relative Intensity
55.56649	0.5
57.03428	2.2
59.01376	4.3
61.98808	2.1
69.03467	0.6
69.28844	4.6
69.29265	1.1
71.01370	2.5
75.84627	0.5
78.95873	0.7
80.05069	0.7
81.03439	1.3
83.01362	1.1
83.05009	0.8
85.02949	2.2
87.00887	0.8
89.02442	0.9
89.07806	0.6
93.03439	1.8
94.06615	18.4
95.01377	0.6
95.05011	0.9
95.06954	0.7
96.95981	2.1
97.02937	1.2
101.02459	1.1
102.40662	0.5
106.06617	38.6
107.06945	1.1
108.04550	0.9
109.02937	4.5
117.70471	0.6
121.02929	1.3
122.06104	3.1
123.04549	3.0
124.06857	0.9
124.07677	11.2
125.02435	9.0
126.75058	0.5
127.04036	0.6
132.04498	2.8
133.02928	0.7
134.06209	0.5
135.04497	1.6
137.02457	5.3
139.03999	1.0
144.04520	0.9
144.54123	0.6
149.02493	1.0
150.03186	1.3
150.05545	2.2
150.06790	1.4
151.03996	2.2
151.07248	0.7
158.02425	0.7
160.03998	2.4
161.02452	2.9
161.04623	0.8
161.06012	0.9
162.05583	0.7
163.00360	1.0
163.11237	0.7
164.01164	3.2
165.01872	2.1
168.06648	0.8
171.10254	1.0
172.04050	1.2
172.86443	0.5
173.04544	1.0
175.03984	1.5
176.03493	1.3
177.01918	0.8
179.03461	1.8
187.04001	0.9
188.04672	0.6
190.05067	4.5
191.05602	11.1
192.05804	1.1
199.13339	2.2
203.07114	1.5
204.06635	0.8
205.05093	1.6
207.10271	0.9
209.11832	15.6
210.12172	1.3
211.12318	0.5
215.11879	1.0
223.08824	1.2
224.09445	1.8
225.11128	0.6
226.07399	0.8
226.11464	0.6
227.07918	0.5
227.12894	12.0
228.03926	0.6
231.06921	3.1
236.09521	0.5
238.62123	0.6
239.08266	1.3
239.11858	5.9
240.10213	1.0
241.09801	1.6
245.08197	3.8
249.10440	0.5
251.11858	1.2
253.06139	1.8
253.09412	2.3
255.07564	0.7
255.11433	1.5
257.12900	16.4
258.13361	0.9
265.09729	1.5
265.13632	0.7
266.06906	0.8
267.07733	2.2
267.11301	2.3
268.08459	2.5
268.11331	0.8
269.04608	0.7
269.13126	0.7
279.07581	0.6
280.08597	2.5
281.09152	1.2
283.10840	21.4
284.11197	2.5
285.04138	0.8
287.05515	0.8
287.10349	1.2
289.07150	21.1
290.07480	1.5
295.10852	8.8
296.11349	1.4
297.12390	0.7
299.10416	1.1
301.03537	0.6
307.10510	0.6
309.08719	1.6
309.12363	3.1
313.11880	1.8
315.13361	1.3
327.09872	0.9
327.13333	3.4
328.14078	0.8
339.09384	0.7
359.12341	0.6
376.20453	0.7
383.10953	0.9
390.18469	0.6
402.18115	3.3
407.07809	1.2
418.17764	0.9
420.19220	19.5
421.19394	2.5
425.08456	1.6
446.17172	1.9
451.26703	0.7
452.21872	1.3
463.21640	1.5
464.18271	5.5
465.18344	0.8
478.19775	2.5
490.16052	0.9
496.20865	23.3
497.21213	3.0
521.14386	0.7
522.18866	3.6
579.22839	0.8
597.23376	9.8
598.23743	2.4
629.26080	100.0
630.26349	18.9
637.32458	1.1
641.24567	1.3
655.33124	1.3
672.40594	1.4
673.20917	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	673.1922
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	13.2
59.01373	3.2
69.03445	1.0
69.58529	5.2
71.01369	5.4
73.02952	1.2
81.03456	1.3
83.01382	4.4
85.02948	1.3
88.98804	1.3
89.02415	1.3
93.03450	3.2
95.01373	1.5
95.05019	2.9
96.96000	14.3
97.02956	4.9
98.20634	1.0
101.02434	1.0
107.05018	2.3
109.02950	17.4
109.06576	1.7
113.02406	1.1
117.03401	0.9
121.02944	3.2
122.03699	2.1
123.04525	10.9
124.01640	0.8
125.02436	100.0
126.02825	3.7
133.02983	4.6
135.04509	4.3
137.02432	25.1
139.04016	2.3
146.03734	1.0
147.04538	1.2
149.02446	5.7
150.03188	2.5
151.04010	11.9
153.01936	1.1
159.04521	3.3
160.01701	1.2
160.05229	1.4
161.02437	12.8
161.06042	2.9
162.03096	2.4
163.00342	4.0
163.03969	2.6
164.01143	7.3
165.01904	12.7
167.03458	2.0
173.04530	1.8
173.06050	2.0
174.03252	1.4
175.03993	10.4
175.07648	1.9
177.01884	7.9
179.03505	6.3
185.05998	1.0
187.03961	6.6
187.07642	1.4
188.04744	2.7
189.01859	1.0
189.05487	1.6
191.05585	8.5
199.03961	2.7
200.04753	2.5
201.05595	1.7
202.06323	1.4
203.03514	1.5
203.07091	7.3
204.04379	0.9
205.01451	3.8
205.05054	5.3
207.03020	1.0
207.10274	4.6
211.03935	2.1
213.05588	1.8
214.02704	1.0
214.06482	0.8
215.03497	1.8
215.07092	1.9
217.04958	1.1
217.08714	3.0
221.08141	1.0
224.04765	0.8
225.05507	1.1
225.11342	2.9
227.03474	1.4
227.06961	2.0
228.04279	3.5
229.05052	3.4
229.08707	1.8
231.03050	1.2
239.06897	1.6
243.02951	3.1
245.08130	7.7
247.06026	1.5
253.05119	0.9
253.08781	1.0
255.02927	8.9
256.03787	4.0
257.04532	1.6
257.08151	9.3
269.04520	1.2
271.06021	1.2
273.03976	4.0
281.04547	2.9
281.08105	1.8
282.01532	1.1
283.02472	1.5
285.03979	3.0
285.07382	1.1
286.04767	2.4
287.05542	1.4
288.02811	0.9
289.07147	43.3
290.07465	3.0
297.04153	1.0
297.11261	1.0
310.00235	0.8
320.44601	0.9
328.05835	1.1
329.06656	4.5
339.05069	0.9
339.08707	3.3
339.12350	1.3
341.10156	1.3
365.09952	0.9
381.09625	1.8
383.11288	17.7
384.11691	2.1
385.12817	2.3
395.11325	5.6
397.13379	1.5
399.18466	1.0
407.07684	52.0
408.08173	4.9
425.08765	23.0
426.09073	1.8
450.09351	1.1
467.09781	1.1
469.74808	0.9
485.15643	1.2
503.12787	0.9
521.14319	3.9
522.14398	1.0
529.14990	2.0
547.16095	13.7
548.16534	2.3
623.25342	1.9
641.25787	1.0
655.17633	1.1
673.18921	5.7
673.29602	4.1
674.19305	1.3
683.56622	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	673.1923
Annotation	Unknow
Peak:m/z	Relative Intensity
52.69381	0.5
55.01881	0.7
57.03447	14.1
59.01381	1.3
61.98814	2.3
65.03966	0.5
69.03443	1.3
69.56733	3.0
71.01381	1.8
79.95736	1.7
81.03457	2.5
83.01388	5.0
85.02941	1.5
89.02438	0.6
93.03461	3.7
93.17477	0.4
94.04601	0.5
95.01384	1.0
95.05054	1.5
96.96007	42.2
97.02940	4.1
101.02441	0.6
103.36494	0.5
107.05024	1.4
108.02174	2.2
109.02952	15.6
109.06664	0.6
111.00883	0.6
111.04494	0.8
117.03431	0.5
121.02940	4.8
122.03733	1.9
123.00830	0.7
123.04525	10.3
124.01655	1.5
125.02438	100.0
126.02763	2.7
128.03485	0.6
131.05006	0.6
132.02170	0.8
133.02924	4.1
134.03740	0.9
135.00879	0.9
135.04526	3.3
137.02434	26.3
138.03047	0.5
139.04010	3.1
143.05093	0.5
145.02870	1.2
146.03720	2.0
147.04527	1.6
149.02419	5.0
149.06015	0.6
150.03250	2.6
151.00409	0.8
151.04007	10.3
153.01939	0.7
158.03610	0.6
159.04501	3.6
160.01645	1.8
160.05212	0.9
161.02428	12.2
161.06058	3.9
162.03136	1.6
163.00336	4.1
163.04013	2.8
163.11343	0.5
164.01132	7.1
165.01917	15.0
165.05582	0.6
166.02548	0.8
167.03511	2.3
171.04477	1.2
172.05269	0.7
173.04568	1.9
173.06059	1.5
174.03218	1.4
175.03986	8.7
175.07605	2.9
176.01131	1.1
176.04500	0.6
177.01915	8.4
177.05475	1.0
178.02496	0.8
179.03490	6.6
183.04483	0.8
185.06097	1.5
186.06883	0.6
187.03976	6.3
187.07689	1.7
187.81287	0.5
188.04747	2.9
189.01875	1.0
189.05540	1.5
190.02655	0.5
191.03761	1.1
191.05602	8.9
191.07275	0.5
192.05934	0.7
193.04993	1.4
197.06142	0.6
199.03944	2.4
199.07590	0.6
200.04669	2.4
201.02049	0.6
201.05562	2.0
201.09187	1.1
202.06332	1.5
203.03487	1.9
203.07111	8.7
205.01405	4.4
205.05005	4.8
205.08693	0.7
206.77696	0.5
207.10283	0.6
211.03958	1.4
211.07626	0.9
212.04778	1.0
213.05643	1.2
214.02737	0.9
214.06294	0.6
215.03459	2.2
215.07108	1.9
217.05043	1.8
217.08646	3.9
221.08075	1.3
224.04816	0.6
225.05676	0.7
225.11356	0.7
227.03500	1.7
227.07167	1.1
228.04254	2.2
229.05066	3.4
229.08652	2.4
231.03029	1.2
239.06960	1.8
241.05038	0.5
243.02872	2.5
243.06664	0.9
245.04578	2.1
245.08139	9.1
247.06142	1.5
253.05002	1.0
253.08609	0.7
255.02982	7.1
255.10231	1.0
256.03659	4.1
257.04572	2.2
257.08127	7.8
258.08725	0.8
268.07547	0.5
269.04559	2.0
271.06097	1.0
273.03992	4.8
281.04572	1.9
281.08066	1.2
282.01489	0.5
282.68878	0.6
283.02457	1.5
285.04028	3.1
285.07376	0.8
286.04807	2.5
287.05682	2.4
288.02606	0.6
289.07153	38.7
290.07550	3.4
297.04123	1.3
297.11267	1.1
298.04807	0.7
321.07565	0.6
327.05066	0.7
328.05762	0.7
329.06671	4.2
339.08676	3.3
339.12363	1.3
341.06598	0.8
341.10284	1.7
353.09384	0.5
365.10300	1.0
367.11685	2.7
381.09860	2.2
381.17502	0.9
383.11313	18.3
384.11652	1.8
385.12827	3.4
395.11328	5.9
396.11859	0.8
407.07660	40.6
408.08093	4.4
425.08746	17.2
426.09244	2.3
449.08441	0.9
450.09332	1.1
467.09872	0.7
477.74283	0.6
485.12048	1.1
503.13403	4.1
521.14490	4.8
529.14972	2.4
547.15985	11.6
548.16467	1.7
571.89288	0.6
655.18274	1.3
673.19397	8.0
673.29059	2.0
674.10834	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	671.4008
Annotation	Guineamide D
Peak:m/z	Relative Intensity
57.03423	0.4
59.01385	2.0
61.98812	0.4
71.01373	1.5
85.02947	1.3
87.00861	0.4
90.65220	0.3
93.03452	0.5
96.95988	0.5
97.02944	0.4
99.04525	0.4
101.02438	0.7
109.06516	0.4
111.04562	0.4
120.61314	0.3
125.02443	0.4
127.11282	0.4
134.03636	0.4
135.04446	0.5
135.08151	1.1
136.05267	0.6
137.02454	0.4
148.05327	0.5
149.06087	5.1
150.06854	34.8
151.07291	1.4
155.10782	0.5
161.04716	0.3
161.09763	0.7
162.06888	0.8
163.07637	8.8
163.11247	0.6
164.08415	4.3
171.10265	0.7
176.08423	1.8
177.09206	0.8
178.09990	2.7
179.10759	9.4
180.11081	0.4
191.05621	2.2
199.13480	0.5
207.10269	2.4
209.11826	3.7
225.11281	2.4
227.12898	0.7
253.09273	0.5
265.21603	0.7
283.22607	0.4
327.25339	1.2
329.23233	4.4
330.23648	0.4
362.50806	0.3
417.22858	0.4
423.07004	0.5
430.30563	0.8
445.33261	0.8
447.34647	0.4
448.31909	6.7
449.32233	1.3
461.20215	0.9
462.33551	1.1
463.34274	10.9
464.34439	1.4
476.31314	0.5
490.32809	2.0
491.33682	2.9
501.08649	0.3
508.34201	3.0
509.34787	27.5
510.35123	4.0
653.31256	0.7
671.40094	100.0
672.40405	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	671.2917
Annotation	Unknow
Peak:m/z	Relative Intensity
50.60723	0.1
55.01879	0.6
57.03448	0.7
57.29609	0.1
58.00595	0.8
59.01375	22.9
59.98481	0.1
60.01721	0.2
69.03445	0.9
69.66892	0.2
69.67302	0.5
71.01377	13.6
71.04997	0.2
72.01743	0.2
72.99301	1.9
73.02943	10.4
75.00876	0.5
81.03444	0.1
83.01388	1.4
83.05031	0.2
85.02946	7.4
86.00085	2.0
86.00573	0.2
87.00871	10.3
87.04506	4.2
88.01205	0.1
89.02437	7.2
95.01379	0.8
97.02955	0.6
99.00874	0.6
99.04523	0.5
101.02438	9.5
103.04002	3.3
109.02991	0.2
112.84715	0.1
113.02441	5.6
115.04002	6.3
116.04385	0.2
119.03493	2.4
125.02454	0.6
127.04025	0.5
131.03497	8.2
132.03864	0.2
143.03490	7.9
144.03856	0.3
145.05045	1.6
161.04553	0.8
163.06125	2.5
183.76196	0.1
205.07146	5.2
206.07568	0.2
239.39816	0.1
243.02925	0.1
247.08142	0.5
271.02487	0.3
300.02606	0.3
301.18063	2.7
302.18240	0.2
317.12070	0.1
319.19107	1.9
320.19678	0.2
327.76468	0.1
356.69040	0.1
431.27448	0.1
463.23706	0.2
481.24472	1.2
482.24036	0.1
510.00839	0.1
511.34521	0.2
609.14661	0.5
609.28882	0.8
625.91473	0.1
627.30127	100.0
628.30505	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	671.3286
Annotation	(-)-Flexicorine
Peak:m/z	Relative Intensity
55.01878	0.4
57.03446	1.4
59.01376	10.0
59.01675	0.5
61.98818	1.2
65.03977	0.5
67.01883	0.4
69.03456	0.6
71.01373	7.5
71.05032	0.5
71.62040	0.4
72.99321	0.5
73.02953	1.5
76.64262	0.4
78.62893	0.3
78.95902	1.6
80.02676	1.8
81.03460	3.2
83.01391	1.3
83.05021	7.5
84.02169	1.1
85.02948	2.2
85.24273	0.4
87.00856	1.8
89.02454	3.6
91.04062	0.4
93.03455	2.0
95.01406	0.7
95.05015	1.9
96.96037	1.0
97.02946	6.0
97.06591	1.1
99.00859	1.8
101.02432	5.4
106.04279	0.5
107.05026	0.9
109.02994	0.7
109.06585	18.9
109.07344	0.9
110.03753	1.5
110.06934	0.8
111.04498	0.9
111.08131	0.4
113.02443	3.0
115.56158	0.5
119.03518	1.2
119.05042	0.4
121.02991	0.3
121.06599	1.3
123.04503	1.5
123.08170	1.1
125.02434	1.9
125.06077	1.2
125.09708	2.8
127.11295	0.6
130.67975	0.3
135.04504	1.1
135.08163	2.9
136.05299	1.5
137.02458	1.2
137.09770	0.4
139.07643	0.5
142.02713	1.0
143.03633	0.6
145.05067	0.7
149.02440	0.4
150.03215	0.7
152.99651	0.6
161.02431	0.9
161.04524	1.9
161.09712	1.6
163.11270	15.9
164.11655	0.8
165.12802	2.6
167.03503	3.1
171.10254	5.4
173.04520	0.6
179.03526	0.6
179.05556	0.6
179.10776	1.0
181.12331	4.7
185.11780	1.9
187.09760	0.6
189.09225	1.5
191.05617	3.1
191.10812	1.3
197.11853	0.8
199.13364	0.9
201.11266	4.2
205.12340	0.7
207.10245	58.8
208.10574	4.1
209.11806	100.0
210.12141	6.2
217.12245	0.9
221.11850	1.0
223.13371	1.9
225.11301	44.8
226.11591	2.4
227.12875	14.2
228.13251	0.8
231.10199	1.2
233.11888	0.5
235.08168	4.0
235.13339	0.9
237.14912	0.4
242.02271	0.5
243.12256	1.2
245.11812	0.8
247.13396	1.2
248.13756	0.4
249.11334	1.4
251.12843	0.9
253.09244	10.6
254.09811	0.5
263.12881	1.5
265.14478	1.0
281.13794	0.6
285.04047	0.9
289.07092	0.4
297.03818	0.4
299.14981	1.6
355.22855	0.6
368.28848	0.4
371.22363	0.6
373.23993	0.8
381.20682	0.9
391.24783	0.9
399.21738	3.7
400.22034	0.7
405.17749	0.5
417.22922	4.5
418.23047	0.9
423.07199	2.3
435.23898	0.9
443.19012	4.3
444.19415	0.6
445.20480	1.1
458.43613	0.4
461.20242	12.8
462.20648	1.5
485.20737	0.6
488.22351	0.4
609.32483	0.5
625.32227	0.5
627.31329	1.4
635.15436	0.4
635.19489	0.7
635.30597	10.7
636.30847	2.2
653.31641	14.4
654.31909	2.8
671.32690	35.9
672.33221	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	670.2713
Annotation	Unknow
Peak:m/z	Relative Intensity
50.56809	0.2
54.03025	0.2
55.38867	0.2
57.03440	0.3
59.01381	2.0
61.98825	100.0
69.27492	1.7
69.27905	0.8
69.47627	0.2
70.82287	0.3
71.01372	1.8
73.02940	0.6
78.54359	0.2
83.01408	0.3
83.05014	0.7
85.02944	0.9
87.00887	0.4
88.98843	0.3
89.02445	0.6
93.03455	0.6
96.96000	1.9
97.02975	0.4
98.53796	0.3
98.95616	0.3
99.04465	0.3
101.02461	0.9
106.13168	0.3
109.02973	0.7
109.06591	1.1
113.02465	0.7
116.49239	0.2
121.02956	1.4
123.04532	0.4
125.02463	1.1
125.09805	0.3
128.03606	0.4
133.02997	0.5
135.04541	0.8
135.08167	0.6
137.02409	0.6
149.06093	0.3
150.06854	3.4
151.03996	0.3
151.07335	0.4
153.01947	0.5
161.02426	1.6
163.07637	0.8
163.11304	0.5
164.08345	0.5
165.01965	0.4
167.03548	0.5
171.10286	1.1
173.04579	0.5
175.03990	0.2
179.03528	0.5
179.10791	1.4
180.11269	0.3
186.23383	0.3
189.09216	0.5
191.05618	1.7
207.10237	3.0
209.11816	4.9
225.11307	5.6
226.11621	0.4
227.12837	1.6
235.08374	0.4
242.02232	0.5
243.03032	0.4
253.09326	0.8
255.03023	0.4
267.49280	0.3
283.02490	0.3
285.04028	1.0
289.07196	0.3
346.45044	0.2
417.22583	0.3
423.07068	1.3
443.19507	0.4
461.20743	0.9
463.34418	0.5
490.32617	0.4
507.33249	0.7
508.34402	0.3
509.35086	1.4
611.34619	2.1
635.31097	0.4
652.31415	0.5
653.31891	1.3
654.21570	0.3
669.38940	1.6
670.40228	3.5
671.17731	0.8
671.41174	5.0
685.75287	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	670.1623
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	4.5
61.98828	46.1
69.86360	3.3
71.01378	4.1
73.02952	0.7
85.02960	1.7
89.02456	2.6
91.01885	2.1
93.03454	3.5
96.96005	4.0
97.02971	1.3
98.20549	0.8
99.00875	0.8
99.80402	0.6
101.02409	0.9
107.05016	2.0
109.02978	0.8
117.03413	1.6
121.02945	2.1
123.04506	1.0
125.02474	3.5
132.02136	1.0
133.02945	16.6
134.03758	7.3
135.04518	100.0
136.04832	3.5
137.02397	5.2
151.03990	13.0
152.04404	0.8
157.96980	0.6
159.04585	1.1
161.02434	50.8
162.02748	3.5
163.04015	0.9
167.03471	1.5
173.04521	1.3
175.04016	0.6
177.01915	1.4
177.05614	1.1
178.02673	1.2
179.03484	65.4
180.03874	2.4
191.05600	6.8
192.05917	0.7
202.88847	0.6
221.04489	3.4
231.59315	0.7
239.06705	1.4
240.15042	0.6
251.05563	1.4
255.02951	1.0
283.02435	12.1
289.07245	0.7
293.06625	1.1
301.03510	1.7
311.07520	1.1
325.03488	0.7
353.08749	11.2
371.48087	0.6
395.09799	1.3
399.18396	0.7
403.06573	2.1
421.07599	1.5
426.13248	0.7
437.10492	0.7
455.11896	94.1
456.12219	10.6
506.52954	0.6
575.14069	2.5
607.16632	26.4
608.16943	4.6
670.27203	1.1
671.19244	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	669.385
Annotation	Ajugasalicioside F
Peak:m/z	Relative Intensity
54.66556	0.3
57.03439	0.9
59.01373	1.5
59.19063	0.3
61.98825	2.3
69.96363	1.3
71.01357	1.4
74.95152	0.2
77.14214	0.2
83.05070	0.3
85.02955	1.1
87.00865	0.5
89.02460	0.6
96.95997	0.8
98.20545	0.4
99.04536	0.3
101.02443	0.5
111.04533	0.5
111.08180	0.4
113.06023	0.6
121.06585	0.3
123.04523	0.4
135.04428	0.4
135.08136	0.7
135.66510	0.3
136.05299	0.5
137.06070	0.4
149.06064	5.5
150.06850	39.8
151.07123	1.4
153.09198	0.6
157.08670	0.7
161.02437	0.5
161.09761	0.7
162.06824	0.5
163.07635	10.3
163.11244	0.3
164.08411	5.7
165.08774	0.4
169.12286	0.5
171.10272	1.0
176.08429	1.4
177.09201	1.0
178.09962	2.7
179.10756	12.6
180.11073	0.6
191.05603	0.5
193.08652	0.3
195.13892	0.3
202.52745	0.3
207.10234	0.7
209.11812	0.5
223.09712	0.4
225.11295	1.0
241.14473	0.3
255.96971	0.3
263.20111	0.6
279.23193	0.7
281.21219	0.9
282.21860	0.3
283.19171	0.5
309.49976	0.3
325.23694	1.0
327.21747	5.2
328.22131	0.6
385.37762	0.3
428.29434	1.4
443.31622	1.0
444.32071	0.6
445.33276	0.5
446.30261	7.2
447.30737	1.0
460.31949	1.3
461.32697	9.3
462.32938	1.8
488.31393	1.6
489.31931	2.3
506.32355	2.6
507.33176	26.1
508.33563	3.2
577.70551	0.3
609.32733	0.7
669.38489	100.0
670.38879	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	669.3484
Annotation	Unknow
Peak:m/z	Relative Intensity
51.64932	0.2
55.01879	0.3
57.03461	0.8
59.01085	0.6
59.01372	5.6
61.98835	0.5
69.03455	1.8
69.87863	1.1
71.01379	4.3
71.05036	0.8
73.02963	1.0
80.02658	1.2
81.03455	1.2
83.01388	0.7
83.05016	4.5
84.02171	0.6
85.02945	1.2
85.06598	0.6
87.00893	0.8
89.02443	2.6
93.03467	0.6
95.01411	0.5
95.05020	1.4
96.96007	0.5
97.02949	0.4
97.06590	0.3
101.02435	3.9
108.05838	0.3
109.02910	0.3
109.06583	1.0
111.04536	0.2
113.02439	1.9
119.03516	0.5
123.08238	0.3
125.02450	0.3
125.06055	0.6
125.09726	0.9
135.08163	0.9
143.03543	0.3
145.05058	0.6
147.90936	0.2
149.09718	0.7
161.04530	1.5
161.13376	0.3
163.03883	0.3
163.11273	4.2
165.12808	2.5
167.10771	2.2
169.12346	0.5
171.10240	3.0
177.12846	0.6
177.23424	0.3
179.05586	0.4
179.10823	1.2
179.14384	3.1
181.12186	0.3
183.89470	0.3
191.05508	0.6
191.10738	1.0
195.13893	9.3
196.14293	0.5
197.11800	1.1
199.13408	0.3
205.12300	8.8
206.12665	0.7
207.10265	1.0
209.11806	100.0
210.12152	5.4
223.13364	88.4
224.13716	5.0
225.11298	1.1
227.12865	16.9
228.13208	0.8
235.08182	4.3
253.09259	10.0
254.09625	0.6
261.14911	2.8
316.96085	0.3
397.23294	0.3
415.24857	0.7
433.25574	0.4
441.21115	0.9
445.20605	1.4
459.22351	8.9
460.22421	0.9
633.32159	1.1
651.33398	1.3
669.31274	2.7
670.31891	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	669.3127
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	1.9
61.98829	3.1
69.03448	0.3
71.01382	1.6
71.62888	0.2
72.99287	0.3
73.02954	0.5
77.03980	0.2
79.95741	0.4
81.03439	0.3
83.01385	0.4
83.05034	0.4
85.02951	1.0
87.00877	0.5
88.98795	0.5
89.02451	0.6
93.03468	1.0
95.01404	0.2
95.05023	0.3
96.96019	2.4
97.02971	0.3
99.00851	0.3
101.02460	0.6
107.05066	0.2
108.02211	0.4
109.02964	0.4
109.06581	0.4
111.04510	0.9
113.02449	0.7
119.03530	0.3
120.88711	0.2
121.02951	100.0
122.03272	3.3
123.04527	0.4
125.02433	0.6
125.09766	0.3
133.02951	1.2
134.03720	0.2
135.04526	1.4
137.02480	0.5
149.02477	0.2
151.04010	0.4
161.02423	4.5
161.04544	0.3
161.09679	0.5
162.02650	0.3
163.11305	0.2
171.10208	0.9
173.04550	0.8
177.01729	0.2
179.03494	1.0
179.10765	0.4
191.02046	0.3
191.05598	3.3
192.06030	0.3
205.05186	0.2
205.08740	0.6
207.10240	0.7
209.11795	2.8
221.11682	0.2
223.06149	0.3
223.09766	1.3
225.11316	1.1
227.12859	0.4
235.13377	0.3
253.09332	0.4
259.05945	0.3
265.02048	0.2
267.02884	0.3
283.06152	0.6
295.02594	0.6
301.03348	0.4
309.04251	0.2
327.05511	0.3
413.14594	0.6
433.09503	0.5
445.05743	0.3
451.10495	0.3
455.12128	0.6
477.08170	1.4
517.10022	0.5
609.29474	0.9
625.28571	0.3
633.21820	0.6
634.22455	0.2
651.30334	0.8
669.15253	0.5
669.31592	2.4
670.31061	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	669.1668
Annotation	Unknow
Peak:m/z	Relative Intensity
58.61968	0.4
67.01849	0.4
69.03452	1.3
70.46888	1.4
72.99297	0.7
80.93707	0.3
81.03442	0.6
83.01376	0.7
85.02941	0.4
87.00845	0.6
93.03459	2.0
95.01377	0.6
96.96012	2.9
97.02940	1.2
107.01376	0.7
108.02170	1.1
109.02962	0.7
123.00861	1.7
123.04527	0.8
124.00819	0.7
124.01664	8.8
125.02444	31.1
126.02791	1.1
133.02921	1.5
135.04495	0.8
137.02406	0.8
147.49713	0.4
149.99579	16.2
150.02831	0.4
151.00281	1.7
152.01160	0.9
161.02380	0.6
167.03546	1.0
168.00638	49.2
169.01399	8.2
173.04559	1.6
177.01987	0.5
183.59680	0.5
183.92499	0.4
191.05605	8.2
192.05908	1.1
193.06308	0.4
209.48221	0.4
297.06146	3.0
299.07687	1.1
315.07190	100.0
316.07477	7.4
317.07565	0.6
351.07144	1.5
353.08820	0.6
369.08163	2.0
392.34201	0.4
463.02100	0.4
481.04044	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	667.2964
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	1.8
61.98826	2.3
71.01373	1.5
76.92868	0.2
77.03982	0.3
79.95739	0.3
83.01372	0.3
84.46936	0.2
85.02944	0.7
87.00867	0.4
88.98807	0.5
89.02461	0.5
93.03467	0.8
96.29125	0.2
96.96005	10.9
101.02440	0.6
108.02160	0.3
109.02962	0.3
113.02432	0.4
119.03512	0.4
121.02949	100.0
122.03286	2.9
123.04520	0.4
125.02436	0.5
127.23253	0.2
133.02965	0.5
134.03780	0.3
135.04527	0.9
137.02434	0.6
139.03979	0.2
148.27962	0.2
150.06824	0.5
151.03969	0.5
161.02431	0.7
163.03947	0.6
165.01836	0.2
167.03485	0.2
173.04509	0.8
179.03508	0.7
191.05568	2.0
192.05927	0.2
197.11658	0.3
209.11810	0.5
237.07697	0.9
238.07985	0.7
239.08247	0.3
289.07413	0.3
323.41235	0.2
349.41830	0.2
395.81006	0.2
404.56815	0.2
437.86624	0.3
485.24094	0.8
495.23065	0.3
607.27515	1.6
608.28009	0.4
638.53290	0.3
667.27454	0.4
667.38147	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	667.2757
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39922	0.6
57.03434	2.4
59.01368	4.6
60.99310	4.0
61.98814	3.0
67.01886	10.9
69.03455	2.7
70.02691	2.3
71.01377	7.4
73.02930	1.3
75.86115	0.6
81.03459	2.4
83.05019	2.5
85.02958	5.2
87.00867	18.5
88.98794	1.3
93.03452	96.7
94.03786	1.9
94.42313	0.7
95.05010	2.2
96.96010	3.5
97.02891	1.3
99.00876	2.2
99.04526	1.3
101.02425	1.7
105.03443	7.6
107.05029	2.0
109.02939	13.5
109.06537	1.0
110.68597	0.6
111.03798	1.5
111.04510	15.0
113.02422	1.4
117.03463	0.7
121.02966	1.1
123.04509	3.9
124.01578	0.6
125.02438	2.1
127.04030	1.2
129.01947	1.9
133.02948	62.1
134.03470	1.6
135.04515	17.7
137.02422	2.4
143.91159	0.6
149.02423	1.7
150.03212	2.5
151.03998	3.0
155.03453	2.8
161.02440	2.2
163.04134	0.8
171.10281	2.3
172.10590	1.3
173.04526	47.0
174.04817	1.5
177.01910	22.4
178.02327	1.1
179.03458	8.6
191.05598	46.0
192.05966	1.7
207.10187	3.1
209.11787	1.0
215.05594	37.6
216.05928	1.8
223.13344	3.0
225.11279	2.7
253.09241	0.7
289.07193	1.8
307.08188	5.7
351.07172	98.8
352.07443	7.0
413.22864	0.9
475.20718	1.5
577.56256	0.8
649.32495	1.0
667.27490	100.0
668.27808	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	667.2757
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01887	0.8
57.03446	1.6
59.01382	7.8
60.99306	5.0
61.98815	2.6
67.01885	11.7
67.63844	0.8
69.03440	2.1
71.01388	8.7
73.02955	2.0
79.95756	1.1
81.03439	2.6
83.01395	1.3
83.05011	2.7
85.02939	6.3
87.00875	19.3
88.98801	1.6
89.02432	2.2
93.03452	96.5
94.03773	2.2
95.04994	2.4
95.05547	0.8
96.96008	6.8
97.02890	1.1
98.20625	1.9
99.00859	0.9
99.04512	1.1
101.02423	2.9
102.02250	0.8
105.03455	7.7
107.05025	2.1
108.02151	0.8
109.02948	12.8
110.03276	0.7
111.00925	1.0
111.04521	12.1
113.02433	2.5
115.03973	0.8
117.03476	0.9
121.02925	3.0
123.04507	2.0
125.02435	2.2
129.01999	1.4
133.02953	57.3
134.03297	1.4
135.04523	17.4
137.02429	3.0
143.03436	1.0
149.02391	1.3
150.03210	3.0
151.03972	1.3
154.04050	0.7
155.03535	4.2
161.02467	5.5
161.04567	0.8
173.04544	70.5
174.04816	2.7
177.01913	23.5
178.02336	0.9
179.03537	8.1
191.05600	45.4
192.05885	1.8
197.04593	0.9
215.05595	32.7
216.05937	1.7
289.07092	0.9
307.08142	4.4
351.07178	100.0
352.07602	6.7
457.90018	0.8
463.32489	1.1
493.22263	1.3
607.37018	4.4
625.37909	5.0
667.27509	73.7
667.36853	3.3
668.28058	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	667.2968
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	0.4
57.03451	0.5
59.01381	2.2
61.98824	0.5
69.03439	0.3
69.25832	2.2
69.81139	0.2
71.01378	3.0
72.99344	0.3
73.02943	1.2
81.03455	0.4
83.01382	0.7
85.02944	1.8
87.00873	0.4
89.02447	0.9
89.03966	0.4
91.05521	0.3
93.03450	0.7
96.96015	0.7
97.02943	0.2
99.00864	0.7
101.02425	2.5
105.03461	0.3
106.04209	0.4
107.05024	2.4
108.02159	0.2
109.02988	0.4
113.02452	0.8
117.03451	1.5
123.04522	2.7
125.02497	0.5
132.02155	0.7
133.02954	16.8
134.03751	8.2
135.04518	100.0
136.04845	4.5
137.02432	0.5
138.75453	0.3
145.52612	0.3
149.02475	0.6
153.01920	0.3
161.02437	45.8
162.02762	1.9
165.41516	0.2
167.03476	7.1
179.03485	58.1
180.03830	2.2
187.95480	0.2
191.03500	0.8
191.05592	1.3
203.06966	0.2
209.04567	0.4
223.06166	0.5
234.89851	0.2
283.02460	0.3
330.43811	0.2
346.11255	0.3
393.03931	0.3
443.11523	0.3
461.12851	2.0
505.26785	0.3
546.35297	0.3
636.76013	0.3
667.29651	71.7
668.30005	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	667.1876
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	0.4
59.01376	1.0
67.00861	0.2
67.01874	0.3
69.03432	0.4
71.01366	0.8
73.02948	0.4
81.03455	0.3
85.02948	5.6
87.00883	1.4
93.03454	3.2
95.01389	2.3
96.96006	3.9
99.04521	0.2
101.02435	0.3
104.19057	0.2
107.05028	3.6
108.02173	3.7
109.02978	1.3
111.04523	0.9
119.05060	0.2
121.02961	0.4
123.00885	2.8
123.04530	0.5
125.02460	0.3
127.04028	1.4
130.88725	0.3
133.02931	0.7
134.03746	0.3
135.04517	1.5
149.02448	0.7
151.04010	3.5
152.01131	2.6
153.01897	1.0
155.03447	0.4
161.02475	1.7
166.99857	4.3
167.03540	0.3
168.00452	0.5
169.01422	0.7
171.03040	0.5
173.04539	1.6
177.01868	0.3
179.03490	0.9
191.05600	100.0
192.05940	3.8
193.01469	0.4
193.04875	0.3
229.28680	0.2
246.54735	0.2
285.03818	0.3
299.07727	5.2
300.08115	0.3
313.05600	0.8
313.09332	2.5
315.07187	0.8
352.07315	0.3
353.08752	13.9
354.08966	1.2
367.02173	0.3
367.06366	0.5
367.10391	0.6
475.08295	0.4
554.57001	0.3
667.15485	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	665.3026
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	3.1
57.03441	1.9
57.74159	1.0
58.00592	1.3
59.01376	67.1
61.98819	1.7
69.38356	8.6
70.93041	1.1
71.01379	52.6
72.99306	2.4
73.02943	10.4
80.04958	1.0
82.95402	1.6
83.01381	6.2
85.02940	21.5
87.00883	5.2
87.04507	2.5
89.02435	23.2
93.03465	3.4
95.01394	4.7
96.95998	10.5
97.02972	2.3
99.00877	5.3
101.02437	28.0
109.02990	1.5
113.02447	25.7
116.92816	5.0
118.87609	0.9
119.03504	7.3
119.05038	2.1
125.02436	4.6
131.03513	1.4
134.03734	1.3
135.04523	4.5
143.03473	4.0
145.02948	1.8
159.02994	1.8
161.02475	4.9
161.04552	10.3
163.03984	3.0
165.05606	1.3
167.03497	2.8
173.04524	2.5
179.03491	2.8
179.05594	1.7
191.05582	11.3
193.04990	1.3
206.89558	1.0
365.17859	2.0
399.19232	1.1
399.23782	7.1
400.24350	1.2
417.24878	7.6
561.29138	100.0
562.29443	11.9
579.30139	67.7
580.30573	8.0
621.31189	25.8
622.31708	4.4
665.27612	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	665.3022
Annotation	Unknow
Peak:m/z	Relative Intensity
52.83187	1.1
55.01870	1.3
57.03440	4.2
58.00591	2.5
59.01377	80.0
61.98811	3.5
66.90710	1.2
71.01379	54.1
71.06308	2.1
72.99304	4.0
73.02940	12.2
78.95898	1.9
79.95728	12.7
81.03445	2.6
83.01376	7.4
85.02947	24.5
85.95373	1.2
87.00856	6.1
89.02441	23.5
93.03469	6.0
95.01385	6.3
95.95230	3.2
96.67938	1.2
96.96006	86.8
97.02930	2.7
98.95561	3.2
99.00858	4.8
101.02440	35.0
103.90931	1.3
104.03535	2.4
109.02957	6.3
109.28273	1.3
110.97517	1.6
113.01704	1.9
113.02451	28.8
119.03495	8.2
119.04996	2.0
122.02482	3.4
122.06114	1.8
123.04512	3.6
124.01662	1.8
124.04032	1.6
125.02451	7.8
133.02937	4.0
134.03714	4.2
135.04538	8.9
137.02428	4.6
143.03464	3.8
145.02910	2.2
149.02444	2.7
150.03206	1.4
151.03934	3.7
159.04457	1.2
161.02487	7.3
161.04581	9.5
163.04053	3.0
173.04486	7.7
173.70462	1.5
177.01889	9.1
179.03441	4.1
179.05589	2.3
187.03964	2.0
189.01898	9.3
190.02707	2.9
191.03687	2.6
191.05591	31.2
191.07327	1.5
192.05838	1.6
193.05031	3.9
201.10262	2.3
203.03363	1.3
216.00526	1.2
217.01367	4.8
219.03001	1.5
223.06064	2.1
229.09825	1.6
230.10114	2.3
231.03046	1.4
231.06927	15.5
231.57175	3.3
232.06931	2.1
239.06714	7.6
256.11792	1.5
272.24521	1.4
273.12350	2.5
289.07401	1.4
297.07797	1.5
301.03500	1.6
301.11722	1.4
302.12167	2.9
303.12646	1.5
315.01074	1.3
319.13010	9.1
320.13260	10.6
321.13480	6.2
339.05612	1.4
341.06616	24.6
365.17889	29.6
366.18198	5.1
367.18375	2.1
373.12912	1.9
383.18787	10.6
384.19250	1.9
399.18454	5.7
399.23843	4.7
417.24820	8.4
449.14267	2.2
453.08676	1.4
459.26019	1.5
463.14386	2.4
465.13803	1.5
547.24384	3.3
561.29132	100.0
562.29456	12.3
579.30145	68.7
579.39362	2.9
580.30347	8.1
588.24615	1.8
589.25586	11.7
592.22198	1.3
615.22241	1.4
621.31189	21.3
622.31769	3.4
633.24615	21.7
665.18439	8.8
665.27185	22.3
665.37769	7.1
666.28400	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	665.2813
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01837	0.5
57.03442	0.7
59.01380	5.7
61.11330	0.4
61.98824	3.0
62.26983	0.4
69.32295	1.2
69.32700	2.7
71.01379	5.4
73.02942	1.7
79.95753	0.7
81.03463	0.5
83.01388	1.5
83.05025	0.5
85.02960	3.8
87.00893	1.0
88.98788	0.5
89.02428	2.3
89.03952	0.6
93.03445	2.5
95.01413	0.5
96.96012	6.2
98.20692	0.7
98.95595	1.5
99.00880	1.4
101.02423	3.2
103.86753	0.5
106.04205	0.5
107.05034	2.3
108.02203	0.7
109.02940	3.8
113.02463	1.9
116.92863	2.6
117.03453	1.2
119.03487	0.5
119.05026	0.9
121.02946	1.1
122.97625	0.5
123.00900	1.3
123.04530	1.0
125.02470	1.0
131.04634	0.4
132.02187	0.9
133.02946	15.6
134.03746	8.8
135.04518	100.0
136.04848	3.7
137.02444	2.1
139.04024	0.5
141.01930	0.7
147.04486	0.5
150.03210	0.9
151.03996	47.5
152.04337	2.0
153.01947	1.0
161.02434	42.5
162.02852	1.9
163.04002	0.8
173.04523	1.8
175.03899	0.6
179.03485	60.2
180.03796	3.0
191.03714	0.7
191.05582	9.2
191.07129	0.8
192.05966	0.6
193.05051	1.8
209.11777	0.8
223.06093	0.6
289.07272	0.7
353.09061	0.6
374.52805	0.5
388.72046	0.5
427.12457	1.0
463.20465	0.5
503.33585	0.6
541.18097	0.5
555.79114	0.5
646.33252	0.5
665.28094	73.8
665.37933	4.5
666.28583	14.7
666.38800	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	665.2812
Annotation	Unknow
Peak:m/z	Relative Intensity
53.63223	0.3
59.01375	1.7
70.12109	0.3
70.32561	1.3
71.01382	2.8
73.02946	1.4
85.02950	1.2
87.00859	0.4
89.02446	0.9
89.03947	0.4
91.05524	0.8
94.11855	0.4
96.95977	0.3
99.00897	0.7
100.58125	0.4
101.02429	2.3
107.05021	1.8
109.65078	0.3
113.02448	1.2
117.03453	1.1
132.02197	0.9
133.02945	17.0
134.03740	8.1
135.04515	100.0
136.04823	3.9
161.02429	39.7
162.02757	1.9
163.03923	0.6
173.04497	0.4
179.03484	59.2
180.03801	3.0
191.05568	0.5
209.15419	0.6
308.80423	0.3
323.61206	0.3
418.56860	0.4
506.69415	0.4
665.28064	77.4
666.28351	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	665.2481
Annotation	Unknow
Peak:m/z	Relative Intensity
56.44139	0.1
57.96581	0.1
59.01377	1.0
61.98819	0.4
66.69265	0.2
69.03426	0.1
71.01376	2.8
71.61868	0.1
71.62232	0.2
73.02953	0.4
78.95900	0.5
79.95741	2.8
85.02958	0.4
89.02419	0.3
93.03425	0.2
96.96005	100.0
97.95939	0.5
98.95634	0.3
99.00867	0.3
101.02435	0.7
109.02941	0.3
109.06625	0.8
113.02496	0.2
115.92096	0.2
116.92840	1.1
119.03554	0.2
121.02964	0.3
123.04549	0.2
125.02409	0.6
125.09686	0.2
127.19141	0.1
135.04512	0.4
137.02487	0.1
149.02388	1.1
151.03928	0.3
161.02444	0.8
161.04552	0.2
163.11287	0.7
164.04771	0.9
171.10265	5.7
171.18680	0.2
172.10606	0.3
173.04616	0.3
175.00450	0.2
177.44977	0.2
179.07086	0.2
181.12358	0.4
191.05595	1.9
199.13432	0.2
201.11322	0.3
204.74541	0.2
205.05074	0.2
207.10300	2.0
223.06073	1.9
225.11302	1.5
235.08327	0.2
243.12421	0.3
253.09256	0.6
289.07220	0.3
319.22705	3.3
320.23090	0.2
461.20453	0.5
473.24994	0.2
502.32681	0.2
615.30133	0.3
629.27972	0.4
633.30536	0.4
665.33905	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	663.3026
Annotation	Unknow
Peak:m/z	Relative Intensity
54.06055	0.5
57.03436	0.9
59.01376	4.0
61.98817	1.8
62.70858	0.5
70.99197	1.5
71.01374	2.2
73.02937	0.6
75.00879	0.8
75.54624	0.6
79.09704	0.5
85.02950	8.0
87.00879	1.8
89.02467	0.5
93.03453	4.1
96.95996	4.3
109.02928	1.1
111.04520	1.1
113.02462	1.1
123.04494	0.7
125.02402	1.4
127.03993	2.5
133.02933	2.6
134.03827	0.7
135.04536	8.2
137.02443	2.0
150.03244	0.7
151.03998	0.8
161.02446	7.2
171.04854	0.5
171.10254	0.8
173.04527	2.5
179.03474	3.9
180.03929	0.7
185.06067	0.8
189.01979	0.7
191.05603	100.0
192.05945	3.5
199.09708	0.9
200.04721	0.9
201.11333	2.3
209.11769	1.4
217.01477	0.7
227.12845	0.8
271.13409	2.8
273.14941	1.1
317.13766	0.7
327.04999	0.6
327.21692	1.6
353.08795	9.7
354.09137	1.1
382.89413	0.6
409.23730	1.4
427.24792	2.5
445.26022	1.7
453.22388	1.7
471.23859	13.3
472.24091	2.0
501.32410	2.9
643.53101	0.7
663.29065	2.6
663.39136	5.8
664.38550	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	663.302
Annotation	Unknow
Peak:m/z	Relative Intensity
50.87424	0.4
57.03418	0.7
59.01367	2.9
61.98821	1.7
67.01868	0.6
69.03458	0.5
71.01376	2.5
73.02953	1.0
73.83910	0.4
79.95740	0.5
81.03425	0.6
82.90228	0.4
83.05025	0.5
85.02945	13.3
86.03282	0.4
87.00867	2.8
89.02465	0.6
93.03455	7.1
95.01352	0.5
96.96007	9.1
98.95590	1.1
99.00890	0.4
99.04520	0.9
99.96888	0.4
101.02438	1.3
109.02939	1.8
111.04504	1.7
113.02460	0.4
113.09743	0.7
113.60332	0.5
121.02935	0.5
123.04549	0.5
125.02429	1.0
127.04033	3.3
133.02943	0.9
135.04507	1.5
137.02377	2.1
144.64453	0.4
145.91937	0.4
149.02417	0.6
150.03221	0.5
153.01904	0.4
155.03519	0.5
161.02469	2.5
164.04698	0.5
167.03525	0.5
169.12433	0.4
171.02986	1.0
171.04491	1.0
171.10292	1.9
172.05246	0.8
173.04578	2.7
173.05913	0.8
174.03156	1.1
176.04695	0.6
179.03511	1.0
185.06065	13.0
185.11827	0.6
186.06612	1.0
187.04039	0.6
189.01886	0.6
189.05566	0.8
191.05597	100.0
192.05917	5.5
193.06111	2.3
197.06082	1.2
197.11897	0.5
201.11307	0.6
209.06052	4.0
209.11743	1.1
210.12276	0.5
211.07637	0.6
213.05641	2.5
227.03467	0.8
227.10699	0.5
228.04280	0.5
228.11157	0.6
229.12012	0.5
241.12146	0.6
255.13818	1.0
266.13049	1.6
283.13382	1.0
284.14139	4.3
285.14532	0.4
295.13373	0.4
295.59616	0.4
299.12848	0.7
301.03278	0.5
301.14194	0.6
317.13977	1.1
328.12994	0.7
358.25461	0.5
391.22781	2.2
409.23779	9.6
410.24103	1.4
427.24823	34.4
428.25226	5.4
443.24088	0.7
444.24402	0.6
445.25760	2.9
453.22607	2.3
469.22156	0.7
470.22473	1.4
471.23743	33.6
472.24054	4.5
489.25021	0.8
663.29913	6.5
664.30505	1.0
681.18213	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	663.3021
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	2.3
64.53420	0.3
67.01883	0.4
70.61786	1.0
71.01368	1.4
71.32085	0.4
73.02979	0.4
81.03439	0.4
83.05025	0.6
85.02943	14.0
87.00867	2.6
91.59502	0.3
93.03455	5.7
96.96006	2.8
98.20691	0.5
99.00877	0.5
99.04555	0.4
105.53896	0.3
109.02951	1.6
111.04540	1.8
113.02449	0.4
127.04018	3.7
135.04530	0.7
137.02426	0.5
159.04504	0.9
161.02383	0.5
171.02971	1.1
171.10274	1.0
172.05281	3.7
173.04485	1.8
174.03246	0.4
185.06070	1.4
185.11800	0.5
186.06857	0.5
187.04027	2.5
191.05600	100.0
192.05931	3.2
197.06107	0.8
199.03979	2.7
204.04277	0.8
209.06036	1.5
209.11758	0.6
211.04071	0.6
211.07561	0.5
213.05537	1.5
214.06213	0.6
215.12840	1.0
223.07690	0.5
223.09665	0.5
225.05518	0.6
227.03502	3.5
228.04074	0.7
229.04985	0.6
229.12312	10.1
230.12619	0.6
231.10237	1.9
240.04231	0.8
241.10800	1.0
243.13925	0.7
251.10872	0.5
253.05049	4.7
254.05486	0.4
255.13919	1.3
265.12408	0.5
266.05917	0.5
266.12845	0.6
267.06601	0.9
271.13336	1.1
273.11288	0.8
283.13376	1.1
284.14172	0.7
299.12802	1.8
301.14581	0.5
310.12137	0.5
381.13354	1.4
382.14294	0.7
391.22681	1.3
399.14377	3.4
400.15396	1.0
404.93854	0.3
409.23810	5.5
420.26593	0.4
427.24844	8.6
428.25143	1.1
435.21649	0.9
445.25833	1.8
453.22791	16.5
454.23062	2.1
471.23816	65.2
472.24164	9.5
663.30109	3.7
664.30334	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	663.3017
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	0.4
59.01371	2.1
60.07269	0.4
65.77290	0.3
67.01871	0.5
69.03461	0.6
70.24136	0.4
71.01364	1.6
71.61317	0.4
73.02957	0.7
81.03457	0.5
83.05037	0.8
85.02437	0.7
85.02943	12.9
87.00862	2.5
93.03452	6.1
96.95997	1.5
98.95583	0.9
99.04504	0.8
100.56654	0.3
109.02940	1.2
111.04507	1.3
125.09697	0.5
127.04002	3.1
127.22268	0.4
135.04520	0.5
137.02434	0.7
146.03702	0.6
159.04471	1.0
160.05397	0.4
161.02472	0.8
169.08713	0.9
171.02954	1.1
171.10257	0.7
172.05295	2.2
173.04556	2.6
173.05902	0.6
174.03201	0.8
184.05234	0.5
185.06064	1.3
186.06760	0.5
187.03966	1.4
187.09737	0.6
191.05594	100.0
192.05971	3.5
196.05292	0.6
197.06041	2.1
198.06712	0.5
199.03976	3.3
199.07556	0.5
200.04739	1.6
201.11298	0.4
202.06284	0.7
204.04207	0.5
207.38341	0.4
209.06036	5.4
210.06680	0.4
211.07664	0.9
212.04825	0.4
213.05569	0.9
215.12860	0.6
222.06897	0.4
223.07622	4.0
225.09155	0.3
227.07094	0.4
229.12263	2.3
237.09143	1.6
241.08627	0.4
241.10771	1.4
243.13976	0.6
251.10764	0.7
255.13882	5.8
256.14450	0.4
257.15390	0.6
265.12378	0.8
269.11575	0.4
270.12595	1.4
271.13358	5.5
272.13751	0.4
273.11328	1.1
273.14920	1.5
279.13895	1.2
279.42377	0.3
282.25311	0.3
283.13422	1.1
293.15533	0.5
299.12866	4.0
300.13205	0.4
301.14291	0.8
309.14969	0.4
310.12030	0.5
327.15939	0.6
337.14383	1.0
365.24854	0.4
391.22800	4.2
392.23154	0.5
409.23779	17.7
410.24054	2.2
427.24863	9.6
428.25189	1.3
435.21915	1.6
445.25809	3.8
453.22778	35.8
454.23117	4.7
467.99725	0.4
471.23810	34.1
472.24283	4.9
491.18567	0.5
663.30170	4.5
664.30597	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	663.3015
Annotation	Unknow
Peak:m/z	Relative Intensity
54.44867	0.5
57.03437	1.1
59.01381	1.9
60.99294	1.6
61.98822	1.0
67.01885	6.7
69.03458	1.8
71.01367	3.5
71.25858	0.7
78.95892	0.6
81.03461	1.5
83.05018	1.4
84.67691	0.5
85.02948	6.0
87.00872	7.1
92.62061	0.5
93.03452	42.3
94.03783	1.4
96.95988	1.0
99.00852	0.7
99.04465	0.7
105.03454	1.5
108.02159	2.4
108.52738	0.5
109.02943	3.1
111.04513	5.2
121.02941	2.2
122.03725	0.7
123.04530	1.1
124.01659	6.3
125.02423	4.0
126.03211	1.1
127.03984	2.4
129.01921	0.8
132.02145	1.5
133.02954	11.3
134.03746	7.4
135.04517	100.0
136.04797	2.5
137.02420	5.4
139.03983	1.4
150.03221	4.8
151.03978	12.6
155.03470	1.3
157.68034	0.5
160.01691	1.8
161.02454	4.6
162.03197	0.9
163.04016	0.6
171.10214	1.2
173.04530	24.2
173.06024	1.2
174.03244	0.7
174.04865	0.5
177.01920	4.3
178.02721	3.7
179.03482	20.7
180.04106	1.7
181.05000	0.9
183.31464	0.5
187.04008	0.6
191.05594	71.6
192.05930	2.1
194.02147	0.7
198.84494	0.5
199.04030	0.6
201.11299	0.9
209.11832	0.8
215.05574	3.2
228.08536	0.5
271.13431	2.7
290.07602	1.2
299.12643	0.8
307.08252	5.0
308.08972	12.8
309.09204	0.7
311.22418	1.0
351.07147	11.3
352.07925	12.8
353.08554	3.3
409.23749	1.5
427.24835	3.6
445.25784	3.9
446.25876	0.6
453.22830	6.1
454.22980	1.1
471.23792	31.0
472.24222	3.8
489.24734	2.4
663.30115	49.9
664.30554	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	663.2665
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	24.1
59.07011	1.3
65.43861	1.7
68.23454	1.2
69.35787	8.4
69.36208	4.0
71.01366	5.0
73.02935	1.4
80.96485	2.4
85.02939	3.0
89.02409	2.7
93.03441	1.7
94.02977	3.6
96.05245	1.6
96.07227	1.2
96.95451	1.6
96.96011	20.3
98.20719	2.2
101.02418	2.6
106.06631	1.4
108.04514	1.8
109.02951	1.4
110.06115	3.9
110.06880	1.3
113.02458	4.3
120.08149	2.2
121.05348	1.6
122.06149	10.3
123.04485	1.3
124.04035	5.0
125.02448	1.9
133.02910	1.8
135.04492	2.3
136.03998	6.3
137.04773	2.3
138.05583	4.5
144.04494	3.9
147.05626	3.4
150.03206	1.8
150.05637	7.6
160.04085	1.5
161.02351	2.0
161.03552	1.4
161.04712	4.1
162.05582	1.6
163.04062	1.3
165.05556	3.1
168.06686	2.2
173.04633	3.0
174.05537	4.0
179.03455	2.1
191.05583	6.0
192.35004	1.4
201.10300	18.3
203.05785	3.4
203.11996	2.4
213.10355	10.7
215.11717	2.3
217.09755	1.8
223.08817	2.2
227.11871	4.8
229.07738	1.5
229.09834	20.5
229.13309	8.6
231.06927	5.0
237.10292	1.6
239.06635	2.9
239.11867	10.6
241.09839	3.4
245.12836	2.3
247.10818	3.9
255.11311	5.0
257.12973	8.0
263.47629	1.6
267.07199	1.9
267.11414	2.8
273.12387	6.5
283.10736	4.5
289.11905	6.4
301.11884	29.3
319.12973	100.0
320.13205	9.5
327.13443	2.8
330.12354	1.5
342.12515	1.9
343.12991	6.3
344.13910	3.0
345.15442	2.3
346.15491	2.3
358.15839	1.9
365.18002	7.4
366.17874	2.1
372.13358	4.7
383.18683	1.7
386.14969	6.2
387.15631	3.3
388.16589	4.2
390.14301	2.5
400.16708	3.1
403.15088	3.1
404.16089	11.2
405.16782	3.1
414.14450	3.7
416.16193	1.8
418.14008	2.2
419.14941	2.2
422.17447	1.6
432.15619	6.0
437.15802	4.4
446.17154	5.3
447.17551	2.6
501.19498	3.0
515.22717	1.8
519.26068	2.7
527.22919	5.5
543.28113	5.8
545.24121	14.2
546.24469	3.0
551.23090	2.2
557.24268	3.2
561.29071	3.1
569.24078	11.1
587.25043	58.2
588.25519	9.3
590.23920	3.6
601.23218	2.7
613.23224	7.3
614.22778	2.3
619.27399	1.6
631.24036	86.5
632.24554	14.0
645.25604	6.9
663.17914	3.9
663.26648	87.8
664.16821	2.4
664.26971	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	663.2658
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	0.5
59.01376	7.3
61.98827	1.2
69.26685	0.9
69.27094	3.6
71.01375	5.2
73.02930	1.1
75.00864	0.7
79.95734	1.3
83.01360	0.6
85.02954	2.5
87.00889	1.2
88.98808	0.8
89.02439	5.0
89.03953	0.8
91.05551	0.5
93.03447	2.1
95.01382	0.7
96.96004	34.5
99.00867	3.3
101.02450	2.3
107.05049	2.6
113.02453	2.7
117.03460	2.0
119.03561	0.5
119.05015	8.8
122.06092	1.4
123.04514	0.7
125.02464	1.1
132.02150	0.8
133.02946	17.1
134.03760	8.2
135.04515	100.0
136.04857	3.7
137.02415	0.9
145.02946	3.9
148.04005	1.1
149.04520	0.8
150.03142	0.7
150.05635	0.8
161.02432	46.3
162.02811	1.6
163.03992	17.3
171.10223	0.8
173.04507	1.6
177.01961	0.5
179.03479	53.6
179.63742	0.5
180.03815	2.0
191.05591	4.9
192.05968	0.5
201.11494	0.6
203.07344	0.6
208.66205	0.5
213.10292	0.4
229.09802	1.8
239.06683	1.5
239.12015	0.6
239.56760	0.8
241.60777	0.5
249.06192	1.0
267.07193	1.6
273.12445	0.9
289.06815	0.7
291.13620	0.6
295.10892	0.6
301.11914	1.5
311.07748	0.6
311.68204	0.6
311.72607	0.6
319.12979	7.9
320.13086	0.7
326.07721	0.5
327.13660	0.5
346.94153	0.5
351.21707	0.6
353.08749	1.1
403.55756	0.6
413.10690	0.7
501.19351	2.8
537.35559	0.4
545.24054	1.5
573.21771	0.5
587.25171	4.1
590.24152	0.7
620.03345	0.6
631.23956	5.1
632.24268	1.4
645.25586	1.1
663.26648	83.2
664.16895	1.0
664.27112	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	661.416
Annotation	Unknow
Peak:m/z	Relative Intensity
50.11847	0.9
51.66520	0.9
54.40216	1.0
57.03436	4.1
59.01375	5.1
60.63235	0.9
61.98819	4.8
71.01363	2.5
71.61462	1.5
73.02927	1.2
73.90670	0.9
83.05041	0.9
86.05740	1.1
87.00869	1.4
89.02481	1.2
95.05043	1.3
97.06583	12.3
101.02451	4.1
104.34939	0.9
113.02483	1.4
123.08162	6.9
125.09719	64.4
126.10096	1.6
139.91925	1.1
161.04585	1.3
169.08742	1.4
187.09744	27.0
235.08200	1.9
253.09195	2.1
255.23274	46.6
256.23624	3.1
366.22244	1.1
405.17728	2.3
408.35428	1.2
423.18665	2.2
661.41632	100.0
662.41785	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	663.2651
Annotation	Unknow
Peak:m/z	Relative Intensity
52.69779	0.2
59.01377	4.2
61.98832	0.7
71.01376	4.2
72.99314	0.5
73.02937	2.4
75.00854	0.2
79.95754	0.3
83.01375	0.4
83.04997	0.3
85.02953	0.9
87.00877	0.3
89.02441	4.1
89.03966	0.5
91.05548	0.5
93.03438	0.6
96.96007	9.3
98.95593	1.0
99.00886	4.4
101.02416	1.6
105.03457	0.4
107.05021	2.0
109.02954	0.4
113.02429	0.3
115.05389	0.2
117.03455	1.5
119.04984	0.4
119.06340	0.3
121.02958	3.5
123.04514	0.4
125.02442	1.1
126.08186	0.2
129.01906	0.3
131.03513	0.5
132.02203	1.1
133.02954	15.7
134.03745	8.5
135.04517	100.0
136.04854	3.9
137.02435	0.8
137.09694	0.6
139.04027	0.3
149.02414	0.2
149.04536	0.5
149.05989	0.4
150.03226	0.7
151.04089	0.4
159.04544	0.4
161.02431	47.1
162.02776	1.4
163.04012	0.6
165.01920	0.3
171.10297	0.5
173.04524	0.8
177.05589	0.4
179.03485	61.4
180.03833	2.4
191.05591	2.4
201.11330	1.2
207.06639	1.5
209.11742	1.7
225.11333	0.3
227.12862	1.1
239.11902	0.6
251.05598	8.1
253.06235	0.5
257.48108	0.3
267.07739	0.6
281.09381	0.3
282.09973	0.5
283.10910	1.9
285.09009	0.3
287.05621	0.4
293.06656	0.8
311.07693	13.2
312.08136	1.0
353.08755	23.0
354.09219	1.7
383.09796	24.2
384.10236	2.1
413.10852	38.1
414.11121	3.0
437.10904	0.9
455.12122	1.0
473.12949	8.7
474.13162	0.8
587.24866	0.9
613.22705	0.4
631.23999	2.7
632.25037	0.5
645.25781	0.3
663.26569	21.6
664.26691	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	661.2871
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	2.9
59.01640	0.5
61.98827	1.7
65.00311	0.6
71.01370	1.0
71.61794	0.5
79.95737	1.1
83.05009	0.6
85.02941	1.3
93.03463	2.6
95.05022	0.9
96.95999	14.4
97.02299	0.5
101.02444	0.8
103.05556	0.7
109.02945	10.4
110.03292	0.9
110.06096	1.8
113.02390	0.9
117.03500	0.7
119.04980	0.9
121.02969	1.2
122.03735	1.0
122.06105	7.7
123.04507	10.0
125.02362	0.8
127.33950	0.5
131.04906	0.6
133.02945	2.7
134.03720	0.9
134.06093	2.1
135.04524	2.5
136.07651	0.6
137.02429	3.6
138.02859	0.6
145.02913	1.6
147.04524	3.2
150.03200	1.7
151.03983	3.6
153.01863	0.5
159.04471	1.2
160.06454	0.6
161.02437	3.7
161.04749	0.5
161.06073	0.7
162.05617	0.7
163.03932	0.7
165.01927	0.9
166.02672	0.7
171.10220	0.8
172.05229	0.8
173.04530	2.0
174.05579	1.6
175.03996	2.4
176.04778	2.6
177.01915	19.7
178.02408	0.6
179.03477	0.9
180.06616	1.1
186.05574	1.0
187.04025	1.2
187.94730	0.5
188.07043	0.6
189.01915	50.5
190.02693	7.9
191.03467	8.2
191.05568	4.7
197.11836	0.7
203.03432	4.1
205.05006	0.9
213.10332	4.5
216.00589	6.8
217.01387	28.0
218.01993	2.1
219.02950	10.4
231.02960	8.4
232.03415	1.3
233.04442	0.7
239.11905	5.1
241.13423	3.6
251.11852	1.3
257.12961	0.6
264.09036	1.8
265.09802	1.7
276.08954	0.7
277.09650	0.7
279.08182	0.5
279.11295	2.8
281.09393	0.7
281.12845	0.8
283.10855	0.7
283.13400	4.6
285.12445	10.6
286.12683	0.8
289.06915	0.7
291.07877	0.8
291.11331	2.3
292.08453	2.2
292.11606	0.7
293.09143	1.6
293.12686	1.0
301.11530	0.8
301.14465	2.4
306.10141	1.4
307.10880	8.8
308.11545	3.0
319.15289	3.5
323.05548	1.2
340.10709	1.0
341.06613	100.0
342.06961	9.0
343.13058	0.8
350.08917	2.7
351.09793	7.1
352.10413	1.0
356.13818	0.9
365.11511	1.1
370.15564	1.7
372.16708	1.0
398.15009	2.4
403.15350	0.8
412.16498	2.7
413.17175	2.2
430.17801	1.8
448.18564	1.2
474.16595	1.3
492.17651	3.6
499.12473	1.1
506.19193	3.9
511.23511	1.6
520.21399	0.8
524.20032	1.1
533.18164	1.8
535.23755	2.6
538.21899	12.7
539.21844	1.7
547.14801	0.6
553.24554	11.6
554.24518	1.4
579.22229	1.3
585.27203	2.2
597.23425	9.5
598.23883	1.1
611.25214	1.4
629.26105	23.0
630.26392	3.9
643.21625	1.6
661.22742	10.4
661.30304	4.8
662.23297	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	661.2865
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01370	2.2
61.98818	0.9
67.01889	1.3
69.71655	3.1
71.01381	2.0
73.02924	0.7
79.95732	0.6
83.05019	0.8
85.02950	13.5
87.00867	2.9
93.03455	9.1
96.96008	17.5
99.04476	0.6
109.02936	2.2
109.73698	0.6
111.04506	1.4
116.92870	0.7
123.04520	1.3
125.09741	1.1
127.03997	4.1
135.04510	1.8
137.02431	2.5
141.70326	0.6
146.03725	1.2
147.04523	0.7
151.04044	0.9
154.22426	0.7
155.03481	0.7
157.41200	0.6
159.04489	1.4
161.02422	1.6
163.04044	1.0
165.01843	0.7
167.07123	1.3
171.03009	0.9
171.10297	1.2
172.05370	3.0
173.04524	4.5
173.05914	1.2
174.03183	1.2
175.03946	1.2
177.01990	1.1
179.03513	1.1
185.06097	4.2
187.03990	1.7
187.07661	0.9
189.01941	3.2
191.05611	100.0
192.05946	2.7
195.33440	0.6
197.06163	2.8
197.11833	4.9
199.04037	4.0
200.04723	2.5
201.05434	0.8
201.11263	1.5
202.06383	1.3
203.03465	0.8
204.04312	0.7
205.05109	1.0
209.06058	6.0
209.11833	2.5
211.04044	1.0
211.07729	1.1
213.05595	1.3
215.03615	0.5
215.12833	1.4
217.01427	2.6
223.07584	1.3
225.05540	0.8
225.09166	1.1
227.10783	2.8
229.05026	0.7
231.03139	0.6
235.07777	1.7
237.07468	0.8
249.09196	1.9
253.04941	1.2
253.09058	0.7
253.12201	2.8
263.10785	2.0
267.06476	1.3
268.11151	0.7
269.11780	2.7
271.09787	0.6
271.13425	1.2
277.12326	0.9
297.11343	1.9
309.11469	0.7
309.14648	1.1
327.15970	1.8
337.14523	0.9
341.06363	0.7
343.15521	0.9
355.11990	0.8
371.14990	1.3
372.15741	0.7
389.21170	4.5
399.14505	2.2
400.14670	0.7
407.22250	12.2
408.22708	1.5
425.23444	7.1
426.23871	1.0
433.20480	1.0
443.24310	6.3
451.21255	30.7
452.21628	4.1
469.22278	32.9
470.22665	3.7
487.13934	1.5
505.15094	1.5
520.17090	0.8
533.18207	0.9
564.16431	2.8
661.29187	5.4
662.29346	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	661.2862
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	2.5
60.92298	0.3
67.01875	0.7
69.03452	0.6
71.01392	1.7
73.02935	0.6
78.50087	0.3
81.03457	0.3
83.05042	0.6
85.02946	15.1
87.00876	3.1
89.02428	0.6
93.03454	5.2
96.96010	4.4
98.19847	0.8
99.04506	0.6
108.02171	0.3
109.02931	2.8
111.04552	1.5
113.02457	0.7
123.04524	0.6
125.02473	0.4
127.04021	3.5
133.02943	0.7
134.03755	0.4
135.04530	0.9
137.02419	1.2
146.03706	0.4
147.04544	0.5
159.04477	2.8
161.02446	2.4
171.02994	1.0
171.10251	1.2
172.05321	1.7
173.04526	2.0
173.05922	0.7
174.03166	1.1
175.03922	0.6
177.01936	3.6
183.04555	1.5
185.06087	1.8
187.03958	2.6
188.04631	0.5
189.01942	4.9
190.02567	0.6
191.05594	100.0
192.05925	2.8
196.05273	0.6
197.06091	0.5
197.11768	1.5
199.03967	3.5
200.04730	0.5
201.01993	0.4
201.05524	0.9
201.11278	0.5
203.03439	0.8
204.04343	0.5
205.04929	0.4
209.05971	0.7
209.11844	1.6
211.04001	1.2
211.07639	0.5
212.04681	0.9
213.05519	1.0
215.03249	0.3
215.12749	0.4
216.00595	1.9
217.01395	4.0
218.01793	0.5
219.03027	0.5
225.05562	0.6
227.03500	5.1
227.07152	0.4
227.10732	4.4
228.03841	0.6
229.01408	0.8
229.04993	1.2
229.08690	1.0
231.03061	0.7
237.05492	0.4
238.06218	0.5
239.03421	0.5
240.04289	1.8
241.10640	0.7
251.10745	0.5
253.05040	5.0
253.08879	0.7
254.05473	0.5
255.03020	0.4
265.12161	0.5
266.05795	1.1
269.11768	1.0
271.09671	0.8
297.11356	0.5
337.14395	0.8
338.15509	0.5
341.06638	4.7
342.06949	0.4
356.16101	0.5
381.13361	5.1
382.14151	5.9
383.14703	0.6
389.21524	0.4
399.14447	12.9
400.15198	17.5
401.15494	2.0
407.22403	1.8
425.23148	4.0
426.23367	0.7
427.21063	1.0
443.24338	1.5
451.21234	2.6
469.22256	50.8
470.22586	5.9
487.14560	0.3
497.90121	0.4
505.14993	0.5
515.17621	0.4
533.18225	2.7
551.19092	1.1
564.15430	0.6
643.22345	1.2
661.22791	2.0
661.29541	1.4
674.87372	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	661.2863
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	0.8
59.01367	2.1
61.98826	0.6
66.14471	0.4
67.01894	2.1
69.03456	0.8
70.89799	1.3
71.01364	2.6
73.02950	0.9
81.03462	0.5
83.05023	1.1
85.02948	9.3
87.00881	3.6
93.03458	16.7
94.03818	0.6
96.96012	1.0
99.04552	0.8
105.03459	1.1
106.49632	0.4
109.02943	2.1
111.04510	3.1
116.92864	1.7
121.02983	0.6
124.01690	1.1
125.02469	1.1
125.09721	0.6
127.04021	2.4
129.01981	0.5
132.02187	2.1
133.02951	10.3
134.03764	3.5
135.04520	34.1
136.04773	0.6
137.02452	2.5
150.03172	1.2
151.03992	1.8
151.11331	0.6
155.03462	1.0
158.07776	0.5
160.01581	2.1
161.02432	13.8
162.02834	0.8
165.12758	0.5
169.12343	1.7
171.02971	0.6
172.05344	0.6
173.04541	19.2
173.05913	1.0
174.03242	1.6
174.04800	0.8
175.03894	0.7
175.22343	0.5
177.01904	2.6
178.02696	2.6
179.03491	9.8
180.03851	0.6
183.04572	0.4
185.06067	0.4
187.04051	0.9
189.01892	0.7
191.05598	100.0
192.05998	3.5
197.11815	2.0
200.04805	0.9
215.05565	1.7
217.01427	1.5
217.62250	0.5
227.03438	0.9
253.05070	0.5
269.11746	1.6
307.08148	1.3
307.18918	0.6
308.09045	2.8
309.20605	3.3
351.07178	6.5
352.07803	3.6
353.08670	2.7
377.97495	0.5
381.13367	0.9
382.14020	1.7
399.14615	2.3
400.15106	1.4
425.23337	4.5
426.23544	0.6
443.24353	6.0
444.24509	0.6
449.08691	0.6
451.21539	2.4
469.22235	21.1
470.22644	2.4
487.23199	3.3
629.31812	2.6
661.28461	20.8
662.29279	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	661.2862
Annotation	Unknow
Peak:m/z	Relative Intensity
53.94013	0.3
57.03452	0.7
59.01374	2.1
61.98835	3.1
62.44644	0.3
67.01890	0.9
69.03468	0.4
70.62708	0.7
70.63041	0.4
71.01392	2.0
75.71463	0.3
79.86381	0.3
79.95734	0.3
81.03465	0.5
83.05021	1.1
84.21655	0.3
85.02946	14.4
87.00873	2.5
89.72700	0.4
93.02911	0.7
93.03455	5.9
96.96010	9.0
97.02959	0.3
99.04501	0.7
101.02465	0.5
109.02960	2.8
111.00867	0.4
111.04538	1.8
113.02446	0.5
121.02930	0.5
124.07834	0.4
125.02432	0.4
127.04013	3.6
133.02942	1.1
134.03737	0.8
135.04527	1.8
135.08249	0.4
135.44196	0.4
137.02480	1.2
146.03732	0.7
151.03909	0.6
155.03474	0.8
158.03745	0.7
159.04482	2.4
160.05254	0.4
161.02444	2.9
161.06078	0.5
163.03969	0.5
165.01961	0.4
167.07118	1.4
169.78964	0.3
171.02979	1.3
171.10257	1.4
172.05289	4.7
173.04530	2.8
173.06036	1.7
174.03226	0.5
174.06857	1.4
176.04694	0.4
177.01929	2.7
179.03496	1.0
183.04446	0.5
185.06078	3.2
186.06793	1.0
187.04004	3.5
188.04736	0.5
189.01888	2.2
191.05600	100.0
192.05943	2.2
196.05254	0.4
197.06075	1.1
197.11804	2.1
199.03979	3.8
199.07652	0.4
200.04739	0.7
201.01822	0.4
201.05542	1.0
201.11316	1.0
203.03398	0.5
204.04272	1.4
209.05984	0.6
209.11801	2.1
210.12175	0.4
211.03981	0.7
211.07698	0.4
212.04759	0.9
213.05551	6.6
213.09091	0.4
213.11214	0.7
214.06255	0.8
215.12843	4.2
216.00665	1.5
217.01363	1.8
225.05569	0.6
227.03452	4.4
227.07143	0.8
227.10757	10.1
228.11137	0.4
229.01378	0.7
229.05000	1.3
229.12492	0.4
239.07047	0.6
240.04266	0.8
243.13968	0.4
247.28679	0.4
253.04938	0.8
254.05878	1.4
255.02975	0.8
257.04468	2.2
257.15393	0.5
267.06558	0.6
269.11731	0.5
271.09772	3.3
271.12451	0.5
282.12546	0.7
283.13388	14.3
284.13718	1.0
295.13315	0.5
301.14392	3.7
309.14987	0.9
323.12692	0.4
325.10800	3.0
325.14407	1.6
326.11490	2.4
327.12494	1.6
337.14444	0.9
343.15591	1.0
345.13235	0.7
356.16168	1.6
359.15207	0.6
371.15094	1.1
374.17624	0.5
381.13812	0.5
382.14212	0.7
389.21152	1.5
399.14526	0.9
400.15164	1.8
407.22433	2.5
425.23355	3.3
427.21408	0.6
433.20197	1.0
443.24362	10.7
444.24905	1.6
451.21259	6.6
452.21359	0.8
455.12006	2.1
469.22275	82.1
470.22656	11.4
471.29190	0.4
487.14368	0.6
487.23404	1.7
515.17291	0.4
533.18347	1.8
564.16400	0.9
643.21979	1.3
661.30182	2.4
662.29150	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	661.2292
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03481	0.8
59.01364	1.8
61.98824	2.8
71.01395	1.1
71.61869	0.6
79.95744	0.9
85.02913	0.7
87.00885	0.9
93.03459	1.8
95.05039	0.8
96.96008	13.1
101.02442	0.9
108.02150	1.0
109.02950	10.1
110.06103	1.0
117.03471	0.8
119.05061	1.6
121.02913	1.8
122.03661	0.9
122.06112	4.4
123.04517	9.3
133.02939	3.5
134.03732	1.0
134.06123	1.9
135.04523	2.9
137.02423	3.3
145.03017	0.9
147.04518	3.1
150.03163	0.9
151.04008	4.8
159.04453	1.5
160.06361	0.7
161.02408	4.9
161.06114	0.9
163.03951	1.0
173.04520	2.5
174.05583	1.2
175.04012	2.1
176.01141	0.9
176.04764	2.4
177.01917	18.1
178.02287	0.9
179.03542	1.0
180.06638	0.8
187.04037	1.2
187.07483	0.7
189.01921	45.2
190.02644	6.7
191.03474	8.7
191.05580	5.2
197.11865	0.8
203.03484	4.3
213.10327	2.5
216.00598	7.4
217.01399	26.1
218.02074	3.5
219.02977	8.9
228.04121	0.8
231.02989	8.2
232.03561	1.6
239.11963	3.6
241.13452	2.4
253.08929	0.8
264.08966	1.6
265.09619	1.0
267.11328	0.8
277.09528	0.9
279.08014	0.7
279.11304	1.6
281.09161	0.7
283.13486	4.1
285.12402	9.0
291.11316	1.3
292.08514	1.8
293.09317	1.6
293.12692	0.9
301.14490	2.8
307.10843	7.0
308.11630	2.7
319.15521	2.1
323.05542	1.4
340.10529	1.4
341.06625	100.0
342.06888	8.3
350.09042	2.5
351.09784	5.9
370.15616	1.9
371.15414	0.9
372.17307	0.9
398.14987	1.7
412.16571	1.7
413.17596	1.4
430.17682	1.9
448.18845	0.7
474.16751	0.9
492.17627	2.1
499.12830	2.2
505.14651	1.0
506.19427	2.7
511.23642	1.0
533.18323	1.3
535.23602	2.8
538.21985	9.3
539.22742	1.3
553.24609	8.9
554.24823	1.1
579.23059	1.1
585.26630	1.4
597.23590	7.7
598.24402	0.8
611.25012	1.0
629.26013	18.2
630.26068	3.7
661.23010	6.8
661.29791	4.2
662.21948	1.7
676.62189	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	661.2292
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03481	0.8
59.01364	1.8
61.98824	2.8
71.01395	1.1
71.61869	0.6
79.95744	0.9
85.02913	0.7
87.00885	0.9
93.03459	1.8
95.05039	0.8
96.96008	13.1
101.02442	0.9
108.02150	1.0
109.02950	10.1
110.06103	1.0
117.03471	0.8
119.05061	1.6
121.02913	1.8
122.03661	0.9
122.06112	4.4
123.04517	9.3
133.02939	3.5
134.03732	1.0
134.06123	1.9
135.04523	2.9
137.02423	3.3
145.03017	0.9
147.04518	3.1
150.03163	0.9
151.04008	4.8
159.04453	1.5
160.06361	0.7
161.02408	4.9
161.06114	0.9
163.03951	1.0
173.04520	2.5
174.05583	1.2
175.04012	2.1
176.01141	0.9
176.04764	2.4
177.01917	18.1
178.02287	0.9
179.03542	1.0
180.06638	0.8
187.04037	1.2
187.07483	0.7
189.01921	45.2
190.02644	6.7
191.03474	8.7
191.05580	5.2
197.11865	0.8
203.03484	4.3
213.10327	2.5
216.00598	7.4
217.01399	26.1
218.02074	3.5
219.02977	8.9
228.04121	0.8
231.02989	8.2
232.03561	1.6
239.11963	3.6
241.13452	2.4
253.08929	0.8
264.08966	1.6
265.09619	1.0
267.11328	0.8
277.09528	0.9
279.08014	0.7
279.11304	1.6
281.09161	0.7
283.13486	4.1
285.12402	9.0
291.11316	1.3
292.08514	1.8
293.09317	1.6
293.12692	0.9
301.14490	2.8
307.10843	7.0
308.11630	2.7
319.15521	2.1
323.05542	1.4
340.10529	1.4
341.06625	100.0
342.06888	8.3
350.09042	2.5
351.09784	5.9
370.15616	1.9
371.15414	0.9
372.17307	0.9
398.14987	1.7
412.16571	1.7
413.17596	1.4
430.17682	1.9
448.18845	0.7
474.16751	0.9
492.17627	2.1
499.12830	2.2
505.14651	1.0
506.19427	2.7
511.23642	1.0
533.18323	1.3
535.23602	2.8
538.21985	9.3
539.22742	1.3
553.24609	8.9
554.24823	1.1
579.23059	1.1
585.26630	1.4
597.23590	7.7
598.24402	0.8
611.25012	1.0
629.26013	18.2
630.26068	3.7
661.23010	6.8
661.29791	4.2
662.21948	1.7
676.62189	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.3065
Annotation	Coproporphyrinogen I
Peak:m/z	Relative Intensity
55.01855	0.3
56.46543	0.3
57.03442	0.5
59.01376	2.7
61.98826	7.6
65.74602	0.3
71.01385	2.6
71.62459	0.3
72.99306	0.5
73.02936	0.6
78.95909	0.4
79.95737	0.6
83.01376	0.6
83.48730	0.3
85.02945	2.1
87.00881	0.5
87.30392	0.3
88.98842	0.3
89.02447	0.9
93.03458	3.0
95.01420	0.3
96.96002	18.5
97.02930	0.3
99.00883	0.5
101.02457	1.4
107.04999	0.3
109.02966	1.1
113.02457	0.9
117.03440	1.4
121.02976	1.1
123.00960	0.3
123.04514	0.9
123.83442	0.3
125.02425	1.2
132.02153	1.5
133.02950	29.9
134.03639	1.2
135.04526	10.3
137.02461	2.7
139.04045	0.3
145.02863	0.3
147.04520	0.5
149.02449	0.3
151.03992	0.8
159.04527	0.3
160.01642	0.4
161.02432	100.0
162.02765	4.1
163.03986	0.6
165.01933	0.8
166.02704	0.3
167.03372	0.5
173.04582	1.9
173.05942	0.4
175.03981	0.7
175.07686	0.3
177.01932	0.3
177.05573	0.4
179.03481	6.7
180.04042	0.6
187.04022	0.4
188.04807	0.3
189.05486	0.3
191.03705	0.5
191.05586	7.4
192.05969	0.4
193.84860	0.3
194.74242	0.3
195.06590	0.5
203.03583	0.3
209.04579	0.3
209.11734	0.3
217.04797	0.3
219.02948	0.4
220.91859	0.3
221.04489	0.6
225.80682	0.3
227.03241	0.3
229.01517	0.4
245.08311	0.5
263.05627	0.3
281.06683	0.5
289.07184	1.1
335.22211	0.9
353.08902	0.5
371.09509	0.3
380.27032	0.3
409.12973	0.4
417.10086	0.3
449.12808	0.5
467.13614	1.2
641.29852	1.6
642.30536	0.4
659.30719	74.4
660.31085	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	659.2473
Annotation	Unknow
Peak:m/z	Relative Intensity
58.57069	0.5
59.01371	1.6
61.98810	1.1
71.01361	1.4
78.62671	0.5
83.20287	0.5
85.02946	1.1
87.00878	1.0
88.98788	0.7
89.02466	0.9
93.03442	3.0
96.95999	5.3
101.02455	0.7
109.02962	0.6
113.02422	0.8
114.38474	0.4
120.34227	0.4
121.02950	100.0
122.03274	4.1
125.02414	1.0
127.46227	0.5
133.02931	1.1
135.04485	1.1
137.02446	6.6
160.01701	0.6
161.02429	2.6
173.04539	0.9
175.03926	1.1
179.03526	0.6
191.05602	4.2
213.10881	0.5
289.07230	0.8
301.03442	0.6
329.71475	0.5
335.22321	0.9
355.17331	0.5
499.21991	1.1
501.23459	9.7
502.23694	1.4
536.65784	0.5
621.25354	2.5
622.26196	0.8
623.27057	12.2
624.27167	2.3
659.23883	13.8
660.23804	2.9
665.36151	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.2716
Annotation	Unknow
Peak:m/z	Relative Intensity
52.11242	1.5
59.01377	6.9
61.39347	1.2
61.98831	18.1
69.03458	1.9
71.01375	5.1
71.61833	1.8
72.99282	1.2
73.02940	1.5
77.37865	1.2
78.95867	1.5
79.95705	1.7
83.01353	1.7
85.02947	3.1
87.00869	2.5
88.98790	3.4
89.02415	1.7
93.03445	4.5
94.06614	23.2
96.96001	24.3
97.02947	1.3
101.02427	2.3
106.06619	13.9
109.02920	2.5
113.02481	1.9
114.01976	1.6
116.92846	4.0
118.06630	11.5
120.08198	8.1
121.02932	4.9
122.06120	7.9
124.07693	12.1
125.02430	3.0
128.03452	2.0
131.04550	1.7
132.04536	2.4
133.02927	4.4
134.03664	1.3
134.06105	1.7
135.04518	4.6
136.07683	4.2
137.02425	5.1
144.04510	2.8
149.02490	1.6
150.05643	3.0
151.04015	1.9
158.02521	1.6
160.04013	2.4
161.02422	7.9
165.01895	1.2
168.06599	2.3
171.10313	6.0
173.04530	5.5
175.03941	1.6
176.03496	1.3
177.02007	2.0
179.03545	2.0
185.11844	4.0
190.05089	4.7
191.05583	21.7
195.10280	2.1
197.11824	5.0
207.10297	1.4
209.11847	12.6
213.11356	2.5
215.12016	1.3
220.26724	1.1
223.08725	2.4
224.09595	1.7
225.06601	1.6
225.11258	1.4
227.12875	3.4
233.95613	1.1
237.07726	1.9
237.10231	3.1
239.08229	1.4
239.11827	8.0
241.09785	2.3
241.13568	1.5
249.10114	1.4
251.08386	2.2
251.11885	1.8
253.06145	2.7
253.09564	3.7
253.36360	1.3
255.11349	1.5
257.12988	4.4
258.01566	5.8
259.02316	2.3
263.08252	2.7
264.08939	1.9
265.09753	2.4
266.06854	2.8
267.07703	5.7
267.11325	2.2
269.12918	4.2
271.02551	2.4
271.14471	3.7
272.03119	1.3
273.03943	2.6
277.09839	4.3
279.07751	5.1
279.10855	1.4
280.08347	3.6
281.09332	8.9
283.10818	16.4
284.11353	2.4
287.10416	3.8
287.13885	2.9
289.07022	2.3
291.07751	8.3
292.08151	2.1
293.09238	4.4
294.10126	1.8
295.10852	14.1
296.11273	1.8
297.12445	1.8
301.03516	14.7
306.10141	8.0
307.10757	1.8
309.08902	1.8
309.12253	1.6
313.11963	2.9
323.07428	2.3
325.99509	1.4
326.12863	1.6
327.13412	3.2
331.04556	6.6
350.09012	12.3
388.16299	2.9
402.18164	2.5
410.15451	2.2
411.16214	1.6
418.17850	6.5
420.19223	15.6
421.19476	1.9
446.17096	3.1
450.20209	3.0
464.18274	4.7
467.20639	4.2
478.19788	3.5
490.16217	4.9
496.20905	20.3
505.18607	2.9
522.18842	5.5
537.20728	2.0
551.23047	2.7
565.24615	8.9
566.33154	5.0
567.33588	1.7
583.24811	1.7
601.18207	1.5
609.23584	13.6
610.24408	1.9
627.24567	14.7
628.24799	1.7
629.26184	5.2
641.26141	100.0
642.26367	18.3
659.27197	59.7
660.26685	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	659.2471
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	4.7
61.98823	11.5
68.39198	0.8
70.23267	2.0
70.23663	1.6
71.01373	3.7
73.02927	0.9
74.55193	0.9
85.02932	3.0
87.00855	1.3
88.98784	2.5
89.02448	1.4
91.19061	1.0
93.03434	7.5
96.96003	20.8
101.02437	2.8
109.02966	2.5
113.02405	1.3
119.05014	1.4
121.02950	100.0
122.03264	2.3
123.04498	2.6
125.02431	3.7
127.04074	1.1
128.03528	1.3
131.04573	1.3
133.02953	5.2
134.03731	1.5
135.04515	5.6
137.02437	11.3
141.24156	1.0
146.03650	1.1
149.02452	1.8
151.03984	3.1
155.03456	1.0
161.02428	15.8
162.02805	1.9
163.03984	1.9
165.01898	1.3
171.06549	1.5
173.04559	5.9
175.03978	2.0
177.01892	1.5
179.03490	3.8
189.01877	1.3
191.05603	23.6
192.05885	1.8
193.04916	1.4
203.07198	1.2
209.11823	3.2
219.02930	0.9
221.04578	1.1
229.01305	1.1
245.08174	1.0
286.07239	1.0
289.07138	3.6
295.05835	1.0
301.03461	2.8
309.99094	1.0
323.07651	1.2
332.04434	0.9
353.08786	1.2
354.08966	1.1
395.43375	1.0
451.57269	0.9
467.13885	1.7
481.16965	1.0
596.27832	2.4
623.27179	4.9
659.24072	15.9
660.23358	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	659.1607
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03428	0.3
59.01372	1.0
59.28862	0.3
67.01878	1.0
70.96281	0.4
71.01364	1.0
71.61191	0.5
71.61604	0.5
74.02496	1.8
81.03432	0.4
85.02945	7.7
87.00867	2.5
93.03450	8.2
96.95975	0.5
101.11574	0.4
105.03445	1.6
107.05019	0.6
108.02194	0.8
109.02936	4.2
111.04521	2.0
116.03561	0.7
121.02950	0.7
125.02428	1.6
125.24301	0.3
127.04018	1.3
128.03491	0.6
133.02951	9.9
134.03445	0.4
135.04518	6.5
137.02432	0.7
143.04640	0.5
144.04651	0.4
150.03259	0.6
155.03494	0.5
157.02898	0.4
159.04469	0.7
160.01547	0.6
161.02423	3.9
165.00128	0.5
167.01689	0.8
171.02913	0.5
173.04521	6.0
175.03944	0.4
177.01895	3.6
179.03452	3.4
185.02405	0.7
191.05594	100.0
192.05954	6.4
192.99628	4.5
193.99930	2.3
194.99144	0.4
195.02962	0.5
203.03479	1.1
215.05586	5.4
229.01375	2.1
231.12062	0.4
261.08826	1.8
263.58649	0.4
272.08847	0.5
273.09250	0.7
277.04953	0.7
282.75531	0.4
295.05994	1.8
299.07712	1.6
305.06625	1.6
307.08218	1.5
308.09000	0.4
321.03964	1.1
339.05005	5.3
351.02780	0.7
351.07153	12.9
352.07602	1.1
353.08740	9.3
354.09134	0.9
385.06113	2.0
386.06238	2.4
387.06094	0.6
401.85800	0.4
459.80569	0.5
467.09735	4.7
659.16107	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	659.1607
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	0.7
59.01370	1.1
67.01884	1.3
71.01366	1.2
71.61976	0.7
74.02468	1.3
83.05018	0.4
85.02946	6.0
87.00871	2.7
93.03452	7.7
96.95978	0.6
98.02513	0.4
105.03455	0.8
108.02162	1.8
109.02951	4.3
111.04507	2.2
116.03522	0.6
119.04995	0.7
121.03070	0.5
121.91728	0.4
123.04492	0.7
125.02450	1.5
127.04032	1.9
133.02957	10.5
134.03157	0.8
135.04510	7.6
136.04883	0.4
137.02399	0.7
150.03162	0.4
151.03981	0.5
152.01137	1.3
153.01938	0.8
159.04468	0.7
161.02420	3.8
171.02995	0.7
172.75705	0.4
173.04524	6.0
175.04030	0.4
177.01938	3.7
179.03514	3.5
180.45946	0.4
181.52913	0.4
185.02367	1.0
191.05597	100.0
192.05914	4.3
192.99469	0.9
193.05997	0.4
193.99812	0.5
203.03398	0.8
207.83640	0.4
215.05632	6.4
219.12448	0.5
227.61638	0.4
228.03432	0.4
229.01405	2.2
261.08777	2.4
264.04218	0.4
277.04935	0.9
293.04498	0.4
295.06027	2.3
299.07660	2.3
305.06744	0.9
306.00717	0.4
307.08237	1.5
321.03970	1.1
339.05072	5.0
351.07172	13.1
352.07468	0.9
353.08719	11.8
354.09116	0.9
386.06052	0.4
467.09885	3.7
468.09946	0.6
584.64404	0.4
601.25317	0.5
659.15594	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	657.3854
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03433	1.0
59.01376	2.5
60.87395	0.3
61.98828	3.1
63.46950	0.3
70.89975	0.6
70.90281	0.5
71.01377	2.0
79.95731	0.4
82.82717	0.5
85.02943	1.4
87.00880	1.0
88.98795	0.5
89.02438	0.7
93.03455	1.1
95.01375	0.5
96.96012	3.0
99.04527	0.6
101.02415	0.8
108.02203	0.9
109.02930	1.9
111.04494	0.9
113.02430	0.6
121.02949	1.0
121.06592	1.0
122.03733	1.2
122.06047	0.5
123.04504	1.1
125.02437	1.4
127.11275	0.4
133.02936	0.5
134.03738	0.8
134.06158	0.4
135.04546	3.4
136.05296	34.9
136.07594	1.1
137.02428	1.8
137.06036	0.8
137.09709	0.9
138.01956	4.8
147.08144	1.1
149.06075	7.7
150.03185	0.6
150.06873	3.7
151.03981	0.6
151.07591	0.4
153.01906	1.5
155.10736	0.6
161.02422	1.6
162.06819	2.8
163.07628	1.3
164.08430	4.0
165.01889	0.4
165.09189	14.7
166.09573	1.0
171.10141	0.4
173.04485	1.0
179.03458	0.7
179.07036	0.5
191.05595	6.4
192.06015	0.5
205.08470	0.5
209.11778	2.5
211.13368	2.9
214.12260	0.8
217.06947	0.4
225.11327	0.5
242.10521	0.8
257.12891	5.2
265.21701	0.6
283.22690	0.8
289.07169	0.9
301.11884	6.9
302.11972	0.6
315.21759	0.5
327.25464	0.4
329.23315	6.4
416.29364	0.6
431.31631	1.4
433.33279	0.6
434.30203	3.7
448.31973	1.2
449.32672	16.3
450.32971	1.9
476.31238	1.2
477.32233	3.5
494.32498	2.7
495.33264	27.4
496.33466	4.4
657.38507	100.0
658.28027	0.6
658.38733	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	657.2568
Annotation	Unknow
Peak:m/z	Relative Intensity
50.83787	0.8
59.01370	3.9
61.98825	6.5
67.01890	1.3
71.01372	3.4
71.62880	0.9
78.95892	1.5
85.02941	2.5
87.00864	1.2
89.02473	1.7
93.03439	2.9
93.08704	0.9
94.06620	18.3
95.01363	1.1
96.96011	21.5
96.96963	0.9
97.02946	1.1
101.02433	1.3
106.06622	10.9
107.03813	0.9
108.04565	1.5
109.02925	2.7
113.02495	0.9
121.02923	2.0
122.06116	3.6
124.07688	12.9
125.02412	2.6
132.04532	3.6
133.02829	1.5
134.06117	61.9
135.04506	2.0
135.06436	2.0
137.02454	2.9
144.04572	1.4
150.05617	1.2
150.50819	0.9
151.03984	1.3
160.04048	5.1
161.02432	2.9
171.10197	1.7
172.03993	1.9
173.04559	2.7
175.03964	1.1
176.03546	2.6
176.07159	1.0
177.01927	1.4
179.03447	1.6
190.05106	6.9
191.05612	14.5
202.05029	0.9
207.10188	1.7
209.11806	9.1
210.12077	3.4
211.13367	4.0
215.11855	1.6
223.08731	1.2
224.09407	1.8
227.08095	1.5
237.10065	1.4
239.11856	5.0
240.10214	0.9
241.09837	1.7
251.11880	1.6
253.06062	3.0
253.09500	1.9
255.11314	4.1
257.12924	1.5
265.09741	1.8
267.07687	5.9
267.11304	2.4
268.08484	3.3
279.07712	1.2
280.08459	2.4
283.10870	28.8
284.11264	2.4
285.12442	15.7
289.07184	1.7
295.10916	9.1
297.12347	1.5
298.12897	0.9
301.03537	1.4
309.08875	2.0
309.12405	2.7
311.13812	1.0
313.11847	2.5
327.09866	1.8
327.13461	4.1
331.04422	1.2
359.12738	1.3
360.13211	1.0
376.20160	2.0
402.17978	3.0
420.19284	21.3
421.19601	3.5
446.17035	3.1
452.21945	1.7
464.18216	8.7
465.18347	1.6
478.19769	3.9
496.20883	43.1
497.21115	5.3
581.24200	1.5
619.25555	1.2
625.23047	11.6
626.23450	2.1
636.91589	0.9
657.25580	100.0
658.25836	18.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	657.1955
Annotation	Unknow
Peak:m/z	Relative Intensity
56.44631	2.9
58.05827	3.0
59.01379	14.2
59.49402	2.9
61.48728	3.0
61.98839	23.0
71.01374	9.3
71.62242	3.3
79.95740	2.9
80.96471	3.5
83.05060	3.2
85.02936	12.4
89.02444	2.9
93.03448	6.2
96.96013	26.4
97.02861	2.9
100.71576	2.9
101.02413	6.8
109.02926	4.5
109.06580	4.3
111.04500	3.7
113.02365	2.8
119.04977	2.9
121.02949	7.1
121.55558	3.2
133.02924	7.7
135.04521	7.9
136.05296	26.0
137.02405	7.9
137.05638	9.3
149.02481	3.5
149.06093	6.0
150.06874	8.7
161.02382	11.2
163.03882	3.1
165.09161	11.4
166.09575	4.7
166.32898	2.9
166.45364	2.8
173.04515	9.4
175.03987	3.5
179.03467	5.5
179.10841	3.2
185.11789	3.0
191.05611	34.8
195.10255	5.3
197.11728	3.0
209.11844	8.8
211.13368	9.5
231.06981	5.2
237.07658	100.0
238.08049	4.9
242.57323	2.9
287.05484	4.3
289.07071	3.5
327.21545	5.4
328.21976	5.6
353.08649	4.3
365.17801	3.4
447.30826	6.3
448.31689	6.1
449.31931	4.3
493.31573	7.8
494.31650	13.9
495.31787	8.5
495.37872	4.9
603.48932	3.3
625.22369	3.5
656.37415	48.1
657.19250	9.1
657.28583	5.8
657.37708	59.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	657.1824
Annotation	Unknow
Peak:m/z	Relative Intensity
53.60837	0.4
57.03450	2.3
57.24419	0.4
59.01406	1.0
61.98863	1.2
69.03485	1.0
71.01426	1.1
72.92484	0.4
75.00918	0.6
79.95752	0.5
81.03470	2.6
83.01391	3.8
85.02999	1.8
87.00903	0.8
89.02476	0.5
93.03459	4.4
95.01415	0.7
95.05014	2.6
96.95997	6.1
97.02952	5.9
98.19922	1.0
101.37096	0.4
107.01366	0.4
107.05046	0.5
108.02179	1.0
109.02947	19.2
110.03342	0.7
111.04549	0.8
113.02500	0.7
115.00313	0.5
119.01373	0.5
121.02937	3.5
122.03805	1.1
123.04517	14.3
125.02441	16.3
127.04013	0.5
131.05058	0.5
132.82501	0.4
133.03021	1.6
135.04506	4.6
137.02437	27.6
138.03181	0.5
139.04005	3.8
145.03024	1.3
146.03796	1.2
147.04570	0.8
149.02429	5.2
150.03265	1.6
151.03987	8.4
152.04346	0.5
153.01973	1.7
159.04515	2.2
161.02441	6.4
161.04663	0.7
161.06065	4.6
162.03246	1.7
163.00415	0.7
163.04007	2.1
164.01138	4.9
164.04782	0.9
165.01913	6.6
165.05531	0.5
167.03543	1.9
173.04570	3.2
174.03122	0.7
174.06767	0.6
175.00403	1.8
175.03978	3.3
175.07677	1.5
176.01131	1.2
177.01985	0.9
177.05605	0.7
179.03497	7.9
185.06119	1.0
187.04018	5.0
187.07567	0.5
188.04723	2.8
189.01884	2.1
190.02725	4.9
191.03583	2.5
191.05589	15.0
191.07347	0.7
192.06032	0.8
193.04953	0.5
199.07616	0.6
201.05663	0.9
202.06372	1.6
203.03523	1.0
203.07130	10.9
204.07597	0.8
205.05038	13.0
212.04774	0.8
217.08687	0.7
221.08154	2.6
223.06093	1.1
227.07091	2.2
229.04984	0.6
231.03090	0.9
241.05016	0.9
243.03156	0.5
245.08159	16.2
246.08629	1.2
247.06180	0.9
271.06082	1.3
271.09796	0.9
279.06232	0.6
285.04086	0.5
289.07156	100.0
290.07529	7.7
303.08682	1.5
303.13419	0.8
313.07095	1.0
325.09521	0.6
337.09476	0.6
353.08807	2.2
355.08667	0.5
367.10352	5.9
405.68781	0.5
451.12405	7.5
452.12299	0.6
505.13538	1.0
657.17847	14.4
658.18250	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	655.2966
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	0.4
56.34904	0.3
57.03432	0.6
58.00592	0.7
58.37213	0.3
59.01377	18.1
61.98815	0.5
69.03440	0.8
70.92860	0.4
70.93183	0.5
71.01380	11.7
71.05023	0.4
72.99298	1.5
73.02945	8.2
78.11323	0.3
81.03445	0.3
83.01405	1.5
85.02949	5.8
86.00088	1.5
87.00874	6.9
87.04499	3.1
88.98778	0.4
89.02437	6.4
93.03423	0.3
95.01377	0.5
97.02916	0.5
99.00862	0.4
101.02441	9.1
103.04002	2.7
113.02449	4.8
115.03282	0.4
115.04012	5.2
119.03499	2.6
119.73099	0.2
125.02435	0.5
127.03972	0.5
131.01335	0.3
131.02528	0.4
131.03496	6.9
135.04489	0.3
143.03502	7.1
145.05081	1.5
161.04614	0.5
163.06136	2.5
191.05644	0.9
205.07132	4.8
247.56096	0.3
275.49750	0.2
285.18530	2.2
286.18991	0.4
303.19690	1.5
465.24731	0.9
593.29865	0.5
611.30664	100.0
612.31006	15.1
655.37408	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.3325
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	1.8
59.01374	9.0
61.98819	4.4
62.82883	1.1
69.03447	1.6
69.85687	6.5
71.01377	4.5
78.59647	1.0
79.40273	1.0
81.03439	1.2
83.05029	2.0
85.02914	1.5
89.02439	2.8
92.76941	1.2
93.03445	2.3
96.96010	2.5
97.02959	1.4
97.06583	4.8
98.20596	2.5
101.02423	4.3
109.06548	2.3
113.02420	2.1
117.33525	1.1
124.71538	1.3
125.02444	1.8
128.63445	1.1
129.67139	1.1
135.04530	3.2
137.02454	1.6
145.05040	1.4
151.11287	12.7
158.75815	1.1
161.02455	1.3
167.10721	2.1
169.12325	66.3
170.12628	2.6
171.10182	1.2
179.03587	2.5
179.05626	1.0
179.14278	1.2
191.05565	2.7
195.10222	2.4
195.13904	6.5
199.13538	1.1
205.12256	6.6
207.10245	3.8
209.11783	15.1
211.13376	5.7
213.11313	11.2
223.13364	25.6
225.11296	4.2
235.08096	1.9
253.09140	2.6
350.19989	1.2
419.24435	1.7
431.19119	2.3
449.20386	6.6
487.34128	2.7
637.32025	3.9
655.33282	100.0
656.33588	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	655.3692
Annotation	Russelioside A
Peak:m/z	Relative Intensity
57.03435	1.2
59.01380	2.8
61.98817	2.8
69.84543	2.0
71.01365	1.3
73.67455	0.4
78.95898	0.8
83.04980	0.5
85.02938	1.1
87.00891	0.6
88.98795	1.2
93.03413	1.0
95.04980	0.6
96.95996	1.1
99.04510	0.7
109.06574	0.5
111.04503	0.8
121.06596	1.3
122.03718	1.0
123.04529	0.6
125.02451	0.8
125.09668	0.6
135.04549	3.0
135.08176	0.4
136.05293	36.8
137.02403	0.6
137.05650	1.2
147.08202	0.8
149.06056	6.9
150.06853	4.1
153.09178	0.6
157.08679	0.5
161.02417	1.1
162.06871	2.6
163.07614	1.5
164.08418	5.5
165.09195	17.9
166.09520	0.7
171.10265	1.4
173.04538	0.8
179.10747	0.6
191.05600	3.5
207.10295	0.8
209.11810	3.0
211.13391	0.7
227.12851	1.2
229.14427	0.5
263.20004	0.5
279.23340	0.5
281.21167	0.7
289.06964	0.5
315.73898	0.4
327.21722	10.5
414.27493	0.8
429.30042	1.9
432.28708	3.5
433.29324	0.7
446.30072	0.9
447.31104	13.4
448.31470	1.8
474.29819	1.3
475.30594	3.0
492.30762	2.8
493.31622	28.5
494.31964	3.5
637.33295	0.7
655.36920	100.0
656.37268	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	655.2599
Annotation	Unknow
Peak:m/z	Relative Intensity
52.11039	0.5
57.03453	0.5
59.01377	3.0
61.98826	1.5
65.00323	0.8
71.01382	3.2
71.62657	0.5
73.02946	0.9
83.01405	0.5
85.02948	3.7
87.00870	1.1
88.98780	0.9
89.02448	2.0
91.01878	2.9
93.03449	3.1
95.01380	0.7
96.96009	7.6
97.02930	0.6
99.00875	0.5
101.02419	1.5
103.58972	0.5
108.02193	0.6
109.02944	63.5
110.03291	1.7
113.02434	0.9
116.92818	0.8
119.04998	0.7
123.04517	1.3
125.02440	3.5
127.03968	0.6
133.02939	1.3
135.04510	5.2
137.02438	2.7
138.97173	0.7
145.02922	0.5
149.02434	0.8
150.03236	0.5
151.04001	1.6
153.01923	100.0
154.02286	2.7
161.02425	3.3
162.02919	0.5
163.03940	0.7
165.01884	0.7
173.04555	2.0
177.01863	1.4
179.03452	3.2
187.04024	0.6
189.01921	1.6
190.02719	0.7
191.03694	0.9
191.05589	27.6
192.05975	1.2
195.06610	0.6
217.01407	1.5
217.47618	0.5
229.04910	0.5
245.08321	0.6
285.04025	1.2
289.07141	1.8
297.03946	1.1
301.03455	1.5
301.11765	0.7
331.04584	0.9
341.06635	3.0
353.08777	1.3
399.18536	0.6
447.78113	0.5
449.14896	0.6
451.10242	1.7
455.12064	0.8
456.12003	0.6
463.10361	6.6
473.12665	0.7
525.98279	0.5
557.08844	0.8
593.14618	0.8
619.16589	0.9
655.26019	63.5
656.26349	10.5
673.29736	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.1665
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	0.4
59.01369	1.0
60.99302	1.5
61.76363	0.3
67.01889	3.7
69.03455	1.0
69.32078	2.7
71.01365	1.4
77.74209	0.4
81.03448	0.9
83.05039	0.8
85.02952	4.5
87.00863	5.9
93.03450	25.5
94.03782	0.7
96.96011	0.7
99.00846	0.6
99.04517	0.6
109.02955	0.6
111.04510	4.0
113.02412	0.7
116.52225	0.3
117.03463	1.4
121.04538	0.3
127.03998	1.1
129.01897	0.6
129.27904	0.3
134.03728	9.0
137.02423	0.6
149.06013	0.6
155.03484	1.2
162.11142	0.3
171.02948	0.3
171.15109	0.3
173.04536	16.1
175.03973	0.8
191.05594	100.0
192.05952	2.8
193.05019	6.0
194.05325	0.4
249.04066	0.3
256.19812	0.3
293.88406	0.3
300.24353	0.3
346.78210	0.4
367.10284	36.0
368.10681	2.9
380.91788	0.4
392.38126	0.3
407.26068	0.4
476.53278	0.4
494.28751	0.4
542.58789	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.3611
Annotation	Unknow
Peak:m/z	Relative Intensity
54.16249	0.3
55.63968	0.3
61.98835	0.4
62.17256	0.3
69.73990	1.8
73.59671	0.2
85.91711	0.3
87.54359	0.3
117.03461	2.6
119.05024	45.1
120.05331	1.6
132.05801	1.3
145.02957	3.9
163.04002	60.8
164.04320	1.8
407.32944	0.4
444.08374	0.4
453.33722	18.9
454.33957	2.9
617.38422	100.0
618.38776	17.9
633.02173	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.3768
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	1.2
57.03441	1.0
58.00591	2.1
59.01377	43.7
60.01707	0.5
60.15973	0.2
66.82907	0.2
67.01878	0.3
68.99821	0.3
69.03455	2.5
71.01379	33.3
72.01700	0.4
72.99306	2.2
73.02943	5.8
73.20834	0.2
75.00863	0.7
81.03458	1.7
83.01384	4.4
85.02949	7.4
86.00119	0.3
87.00872	8.7
87.04527	0.3
89.02439	32.6
89.84494	0.2
90.02782	0.5
91.03996	0.8
93.03455	0.3
95.01382	3.0
95.05038	0.3
96.48438	0.2
97.02946	6.2
99.00885	2.0
99.04486	0.5
101.02438	29.4
102.02773	0.7
103.03989	0.3
109.02959	0.6
111.00872	0.6
111.04513	0.9
112.01661	0.3
113.02443	13.9
114.26493	0.2
115.03999	0.7
119.03498	8.7
119.04990	3.7
120.10355	0.3
121.02943	0.8
124.01657	0.3
125.02439	13.4
126.02687	0.3
127.03992	0.6
131.03491	1.7
133.05072	1.0
137.02448	0.4
139.03992	1.1
141.01942	0.4
143.02394	0.4
143.03503	6.1
149.02461	0.3
149.04543	1.0
161.04561	6.4
163.03986	4.7
167.03500	0.8
169.05037	0.4
171.03015	0.2
179.05586	6.1
182.29684	0.3
185.04555	0.6
199.06139	0.6
217.07082	1.3
219.05132	0.3
221.06641	2.6
235.08202	14.9
236.08479	0.6
237.22116	0.3
245.06653	0.9
253.09250	3.1
255.23270	99.7
256.23621	8.4
256.26224	0.3
263.07663	1.5
269.24792	0.5
277.09265	1.0
287.07712	4.5
288.08121	0.3
297.24469	0.4
305.08752	4.7
306.09134	0.4
323.09717	1.6
338.60040	0.3
361.11224	0.5
366.97507	0.3
379.12338	0.9
397.13474	100.0
398.13828	7.5
415.14545	34.7
415.20346	0.5
416.14819	1.9
422.04559	0.3
453.33771	1.8
617.38440	8.6
618.38824	1.6
653.37506	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.1718
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	0.8
67.01875	0.3
70.31124	0.8
71.01364	0.7
71.20415	0.3
75.66293	0.3
80.92825	0.3
81.03430	0.3
85.02935	5.2
87.00883	1.0
93.03454	2.8
101.14835	0.4
103.50819	0.3
108.02164	16.8
109.02955	3.1
111.04525	0.7
127.04012	1.3
133.02956	0.9
135.04503	2.9
137.02431	0.5
150.48387	0.3
152.01132	11.8
153.01936	4.3
154.02368	0.3
155.03560	0.4
156.64709	0.3
161.02373	1.5
163.03896	0.4
170.78084	0.4
171.02846	0.3
173.04518	4.2
175.94949	0.4
176.84161	0.3
179.03459	3.3
191.05588	100.0
192.05931	3.7
299.07684	16.9
300.07993	0.8
353.08740	18.4
354.09058	1.0
401.93195	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.3009
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01358	0.6
61.98819	0.7
70.86790	1.3
78.95900	100.0
144.81789	0.5
149.00133	4.7
149.92590	0.5
152.99643	0.9
205.15965	2.6
209.11667	0.7
222.22083	0.7
222.94492	0.5
255.23178	1.0
285.12656	4.0
286.13016	0.6
295.35260	0.7
311.22116	0.7
312.09259	0.5
321.17047	1.6
346.91098	0.5
355.16687	2.3
385.17499	1.1
433.00769	0.6
447.13428	4.8
517.05377	0.6
635.35107	0.6
653.30054	61.6
654.30518	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	652.4428
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98827	100.0
71.29174	0.4
74.69635	0.3
78.95913	0.3
96.96021	0.3
128.88760	0.3
309.20651	0.4
356.87363	0.3
653.37396	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.1716
Annotation	Unknow
Peak:m/z	Relative Intensity
57.28181	0.2
59.01371	0.5
64.98376	0.2
66.77821	0.3
71.01398	0.3
71.10413	0.2
81.03436	0.5
85.02940	4.8
87.00877	0.9
93.03465	2.2
98.20683	0.4
102.88606	0.2
108.02164	15.5
109.02985	2.9
111.04499	0.5
120.46218	0.2
127.04004	1.5
133.02939	0.8
135.04489	1.2
151.03978	0.4
152.01137	11.2
153.01929	3.6
161.02440	1.5
167.97667	0.2
171.03023	0.4
173.04478	1.8
174.19464	0.3
179.03423	1.4
191.05589	100.0
192.05952	3.5
299.07681	16.0
299.12698	0.3
300.08047	1.1
352.07846	0.4
353.08722	14.6
354.09113	0.7
410.80518	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	651.1929
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01908	0.3
56.87447	0.3
59.01372	2.5
61.37270	0.3
61.98830	0.9
65.00328	0.5
66.12948	0.3
66.31308	0.3
69.03458	0.3
71.01373	2.5
72.99293	0.5
73.02952	0.7
75.00887	0.4
82.98164	0.3
83.01404	0.4
83.05035	0.3
85.02953	1.1
89.02415	1.9
91.01898	2.1
91.05534	0.5
93.03448	2.5
95.01426	0.3
96.96033	0.8
97.02963	0.6
98.20645	0.5
99.00838	0.6
101.02408	0.8
108.02153	0.7
109.02988	0.6
113.02449	0.4
115.03988	0.4
117.03462	1.3
119.01407	1.6
119.05029	4.5
121.02949	11.3
121.03844	0.5
122.03256	0.3
123.04505	1.4
125.02444	1.2
125.09684	0.7
132.02155	0.9
133.83420	0.3
134.03772	0.4
135.04523	1.3
137.02434	13.4
145.02940	1.0
147.00945	0.7
147.04495	3.5
149.02429	58.2
150.02719	2.1
151.03993	15.3
152.01173	0.8
152.04343	0.7
161.02393	0.5
163.04004	7.6
164.04781	54.2
165.01953	0.6
165.05074	2.0
167.03520	3.1
167.85655	0.3
173.04588	0.4
175.00345	4.8
179.03523	0.3
179.07120	5.7
187.09740	0.5
190.02698	11.3
191.03043	0.4
191.05583	2.4
201.11290	0.6
205.05043	9.8
206.05409	0.7
208.03761	0.7
223.06090	100.0
224.06419	4.8
233.06557	0.3
237.07637	0.4
239.05602	1.0
265.07065	0.6
295.08475	0.3
299.07733	0.6
341.08670	0.4
350.66418	0.3
397.11713	0.3
433.98801	0.3
439.12457	0.5
499.14539	19.9
500.15085	2.2
502.02509	0.3
651.19220	1.9
651.30719	2.3
651.39911	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	650.427
Annotation	Unknow
Peak:m/z	Relative Intensity
51.65875	0.2
60.43323	0.2
61.98826	100.0
67.99572	0.2
70.09505	1.1
74.90285	0.2
78.95910	0.7
152.99623	0.4
175.72699	0.2
185.15433	0.2
199.91019	0.2
224.62700	0.2
255.23328	0.7
309.20636	0.3
364.82462	0.3
386.90955	0.2
389.19342	0.3
619.36542	0.4
645.87225	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	650.4274
Annotation	Unknow
Peak:m/z	Relative Intensity
50.28142	0.2
55.32113	0.3
61.98825	100.0
71.36749	0.4
73.65531	0.2
78.95502	0.2
78.95896	1.1
92.58730	0.2
152.71371	0.2
152.99597	0.6
247.77750	0.2
255.23331	1.2
289.18060	0.3
307.19089	0.3
391.22665	0.4
429.15057	0.3
619.36603	0.8
651.38818	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	649.3735
Annotation	Unknow
Peak:m/z	Relative Intensity
55.00595	0.6
59.01367	1.9
61.98822	1.0
64.74629	0.6
71.01376	1.0
71.18372	1.4
73.21626	0.6
79.47145	0.6
87.00880	0.8
89.02444	0.7
93.03469	0.9
96.95987	0.8
101.02435	1.4
117.03459	21.0
118.03833	0.6
119.05020	19.7
121.02940	1.0
135.04536	0.9
136.36958	0.7
144.39935	0.6
145.02948	85.1
146.03316	3.5
146.75647	0.6
161.02498	0.8
163.04012	15.8
164.04369	0.6
179.03574	0.6
179.05682	0.7
191.05588	3.8
192.05927	0.9
204.62695	0.6
251.20105	2.4
389.36737	0.6
392.98438	0.6
397.13385	1.7
485.32898	1.4
486.32941	0.7
487.34244	2.3
587.36731	0.8
631.35486	1.0
649.37421	100.0
650.37769	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	648.4114
Annotation	Unknow
Peak:m/z	Relative Intensity
51.55279	0.1
56.90283	0.1
61.86650	0.2
61.98825	100.0
62.98520	0.2
70.87005	0.3
87.13694	0.1
87.67584	0.2
103.42144	0.1
197.60950	0.1
197.62836	0.2
251.49686	0.1
307.19199	0.3
495.38464	0.1
637.69666	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	648.4115
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98828	100.0
64.02354	0.2
68.23380	0.3
70.46324	0.6
89.26500	0.2
95.11347	0.3
126.64809	0.3
147.57552	0.2
169.25436	0.3
470.52142	0.3
471.76367	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	649.2513
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01138	2.5
59.01378	28.0
61.98825	16.2
69.76138	2.3
71.01367	14.2
71.62486	3.3
73.02962	3.2
77.21877	2.0
79.95717	3.4
80.05046	8.2
82.95438	2.9
85.02918	10.9
87.00858	6.9
88.98814	3.0
89.02431	5.8
93.03458	12.9
94.06627	3.3
96.95993	28.9
97.06560	2.9
98.95586	3.9
101.02445	8.2
106.06633	28.4
107.91940	2.0
108.08176	6.2
109.02930	6.7
110.06057	2.9
111.04536	2.8
113.02445	6.2
120.08173	10.0
122.06110	22.4
123.04514	3.3
124.07709	13.6
125.02405	6.4
125.09697	5.5
127.38188	2.1
128.03581	2.4
133.02919	3.8
134.06094	10.0
135.04480	9.3
137.02403	10.1
138.05582	8.6
146.06067	2.4
148.04041	5.3
150.03241	3.0
150.05566	7.8
151.03998	8.5
152.07153	45.9
153.01862	2.9
161.02386	9.3
163.03989	4.4
167.03477	5.6
168.06747	2.9
171.10214	3.5
173.04538	19.9
178.05101	5.3
179.03494	5.7
186.12837	5.0
187.09654	3.6
188.14395	2.7
191.05594	46.9
192.05905	4.0
196.06143	34.3
201.11241	4.1
226.11038	2.5
227.11884	11.8
228.10352	4.5
230.11710	8.4
232.13380	3.5
237.10313	2.6
239.11845	7.5
241.09689	4.0
243.11324	4.1
244.13350	2.8
253.09752	8.0
253.13397	2.5
255.11369	27.2
256.11887	3.2
257.12894	26.6
267.11279	5.0
269.12939	10.0
271.14569	5.8
274.10660	5.7
275.09015	3.0
276.12341	3.8
281.12845	3.9
283.10941	12.7
283.13690	2.6
285.12408	16.4
289.07007	2.9
295.10751	5.7
297.12402	4.2
299.10306	6.6
299.13977	7.8
301.11801	5.7
303.13547	5.7
319.12747	2.3
325.11832	2.7
341.06702	2.7
343.13028	11.4
371.14758	3.2
374.18716	3.6
376.19904	3.9
376.74542	2.3
393.17773	2.4
408.19565	2.7
420.19318	3.9
436.18726	2.4
438.20248	2.7
448.19003	12.2
450.20139	11.6
492.17868	16.9
494.19354	27.1
525.25110	24.1
544.24481	11.2
545.24622	3.4
569.23987	59.6
570.24121	10.0
587.25073	100.0
588.24823	23.0
613.23187	7.7
631.23895	48.9
631.38574	5.3
632.24292	8.1
649.25140	30.6
649.39386	94.2
650.25360	8.6
650.39893	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	647.3948
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09840	0.3
60.81311	0.3
61.98827	0.5
65.14717	0.4
70.66071	0.4
70.66421	0.9
89.03977	1.4
96.82612	0.3
96.95995	0.4
105.03448	0.6
117.03455	5.7
119.04993	0.6
132.02197	1.0
133.02946	2.0
134.03738	80.8
135.04051	2.8
137.02449	2.1
139.04053	0.5
139.96162	0.4
147.04530	2.9
149.06087	7.7
151.04044	0.5
160.01649	4.1
160.86046	0.3
161.02432	2.3
165.02090	0.3
175.04019	2.7
178.02722	4.9
180.89977	0.3
193.05051	67.3
194.05380	3.1
217.01430	0.4
255.23259	0.4
341.06418	0.9
391.30331	0.4
405.30908	0.4
407.33109	0.5
453.33710	22.3
454.34079	3.1
531.30884	0.5
632.26825	0.4
647.39459	100.0
648.39795	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	647.3947
Annotation	Uncarinic acid A
Peak:m/z	Relative Intensity
53.82000	0.4
71.37901	0.9
89.03951	0.9
105.03452	0.6
106.04249	0.5
108.37467	0.6
117.03458	4.9
119.05052	0.6
132.02182	1.2
133.02956	2.0
134.03731	83.1
135.04070	2.2
137.02432	1.9
147.04497	2.1
149.06053	7.5
160.01628	4.4
161.02364	2.2
162.03226	0.7
175.04004	2.7
178.02672	5.8
193.05035	75.8
194.02226	0.5
194.05328	3.1
214.81352	0.4
320.87070	0.4
367.98718	0.5
391.30215	0.6
407.33078	0.7
453.33694	22.4
454.34064	2.9
531.31329	0.8
647.39459	100.0
648.39832	21.0
648.48267	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	647.3071
Annotation	Unknow
Peak:m/z	Relative Intensity
55.95614	0.2
59.01370	1.1
59.40115	0.2
61.63587	0.2
61.98819	0.6
67.01865	0.3
71.01375	0.6
71.61892	0.3
71.62315	0.3
82.30614	0.2
83.05025	0.3
83.08990	0.2
85.02951	4.7
87.00892	0.7
93.03448	2.7
96.96010	0.3
102.61324	0.2
109.02958	0.5
111.04525	0.8
123.62943	0.3
127.04018	1.5
132.02126	0.3
133.02962	3.3
134.03737	0.3
135.04520	11.0
136.04848	0.4
141.70724	0.2
147.41994	0.2
155.03467	0.3
160.84094	0.3
161.02434	17.8
162.02699	0.5
171.02940	0.5
173.04547	1.3
174.14594	0.3
179.03497	5.5
180.03725	0.4
191.05597	100.0
192.05956	3.3
247.46709	0.2
293.21179	0.5
307.08258	0.3
311.22263	5.7
312.22595	0.4
319.22833	0.6
353.08749	19.5
354.09061	1.4
455.23932	0.3
467.26709	0.3
485.27570	3.4
486.27780	0.7
499.30246	0.8
512.43073	0.2
554.92413	0.2
605.95642	0.3
632.06567	0.2
647.30548	10.6
648.30353	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	647.2109
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	6.5
59.01376	23.6
61.98816	7.8
68.99582	3.8
69.03450	5.8
71.01386	23.0
71.05028	4.4
71.62414	4.4
73.02948	7.1
82.29983	2.7
83.01373	7.5
85.02957	13.5
89.02444	11.7
93.03455	19.1
95.01369	3.7
96.96011	29.3
97.02950	3.9
98.95584	6.0
101.02439	14.1
109.02949	9.7
111.04542	4.4
112.98534	5.4
113.02444	5.2
119.05014	3.9
120.35550	3.5
121.02968	11.7
122.06126	4.8
123.04521	8.7
125.02451	32.2
127.11256	3.9
128.03555	4.7
135.04523	21.7
137.02467	24.3
137.09665	3.8
139.11307	13.6
147.04512	28.2
149.02425	4.4
150.03200	3.8
151.03990	25.6
155.03464	3.3
161.02437	18.4
161.04602	5.9
161.06033	4.2
163.04008	7.8
167.03423	4.5
170.97237	3.2
171.10223	7.7
173.04527	18.8
175.04033	4.7
177.45399	3.0
179.03522	12.3
180.03879	4.3
183.08624	5.8
183.10245	100.0
184.10519	5.2
187.07550	7.0
189.05574	8.4
191.05576	60.4
199.09717	4.5
201.11264	37.1
201.12900	7.7
202.06299	3.3
204.11461	12.4
207.10182	6.1
209.11850	30.6
212.89050	3.2
219.13800	15.0
220.70525	4.2
227.12802	6.5
229.82855	3.4
231.06966	4.0
231.10074	3.4
235.08250	4.3
248.69127	3.4
253.09332	6.3
255.06717	4.9
263.12857	35.8
267.11429	5.2
289.07214	10.2
293.08780	8.7
316.13657	3.4
401.14447	8.6
449.14655	11.4
459.18698	21.2
495.16403	5.1
573.23828	6.2
647.20056	19.6
648.23065	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	647.1614
Annotation	Unknow
Peak:m/z	Relative Intensity
58.71325	0.1
59.01369	0.7
61.98832	0.4
65.47507	0.1
67.01891	0.2
69.88452	0.3
69.88848	0.3
71.01382	0.5
72.99308	0.2
73.02969	0.2
77.03969	0.1
79.95730	0.1
81.03454	0.5
85.02956	0.4
87.00892	0.3
89.03963	2.1
89.18721	0.1
93.03453	1.0
95.05043	0.3
96.96006	6.4
98.95589	0.4
100.04151	0.1
101.02480	0.2
104.02672	0.3
105.03457	3.6
107.01414	0.3
109.02964	0.6
113.02434	0.3
115.04039	0.1
117.03500	0.2
119.05029	0.2
121.02945	0.4
125.02438	0.4
128.03494	0.2
132.02211	0.1
133.02948	8.9
134.03773	2.0
135.04535	1.3
136.07727	0.2
137.02419	0.6
147.04573	0.2
148.01712	0.4
149.02414	0.9
151.04044	0.1
155.03545	0.2
160.01653	0.6
161.02428	0.8
163.03963	0.2
165.01860	0.3
173.04541	1.2
175.03996	0.3
176.01170	0.9
177.01917	100.0
178.02264	3.7
179.03505	0.8
191.05583	4.3
192.05875	0.3
193.05061	0.6
195.06642	0.3
225.92677	0.2
258.01474	0.2
269.08139	0.3
272.03073	0.1
289.07095	0.2
301.03522	0.5
306.07614	0.4
331.04532	0.4
343.12875	0.1
353.08844	0.2
438.14951	0.2
449.14563	0.2
453.10349	3.6
454.10626	0.4
455.12244	0.2
467.15488	0.3
469.13428	0.2
471.11469	1.5
472.11685	0.2
473.14008	0.2
543.28131	0.5
561.29193	0.2
587.20972	0.2
590.40833	0.1
629.18085	0.6
647.16034	11.4
648.16449	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	645.2911
Annotation	Unknow
Peak:m/z	Relative Intensity
56.55083	0.2
57.03431	0.3
59.01386	0.9
61.98830	0.5
67.01886	0.2
71.01378	0.8
71.62377	0.2
73.02948	0.4
81.03427	0.2
83.05027	0.2
85.02943	5.6
85.03449	0.3
87.00867	1.6
88.24872	0.2
93.03454	2.9
107.04995	0.3
109.02948	0.5
111.04497	1.0
125.02399	0.3
125.09711	0.3
127.04003	1.3
132.23618	0.2
133.02951	3.7
134.03778	1.2
135.04518	13.3
136.04854	0.6
137.02438	0.4
155.03470	0.4
161.02432	17.3
162.02744	0.6
171.02948	0.4
171.10196	0.3
173.04509	2.9
178.02730	0.6
179.03476	5.9
191.05594	100.0
192.05931	3.3
199.09718	0.6
201.11311	0.7
209.11845	0.7
259.63022	0.2
267.79559	0.2
274.51114	0.2
274.54224	0.2
291.19742	0.6
293.21378	0.3
307.08234	0.5
309.20694	6.9
310.20914	0.7
335.07712	0.3
353.08728	16.1
354.09134	1.4
409.23840	0.4
427.24698	1.4
453.22681	0.8
465.24731	0.4
471.23837	0.5
483.25995	3.7
484.26340	0.5
617.54889	0.2
645.29126	8.5
646.29370	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	645.2563
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01099	0.5
59.01376	5.8
61.98823	1.8
67.01883	0.6
71.01372	1.4
71.61942	0.4
73.02919	0.5
77.75437	0.2
79.05524	0.3
79.95733	0.3
83.01393	0.4
85.02941	0.8
87.00857	0.6
89.02412	0.4
93.03455	0.5
95.04986	0.6
96.96002	10.5
98.38049	0.3
99.00861	0.4
101.02418	1.1
108.04532	0.3
109.02946	0.5
109.21993	0.3
113.02438	0.7
119.03497	0.3
120.04560	1.8
121.05354	2.1
122.06124	6.0
125.02408	0.5
134.03725	0.4
134.06099	1.8
135.04512	0.8
135.06834	0.8
136.07669	10.0
137.02440	0.5
144.04518	1.6
146.06021	0.5
151.03972	0.3
155.03471	0.3
161.02422	1.0
161.04526	0.8
161.07173	0.9
162.05579	0.7
171.11743	2.2
173.04500	0.9
179.03519	0.6
186.09200	0.6
188.03526	0.6
191.05598	3.2
192.05890	0.3
198.09261	1.7
199.10033	1.7
201.11360	0.3
203.05832	2.4
204.06519	0.4
209.11861	0.3
213.06650	0.3
214.07458	0.5
214.12354	10.5
215.12602	0.6
223.06096	0.3
225.06754	0.3
226.07379	0.8
227.08228	1.9
228.08919	0.8
229.09778	5.3
230.11859	3.8
241.09798	7.9
242.10576	15.3
243.10945	0.9
256.12183	0.8
257.12918	76.8
258.01660	0.5
258.13266	5.0
258.37753	0.3
271.02292	0.4
283.10794	0.5
289.07080	0.4
301.11896	100.0
302.12219	6.4
313.11865	0.6
325.11841	1.0
331.04584	0.4
335.22287	2.2
343.12946	4.9
344.13281	0.4
372.29211	0.3
399.18173	0.4
445.56537	0.3
569.24530	0.3
573.23358	0.5
585.34619	1.0
627.16669	0.4
645.26416	1.0
646.25909	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	645.1222
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	4.0
61.98827	30.5
69.62035	7.7
71.01364	2.9
72.21259	1.2
72.98063	1.4
74.02454	1.6
83.01386	1.6
85.02961	5.6
87.00877	1.7
89.02464	1.6
91.08089	1.4
93.03454	6.2
96.96011	28.0
98.19874	2.4
98.95584	2.3
107.01388	2.2
108.02187	1.5
109.02917	6.6
111.04496	2.2
119.88657	1.2
121.02988	1.7
123.04517	2.6
125.02460	3.2
133.02919	3.7
135.04510	5.8
137.02425	5.0
137.84866	1.3
139.03911	1.6
147.04468	3.3
149.02415	2.0
151.00360	8.6
151.03958	2.0
153.01927	2.3
159.04364	1.5
161.02438	5.8
162.10506	1.4
163.00375	2.9
165.01961	1.9
165.05592	1.8
173.04526	6.8
174.03371	1.8
175.03972	1.9
178.99863	5.6
179.03493	4.3
179.07104	1.8
190.02647	1.2
191.05600	53.3
192.05910	11.6
193.06058	7.1
203.03270	1.5
219.02837	1.7
227.03537	2.7
243.03058	7.5
245.09230	1.3
254.02119	2.4
255.02962	22.5
256.03409	1.9
258.41257	1.3
271.02451	35.2
272.02985	5.2
283.02539	2.9
289.07156	6.3
300.02734	80.2
301.03436	30.9
302.03943	1.6
341.06635	2.9
353.08765	2.7
354.08975	2.6
355.09506	2.0
371.10294	1.4
453.11639	1.7
456.61014	1.4
471.12970	2.1
483.13882	2.4
535.14935	1.9
609.14618	100.0
610.14893	13.9
645.18085	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	643.3332
Annotation	Unknow
Peak:m/z	Relative Intensity
52.02956	0.3
58.00566	0.3
59.01370	3.6
59.41119	0.3
61.98834	1.5
67.01888	0.3
69.03448	0.8
71.01382	3.5
73.02953	0.6
78.95900	0.8
79.95727	0.4
80.02669	1.0
81.03026	0.3
81.03462	1.3
83.01361	0.6
83.05016	4.2
84.02161	0.6
85.02937	5.1
87.00881	1.6
89.02436	1.9
93.03443	3.2
95.01340	0.3
95.05025	0.5
96.53165	0.3
96.96008	5.9
96.96941	0.4
97.02910	0.5
98.19793	0.4
99.04539	0.6
101.02426	2.9
108.02261	0.3
109.02943	0.7
109.06571	0.5
111.04522	0.9
112.31680	0.3
113.02439	1.5
119.03496	0.5
123.04470	0.4
125.02477	0.5
125.06037	0.5
125.09747	0.4
127.04010	1.2
132.48508	0.3
135.04535	0.5
135.08133	0.5
135.37694	0.3
137.02444	0.6
143.03494	0.4
145.02934	0.3
145.05057	0.8
151.11244	0.4
152.99524	0.7
153.09254	0.3
153.12852	1.1
159.04517	0.3
161.02451	0.6
161.04576	1.1
163.11275	3.1
165.12810	1.7
169.12334	5.8
171.03006	0.3
171.10252	1.6
173.04500	1.7
175.03978	0.3
177.01935	0.6
179.05714	0.4
179.10735	0.7
181.12302	0.7
187.07639	0.3
189.01926	2.4
191.05594	42.7
191.10698	1.0
192.06036	1.5
195.13820	0.3
197.11810	100.0
198.12140	4.7
199.13441	0.8
201.11261	2.1
207.10248	0.7
209.11807	92.7
210.12146	4.6
211.03885	0.7
211.13387	0.3
213.05505	0.5
217.01398	4.0
223.13409	1.8
225.05533	0.5
225.11281	0.6
227.06993	0.4
227.12862	15.4
228.13132	0.8
235.08186	3.5
235.13260	0.9
239.03513	0.8
253.05058	0.6
253.09251	9.6
254.09756	0.4
266.10147	0.3
275.07367	0.3
283.13177	0.6
308.10287	0.4
340.05496	0.6
341.06519	0.6
382.14182	1.1
385.14081	0.3
389.23300	0.8
407.22632	1.0
415.19537	0.6
425.23267	2.0
425.42029	0.3
426.23587	0.4
433.20685	5.1
434.21109	0.4
437.12363	0.9
441.48721	0.3
445.20776	1.5
451.21198	12.9
452.21600	1.4
459.22354	0.6
469.22333	0.3
485.49429	0.3
497.13309	0.3
607.31165	1.1
625.31866	1.0
642.79120	0.6
643.26959	3.6
644.28107	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.2763
Annotation	Unknow
Peak:m/z	Relative Intensity
51.24364	0.6
56.74490	0.6
56.75979	0.6
57.03444	1.6
59.01394	3.1
60.99317	3.0
61.98823	7.8
62.56848	0.6
67.01889	10.7
67.56561	0.8
69.03448	3.3
70.67244	0.6
71.01376	5.1
73.02924	0.7
79.95728	3.2
80.96494	4.7
81.03465	2.1
83.05032	2.5
85.02950	9.7
87.00874	14.2
93.03450	79.8
94.03801	2.0
94.98136	0.7
96.96010	9.5
99.00896	1.0
99.04559	0.9
105.03462	0.8
108.02194	1.4
109.02966	1.7
111.04513	10.8
111.50401	0.7
113.02461	1.2
121.02879	0.8
124.01683	1.4
125.02462	2.4
127.04020	3.0
129.01938	2.0
132.02119	0.8
133.02963	2.5
134.03755	5.8
135.04515	35.5
136.04846	1.0
137.02452	3.6
143.03523	0.7
147.04469	0.6
148.99146	0.8
150.03207	1.3
151.03983	2.4
155.03503	2.6
160.01665	2.2
161.02434	6.5
164.98598	0.8
165.01797	1.0
167.03479	0.9
169.12326	3.7
171.03015	0.8
171.10306	0.9
173.04527	28.7
177.01949	1.0
178.02718	1.3
179.03465	13.1
187.03928	0.9
189.01967	3.0
191.05594	100.0
192.05978	3.4
194.89539	0.7
197.11830	3.2
207.10361	0.9
209.11763	4.1
211.13382	3.0
215.61760	0.7
217.01393	4.2
225.00732	1.8
307.08026	1.0
308.08893	4.1
327.04880	2.1
352.08087	3.9
353.08810	3.3
407.22354	4.6
420.27426	0.7
425.23224	2.3
451.21130	8.9
452.21207	1.3
469.21799	1.7
471.15488	6.0
527.17645	0.9
543.17041	0.9
643.27222	82.6
644.27594	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	643.2755
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	1.5
59.01362	3.5
60.99286	2.5
61.98574	0.7
61.98828	7.4
67.01888	9.2
69.03442	3.5
69.93865	1.4
69.94260	2.1
71.01368	6.4
73.02905	0.7
79.95721	1.7
80.02649	0.8
80.96526	4.3
81.03436	3.1
83.05014	3.2
83.37053	0.9
84.29762	0.8
85.02945	9.4
87.00874	12.7
93.03453	68.9
94.03783	1.8
96.95991	3.2
98.00119	0.8
99.00883	1.4
99.04521	0.9
108.02132	1.0
109.02919	2.8
109.06532	0.9
111.04515	7.6
113.02394	1.4
124.01645	1.4
125.02424	1.6
127.03966	2.6
129.01933	1.7
132.02182	1.0
133.02919	5.1
134.03760	8.0
135.04523	52.4
136.04843	1.6
137.02409	2.4
150.03160	1.2
151.03938	3.2
155.03517	2.3
160.01642	1.1
161.02454	10.6
161.06038	1.0
171.10233	1.4
173.04544	22.0
178.02682	1.9
179.03473	14.1
189.02097	0.9
191.05595	99.6
192.05894	3.0
197.11784	3.1
207.10146	1.8
209.11864	4.1
211.13376	2.4
212.13704	1.1
217.01471	1.0
223.67572	0.8
225.00732	1.5
225.11324	1.4
227.12749	1.0
307.08075	1.0
307.19061	2.0
308.09000	2.9
351.07208	1.3
352.07785	1.2
353.08777	6.5
382.36053	0.9
407.22052	4.3
410.93823	0.9
425.23126	1.1
451.21173	7.8
452.21481	1.0
469.22488	3.9
470.94901	0.9
471.15344	2.9
481.24524	1.5
643.27460	100.0
644.27771	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	643.2754
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	1.9
59.01376	1.6
60.99304	5.8
61.98807	1.5
67.01886	15.4
69.03435	4.4
71.01386	4.9
81.03446	3.7
83.05035	1.5
85.02950	1.8
87.00323	0.7
87.00871	17.3
93.03449	100.0
93.42993	0.7
94.03793	2.8
99.00905	1.6
99.04511	1.1
109.02907	1.3
111.04517	11.1
113.02393	1.0
129.01907	2.5
133.02992	0.8
134.03732	8.0
135.04507	15.7
136.04868	0.9
137.02454	1.6
155.03470	3.9
173.04530	53.5
174.04945	1.0
178.02740	1.5
179.03482	2.4
191.05603	11.0
197.11806	2.2
199.09869	0.9
207.10196	0.8
209.11800	1.4
225.11302	1.0
257.61072	0.7
291.19592	3.2
360.02628	0.8
407.21924	0.8
451.21231	1.0
463.02164	0.7
469.22211	2.9
492.14285	0.7
576.23315	0.8
643.27502	79.2
644.27734	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	643.2521
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	4.0
61.98829	8.7
69.03455	0.8
69.44277	0.7
71.01386	4.3
72.90588	0.6
74.68693	0.6
78.95891	0.9
79.95737	2.0
80.96526	3.5
83.05018	1.6
85.02951	3.2
87.00860	1.3
89.02435	1.3
93.02927	0.9
93.03397	3.3
94.98086	0.9
96.96013	9.6
97.06545	0.9
101.02440	2.4
108.02182	0.6
109.02979	1.2
109.06594	0.7
111.04507	0.8
113.02471	1.0
115.97405	0.6
121.02953	100.0
122.03269	4.2
123.04533	1.8
124.01522	0.8
125.02445	1.3
128.49220	0.7
133.02974	3.7
134.03778	1.6
135.04546	3.4
137.02405	3.3
140.27399	0.7
141.26724	0.7
149.02464	0.9
155.03529	0.9
161.02444	11.4
161.04504	0.8
163.11305	1.4
164.98607	0.8
169.12372	1.7
171.10275	2.1
173.04572	4.1
175.04012	0.8
177.01968	3.5
177.18587	0.7
178.02695	0.7
179.03484	2.3
181.12421	0.9
189.01880	5.2
191.05592	12.5
192.05978	0.9
197.11815	31.8
198.12119	0.9
199.08012	0.7
199.09755	0.9
199.13347	1.4
200.53918	0.7
201.11322	0.9
207.10243	1.5
209.11821	26.2
210.12109	1.0
216.00633	2.6
217.01341	3.7
225.00850	1.2
225.11360	1.7
227.12854	8.1
229.01491	1.1
235.08276	2.0
253.09300	3.5
342.85376	0.9
355.08420	0.7
410.60092	0.7
419.11395	6.7
433.20941	1.7
445.20807	0.7
485.23917	0.8
528.48578	0.8
563.21198	0.8
607.27356	5.7
608.28284	0.9
643.25543	12.0
643.30078	9.1
644.24823	2.2
655.94934	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.1661
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23242	1.0
57.03436	2.0
59.01355	3.5
60.99292	1.3
61.98826	10.3
62.67906	0.9
66.27708	1.0
67.01873	2.8
69.31019	4.3
69.31443	4.6
71.01370	4.1
72.99290	1.0
76.21021	0.9
76.82268	0.9
77.21923	1.3
81.03486	1.7
83.01356	2.4
84.79001	1.0
85.02944	8.1
87.00853	7.8
93.03453	24.7
95.05032	1.5
96.96003	8.8
97.02939	3.9
101.02410	1.5
109.02957	22.6
111.04501	3.4
121.02940	5.1
123.04519	11.7
125.02436	17.7
127.04036	1.6
128.03464	1.1
129.01892	1.4
133.02957	3.2
134.03714	1.9
135.04527	23.3
136.04749	1.1
137.02425	27.0
138.02792	2.3
139.04012	2.8
145.02942	1.9
145.17087	0.9
149.02397	3.9
150.03203	2.1
151.04005	10.6
155.03502	2.7
159.04491	3.5
160.05083	1.0
161.02452	10.0
161.06027	3.6
163.03969	1.6
164.01154	2.4
165.01918	8.1
167.03452	3.4
173.04575	9.7
173.05975	2.2
175.03938	3.5
175.07657	1.8
176.01106	1.3
177.01927	8.9
179.03493	13.5
180.03851	1.5
187.03967	2.7
187.43689	1.1
188.04758	3.0
189.01915	4.0
190.02684	1.6
191.03729	2.4
191.05586	60.6
192.05905	2.6
193.32002	1.0
203.03363	1.4
203.07133	10.6
204.00465	1.9
205.01381	3.6
205.05008	6.2
209.14999	1.1
215.07133	1.2
217.01437	2.4
217.08629	2.1
219.02974	4.0
221.04332	1.2
221.08246	1.6
227.07008	2.3
231.02960	1.9
236.06818	1.6
245.08160	18.4
246.08571	2.4
247.06067	1.7
251.05849	1.1
255.02904	1.4
259.08878	1.0
271.05933	2.5
283.02545	1.9
289.07159	78.1
290.07492	4.3
299.05618	1.3
301.06757	1.5
319.08386	1.1
329.06696	8.9
341.06583	6.7
353.08734	3.5
353.13647	1.0
451.10284	19.9
452.10593	2.6
469.10864	9.4
491.11987	1.8
643.16602	100.0
644.17023	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	641.2815
Annotation	Unknow
Peak:m/z	Relative Intensity
53.87281	0.2
57.03410	0.2
59.01376	1.5
61.98828	11.5
71.01379	1.7
71.61939	0.4
72.99303	0.4
73.02936	0.5
80.49549	0.2
83.01377	0.4
85.02950	2.6
87.00878	0.8
88.98777	0.3
89.02438	0.7
93.03452	35.9
94.03801	0.9
95.72929	0.2
96.96008	1.6
97.02953	0.4
101.02425	0.8
108.02139	0.3
109.02949	2.2
113.02460	0.3
121.02962	0.7
123.04527	0.7
125.02443	0.5
127.03990	0.5
133.02940	0.6
135.04521	0.6
135.66281	0.2
137.02435	100.0
138.02776	3.1
149.02367	0.4
150.03191	0.4
151.04001	0.5
153.01906	0.2
161.02405	2.1
163.00349	0.6
163.03976	0.3
164.01138	0.3
165.01906	1.5
173.04558	0.9
173.05911	0.3
174.03242	0.4
175.03983	0.8
176.01166	0.4
177.01907	2.1
179.03479	0.5
185.06154	0.3
187.04076	0.3
189.01915	2.0
190.02689	1.4
191.03703	0.7
191.05595	16.2
192.05959	0.5
199.04022	0.5
203.03336	0.3
211.03967	0.3
213.05376	0.2
217.01379	1.6
217.05008	0.6
225.05626	0.3
227.03503	0.4
231.02954	0.4
241.05103	0.3
243.02928	0.4
253.05254	0.3
255.02913	0.3
256.03796	0.3
269.04697	0.5
271.05966	0.3
277.38034	0.2
281.04395	0.3
283.02359	0.4
284.03229	2.0
285.03970	0.9
297.04010	4.0
298.04425	0.4
299.05664	0.6
313.07330	0.2
323.07733	0.3
325.03412	0.5
327.05170	0.3
353.08899	0.3
423.10931	1.1
449.08725	16.8
450.09238	2.2
513.82220	0.2
517.64948	0.2
581.30786	0.8
581.62628	0.3
641.15546	4.2
641.28210	18.3
642.15356	0.4
642.28613	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	641.2807
Annotation	Unknow
Peak:m/z	Relative Intensity
52.57169	0.5
57.03445	1.5
59.01373	4.9
60.01402	0.5
61.98824	0.9
64.38539	0.5
65.00331	1.5
67.62463	0.5
69.27197	4.0
71.01374	5.2
72.73561	0.4
72.99319	0.6
73.02946	1.8
76.66122	0.4
79.95746	2.7
81.03506	0.7
82.75250	0.5
82.95427	0.6
83.01379	1.3
83.48262	0.5
85.02940	8.2
87.00859	1.0
88.98820	0.7
89.02450	2.0
91.01880	3.8
93.03460	3.2
95.01409	0.5
96.96008	7.8
97.02953	1.4
99.00859	0.7
101.02435	3.4
108.02207	1.4
109.02946	63.1
110.03281	1.3
113.02441	1.5
117.03441	0.5
119.03477	0.6
119.05023	0.6
121.02948	18.8
123.00922	0.6
123.04531	1.0
125.02435	3.4
128.90169	0.5
129.01926	0.8
133.02953	1.3
134.03732	12.3
135.04527	7.9
136.04829	0.6
137.02414	4.7
147.02992	0.9
149.02461	0.8
149.06052	1.4
150.03183	0.5
151.03992	1.1
153.01927	100.0
154.02260	2.5
159.04477	0.5
160.01651	1.9
161.02463	2.8
163.03854	0.5
167.03485	0.6
173.04599	2.3
175.02687	0.5
175.04021	2.2
176.04372	0.5
177.01974	0.7
179.03496	1.8
187.07716	0.5
191.01958	3.7
191.03654	0.6
191.05589	10.3
192.05951	0.8
193.05031	14.9
194.05330	0.6
199.04080	0.5
205.05005	0.8
231.06873	3.0
231.57059	0.7
232.06885	0.6
239.06686	28.5
239.56830	5.5
240.06720	2.0
241.35445	0.5
257.04758	0.4
273.07608	0.7
289.07236	2.6
297.52353	0.7
303.08624	2.4
317.06689	0.8
318.07336	0.5
337.09161	1.0
341.06427	0.6
353.08649	1.0
365.17941	3.9
366.18219	0.6
381.17371	1.7
383.18851	0.8
399.18396	8.6
400.18655	1.2
401.17767	0.7
449.08481	0.9
449.27310	1.1
469.13458	6.7
470.13803	0.9
529.61664	0.5
605.18677	1.3
641.28070	67.8
641.37280	5.0
642.28320	10.9
642.38641	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.1926
Annotation	Unknow
Peak:m/z	Relative Intensity
69.36945	0.6
69.37299	4.0
71.01415	0.5
77.51372	0.5
81.03460	0.8
83.01369	1.0
85.02954	4.1
87.00863	0.5
93.03455	2.4
98.19908	1.0
108.02166	54.3
109.02958	12.6
111.04473	0.6
111.52105	0.4
119.30061	0.5
121.02972	1.1
122.03674	0.4
123.04504	1.9
123.29100	0.4
127.03982	1.0
128.58588	0.5
133.02933	0.7
135.04544	1.0
137.02383	0.6
141.03677	0.4
145.02930	0.7
147.04463	0.9
149.02412	0.5
151.03992	1.8
152.01135	46.2
153.01932	14.4
155.05028	1.2
161.02383	1.2
162.03238	0.6
163.00305	0.6
163.03923	0.6
163.53513	0.5
165.01897	2.1
171.04424	0.7
171.78951	0.4
173.02402	2.2
173.04500	1.1
174.03239	2.6
175.03973	3.3
177.01917	1.9
187.03929	0.7
189.01923	2.2
189.05484	0.8
190.02670	1.3
191.05591	29.7
192.05939	1.4
197.68852	0.5
199.03984	7.4
201.01869	0.7
205.04990	0.9
209.06094	1.0
211.03923	0.8
213.05476	0.9
214.02719	0.5
217.01443	1.2
217.05011	0.9
225.05557	1.2
227.03549	0.6
229.05064	0.9
231.03064	0.6
241.04945	0.7
243.02982	2.2
247.06238	0.6
251.03632	0.5
253.05057	2.9
255.06606	1.3
256.03934	0.5
257.04532	0.6
269.04449	0.8
271.05841	0.6
281.04578	0.8
284.03339	2.3
285.04092	0.9
295.05939	0.7
297.00909	0.8
297.04010	7.1
299.07693	100.0
300.08054	6.3
325.03494	0.5
342.13843	0.5
363.08755	1.1
405.09769	6.0
406.10306	0.6
407.07608	0.6
423.10916	2.3
449.08728	28.3
450.09076	2.5
489.10336	0.7
565.16736	0.5
641.15240	7.4
642.15021	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	641.1504
Annotation	Unknow
Peak:m/z	Relative Intensity
58.29861	0.5
59.01363	1.7
60.03026	0.5
66.93282	0.5
69.03450	1.1
70.75257	0.8
70.75596	0.9
71.01385	1.4
71.01752	0.6
73.02932	0.6
73.74655	0.5
81.03429	0.7
83.01379	1.6
83.05003	0.7
85.02940	8.5
87.00865	1.9
93.03444	5.2
94.02987	1.2
95.01341	0.8
95.04996	0.7
96.96005	4.2
97.02934	1.6
104.56166	0.5
108.02177	1.5
109.02950	11.4
111.04540	1.3
119.05019	0.7
121.02958	2.8
122.03775	1.1
123.00862	0.8
123.04517	4.4
124.01678	0.9
125.02431	4.3
127.03963	1.9
133.02913	1.6
134.03712	1.0
135.04544	2.8
135.54463	0.5
137.02437	3.5
139.03970	1.1
145.02953	0.9
146.03722	0.8
147.04495	2.7
149.02434	3.7
149.06088	1.0
150.03247	0.9
151.03964	2.3
154.02753	0.5
159.04463	1.8
161.02420	6.6
161.06058	1.5
162.03253	2.6
163.00386	1.1
163.03972	1.8
164.01144	1.5
165.01924	5.5
171.10326	0.6
172.05281	0.7
173.02338	0.7
173.04523	1.8
173.06020	1.4
174.03163	1.4
175.03976	6.7
176.01105	1.5
177.01923	6.9
177.05565	0.9
179.03510	1.0
183.04510	0.7
185.06046	2.0
187.03935	1.6
188.04887	0.9
189.01935	7.1
189.05573	1.9
190.02698	6.7
191.03700	3.4
191.05592	68.3
192.06000	3.0
197.06082	0.8
199.03981	1.8
201.05566	0.8
202.99911	0.8
203.07060	0.8
205.01389	0.7
205.05058	3.1
211.04044	0.7
211.07495	1.1
213.05547	1.7
215.03419	0.7
215.07213	0.7
216.00537	1.7
217.01463	6.7
217.04999	6.6
225.05469	1.0
227.03473	1.1
227.06998	1.1
229.05029	0.7
229.08583	1.3
231.02971	2.5
240.04520	0.7
241.04947	1.3
243.02898	1.4
247.06078	2.1
253.05049	1.6
255.03020	1.1
255.06485	1.5
256.03668	1.5
259.06119	1.0
267.03302	0.8
269.04538	2.7
271.06158	2.8
281.04495	1.8
283.02560	1.1
284.03250	8.0
285.04102	3.5
287.05457	1.3
289.07254	1.3
296.03146	0.9
297.04019	13.8
298.04449	1.3
299.05624	3.5
309.04224	0.9
313.07037	1.0
315.05307	0.8
325.03506	1.7
326.04224	0.7
327.05109	1.0
339.05145	0.8
340.05728	0.9
385.78552	0.6
405.09702	1.2
423.10822	19.5
424.11121	1.7
448.07782	0.6
449.08716	100.0
450.09091	11.3
467.09955	3.1
489.10168	0.7
581.22430	1.6
606.02026	0.7
641.15137	8.7
641.25696	1.0
642.15228	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.1508
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03422	1.1
59.01377	1.9
61.98826	8.3
63.93718	0.3
67.01859	0.3
71.01382	2.4
71.62437	0.4
73.02929	0.5
79.95730	0.4
80.96517	2.9
85.02945	1.3
87.00876	0.6
88.98798	0.4
89.02427	0.4
93.03442	1.6
94.98060	0.5
95.01387	0.7
96.96003	3.1
99.00867	0.4
101.02427	1.0
107.01383	0.5
108.02169	1.1
109.02932	2.6
111.04509	0.7
111.82441	0.4
113.02496	0.4
121.02945	1.4
122.03699	0.6
123.00838	0.8
123.04526	0.9
125.02430	8.0
126.02758	0.7
131.04637	0.6
133.02916	1.5
134.03677	0.3
135.00851	0.4
135.04517	2.3
136.01826	0.4
136.15338	0.4
137.02428	1.9
149.02380	0.4
150.03192	0.5
151.00343	2.9
151.03970	2.3
153.01756	0.3
159.04440	0.6
161.02415	5.5
162.02879	0.4
163.00328	0.8
163.03915	0.4
164.01147	0.5
164.98662	0.8
165.01964	0.6
171.10286	0.6
173.04524	1.5
173.05899	0.5
174.03210	1.2
175.03897	0.8
175.22685	0.4
177.01932	0.9
177.09258	0.4
179.03427	1.5
186.03256	0.4
187.04010	0.7
189.01895	0.6
191.03781	0.6
191.05577	8.1
192.05875	0.8
195.10185	1.2
199.04041	1.0
201.01982	0.4
201.05606	0.4
202.02484	0.6
203.03484	0.5
205.01445	0.6
207.10291	0.7
209.11797	3.3
211.04158	0.3
213.01819	0.6
214.02684	0.7
215.03453	1.6
217.01486	0.4
217.04997	0.5
225.00702	0.8
227.03450	1.2
229.01321	0.5
229.04974	0.7
230.02133	1.3
241.05080	0.5
242.02122	0.4
243.02917	1.6
245.04509	0.7
253.09291	0.4
254.05811	0.4
255.02933	0.8
256.03775	0.8
258.01654	40.5
259.02377	12.8
260.02753	0.9
269.04440	0.4
271.02441	21.0
272.03189	12.5
273.03998	12.1
274.04425	0.7
283.02393	1.6
284.03470	0.5
285.00720	0.8
285.03979	6.8
289.07178	1.4
297.04395	0.4
299.01926	0.5
301.03497	100.0
302.03876	6.1
304.02271	2.2
311.01883	0.9
313.03473	7.6
314.03738	0.4
329.02975	1.0
331.04550	54.3
332.04877	3.6
341.06647	1.4
343.04623	1.1
361.05701	1.2
385.05582	2.3
403.06665	1.9
449.14493	0.5
481.28030	0.7
597.29156	1.4
623.15131	0.4
623.30145	0.5
641.15106	24.9
641.27557	3.8
641.35980	2.0
642.15375	3.9
642.29346	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.1507
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01847	0.5
57.03434	0.5
59.01369	4.8
61.98824	13.9
61.99147	0.8
70.94092	0.8
71.01377	6.1
73.02935	1.6
73.21362	0.4
78.95891	0.5
80.96494	0.8
81.24037	0.4
83.01389	1.4
85.02943	2.6
87.00883	0.9
89.02451	1.4
93.03446	2.1
95.01377	1.0
96.96022	4.1
99.00912	0.7
101.02444	4.5
108.02159	1.0
109.02940	4.7
111.04564	0.5
113.02438	2.0
121.02973	0.8
123.04580	0.6
125.02438	2.9
127.97701	0.5
133.02936	0.8
134.03770	0.5
135.00920	0.6
135.04547	2.2
137.02423	2.1
143.03476	0.6
147.04514	0.5
149.02383	0.6
151.00336	0.6
153.01900	0.5
161.02412	1.9
161.04562	1.2
163.00317	1.1
165.01932	0.8
171.04532	0.5
171.10269	0.6
173.04527	1.7
177.05573	0.6
179.03384	1.0
185.05995	0.7
187.03992	1.2
189.01892	0.7
190.99858	0.9
191.05594	7.9
192.05923	0.7
197.11713	0.6
199.04010	1.1
201.05547	0.9
203.03545	0.8
209.11687	0.7
211.04024	0.5
215.03485	4.1
217.01332	0.5
217.04875	0.6
225.11273	1.5
227.03506	2.3
228.04300	0.6
229.05058	1.5
230.02100	0.8
231.06923	0.7
243.03009	4.5
244.03613	1.1
245.04597	0.8
255.02995	1.4
257.04538	0.7
258.01663	23.9
259.02435	31.0
260.02774	1.8
270.01736	0.7
271.02451	31.9
272.03207	26.4
273.03934	9.0
274.04443	0.8
280.03928	0.5
283.02490	1.4
285.04007	8.0
286.04391	0.5
289.07083	0.8
297.03940	0.8
298.01144	3.0
299.01874	1.7
301.03506	100.0
302.03836	6.6
304.02267	0.7
311.01944	0.7
313.03497	4.8
315.05078	1.4
325.03510	0.8
331.04553	55.4
332.04865	4.2
339.04773	0.6
343.04440	1.3
367.04684	1.6
385.05750	2.8
403.06705	1.4
479.30066	3.7
568.32013	0.6
623.13953	6.5
624.14178	1.2
641.15063	27.7
641.35406	9.1
642.15094	4.8
642.36096	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.1506
Annotation	Unknow
Peak:m/z	Relative Intensity
51.24974	0.3
51.80847	0.3
59.01370	1.2
60.99298	0.4
61.98826	5.8
71.01385	1.7
78.96796	0.3
79.95735	0.6
83.01378	0.3
85.02950	1.4
85.27744	0.3
87.00871	0.6
88.98804	3.4
89.02444	0.9
93.03451	2.1
95.01383	0.5
96.95995	2.7
98.19834	0.5
98.24010	0.3
101.02438	0.5
104.02692	0.4
108.02163	0.6
109.02947	1.2
111.00858	0.3
121.02953	1.7
123.04533	0.5
125.02419	2.1
133.02956	0.7
134.03697	0.4
135.04518	2.0
137.02438	3.1
138.01981	1.1
147.04482	0.3
149.02419	0.4
150.03206	0.5
151.00307	0.5
151.03989	0.9
153.01923	0.5
155.05049	0.6
157.02898	0.5
159.04408	0.4
161.02451	1.7
161.05972	0.5
162.02827	0.4
163.03975	0.6
164.01196	0.4
171.04469	0.7
173.04552	1.4
173.05960	0.4
173.44096	0.3
175.00325	0.5
175.04015	0.3
179.03511	1.3
183.04468	2.5
185.02428	0.6
187.03973	0.7
190.51164	0.3
191.05595	6.3
199.03970	1.0
209.02618	0.3
209.11833	0.3
211.03989	3.5
213.01996	0.4
226.02731	0.5
227.03473	7.5
237.01886	0.6
237.07706	0.5
238.02768	0.8
239.03471	1.3
243.02972	0.4
245.08086	0.4
254.02228	1.1
255.02959	10.1
256.03326	0.5
258.01712	1.4
259.02396	2.8
266.02164	1.1
267.03021	1.7
268.03629	0.5
269.04556	0.4
271.02399	3.0
272.03220	3.4
273.07697	0.3
281.04498	1.1
282.01764	0.6
283.02454	100.0
284.02795	5.5
285.00861	0.4
285.03845	1.7
289.07156	1.3
290.07626	0.3
295.02435	0.6
296.03247	2.1
297.03925	2.0
298.01221	0.7
299.01797	0.5
301.03448	1.0
311.02005	0.5
313.03415	0.9
325.03525	5.4
326.03793	0.5
337.03171	0.4
355.04410	0.6
358.93631	0.3
403.06647	15.4
404.06912	1.4
447.07327	0.8
449.08109	0.4
463.10587	0.5
477.11905	5.7
478.12329	1.0
493.11584	0.8
521.10852	6.6
522.11218	0.7
551.12128	0.6
579.15033	0.7
597.16150	7.9
598.16821	0.9
623.14148	0.9
641.15100	25.8
641.24982	1.0
642.15503	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	641.1507
Annotation	Unknow
Peak:m/z	Relative Intensity
52.15109	0.8
53.98260	0.8
54.46336	0.8
54.79955	0.7
57.03434	1.5
59.01359	3.0
67.01910	1.0
71.01369	1.9
71.38218	1.5
73.02949	0.9
81.03471	0.8
83.01366	2.5
85.02952	13.6
87.00862	2.6
93.03458	10.3
95.01382	0.9
96.95987	4.1
97.02966	1.0
99.04549	0.9
105.03467	1.1
109.02950	9.8
111.04503	1.9
120.71592	0.9
121.02948	3.2
123.00835	1.2
123.03746	0.8
123.04489	5.4
125.02453	11.9
125.63348	0.7
127.03991	3.8
129.01848	0.8
133.02950	5.7
135.04573	4.0
137.02464	5.1
147.04475	1.8
149.02441	3.1
150.03236	0.9
151.03969	3.0
153.01868	0.7
155.03516	1.2
155.05016	1.1
159.04507	2.1
161.02437	9.3
161.06090	1.0
162.03227	1.7
163.00372	2.3
163.03998	1.3
164.01131	1.6
165.01892	4.8
171.02948	0.9
173.02400	1.6
173.04518	7.1
173.05946	1.2
174.03166	2.9
175.04004	8.8
175.07343	0.8
176.01112	0.9
177.01932	8.3
177.05530	0.8
178.02522	0.7
179.03481	1.9
183.04243	0.9
185.06032	1.6
187.03967	3.5
189.01924	7.6
189.05493	1.6
190.02733	4.5
191.03766	3.1
191.05595	96.6
192.05963	3.3
196.13995	0.7
197.05972	1.1
199.03979	4.4
201.01936	1.9
201.05634	1.4
203.03566	0.9
203.07162	1.1
205.05051	2.1
209.06104	1.7
211.03880	2.6
212.04623	1.1
213.05568	3.0
215.03464	2.8
215.05411	1.5
217.01372	4.2
217.04961	3.9
225.05537	3.1
227.03537	2.4
227.07100	1.1
229.04991	2.2
231.02927	1.2
231.06406	0.9
239.03394	1.2
240.04118	1.2
241.05002	3.3
243.02907	12.0
245.04552	1.2
245.08232	1.0
247.06146	1.1
251.03412	0.8
253.05116	4.1
254.05711	1.6
255.03003	2.1
255.06491	1.3
256.03683	1.6
257.04376	1.0
267.02792	1.0
269.04532	3.4
271.05978	2.7
273.03979	2.0
279.02866	1.2
281.04489	3.3
283.02353	0.9
284.03326	5.8
285.04010	2.0
287.05530	2.8
289.06961	4.2
290.84540	0.8
297.04050	22.3
298.04443	1.5
299.05518	2.2
315.05032	1.0
325.03381	1.2
327.04974	1.1
351.07083	3.5
353.08789	1.9
363.08591	3.1
381.09772	1.5
405.09555	4.4
423.10846	8.2
424.10898	0.9
449.08746	100.0
450.09106	10.0
467.09451	1.4
489.10568	3.7
519.88501	0.8
641.14990	25.8
642.15802	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	641.1505
Annotation	Unknow
Peak:m/z	Relative Intensity
55.28053	1.1
57.03445	1.7
59.01358	3.7
67.01875	3.8
69.03445	2.1
69.76235	5.3
71.01378	2.8
81.03428	1.3
83.01379	4.3
83.05011	1.8
85.02946	15.8
87.00851	4.2
93.03449	16.4
94.03714	1.3
95.05025	1.2
97.02934	2.6
98.19919	2.1
99.04505	1.5
105.98587	1.2
109.02931	15.4
111.00803	1.1
111.04480	3.4
119.04979	1.4
121.02927	4.9
123.04527	7.6
125.02417	6.1
127.03985	3.2
133.02939	2.9
134.03592	1.3
135.04463	2.8
137.02449	6.9
139.03964	1.4
145.02846	2.6
147.04503	4.9
149.02409	5.0
149.06073	1.4
151.03960	3.0
158.03726	1.3
159.04459	1.8
161.02443	6.7
161.06029	2.7
162.03194	2.6
163.03989	2.2
164.01100	1.1
165.01900	5.0
171.04504	2.6
173.02455	5.4
173.04501	13.5
173.06042	5.7
174.03177	4.9
174.04686	1.6
175.03987	32.3
176.04373	1.9
177.01938	6.5
179.03468	1.9
185.06075	2.4
186.06273	1.2
187.04016	2.2
189.01915	7.5
189.05562	5.6
190.02554	5.4
190.35956	1.1
191.03758	3.1
191.05591	96.2
192.05878	5.6
197.06160	1.1
198.03387	1.3
199.03960	10.5
201.01845	4.5
201.05464	1.7
203.03571	1.1
205.04982	3.2
209.06100	2.1
211.03970	2.6
211.07706	1.3
212.04652	2.0
213.05507	3.2
215.03432	2.2
217.01402	4.9
217.04979	4.9
219.02991	5.7
225.05476	3.1
227.03418	1.8
229.05034	2.5
231.02972	3.0
240.04292	1.7
241.04968	3.0
242.02173	2.1
243.02957	8.3
243.06575	1.6
247.06064	2.9
253.04991	4.7
254.05437	1.3
255.02869	3.1
255.06564	4.0
256.03625	1.7
259.06180	1.6
267.02924	1.2
269.04611	5.4
271.06076	2.4
281.04587	4.1
284.03094	6.5
285.03946	4.0
289.07141	2.5
297.03995	17.6
298.04443	1.7
299.05493	3.2
325.03210	1.4
361.10709	2.3
363.08636	1.7
379.11951	2.2
405.09882	10.0
407.07819	8.2
423.10788	21.4
424.11191	2.0
449.08713	100.0
450.09018	11.9
467.09821	8.2
489.10278	4.6
623.14160	6.2
624.14105	1.2
641.14984	53.4
642.15192	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	641.1505
Annotation	Unknow
Peak:m/z	Relative Intensity
55.14077	0.7
59.01359	1.5
69.03441	0.8
69.43242	1.2
69.43651	4.1
71.01373	1.2
81.03431	1.1
83.01393	3.4
85.02947	12.1
87.00874	3.0
93.03460	5.9
97.02953	1.0
99.04543	1.2
108.02166	58.0
109.02962	17.6
111.04488	2.0
121.02949	3.3
122.03705	1.0
123.04521	3.2
125.02449	0.9
127.04028	2.3
131.42914	0.8
133.02945	1.3
135.04579	1.0
137.02419	1.6
138.75505	0.7
145.02884	0.9
147.04512	1.3
149.02414	1.8
151.04027	3.3
152.01149	46.0
153.01936	14.1
155.04994	4.5
157.02908	0.9
159.04515	2.0
160.04825	0.8
161.02449	4.2
161.06010	0.8
162.03191	1.2
163.00333	1.2
163.04001	1.6
164.04875	0.8
165.01935	2.9
171.04495	1.3
173.02419	8.7
173.04538	1.8
174.03230	7.8
175.03995	7.3
177.01910	3.7
181.06615	0.8
181.11676	0.9
183.04443	0.8
185.06006	1.0
187.03975	1.1
188.04637	0.9
189.01901	3.9
189.05556	1.7
190.02698	2.6
191.05602	75.7
192.05963	2.7
197.06096	1.1
198.03146	2.0
199.04010	19.8
200.04442	1.1
201.01881	2.8
201.05428	0.9
205.05035	2.6
209.06035	3.0
211.03996	2.7
212.04755	1.0
213.05511	2.8
215.03435	1.7
217.01497	3.8
217.05003	3.3
219.02811	0.9
225.05553	2.8
227.03513	2.4
229.05132	2.3
230.05565	0.7
231.02992	2.5
235.04092	0.9
240.04227	1.3
241.05048	2.4
243.02959	6.4
247.06133	1.0
251.03461	1.2
253.05101	6.9
255.03209	0.7
255.04129	0.9
255.06569	4.6
256.03683	0.9
269.04568	1.8
271.06116	1.8
273.04053	1.3
279.03049	1.0
281.04492	2.0
284.03268	3.9
285.04025	1.9
295.06116	1.0
297.04007	20.2
298.04446	1.1
299.07709	100.0
300.08084	6.4
304.97028	0.9
363.08694	3.2
387.08713	2.2
405.09778	20.3
406.10266	1.5
407.07761	2.1
423.10861	7.0
424.11050	1.0
449.08749	62.5
450.09058	7.8
467.09964	2.0
489.10510	2.2
641.15076	20.8
642.15155	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	641.1505
Annotation	Unknow
Peak:m/z	Relative Intensity
50.85566	0.6
55.01870	0.6
57.03441	0.8
59.01372	2.5
64.43956	0.6
64.91402	0.6
67.01895	1.0
71.01369	1.6
71.18055	1.2
81.03436	1.0
83.01387	8.7
85.02946	14.6
87.00858	3.3
93.03452	8.6
97.02958	0.9
109.02933	4.6
111.04514	1.5
117.03440	0.6
121.02938	3.5
123.04521	3.2
125.02460	1.3
127.04013	3.2
127.05574	0.7
131.05019	0.9
133.02943	1.1
135.04485	1.2
137.02388	1.4
143.04974	0.6
145.02957	1.7
147.04507	1.7
149.02423	2.1
149.55905	0.6
151.03958	1.7
155.03725	0.9
155.05032	13.0
157.02925	1.6
159.04524	1.2
161.02493	0.7
161.06078	0.9
163.00233	0.7
165.01945	0.7
171.03014	1.6
171.04475	2.8
173.00928	1.2
173.02422	23.3
173.04607	3.1
173.05905	0.9
174.03194	19.7
175.03979	10.7
176.04379	0.6
181.06595	0.6
183.04497	0.9
185.06073	0.9
187.04027	2.9
188.04791	0.8
189.05579	3.0
191.05592	100.0
192.05952	2.6
195.04460	0.8
197.05992	0.8
198.03188	2.9
199.03989	55.9
200.04289	2.8
201.01953	5.1
201.05515	1.1
202.02345	0.6
205.05035	5.2
209.06030	1.8
211.04016	3.3
212.04691	1.0
213.05563	5.5
215.03542	0.8
217.05011	1.1
225.05525	2.0
225.39474	0.7
227.03479	0.6
229.04971	3.5
230.05653	1.4
231.06610	1.7
237.05447	0.8
241.05077	2.2
243.02945	3.2
247.06334	0.7
249.05579	0.6
253.05060	7.5
254.05556	1.3
255.02899	1.0
255.03720	1.0
255.06592	10.2
256.06982	0.7
271.06076	0.9
273.04016	1.4
277.05072	0.8
281.04419	0.7
282.05334	0.7
295.06100	1.3
297.04150	3.3
351.07248	1.6
360.67578	0.6
363.08786	5.9
387.08600	4.9
388.09189	1.1
393.08212	2.0
405.09741	51.2
406.10196	5.2
407.07526	2.7
423.10770	2.5
449.08725	29.5
449.14148	0.7
450.09036	2.0
467.09711	2.3
489.10178	4.5
641.15002	23.0
642.15356	4.2
652.99261	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.151
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	1.0
67.01878	0.5
69.03442	0.5
70.35896	1.5
71.01379	0.9
73.02918	0.5
79.52904	0.4
81.03484	0.6
83.01398	0.6
83.05016	0.9
85.02956	10.1
87.00877	1.8
93.03458	4.2
97.02953	0.8
108.02185	0.5
109.02952	8.7
111.04527	1.1
121.02930	2.2
122.03745	0.9
123.04526	2.4
125.02424	1.7
127.04009	1.9
133.02884	0.6
134.03719	0.9
135.04552	1.2
137.02429	1.6
139.04028	0.6
145.02888	0.7
147.04521	1.6
148.92563	0.4
149.02440	2.0
151.03981	1.7
154.38153	0.4
159.04517	0.9
161.02419	5.9
161.06082	1.0
162.03217	1.6
163.00378	2.1
163.04013	0.9
164.01102	0.8
165.01920	5.9
171.02960	0.6
171.04501	0.4
172.05368	0.6
173.02402	0.8
173.04524	1.7
173.06049	1.4
174.03181	1.1
175.03995	2.6
176.01094	1.9
177.01920	8.4
178.02542	0.7
179.03499	0.5
185.06023	1.0
187.03995	0.8
189.01923	9.5
189.05577	0.6
190.02716	7.8
191.03683	3.7
191.05595	75.0
192.05988	2.4
197.06068	1.1
198.03227	0.5
199.04059	0.6
201.01866	0.5
201.05540	0.7
203.03447	0.8
204.00641	0.4
205.01422	0.5
205.05006	1.0
211.04015	1.2
211.07581	0.7
212.04840	0.4
213.05481	1.5
214.02904	0.4
215.03462	1.1
216.00635	1.0
217.01424	8.3
217.04951	3.9
218.01915	0.9
225.05551	1.1
227.03459	1.4
227.07170	0.9
229.05095	0.8
229.08627	0.5
231.02939	1.8
239.03482	0.9
240.04532	0.4
241.04993	1.6
242.02223	0.6
243.02905	1.4
243.06625	0.9
247.06001	0.7
253.05054	1.7
255.02788	1.0
255.06746	1.1
256.03729	1.8
257.04486	0.5
259.06009	0.7
267.02896	0.6
268.03650	0.5
269.04501	3.9
270.05179	0.5
271.06076	1.2
280.03635	0.4
281.04504	2.7
283.02518	1.1
283.06000	0.7
284.03241	10.2
285.03931	3.7
295.06097	0.9
296.03610	0.5
296.06677	0.7
297.04016	23.7
298.04443	2.6
299.05594	3.6
309.04022	0.9
322.04761	0.7
325.03442	1.8
327.05118	2.1
328.05270	0.6
341.06573	1.5
381.09891	0.6
405.09753	0.8
423.10861	5.1
424.11343	0.6
431.07565	0.5
449.08743	100.0
450.09134	13.2
467.09579	1.0
527.57880	0.4
641.15057	19.4
642.15350	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.1507
Annotation	Unknow
Peak:m/z	Relative Intensity
54.23170	0.4
57.03428	0.5
59.01376	1.0
65.08793	0.4
65.44025	0.5
69.29249	4.0
69.29639	1.0
71.01387	0.8
81.03458	0.4
83.01387	0.8
85.02953	7.8
87.00856	1.9
93.03459	3.9
97.02966	0.6
108.02158	1.1
109.02955	8.9
111.04524	1.3
121.02953	2.1
122.03736	1.1
123.04521	2.7
125.02444	1.6
126.00340	0.5
127.03981	2.3
133.02968	0.9
134.03729	1.1
135.04539	1.0
137.02438	1.8
138.80037	0.4
139.04001	0.7
140.14923	0.5
145.02892	0.8
147.04466	0.7
148.01715	0.7
149.02414	2.2
151.03995	2.0
159.04539	0.7
161.02429	5.0
162.03181	1.2
163.00336	1.4
163.04024	1.3
165.01918	5.9
171.03075	0.6
171.04527	0.8
173.02441	1.1
173.04575	1.1
173.06026	1.2
174.03227	0.9
175.04004	3.7
176.01147	1.8
177.01886	8.0
185.06146	1.1
187.04024	1.3
189.01910	9.6
189.05518	1.0
190.02684	6.4
191.03668	3.2
191.05594	66.0
192.05949	2.1
197.06067	1.4
199.04030	1.3
201.05467	0.5
202.99879	0.5
203.03546	0.6
205.01401	0.7
205.05037	1.1
209.06023	0.8
211.03880	0.9
212.04726	0.6
213.05527	1.5
214.02779	0.9
215.03467	0.7
216.00610	1.6
217.01414	7.1
217.04887	3.4
218.02177	0.9
219.06697	0.5
225.05553	1.4
227.03430	1.7
227.07068	1.0
229.05075	0.9
231.02927	2.4
235.03815	0.5
237.05743	0.4
239.03465	0.6
240.04242	1.1
240.07466	0.5
241.05043	1.8
243.02951	1.8
243.06566	0.8
247.06035	1.1
253.05154	2.7
255.02869	1.6
255.06693	1.1
256.03796	1.7
257.04575	0.7
259.06253	0.6
267.02933	1.0
269.04468	3.8
270.05075	0.7
271.06107	1.6
281.04489	2.6
282.05093	0.8
283.02444	1.7
283.05673	0.5
284.03220	8.6
285.04077	3.6
287.05594	0.7
295.06116	0.6
296.06705	0.7
297.04010	20.3
298.04395	2.1
299.05502	3.8
309.04172	0.8
313.07190	0.6
325.03516	1.8
327.05157	2.1
339.04819	0.7
340.06012	0.6
341.06662	1.0
381.09827	0.8
405.09491	1.0
407.07574	0.7
423.10834	5.1
424.11206	0.8
449.08734	100.0
450.09076	12.4
467.09695	1.1
641.15082	13.2
642.15668	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.1507
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	0.3
59.01384	2.0
61.98828	6.2
71.01376	1.4
71.62354	0.4
73.02951	0.5
76.22956	0.2
79.95760	0.3
83.01377	0.5
85.02444	0.3
85.02950	4.4
87.00855	0.9
89.02424	0.5
93.03454	35.5
94.03802	0.7
94.85851	0.3
95.01405	0.3
96.96004	1.4
97.02931	0.4
99.00862	0.4
101.02444	0.8
108.02225	0.3
109.02943	3.3
111.04515	0.6
112.89253	0.3
113.02438	0.7
119.05056	0.3
121.02929	1.0
123.00840	0.3
123.04488	1.2
125.02443	1.3
127.03996	1.2
129.01968	0.3
133.02908	1.0
134.03711	0.7
135.04494	1.2
137.02437	100.0
138.02806	2.1
147.04489	0.7
149.02409	0.8
150.03210	0.3
151.04004	1.1
161.02412	3.0
161.04555	0.2
161.06068	0.5
162.03172	0.5
163.00282	0.5
163.03937	0.5
164.01199	0.4
165.01952	2.2
173.02403	0.4
173.04520	1.9
173.05995	0.6
174.03223	0.2
174.04840	0.3
175.03891	1.3
176.01138	0.6
177.01906	2.4
179.03494	0.5
189.01891	3.4
190.02698	2.4
191.03667	1.6
191.05591	27.7
192.05937	1.0
192.99583	0.3
199.04002	0.4
201.05486	0.4
203.03401	0.4
205.01289	0.4
205.05116	0.5
209.05995	0.3
213.05421	0.5
215.03496	0.3
215.07182	0.3
217.01389	2.8
217.05049	1.0
219.03162	0.3
224.19815	0.3
225.05542	0.7
227.03285	0.4
228.04320	0.4
229.05092	0.4
231.03003	0.5
240.04094	0.4
241.05051	0.8
243.02861	0.6
243.06744	0.4
253.05042	0.9
255.02901	0.7
255.06735	0.4
256.03726	0.6
259.06046	0.3
269.04590	1.3
271.06097	0.3
281.04498	1.0
284.03186	2.8
285.04037	1.3
289.07120	0.3
297.04031	6.5
298.04526	0.7
299.05429	1.4
325.03558	0.6
327.05200	0.8
341.06564	0.6
353.08728	0.4
405.09854	0.5
423.10733	1.4
449.08728	30.1
450.09152	3.0
580.31006	0.7
581.30383	0.4
641.15344	7.9
641.28156	20.0
642.15729	1.3
642.28717	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.1506
Annotation	Unknow
Peak:m/z	Relative Intensity
58.14693	0.7
59.01373	2.4
60.99298	0.8
67.01880	1.7
67.12436	0.7
69.03449	1.2
69.77003	3.6
70.14499	0.7
71.01373	2.2
81.03466	1.1
82.71629	0.6
83.01385	8.2
85.02944	16.1
87.00880	3.1
88.07020	0.8
93.03461	12.1
97.02959	1.3
99.04517	1.0
105.03447	1.1
108.02154	1.0
109.02941	7.4
111.04533	2.4
113.02504	0.8
117.00169	0.8
121.02921	3.7
123.04517	4.8
125.02406	2.4
127.04016	4.4
133.02945	6.0
135.04514	3.3
137.02455	2.2
143.05011	0.9
145.02942	2.4
147.04536	2.0
149.02406	1.6
150.03203	0.8
151.04031	1.6
155.03619	1.1
155.05011	10.2
157.02974	2.0
159.04527	1.5
161.02426	2.2
161.06076	1.1
163.04002	1.7
165.01910	1.1
171.04501	2.2
173.02428	20.1
173.04535	11.4
173.06055	2.0
174.03206	15.6
175.03970	14.2
177.01909	3.5
179.03435	1.6
183.04430	0.9
187.03909	1.8
189.05602	4.0
190.02763	1.0
190.05885	0.8
191.05598	100.0
192.05876	3.5
198.03218	3.5
198.38672	0.9
199.03987	48.4
200.04387	2.0
201.00180	1.2
201.01863	5.3
201.05563	2.2
205.05038	3.7
209.06152	2.1
211.03973	3.8
212.04652	1.4
213.05518	5.6
215.03543	1.5
215.05501	1.5
217.01472	1.3
217.05063	2.2
219.02975	1.3
225.05563	1.6
229.05019	3.8
231.02983	1.5
231.06616	1.3
237.05571	1.0
241.05006	2.9
243.02945	6.3
243.06712	0.9
247.06268	0.8
251.03459	0.8
253.05078	7.9
254.05550	1.7
255.03767	1.0
255.06544	8.2
271.06378	1.1
273.04041	1.1
279.02936	1.1
281.04599	1.7
289.07095	0.8
297.04083	7.8
298.04739	1.1
351.07230	6.6
363.08734	5.8
387.08524	3.6
393.08121	1.4
405.09753	45.7
406.10052	4.8
407.07693	3.9
423.10815	6.0
449.08722	40.6
450.09030	3.9
467.09735	2.5
489.10385	4.2
530.09277	0.7
561.52856	0.8
623.13879	1.6
641.15057	26.5
642.15533	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	639.323
Annotation	Unknow
Peak:m/z	Relative Intensity
51.48285	0.4
53.40900	0.5
55.01869	1.4
57.03429	1.4
59.01375	21.9
60.99290	1.0
61.98820	2.4
68.99797	0.5
69.28947	3.0
69.29369	1.4
71.01381	22.6
72.99293	1.2
73.02940	8.2
75.00862	0.6
83.01366	4.1
85.02430	0.9
85.02947	12.4
87.00871	2.3
88.98808	8.0
89.02435	5.5
93.03455	3.8
95.01372	1.7
96.95988	3.0
97.02956	0.9
99.00876	4.0
101.02442	18.3
109.02945	1.0
111.00909	0.8
113.02443	10.2
113.41123	0.5
116.92847	2.2
119.03475	1.8
120.01273	0.5
121.02954	2.1
123.04588	0.5
123.79315	0.5
125.02431	1.4
129.01926	1.2
133.02928	1.5
134.03601	0.5
135.04553	2.7
137.02429	9.0
143.03564	0.9
149.02383	0.5
151.04063	1.0
159.02977	1.7
161.02472	5.4
161.04510	5.4
162.02745	0.9
163.00363	0.8
166.02614	0.5
173.04517	1.7
175.03969	0.4
177.05652	0.5
179.03455	2.1
179.05582	0.7
179.49060	0.4
181.05089	1.0
191.05608	6.9
219.03104	0.5
220.16594	0.4
243.02930	0.5
279.08618	0.6
289.07269	0.8
295.85333	0.6
330.06766	0.6
385.10175	0.6
387.11310	0.5
417.15546	2.0
417.24832	6.8
418.25345	0.8
442.20297	0.5
447.07178	1.7
487.13193	1.0
497.74393	0.5
549.10901	0.5
553.03040	0.5
553.11884	0.6
579.30145	100.0
580.30475	13.1
639.12781	0.6
639.26337	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.3232
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	1.8
57.03434	1.2
58.00583	0.4
59.01378	23.2
60.99291	0.5
61.98810	1.9
70.90089	1.0
71.01382	24.4
72.99282	1.3
73.02940	8.8
75.00871	0.8
83.01385	4.3
85.02950	11.7
87.00864	1.6
88.58501	0.5
88.98810	3.5
89.02441	5.2
93.03461	4.9
95.01359	1.6
96.96017	3.0
97.02952	1.0
99.00890	2.7
101.02438	21.1
109.02937	1.2
111.00850	0.7
113.02449	10.5
116.92855	1.1
117.01959	0.5
119.03496	1.3
121.02949	2.3
123.04484	0.4
125.02444	1.0
129.01868	0.6
131.03516	0.5
133.02948	0.9
135.04469	2.2
137.02437	10.0
138.02802	0.5
143.03476	0.9
151.03922	0.5
159.02963	2.1
161.02480	2.6
161.04555	6.1
163.00310	0.4
173.04549	1.6
176.79016	0.4
177.01886	0.6
179.03513	1.1
185.93509	0.4
190.10599	0.5
191.05598	6.7
249.07895	0.4
285.04016	1.0
353.09119	0.6
417.15781	1.2
417.24881	6.6
447.07050	0.9
579.30157	100.0
580.30505	12.4
639.12683	0.6
639.25854	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	639.2652
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01852	0.2
57.03437	0.4
58.63234	0.2
59.01370	1.8
61.98822	0.4
65.00302	1.2
69.03460	0.2
69.23164	0.7
69.23573	1.3
69.33824	0.2
72.99309	0.4
73.02934	1.1
74.51401	0.2
81.03443	0.2
83.01382	0.2
85.02944	1.1
89.02444	0.9
91.01881	2.3
93.03447	0.9
95.01391	0.4
96.95984	0.8
98.20634	0.5
99.00889	0.4
101.02428	1.8
107.01395	0.3
108.02168	0.8
109.02942	66.3
110.03301	1.6
111.00864	0.3
113.02456	0.8
121.02966	0.3
123.00825	0.4
124.01583	0.2
125.02435	0.7
133.02966	0.3
135.04504	0.7
137.02409	1.8
151.03966	0.5
152.01126	0.3
153.01923	100.0
154.02254	3.1
155.36313	0.2
161.02448	0.7
161.04524	0.3
171.90631	0.2
172.81006	0.2
173.04567	0.2
179.03510	0.5
191.05608	1.4
195.65335	0.2
211.77928	0.2
239.06746	0.2
301.03424	0.4
329.73285	0.3
372.70261	0.2
533.80627	0.2
639.26495	71.0
640.26831	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	639.2654
Annotation	Unknow
Peak:m/z	Relative Intensity
50.38469	0.2
50.98102	0.2
54.78756	0.3
57.03450	1.7
59.01397	0.3
69.03447	0.7
71.01363	0.5
81.03442	2.4
83.01379	2.4
85.02940	0.7
89.07381	0.2
93.03468	2.1
95.01373	0.6
95.05016	3.1
96.95991	0.4
97.02946	5.5
98.20639	0.7
99.04514	0.5
107.04987	0.2
108.02165	1.1
109.02948	21.7
110.03205	0.3
111.04523	0.3
116.64188	0.2
121.02967	2.2
122.03722	1.1
123.04522	13.9
124.01677	0.3
124.04833	0.3
125.02435	13.0
126.02753	0.3
133.02960	0.6
135.04539	2.4
137.02432	8.2
138.03220	0.6
139.04002	2.7
143.04982	0.4
145.02945	0.9
146.03737	1.0
147.04500	0.6
149.02435	3.5
150.03186	1.0
151.03992	8.2
157.06613	0.4
158.03687	0.4
159.04489	2.5
160.05284	1.3
161.02432	0.9
161.06071	4.4
162.03215	1.8
163.03949	0.8
164.01122	3.1
165.01912	4.0
166.02530	0.5
166.71426	0.3
167.03517	1.6
173.04553	0.6
173.06023	1.0
174.03194	0.6
175.03992	1.9
175.07619	1.8
177.05508	0.8
179.03479	4.9
185.06064	1.1
187.03995	4.5
188.04776	3.3
189.05162	0.3
191.05602	5.3
199.04050	0.3
199.07590	0.7
201.05519	0.3
202.06342	2.2
203.07111	11.8
204.07414	0.6
205.05026	6.9
211.03920	0.3
212.04814	0.4
217.08702	0.8
221.08128	2.7
227.07095	2.2
229.04948	0.4
230.05807	0.8
231.03056	0.5
238.72762	0.3
243.02846	0.4
245.08157	15.2
246.08488	1.2
247.06143	1.4
251.03505	0.3
271.06177	0.7
284.02420	0.4
285.03845	0.3
289.07147	100.0
290.07529	5.8
295.02554	0.4
322.85208	0.3
347.34497	0.3
351.12885	0.5
367.10150	0.4
447.07080	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	638.1179
Annotation	Unknow
Peak:m/z	Relative Intensity
55.70498	0.4
69.02103	0.4
72.99301	3.7
75.08095	0.4
79.95721	4.3
80.96466	0.5
85.02953	0.5
96.96011	4.1
109.02924	0.5
116.05057	5.7
128.05070	2.3
130.06633	2.3
132.04523	0.6
135.04518	0.4
142.06612	21.1
143.06935	1.2
144.04530	0.8
158.06102	16.5
159.06441	0.8
173.04509	0.7
179.03561	0.6
186.05557	7.4
191.05592	3.7
204.06625	42.3
205.06892	2.2
210.00452	0.7
210.02289	7.1
222.02249	11.4
223.02585	0.6
238.01724	1.1
241.04965	0.5
284.02304	100.0
285.02548	5.2
286.01935	0.9
447.07150	1.2
465.78732	0.4
477.10559	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.2652
Annotation	Unknow
Peak:m/z	Relative Intensity
52.53963	0.2
55.94366	0.2
58.58982	0.2
59.01376	3.6
61.98829	1.7
71.01385	2.5
71.61934	0.4
72.99290	0.4
73.02937	1.0
75.00864	0.4
79.95734	0.6
80.93847	0.3
83.01394	0.5
85.02956	1.2
87.00841	0.3
88.98788	1.0
89.02441	1.1
93.03452	36.0
94.03782	1.1
95.01379	0.3
96.96008	14.1
97.02940	0.3
99.00864	0.5
101.02454	1.5
108.02161	0.8
109.02966	1.6
111.04595	0.2
113.02459	1.2
117.20656	0.2
119.03519	0.3
121.02947	0.6
123.04487	0.5
125.02452	1.5
133.02930	0.5
134.03717	0.4
135.04523	2.5
135.78273	0.2
136.01642	0.9
137.02437	100.0
137.40778	0.3
138.01778	0.3
138.02780	3.9
142.42490	0.3
148.63205	0.2
149.02380	0.4
151.03984	1.6
152.01123	0.8
153.01872	1.0
161.02483	2.0
161.04517	0.5
163.03999	0.3
167.03522	0.6
173.04489	0.7
175.03929	0.4
177.01883	0.5
179.03499	1.4
191.05585	4.1
191.07162	0.4
192.05829	0.3
193.05090	0.4
205.05025	0.3
231.06926	0.4
285.11191	0.3
286.07013	0.8
299.07690	0.7
301.09372	1.8
305.06631	0.4
353.08618	0.4
365.17947	0.7
374.57443	0.3
447.06982	0.3
485.21744	0.3
501.23416	1.1
579.30103	2.7
639.26636	19.2
640.27051	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	638.1179
Annotation	Unknow
Peak:m/z	Relative Intensity
61.96625	0.5
69.25624	5.3
72.99316	2.8
79.95717	4.2
96.96043	3.6
98.19817	1.1
99.16615	0.6
116.05042	5.1
128.05063	1.6
130.06641	1.6
142.06612	21.9
143.06816	0.7
144.04518	0.6
158.06104	17.0
159.06343	0.7
173.04482	0.7
186.05623	6.8
191.05603	4.8
204.06633	42.4
205.06956	1.6
210.02292	6.1
222.02293	12.7
238.01781	1.5
284.02316	100.0
285.02670	5.5
295.02264	0.7
447.07446	0.7
611.84558	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.3071
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	30.8
61.98824	7.3
71.01379	61.0
71.62097	1.7
72.99261	1.7
73.02950	4.0
80.96540	1.7
81.03439	2.7
83.05021	4.5
85.02959	2.8
89.02439	8.7
93.03480	1.4
96.95990	2.4
97.02967	7.1
97.06585	2.1
99.00890	3.0
101.02449	9.3
109.06582	35.4
110.03705	1.5
113.02450	4.9
121.02949	3.0
121.06579	1.9
125.02423	1.4
125.09737	2.2
135.08136	5.0
136.05295	2.1
142.02766	3.2
145.02882	1.7
161.04565	6.1
161.09702	1.7
163.11273	19.9
164.11534	1.6
171.10254	10.4
179.05521	2.1
179.10725	1.6
181.12320	6.2
185.11761	3.0
191.05602	3.4
199.09726	4.8
199.13358	2.0
201.11317	5.9
207.10242	100.0
208.10663	4.5
209.11800	5.3
225.11298	56.9
235.08257	1.9
243.12381	2.2
250.38400	1.4
253.09276	27.5
259.94308	1.5
299.14890	3.5
401.23199	1.8
445.26825	1.6
461.20285	23.7
462.20840	6.4
619.31714	1.8
637.32111	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	637.3716
Annotation	Unknow
Peak:m/z	Relative Intensity
51.18855	0.9
58.95407	0.8
66.41084	0.9
66.72851	1.3
66.73281	0.9
69.32626	1.0
78.95901	19.0
94.34853	1.0
96.96033	1.7
96.96970	2.1
106.59750	1.1
116.46486	1.0
127.11274	1.1
128.39247	1.0
152.99586	15.0
171.00613	3.2
171.10262	46.5
172.10564	1.2
209.02203	1.2
215.19730	1.1
238.01564	0.9
255.23271	100.0
256.23654	7.5
307.09467	4.4
381.13171	3.7
399.14200	2.6
415.28857	1.1
439.28812	1.0
493.69287	1.0
605.35217	1.0
637.37225	62.3
638.37561	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	637.3067
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	1.3
59.01373	29.8
61.98839	5.7
71.01379	63.4
71.08891	3.1
72.99308	1.3
73.02947	4.1
80.02692	1.2
81.03458	2.1
83.01392	1.3
83.05028	3.9
85.02953	5.1
87.00882	1.9
89.02432	7.4
89.89821	1.1
91.41940	1.1
92.16724	1.1
93.03431	2.6
96.96036	2.4
97.02954	5.2
97.06623	2.0
99.00887	4.2
101.02451	9.2
107.05025	1.4
109.06577	36.5
111.04565	1.2
113.02431	3.6
119.03444	1.8
121.02927	1.7
121.06554	1.9
124.18096	1.1
125.02374	1.3
125.09716	2.2
127.11282	1.7
128.84528	1.0
135.08151	4.2
136.05269	1.7
142.02689	1.6
161.04568	3.8
161.09668	1.7
163.11284	21.2
171.10251	11.9
172.10645	1.2
179.10667	1.7
181.12343	5.5
185.11795	2.1
189.09186	1.8
191.05594	4.0
199.09720	3.9
201.11276	7.7
207.10240	100.0
208.10600	4.8
209.04413	1.4
209.11821	4.8
225.11290	53.7
226.11664	2.5
235.08377	1.4
243.12331	3.3
253.09265	26.4
299.15009	1.4
383.21884	1.6
401.23175	2.2
411.62598	1.3
443.21130	1.3
461.20212	21.8
462.20959	5.5
637.31854	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	637.25
Annotation	Unknow
Peak:m/z	Relative Intensity
52.75426	0.4
57.03393	0.3
57.48035	0.3
59.01377	5.8
60.99298	1.7
61.98811	0.9
69.03443	0.5
70.90631	1.0
71.01376	3.1
72.99315	0.6
73.02948	1.2
75.55045	0.4
80.16586	0.3
83.01391	0.5
85.02944	0.9
87.00880	0.5
88.98801	11.6
89.02441	1.8
89.94426	0.3
93.03452	35.5
94.03792	0.5
96.95993	2.6
98.95625	0.3
99.00862	1.4
101.02432	1.0
108.02122	0.4
109.02943	1.3
113.02445	1.0
115.00334	0.4
119.03513	0.6
119.04995	0.7
121.02927	1.9
123.04527	0.5
125.02444	0.5
133.02942	1.0
135.04518	2.2
137.02435	100.0
138.02774	2.8
147.04500	0.8
149.02432	10.8
149.04340	0.4
151.03966	0.7
152.08427	0.3
153.01938	1.3
153.09204	0.6
153.73393	0.3
161.02396	3.7
161.04561	0.3
164.04771	10.5
165.05208	0.6
167.03484	0.4
173.04521	1.1
175.00351	0.9
177.01869	0.5
179.03493	1.1
179.07144	1.0
180.04230	0.5
190.02702	3.1
191.05615	3.1
205.05055	4.4
205.12349	0.9
208.03783	0.8
223.06090	19.7
224.06523	0.5
281.06750	0.7
341.08710	1.7
346.91553	0.3
366.42026	0.3
386.38895	0.4
413.14633	0.6
431.15833	0.7
473.27609	0.5
499.22092	0.5
529.68726	0.4
547.21814	0.5
593.31720	6.1
594.32379	0.6
601.25073	0.5
637.25146	22.5
638.25604	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	637.25
Annotation	Unknow
Peak:m/z	Relative Intensity
52.75426	0.4
57.03393	0.3
57.48035	0.3
59.01377	5.8
60.99298	1.7
61.98811	0.9
69.03443	0.5
70.90631	1.0
71.01376	3.1
72.99315	0.6
73.02948	1.2
75.55045	0.4
80.16586	0.3
83.01391	0.5
85.02944	0.9
87.00880	0.5
88.98801	11.6
89.02441	1.8
89.94426	0.3
93.03452	35.5
94.03792	0.5
96.95993	2.6
98.95625	0.3
99.00862	1.4
101.02432	1.0
108.02122	0.4
109.02943	1.3
113.02445	1.0
115.00334	0.4
119.03513	0.6
119.04995	0.7
121.02927	1.9
123.04527	0.5
125.02444	0.5
133.02942	1.0
135.04518	2.2
137.02435	100.0
138.02774	2.8
147.04500	0.8
149.02432	10.8
149.04340	0.4
151.03966	0.7
152.08427	0.3
153.01938	1.3
153.09204	0.6
153.73393	0.3
161.02396	3.7
161.04561	0.3
164.04771	10.5
165.05208	0.6
167.03484	0.4
173.04521	1.1
175.00351	0.9
177.01869	0.5
179.03493	1.1
179.07144	1.0
180.04230	0.5
190.02702	3.1
191.05615	3.1
205.05055	4.4
205.12349	0.9
208.03783	0.8
223.06090	19.7
224.06523	0.5
281.06750	0.7
341.08710	1.7
346.91553	0.3
366.42026	0.3
386.38895	0.4
413.14633	0.6
431.15833	0.7
473.27609	0.5
499.22092	0.5
529.68726	0.4
547.21814	0.5
593.31720	6.1
594.32379	0.6
601.25073	0.5
637.25146	22.5
638.25604	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	637.177
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	3.9
65.00313	0.4
71.01369	3.3
72.99286	0.7
73.02936	1.6
83.01427	0.5
85.02950	1.2
87.00859	0.8
89.02419	1.5
91.01890	2.8
93.03452	8.9
93.04003	0.7
95.01330	0.5
96.96004	2.2
97.02957	0.5
98.19897	0.7
99.00860	0.7
101.01877	0.4
101.02431	2.3
101.36112	0.3
105.03458	0.8
107.05011	1.2
108.02187	0.5
109.02948	0.9
113.02441	1.3
116.92839	0.4
117.03465	1.2
119.01343	0.7
121.02946	4.3
123.04541	0.6
125.02421	3.1
132.02197	1.9
133.02943	34.6
134.03780	2.6
135.04515	21.7
136.01715	0.4
136.04822	0.6
137.02431	27.6
137.06053	0.8
138.02730	0.5
138.98228	0.4
139.03944	0.4
147.04550	0.4
147.44160	0.4
149.06055	2.1
151.03998	16.7
152.04395	0.5
159.04523	0.7
160.01610	0.6
161.02428	100.0
162.02763	3.7
165.14999	0.4
175.03976	2.2
177.01874	0.8
177.05577	4.1
178.02675	2.3
179.03476	19.4
180.03842	1.0
181.05043	2.3
191.05576	1.7
193.05017	0.7
203.03458	2.9
209.04520	2.3
221.04532	7.5
233.04555	0.7
235.92638	0.4
251.05576	5.7
269.06744	2.4
280.05905	0.4
281.06635	9.1
282.06979	0.7
293.06644	0.9
311.07639	2.1
323.07605	5.6
324.08118	0.7
341.08722	8.0
346.04865	0.4
371.09851	3.2
382.09018	0.6
383.09781	37.2
384.10043	2.5
413.10760	1.0
425.10870	10.9
426.11243	1.3
431.12039	0.6
475.14417	2.5
485.12967	46.9
486.13174	4.4
548.25635	0.5
605.15204	2.4
637.01398	0.5
637.17206	9.7
638.18225	1.3
648.49951	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.1776
Annotation	Unknow
Peak:m/z	Relative Intensity
51.20760	0.6
51.69155	0.6
57.01471	0.7
59.01380	4.6
61.98809	4.1
67.01867	0.9
69.03470	1.0
69.42760	2.1
69.43167	3.1
71.01388	4.9
72.99312	1.6
73.02968	2.0
79.95741	2.4
81.03464	0.9
83.01424	1.0
84.96717	0.8
85.02937	4.2
87.00906	1.2
88.98833	1.6
89.02458	2.6
91.01902	1.4
93.03457	5.0
95.01384	1.6
96.96006	24.3
97.02956	1.4
98.95608	3.9
99.00890	1.2
99.04547	0.8
101.02451	2.7
103.00485	0.6
103.05547	0.7
104.74959	0.6
105.97920	0.7
107.04984	1.0
108.02168	56.8
109.02962	23.3
113.02441	2.2
119.05064	1.2
121.02965	2.3
123.00900	1.1
123.04513	1.7
125.02469	1.7
126.04151	0.7
133.02957	3.4
134.03726	2.5
135.04495	6.3
136.04912	1.2
137.02432	12.7
145.08760	0.7
147.04532	1.5
149.02441	3.7
149.06027	1.5
150.02850	1.1
151.00381	0.7
151.03987	1.6
152.01143	100.0
153.01936	29.8
155.03543	0.9
161.02415	6.4
161.04459	1.0
161.16583	0.6
163.03981	5.2
164.04790	2.6
165.05368	1.3
166.02637	0.9
167.03529	0.8
173.04556	2.6
177.01929	1.3
179.03418	4.6
190.02670	0.9
191.05602	11.3
192.05933	1.3
193.05051	2.2
202.06337	0.7
205.04953	1.3
207.06595	9.3
223.06119	5.4
224.06448	2.7
225.06650	1.8
231.06903	7.1
231.57024	2.3
239.06668	1.2
283.13361	1.7
299.07867	1.0
315.07007	0.9
365.17841	7.6
366.17953	1.9
399.18042	1.0
429.10312	21.6
430.10468	1.5
445.18774	1.1
463.19913	1.1
500.15256	0.8
501.14636	1.1
593.31256	0.9
637.17126	87.9
637.24634	7.2
638.17511	10.5
638.25824	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.1341
Annotation	Unknow
Peak:m/z	Relative Intensity
52.22397	0.4
69.76730	1.9
72.00909	2.2
74.02467	3.8
77.02551	0.4
79.95728	17.3
80.96513	0.7
98.20608	0.8
116.05057	11.7
130.06561	0.5
140.81630	0.4
141.96901	0.4
142.06610	38.4
143.06972	1.7
158.06056	1.4
159.09267	2.8
186.05591	1.5
191.05605	1.3
196.00606	0.7
203.08238	22.4
204.06625	1.6
204.08423	0.7
209.01445	1.1
210.02287	1.1
222.02264	26.3
223.02570	1.7
224.01880	0.4
238.01778	2.3
239.04965	0.7
241.00450	2.1
266.01340	0.5
283.03909	100.0
284.04584	4.3
285.03680	0.9
357.06183	0.5
400.03128	0.4
458.47250	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.2107
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03430	1.1
59.01380	10.2
61.98820	4.9
65.20629	1.0
69.26685	10.8
71.01377	8.2
72.99290	2.6
73.02964	1.5
79.95740	1.2
85.02969	3.4
87.00844	1.7
88.98804	4.6
89.02457	4.2
92.03268	1.0
93.03470	2.5
95.01402	1.4
96.96000	5.9
99.00887	2.6
101.02441	4.8
109.02930	1.8
111.04543	1.2
113.02463	2.0
118.66082	0.9
119.05006	1.2
121.02931	6.2
121.17643	1.0
125.02430	2.4
128.03490	1.2
131.03534	1.1
133.02950	10.3
134.03703	3.5
135.04517	63.0
136.04820	3.3
137.02483	2.3
143.10767	2.3
151.04001	4.1
161.01091	2.3
161.02435	39.8
162.02661	1.6
171.10229	5.2
172.10587	2.3
173.04532	1.8
177.05537	1.2
179.03487	52.8
180.03780	1.5
191.05597	10.7
207.06586	19.4
207.10326	1.2
209.11731	2.8
221.04538	3.8
231.06926	6.0
237.07635	5.6
251.05669	2.6
293.06674	1.1
311.07788	2.4
353.08789	8.2
413.10449	1.7
455.11899	100.0
456.12152	7.7
515.32117	3.7
543.82605	1.1
599.23285	5.6
616.38593	1.8
634.40344	28.6
635.30573	5.7
635.40790	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	633.3784
Annotation	Myriceric acid B
Peak:m/z	Relative Intensity
50.22945	0.5
59.01374	0.7
61.98820	1.4
69.47400	4.1
71.01382	2.8
93.03447	1.0
94.61385	0.4
96.96000	1.5
97.06595	0.6
107.05048	1.0
119.05005	1.1
125.09688	1.5
133.02084	0.8
133.02940	4.2
134.03716	4.7
135.04515	52.0
136.04842	2.2
137.02448	1.3
147.04515	1.4
148.05281	7.2
160.84177	0.5
161.02431	10.8
162.03015	0.5
163.04016	1.4
171.10251	7.2
179.03484	37.4
180.03793	1.2
191.03578	1.1
201.11223	0.6
207.10292	1.7
209.11778	1.2
225.11256	1.3
227.13011	0.6
272.46234	0.5
304.27673	0.5
313.54630	0.5
318.22720	0.5
392.03436	0.5
453.33743	5.0
454.34042	1.0
471.34937	0.8
609.90729	0.6
615.30322	0.6
633.37976	100.0
634.38385	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	633.3791
Annotation	Guavacoumaric acid
Peak:m/z	Relative Intensity
53.28370	0.7
54.48592	0.7
58.45501	0.7
61.98814	2.5
68.99557	0.9
71.62192	1.1
93.03499	1.0
97.02838	0.9
109.06582	1.0
117.03466	23.0
119.05029	10.9
125.02419	1.2
125.09682	2.1
137.02403	1.5
145.02945	100.0
146.03296	3.5
163.03987	8.5
171.10262	2.2
191.05640	1.1
191.54129	0.8
201.11269	1.3
209.11812	0.9
221.96461	0.8
233.11473	1.0
255.23331	1.6
305.17667	0.9
307.19073	1.4
309.20520	1.1
321.17026	2.4
437.30759	1.1
439.32260	1.9
452.27496	1.4
469.33185	0.8
500.10730	0.9
514.85522	1.1
633.37964	85.3
634.38245	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	633.1461
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01370	0.4
67.01895	0.3
71.01379	0.5
78.95910	0.2
81.03449	0.6
85.02952	0.3
89.02518	0.2
89.03972	1.9
93.03449	0.5
95.05026	0.3
96.95998	1.5
97.02924	0.2
98.20626	0.8
99.92582	0.3
105.03453	3.5
105.04102	0.4
105.05003	0.2
106.03763	0.3
109.02969	0.3
116.92836	1.8
119.05026	0.4
123.04512	0.4
125.02420	0.6
133.02946	10.2
134.03790	1.0
135.04520	9.6
135.05342	0.1
135.05612	0.2
137.02480	0.5
139.04036	0.2
148.01607	0.3
149.02390	1.1
149.06084	0.4
161.02431	6.6
162.02824	0.4
163.04106	0.3
167.03566	0.2
173.04553	0.9
174.44191	0.2
175.03914	0.3
176.01155	0.8
177.01912	100.0
178.02267	3.5
178.34959	0.2
178.82062	0.2
179.03487	7.0
180.03807	0.3
183.14888	0.2
191.05586	2.9
193.05023	0.8
221.04521	0.5
230.27292	0.2
251.05608	0.3
276.03955	0.2
289.06531	0.2
353.08606	2.3
354.08881	0.3
395.09726	0.4
453.10330	0.5
455.11917	15.8
456.12259	1.5
471.11212	3.6
472.11981	0.3
515.11633	0.8
633.14471	13.5
634.15289	1.6
634.25006	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	633.3782
Annotation	Unknow
Peak:m/z	Relative Intensity
51.27371	0.7
57.89796	0.7
59.01365	2.2
61.98819	4.0
62.66217	0.9
62.82389	0.8
69.29520	7.8
70.30851	0.8
71.01380	4.3
75.48425	0.7
89.74364	0.8
92.60703	0.8
96.95998	1.3
107.05008	1.1
109.06566	1.6
117.03522	1.3
119.05019	6.6
125.09683	1.5
133.02942	2.8
134.03752	4.8
135.04514	45.6
136.04810	1.0
137.02367	1.0
145.02960	1.3
147.04498	1.5
148.05280	6.6
161.02423	10.9
163.03967	7.5
171.10254	11.0
179.03485	30.5
180.03848	1.1
181.12364	0.8
187.09796	1.2
201.11290	1.4
207.10219	3.2
225.11382	3.0
253.09215	1.2
380.54492	0.8
416.04971	0.8
446.85126	0.7
453.33865	5.4
454.33936	0.9
469.33167	3.2
615.30420	1.2
633.37976	100.0
634.38336	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	630.2765
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	5.1
61.98828	75.2
71.01377	4.3
71.62209	0.5
73.02948	8.1
74.02486	0.4
79.03048	0.3
82.95428	0.7
83.01393	2.0
84.95113	0.4
85.02927	0.4
89.02399	0.4
96.96004	0.7
98.35281	0.4
101.02454	5.9
113.02433	0.6
113.47100	0.4
121.02913	0.6
122.06075	0.3
125.02430	0.5
128.03531	0.4
128.47147	0.3
137.02443	0.4
143.03519	0.6
149.02423	1.6
161.04594	0.6
164.04808	1.2
165.05144	0.6
171.10286	0.6
189.73883	0.3
190.02702	0.5
191.05580	0.6
194.22264	0.3
197.11801	0.4
203.05676	1.3
218.63963	0.3
223.06133	1.6
224.06422	1.1
285.12491	0.5
286.12918	0.4
319.22751	100.0
320.23099	8.9
333.24319	2.9
361.23788	1.0
361.41205	0.4
391.24695	0.6
523.29041	1.7
586.32672	0.6
598.23816	0.5
599.54626	0.4
600.76270	0.4
626.69171	0.3
630.27411	0.5
631.28424	0.7
651.72327	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	631.1662
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01396	0.6
67.99891	0.4
71.01381	3.5
71.61305	0.6
71.99959	0.5
72.08571	0.5
84.98874	0.5
87.00829	0.5
89.02440	0.6
89.03986	1.6
93.03442	0.9
96.96018	3.8
97.02924	0.6
99.00887	3.3
101.02440	1.2
109.02959	2.0
117.03448	6.8
119.03557	0.6
121.02943	0.9
123.04507	1.4
125.02439	2.3
133.02934	0.5
134.03728	76.7
135.04114	2.3
137.02451	2.4
139.03995	1.0
147.02988	8.2
148.03252	0.6
149.06064	7.9
151.04018	0.8
151.32787	0.5
161.02435	0.7
165.01910	0.6
165.04007	1.7
178.02678	5.9
179.03500	0.9
188.04738	0.8
191.05608	3.5
193.05032	100.0
194.05357	4.5
203.07117	1.4
205.05000	0.7
245.08109	1.5
247.06404	1.9
248.16939	0.5
289.07150	7.5
290.07535	0.8
339.84360	0.6
341.08704	37.4
342.08981	1.7
409.19870	0.8
434.64523	0.5
448.94641	0.6
566.84631	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	629.2609
Annotation	Unknow
Peak:m/z	Relative Intensity
51.75472	0.6
56.24994	0.7
59.01377	12.3
60.33515	0.7
61.37606	0.6
61.98825	3.1
70.46541	0.8
70.46883	2.6
71.01373	1.2
78.67115	0.7
82.95427	2.0
87.00877	1.1
92.05034	0.8
93.03445	4.2
94.06657	1.7
95.05048	0.8
96.96016	3.6
102.05602	1.4
106.06644	1.0
107.03801	0.9
110.06116	6.1
120.04523	1.7
120.08205	2.6
121.05357	4.7
122.06116	27.7
124.25873	0.8
128.03534	2.9
130.06641	1.9
133.02971	1.4
134.03741	1.4
134.06093	8.2
135.04514	3.5
137.02460	2.0
144.04547	3.1
151.04057	0.9
159.05612	1.2
160.04083	1.0
160.06432	10.4
161.02406	3.0
161.04794	2.5
162.05547	0.9
171.10283	1.0
173.04530	6.9
174.05591	8.8
179.03471	3.4
187.06387	0.8
191.05571	2.3
193.03687	1.3
196.11389	0.8
197.07146	1.6
197.11841	1.1
198.07898	0.8
203.05830	2.7
203.11870	1.6
213.10309	41.0
214.10626	1.0
215.11870	3.4
223.08806	1.3
225.10167	3.5
226.11046	4.1
227.11905	0.8
236.09320	1.5
237.10233	1.5
239.11877	20.1
240.12209	1.2
241.13420	19.6
249.10347	0.8
249.45450	0.7
251.11954	4.5
265.13223	0.8
267.11414	1.0
271.10785	0.9
277.09653	0.8
281.09229	2.1
283.10831	4.4
285.12430	100.0
286.12817	6.3
291.11273	2.1
293.09708	1.3
293.12909	6.5
301.11935	5.2
311.10437	1.6
313.12085	2.2
314.12833	1.3
325.11990	1.5
327.09982	0.9
328.10788	3.5
328.14331	1.4
329.15436	1.1
330.16119	2.1
340.10788	1.2
341.11539	1.9
342.12308	2.0
342.16165	1.2
343.13046	7.3
344.13727	1.5
344.17746	2.2
345.18292	1.9
346.19186	1.0
353.08646	1.1
354.12390	2.1
354.16199	4.0
355.13205	1.5
356.13998	10.9
357.14496	3.1
368.17563	2.1
369.14584	3.4
370.15564	18.7
371.16306	5.8
372.17166	8.2
382.11893	2.7
383.12677	0.8
384.13361	2.8
384.17615	1.5
385.17953	1.1
396.13364	1.0
397.14301	2.9
398.15063	15.0
399.15182	1.4
403.15225	6.6
404.15491	0.9
412.16748	10.8
413.17325	8.1
416.16116	1.4
428.16245	0.9
445.16180	1.2
449.14417	4.0
456.24133	3.0
457.16135	1.4
481.22485	1.8
485.25330	3.1
491.24570	1.4
493.22549	6.9
494.22794	1.0
511.23474	11.8
512.23755	2.1
523.23560	4.8
529.24213	1.0
535.23438	23.3
536.23645	3.7
553.24524	72.7
554.24719	9.2
556.23389	4.1
557.23737	1.1
567.22418	1.9
579.22522	10.0
580.22522	1.5
585.28455	3.7
597.23499	91.5
598.23871	13.6
611.25464	4.5
629.26129	42.5
630.26520	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	628.1516
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	0.5
61.98826	100.0
71.01389	0.3
80.96519	0.4
85.02953	0.6
93.03455	2.3
93.31889	0.2
96.96027	0.7
101.02465	0.3
109.02952	0.5
111.04572	0.2
121.02943	0.2
123.04507	0.2
133.02913	0.4
135.04506	1.0
137.02432	5.3
138.02820	0.2
151.04004	0.4
155.03554	0.2
161.02478	0.6
162.03001	0.2
173.04514	1.2
179.03542	0.7
191.05611	3.9
192.05925	0.3
197.39973	0.2
219.02914	0.2
239.06828	0.3
276.44101	0.2
353.08905	0.4
413.10858	1.6
420.53931	0.2
455.13669	0.4
552.46863	0.2
565.15381	0.9
566.16553	0.3
601.42401	0.2
628.16986	0.2
628.28027	0.7
629.18707	0.5
651.88770	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.3008
Annotation	Unknow
Peak:m/z	Relative Intensity
52.96237	0.1
55.01871	0.7
56.10224	0.1
56.99796	0.1
57.03448	0.9
58.00590	0.9
59.01376	23.7
60.01709	0.2
68.99792	0.1
69.03447	1.0
70.33537	0.1
71.01378	13.2
71.05026	0.2
72.01720	0.2
72.02165	0.1
72.99306	2.3
73.02942	11.2
75.00868	0.5
76.77228	0.1
79.67326	0.1
81.03452	0.3
83.01373	1.4
83.05034	0.1
84.02161	0.1
85.02946	7.6
86.00092	2.0
86.03279	0.1
87.00871	10.8
87.04508	4.5
88.01213	0.1
89.02440	7.5
95.01383	0.8
96.95983	0.1
97.02958	0.5
99.00872	0.6
99.04510	0.6
101.02438	10.6
101.99563	0.1
102.02782	0.2
103.04005	3.5
113.02448	6.3
114.02784	0.1
115.04008	7.2
116.04330	0.2
119.03495	2.4
125.02433	0.7
127.04002	0.3
131.03503	9.3
132.03854	0.2
135.04427	0.1
143.03499	9.5
144.03816	0.3
145.05067	1.9
159.02986	0.1
161.04582	0.5
163.06116	3.1
191.05573	0.1
205.07162	6.2
206.07475	0.2
247.08209	0.5
250.33197	0.1
301.18024	2.1
302.18253	0.2
319.19086	1.1
481.24362	0.9
482.24634	0.1
534.04175	0.1
590.98242	0.1
627.30109	100.0
628.30475	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	627.2094
Annotation	Chlorophyllide b
Peak:m/z	Relative Intensity
54.28655	0.2
55.52999	0.2
58.45159	0.2
59.01387	0.2
60.32927	0.2
61.98844	0.3
63.23371	0.3
69.59669	1.4
73.02956	0.8
79.11650	0.2
121.12531	0.2
191.05588	0.3
210.79137	0.2
231.20119	0.2
254.85243	0.2
308.30551	0.2
315.19522	1.1
316.19989	0.5
377.97382	0.2
402.74753	0.3
437.12500	0.8
438.13092	1.2
449.31549	0.2
450.13333	0.3
451.14154	1.2
452.14890	3.1
453.15170	0.8
455.10114	0.3
465.15610	0.9
466.16351	0.7
469.11096	0.3
470.15958	0.3
479.17642	0.6
480.13623	1.1
481.15045	7.8
482.15189	0.8
484.13651	0.5
493.15140	1.6
494.15784	0.8
495.16711	16.5
496.17087	2.7
505.17776	0.3
507.15891	0.7
508.18152	1.8
509.18478	1.4
512.13464	1.0
513.13959	0.3
514.15594	0.3
518.15619	0.5
521.14496	0.9
522.14783	0.4
523.16388	0.7
523.19128	0.8
524.16650	0.4
526.14862	1.1
527.15369	0.2
528.16077	0.4
533.18225	0.7
535.16315	2.0
536.16882	2.9
537.16968	0.4
539.15771	0.7
540.16809	3.3
541.16699	0.8
550.18085	0.3
551.19330	39.9
552.19611	7.5
553.17206	0.7
554.17780	0.8
555.18713	1.2
567.18121	0.6
568.16388	0.9
572.15326	3.5
573.15601	0.6
583.21564	0.4
586.16962	2.7
587.17316	0.3
595.18256	7.8
596.18140	1.3
600.18207	0.5
627.20905	100.0
628.21191	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	627.1718
Annotation	Unknow
Peak:m/z	Relative Intensity
50.34682	0.6
57.03430	2.3
59.01376	7.0
60.33396	0.6
61.98819	2.0
63.23712	0.6
68.99841	0.8
69.03447	1.4
69.83550	3.5
69.85861	0.7
71.01377	6.3
73.02917	2.1
75.00859	0.7
80.96498	1.0
81.03444	2.7
83.01377	3.8
83.05021	0.8
85.02951	4.6
87.00884	3.3
88.98788	2.4
89.02442	1.6
93.03454	5.7
94.02991	1.6
95.01376	1.4
95.05022	2.4
96.96011	13.8
97.02954	5.8
98.19939	1.0
101.02430	2.3
102.05589	1.2
102.90880	0.6
103.04018	1.1
107.04964	0.9
108.02159	1.1
109.02198	1.4
109.02947	20.1
111.04539	1.2
113.02422	1.9
115.00354	1.0
117.03404	1.0
119.03467	0.7
119.05010	0.9
121.02939	3.7
122.03730	1.5
123.04514	13.8
125.02442	14.8
127.04020	0.9
128.03499	1.0
131.03496	0.9
131.04547	0.7
132.02171	1.5
133.02942	4.5
134.03709	2.5
135.04517	10.4
136.98796	1.8
137.02438	24.8
137.03497	1.3
138.01926	1.3
139.04034	3.5
143.03511	2.2
145.02969	1.9
146.03674	1.1
146.04680	0.8
147.04446	1.8
149.02437	6.2
149.06050	1.0
150.03200	2.5
151.03993	9.1
159.04492	3.5
160.01640	4.7
160.05258	1.3
161.02443	15.6
161.06091	5.2
162.03131	1.9
163.04001	2.9
164.01134	3.9
164.98639	1.0
165.01920	8.1
166.02699	1.1
167.03503	2.8
173.04526	3.6
173.05997	1.6
174.03188	1.8
175.03993	9.6
175.07640	2.0
177.01913	0.8
177.05547	1.5
179.03487	10.7
185.06093	0.7
187.04041	5.8
187.07603	1.5
188.04761	3.0
188.33934	0.7
189.01910	3.5
189.05588	0.8
190.02673	0.8
191.05603	29.8
192.05922	1.8
193.05031	2.0
201.05588	1.6
201.09412	0.6
202.06287	1.6
203.03610	1.4
203.07108	13.0
205.05043	7.7
211.03905	0.8
212.04675	1.0
215.07103	1.4
217.04927	1.0
217.08665	0.9
218.02205	1.7
219.02913	2.5
220.07451	0.8
221.08160	1.9
227.03320	1.0
227.07172	1.8
229.01416	2.1
229.08691	0.8
230.05975	1.0
231.03026	1.1
239.03445	0.9
240.04205	4.6
241.04936	1.1
245.08163	17.2
246.08623	0.9
247.06053	1.5
255.03003	1.4
259.02368	1.8
267.06921	1.0
271.02811	0.9
271.06107	1.8
273.07559	0.8
283.02463	4.9
285.03970	2.2
285.07257	0.7
289.07156	100.0
290.07520	5.5
293.04391	1.0
294.05292	1.2
301.03540	1.8
301.07056	0.9
303.08701	6.2
313.07056	2.0
323.07684	2.2
325.03455	0.8
331.04581	1.1
337.03537	1.1
337.09341	3.7
341.06403	1.0
349.10648	1.0
353.08765	3.0
355.08206	0.9
391.11777	2.9
403.06909	0.8
409.12973	1.0
421.07858	0.9
435.10748	5.3
451.12378	5.5
465.13321	2.6
475.12390	1.3
583.19904	0.8
627.17090	21.2
627.30035	21.4
628.15649	1.2
628.22968	2.0
628.31781	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	626.1931
Annotation	Unknow
Peak:m/z	Relative Intensity
51.79461	0.5
55.14023	0.6
60.01343	0.5
61.98823	2.1
71.01378	22.3
71.61545	0.8
72.01711	0.7
78.95906	0.8
96.97035	0.6
103.04000	2.8
110.89895	0.7
115.00367	66.2
116.00683	1.0
117.48348	0.6
133.01428	0.7
135.04485	0.6
135.92128	0.6
146.04558	2.0
147.02986	100.0
148.03323	2.4
152.01144	0.7
191.05585	7.4
192.05931	1.3
275.89233	0.6
284.12466	0.7
341.10925	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.1354
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	0.7
61.98825	1.8
69.72478	1.4
71.01379	0.5
75.00873	0.7
78.87893	0.4
80.96523	0.4
85.02966	0.8
93.03451	1.1
95.01440	0.6
96.96008	1.8
98.20673	0.4
108.02206	0.8
109.02936	4.1
121.02966	3.0
125.02409	0.8
133.02959	0.5
134.03694	0.4
135.04535	1.2
137.02438	1.1
149.02374	1.9
151.00352	1.0
157.06592	0.4
159.04451	0.4
161.02461	1.4
163.00359	0.8
163.04013	0.4
164.04774	1.8
165.01993	0.5
171.04442	0.7
173.04602	0.7
173.06017	0.4
174.03149	0.5
175.03952	0.6
179.03517	0.6
183.04494	0.6
185.06172	0.6
187.04012	0.9
189.01884	0.9
190.99785	0.5
191.03516	1.1
191.05605	3.7
199.04076	0.6
201.05571	0.6
203.03496	0.6
211.04015	0.7
213.01871	0.5
213.05589	0.3
214.02612	0.6
215.03470	2.8
217.01411	1.2
217.05070	0.5
219.03079	0.4
223.06056	0.7
225.00519	0.3
227.03537	1.8
228.04228	0.7
229.01396	0.7
229.05031	1.5
230.02165	1.1
241.05151	0.7
243.02940	3.9
244.03629	0.7
245.04414	0.7
255.02762	1.6
257.04565	0.9
257.10239	0.4
257.98871	0.7
258.01663	20.3
259.02423	20.8
260.02866	0.6
267.06732	0.6
269.04520	0.8
271.02457	26.6
272.03207	18.2
273.04004	13.3
273.07059	0.7
283.02515	2.2
284.03259	0.4
285.04028	9.3
286.04291	0.6
295.02414	0.4
295.06113	0.4
296.03067	0.6
297.04111	0.7
298.01099	1.9
299.01923	1.6
301.03510	100.0
302.03857	6.1
304.02234	2.2
311.01941	2.7
313.03555	8.2
313.07111	0.6
314.04092	0.8
315.04956	0.9
325.03546	0.7
329.02994	0.4
331.04559	58.1
332.04865	3.0
343.04626	2.6
345.06198	0.5
361.05551	1.4
367.04517	1.5
385.05618	7.5
386.06210	0.7
403.06680	2.0
421.07672	0.9
435.10251	0.5
559.15668	0.4
609.12463	4.8
610.12866	0.5
627.13483	31.3
628.13721	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	626.1724
Annotation	Unknow
Peak:m/z	Relative Intensity
53.85152	0.6
59.01368	2.3
61.98827	33.1
66.48395	0.7
69.60987	3.7
71.01388	4.3
73.02946	2.4
73.49651	0.7
79.95716	1.9
83.01400	1.3
85.02946	3.2
91.87597	0.7
93.03453	1.5
95.95229	1.0
96.96013	14.4
101.02444	3.5
107.05009	1.4
109.02957	1.0
113.02439	1.4
117.03487	0.9
133.02956	13.7
134.03748	5.5
135.04517	89.1
136.04852	2.4
137.02463	1.3
161.02432	48.6
161.04585	2.4
162.02744	2.5
165.01907	0.9
173.04535	1.8
179.03479	53.3
180.03786	2.0
191.05580	8.3
219.02905	0.7
231.06915	1.5
237.07491	0.7
239.06673	13.8
239.56914	3.2
240.06537	2.9
259.02408	1.3
269.10159	0.9
286.29968	0.7
301.03525	0.8
345.83167	0.8
365.17538	0.8
381.17441	0.7
399.18497	2.7
435.10590	1.1
563.17645	100.0
564.17914	10.7
626.26447	1.0
626.35974	1.7
627.12292	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.2861
Annotation	Unknow
Peak:m/z	Relative Intensity
55.39875	0.2
57.03451	0.4
58.99702	0.2
59.01374	2.4
61.98833	2.5
67.57031	0.2
71.01399	1.2
73.02955	0.5
78.42856	0.2
78.72169	0.2
80.96519	0.4
81.03448	0.2
82.59853	0.2
83.01345	0.2
85.02944	1.1
87.00876	0.4
88.98822	0.3
89.02444	0.4
89.56040	0.2
93.03453	32.1
94.03787	0.8
95.01396	0.4
96.96028	0.9
98.20665	0.3
99.00883	0.3
101.02432	1.0
109.02961	0.4
113.02433	0.7
120.01219	0.4
121.02944	5.1
123.04493	0.3
125.02448	1.0
132.56143	0.2
133.02974	0.7
134.03703	0.3
135.04524	1.5
137.02435	100.0
138.02768	2.5
150.03244	0.3
151.03926	0.3
161.02428	1.4
173.04530	1.0
175.04077	0.3
175.28830	0.2
177.01808	0.3
179.03470	0.8
191.05597	3.4
193.05074	0.4
196.37074	0.2
197.04509	0.3
250.48178	0.2
280.37000	0.2
289.06992	0.3
290.07675	0.3
505.33701	1.3
521.33014	0.3
523.34570	0.5
565.35858	0.4
625.28601	16.0
626.28943	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.1405
Annotation	Unknow
Peak:m/z	Relative Intensity
55.46819	0.4
55.96104	0.4
56.16252	0.4
57.82870	0.4
59.01380	0.5
62.17870	0.5
65.00320	0.8
69.77880	2.3
83.01421	0.6
85.41826	0.4
98.19870	0.5
107.01396	2.2
108.02185	1.4
124.01665	0.6
148.01671	1.0
151.00333	5.9
163.00310	0.4
164.01118	0.6
177.66928	0.4
178.99866	5.5
191.05550	0.7
200.22975	0.4
215.03560	0.5
216.04413	0.6
226.02710	1.5
227.03435	2.3
243.02965	9.5
244.03389	1.1
254.02150	2.3
255.02965	23.2
256.03394	1.4
271.02451	55.5
272.02881	4.4
299.01981	3.1
300.02713	100.0
301.03333	13.1
363.48697	0.5
379.97772	0.5
445.07706	1.4
463.09137	0.7
538.42181	0.5
625.13995	81.5
626.14331	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	625.271
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	0.6
57.03436	0.7
58.00585	1.0
59.01378	15.5
67.92941	0.3
69.03455	0.8
71.00990	0.8
71.01379	14.4
71.04999	0.3
71.62621	0.5
72.01703	0.5
72.99294	1.2
73.02946	2.0
75.00874	0.4
80.02669	1.6
81.03451	2.1
82.06239	0.3
83.01381	1.6
83.05025	5.9
84.02145	1.5
85.02941	4.6
87.00875	3.8
88.98786	0.4
89.02444	12.8
93.03452	2.8
95.01376	0.8
95.05028	0.5
95.72655	0.3
96.96009	2.4
97.02932	2.5
99.00854	1.1
100.41742	0.3
101.02440	11.2
109.02927	1.8
109.06625	0.4
111.04510	1.0
111.08171	0.4
113.02441	5.4
119.03490	4.6
119.72710	0.4
121.02961	0.5
123.04517	0.7
125.02437	5.0
125.06030	0.7
127.03989	0.6
131.03487	0.6
133.02954	1.0
133.05066	0.4
135.04530	1.8
135.08150	1.2
137.02422	2.2
139.04012	0.7
143.03519	2.5
149.02367	0.5
151.04034	0.7
153.01900	0.8
155.03494	0.5
161.02452	1.8
161.04572	2.4
163.11264	4.4
165.01846	0.4
165.12830	3.0
167.03442	0.9
173.04549	2.9
175.03926	0.6
177.01881	0.7
178.81094	0.3
179.03471	1.6
179.05602	3.3
181.12376	0.6
185.04628	0.4
191.05589	9.1
191.10751	1.2
199.13353	1.0
207.06543	1.0
209.11810	100.0
210.12170	4.5
221.06712	0.9
227.12872	21.9
228.13161	1.2
229.01099	0.4
235.08167	4.8
253.09297	1.5
263.07697	0.7
271.02686	0.4
277.09341	0.7
287.07758	1.2
300.02744	0.6
301.03381	0.5
305.08792	1.7
323.09863	0.9
353.08884	0.6
379.12521	0.7
380.97134	0.4
397.13464	33.3
398.13751	1.6
415.14539	20.8
416.14636	1.6
517.78809	0.4
565.22040	1.1
583.22791	0.4
607.26025	0.8
625.15637	0.6
625.27002	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	623.2705
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	2.2
60.01675	0.2
61.98827	0.8
69.70472	1.1
71.01379	0.8
73.02945	0.4
83.01399	0.2
85.02927	0.8
86.81329	0.1
89.02419	0.3
93.03449	33.0
94.03777	0.6
95.01330	0.2
96.96014	0.4
99.00846	0.2
101.02437	0.7
108.02156	0.2
113.02437	0.5
120.01308	0.2
121.02967	0.2
123.04537	0.3
125.02451	0.7
129.35951	0.2
134.03831	0.2
135.04556	0.2
137.02432	100.0
138.02773	2.6
151.03976	0.2
151.67813	0.2
161.02426	0.4
161.04755	0.2
171.20859	0.2
179.03500	0.2
191.05588	0.6
209.11864	0.2
222.73053	0.2
275.05417	0.2
285.58371	0.2
289.07281	0.3
503.32547	0.3
563.47278	0.2
578.32300	0.3
579.32928	1.9
623.27039	16.2
624.27380	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	624.2867
Annotation	Unknow
Peak:m/z	Relative Intensity
53.57109	0.2
57.03434	0.2
59.01373	0.8
61.98825	100.0
71.01383	0.4
71.62066	0.3
77.27916	0.2
79.95722	1.8
80.96510	1.2
85.02921	0.3
93.03451	0.3
94.98066	0.2
96.95987	0.9
97.02950	0.2
101.02422	0.2
109.06570	0.4
115.12409	0.2
122.97690	0.2
125.02435	0.5
134.03735	0.2
135.04443	0.3
137.02435	0.3
139.76540	0.2
144.21887	0.2
151.03967	0.3
161.02411	0.2
164.98653	0.3
173.04601	0.2
191.05602	0.9
193.05125	0.2
197.11818	1.6
207.10362	0.3
209.11829	1.7
225.00764	0.6
253.09346	0.2
262.74307	0.2
447.41666	0.2
497.17242	0.4
539.18121	0.9
571.70245	0.2
607.23975	0.3
622.31482	0.2
624.26453	0.6
625.24707	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	624.2872
Annotation	Unknow
Peak:m/z	Relative Intensity
52.52039	0.2
59.01374	0.6
61.98828	100.0
64.44965	0.2
69.24081	0.2
69.24406	2.1
71.01382	0.3
78.56087	0.2
93.03463	0.3
96.96019	1.0
98.19813	0.4
125.02457	0.4
133.02887	0.3
134.03760	0.3
135.04521	0.3
161.02461	0.3
191.05646	0.7
193.05138	0.3
197.11850	0.6
209.11847	0.6
358.76666	0.2
624.31097	0.2
625.28839	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.1608
Annotation	isorhamnetin-3-O-rutinoside
Peak:m/z	Relative Intensity
55.01873	0.6
57.03447	0.8
59.01368	1.7
60.67215	0.4
69.03434	0.7
71.01377	2.9
71.57966	0.5
72.99305	1.0
73.02937	0.8
79.95768	0.5
83.01410	0.5
84.02637	0.4
85.02955	3.0
87.00883	0.7
89.02432	0.9
93.03450	0.8
93.86397	0.5
95.01379	0.8
96.96014	2.4
99.00906	2.2
101.02446	1.7
107.05038	0.9
108.02168	55.5
109.02328	0.8
109.02968	11.8
113.02451	1.5
115.85935	0.4
117.03493	2.4
121.02930	1.3
122.03782	0.5
123.00909	0.7
123.04559	0.5
125.02402	1.1
125.66262	0.5
133.02930	1.7
134.03737	24.1
135.00941	0.5
135.04539	8.9
137.02431	0.8
149.06056	1.8
151.04012	2.0
152.01143	100.0
153.01927	4.9
154.34869	0.5
160.01663	3.4
161.02443	5.1
161.04550	1.2
163.04012	4.6
173.04550	0.7
175.03983	2.9
177.01892	1.4
179.03488	7.8
190.13318	0.4
191.05620	2.0
193.05023	8.9
196.92012	0.5
207.02995	1.1
225.11284	0.6
260.62262	0.5
297.06079	0.6
315.07306	1.5
429.10327	12.1
429.16190	0.6
430.10739	0.8
447.11389	35.1
448.11877	2.4
543.96228	0.6
623.16095	96.2
624.16437	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	621.3924
Annotation	Unknow
Peak:m/z	Relative Intensity
53.10324	1.2
55.89711	1.1
61.98824	2.3
70.63982	3.1
70.64323	1.6
75.15977	1.4
96.24113	1.2
121.06593	1.9
123.04527	3.5
123.08154	7.7
126.96370	1.4
137.09641	1.2
137.74725	1.4
139.11266	4.0
142.02728	3.2
144.44510	1.3
149.09663	1.5
151.11293	3.0
155.14412	2.8
183.10278	1.6
199.13376	17.8
201.40651	1.3
245.19061	7.3
246.19344	1.5
271.17099	1.5
277.21661	18.8
278.21820	1.2
289.18073	61.2
290.18478	4.0
307.19122	100.0
308.19443	5.0
333.46371	1.3
438.84213	1.3
529.52496	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	622.1774
Annotation	Unknow
Peak:m/z	Relative Intensity
55.45484	0.5
58.02692	0.8
58.02971	10.8
59.01373	3.0
60.23667	0.5
61.98822	0.6
70.02975	4.6
70.29507	0.4
71.01391	2.2
71.62302	0.6
72.00910	3.2
72.99317	0.5
75.00867	1.8
85.02938	2.6
87.00875	0.7
88.98783	0.7
89.02443	1.2
89.43533	0.4
91.05527	4.0
93.03470	1.0
95.01363	0.7
96.96001	2.4
99.00890	1.4
101.02451	0.5
103.00369	0.7
107.16677	0.4
109.02987	1.0
110.94897	0.4
112.99944	0.4
113.02428	2.8
117.01974	0.5
117.54883	0.4
121.02950	8.9
122.03709	0.7
133.02963	0.7
135.04524	4.4
137.02449	0.5
137.84894	0.5
146.16571	0.5
147.04520	22.2
148.04877	0.7
149.04652	0.4
156.65991	0.4
161.02434	2.1
161.04596	0.5
162.09236	0.6
164.07159	60.8
165.07513	2.0
179.03493	1.8
191.05579	3.5
206.08206	100.0
207.08565	4.4
231.05057	0.6
249.06165	5.3
250.07048	0.9
268.53476	0.5
353.08524	0.7
371.09787	15.9
372.10199	1.0
394.29572	0.5
461.13062	2.0
623.15784	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.3121
Annotation	Unknow
Peak:m/z	Relative Intensity
50.32983	5.0
57.03421	5.5
59.01378	35.3
61.98824	45.3
71.01383	28.5
71.61945	7.3
71.62624	5.6
77.34377	5.1
83.01363	11.2
85.02929	10.7
85.36646	5.9
89.02431	14.0
94.41063	5.6
96.95996	17.5
97.06581	8.6
101.02428	18.2
104.83802	5.1
108.19897	5.9
113.02425	8.4
113.92912	4.9
125.09705	20.3
161.04524	7.7
163.11308	6.7
171.10149	6.8
181.12080	6.3
185.11896	7.0
191.05609	14.7
191.14343	9.4
207.10312	10.0
209.11755	33.2
215.14458	5.8
233.15350	18.4
245.19011	18.0
253.09248	19.3
274.55054	5.2
289.18024	49.2
307.19180	28.0
385.23831	18.0
403.24911	14.9
426.70108	6.8
430.93930	7.1
516.73077	5.9
568.59650	6.1
621.32819	100.0
622.32800	9.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.3123
Annotation	Unknow
Peak:m/z	Relative Intensity
50.87200	4.4
52.49347	3.5
59.01378	32.9
61.98824	100.0
69.23918	38.4
71.01369	17.7
73.02912	6.2
75.00879	4.8
82.95446	3.8
85.02921	5.1
87.00858	4.6
89.02425	10.1
96.69550	4.7
96.96017	16.0
97.06587	6.4
98.20638	11.7
99.36384	3.9
100.61657	4.5
101.02433	18.6
113.02421	8.7
125.02359	7.2
125.09685	11.9
132.02168	4.7
161.02399	4.1
161.04544	5.7
169.12303	7.2
171.10237	15.9
185.11742	5.7
191.05620	15.6
191.14175	4.0
209.11804	22.7
227.12819	7.5
245.19098	11.0
253.09259	26.4
289.18066	51.5
307.19058	40.7
603.30402	6.8
621.30438	16.4
622.28204	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	621.312
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	0.9
59.01374	77.0
60.01685	0.5
61.98827	2.0
69.24234	4.5
71.01380	11.1
73.02956	3.7
83.01360	1.6
85.02940	5.1
87.00910	0.7
89.02438	5.2
93.03461	1.3
95.01374	1.5
96.96011	4.0
98.46984	0.5
99.00877	1.0
101.02435	8.3
109.02934	0.8
113.02445	5.2
119.03526	0.9
119.05028	0.8
121.02924	1.0
123.08186	1.2
125.02421	0.9
135.04491	1.0
137.02408	4.6
143.03477	0.6
159.02937	0.7
161.02432	1.4
161.04568	0.8
169.04889	0.7
191.05632	2.7
223.13295	4.2
238.97621	0.5
277.21677	1.9
289.07101	0.6
301.03543	0.8
332.30777	0.6
335.22421	0.7
397.13483	1.9
415.14487	0.7
436.10999	1.2
439.26752	1.8
454.00180	0.6
457.28021	4.2
475.29047	1.3
485.13788	1.1
499.29102	0.6
501.30658	2.1
517.30139	1.1
535.31500	1.2
556.50244	0.6
577.32220	100.0
578.32617	10.7
621.27966	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.3124
Annotation	Unknow
Peak:m/z	Relative Intensity
51.04839	0.5
55.01869	0.9
55.50341	0.5
57.03447	0.9
59.01377	76.7
61.98825	3.9
62.57132	0.6
68.42001	0.6
69.03434	0.6
70.28743	0.6
71.01378	10.5
72.99303	0.7
73.02954	3.9
83.01394	1.8
85.02956	5.5
87.00887	1.4
88.98786	1.3
89.02440	4.9
93.03453	4.0
96.96011	5.0
98.19929	1.5
98.95623	0.9
99.00860	1.8
101.02441	7.5
104.62148	0.6
109.02921	1.3
113.02467	5.6
113.96503	0.6
119.03478	2.2
119.05048	0.9
121.02914	2.6
123.04440	0.7
123.08113	0.8
125.02436	1.6
130.99489	0.6
131.05057	0.6
133.02992	0.9
134.03723	1.4
135.04480	1.4
137.02435	9.1
143.03470	0.7
146.76273	0.6
149.02414	1.3
153.01855	1.3
160.01653	1.7
161.02432	3.3
161.04544	1.4
162.02844	0.7
173.04561	1.5
175.03970	0.8
179.03493	0.7
179.05605	0.7
183.83209	0.6
191.05626	3.8
193.05025	1.5
205.05106	0.7
207.06627	7.8
209.04504	1.3
223.05954	1.0
224.02499	0.6
226.08514	0.6
269.06631	0.9
295.22742	1.1
301.03485	1.1
341.08646	1.0
342.07065	0.6
371.09897	1.3
380.08170	0.8
413.14453	2.5
421.25940	0.8
439.26920	2.2
447.09067	0.7
457.28055	3.8
475.28973	1.3
535.31525	1.0
561.29297	1.5
577.32214	100.0
578.32672	9.7
621.20496	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.2545
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	0.4
58.38437	0.3
59.01096	0.6
59.01377	8.7
61.98822	0.5
63.32215	0.3
63.82875	0.3
71.01376	5.2
71.62470	0.5
73.02591	0.3
73.02937	1.9
81.03453	0.4
81.20213	0.3
83.01373	0.7
85.02953	1.9
87.00861	0.6
89.02441	4.4
93.03453	22.4
96.96017	3.3
99.00881	2.7
101.02435	3.8
109.02946	0.6
113.02438	1.8
116.92841	0.5
119.03518	0.5
121.02954	10.2
125.02429	1.3
128.90160	0.6
131.03522	0.3
133.02934	0.8
135.04500	2.7
136.01683	1.0
136.04059	0.4
137.02437	100.0
138.02785	2.6
143.03426	0.6
147.04544	0.5
147.80986	0.3
149.02428	0.4
156.32918	0.3
161.02504	1.5
161.04584	0.5
163.03989	1.7
173.04597	0.8
179.03499	2.3
179.05684	0.3
191.03941	0.3
191.05562	2.3
193.05063	1.1
195.13881	0.9
198.13634	0.3
201.11339	0.4
205.12396	0.3
207.06429	0.4
209.04517	8.0
223.13371	5.8
224.13622	0.4
229.23955	0.3
235.08057	0.4
245.96819	0.3
253.09308	0.4
269.06641	12.2
270.07047	0.4
287.44586	0.3
301.03436	1.0
311.07730	8.9
312.07880	0.4
312.27963	0.3
331.04486	0.5
341.08752	14.5
342.09134	0.9
371.09799	14.0
372.09866	0.8
397.13464	3.6
411.12955	0.4
413.10846	2.0
415.14459	1.8
423.11182	0.4
431.11981	1.3
481.04080	0.3
501.30600	3.7
519.31854	0.9
520.11566	0.3
558.22852	0.5
577.32507	2.6
621.17719	4.2
621.27698	1.0
622.18604	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.2545
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	0.4
58.38437	0.3
59.01096	0.6
59.01377	8.7
61.98822	0.5
63.32215	0.3
63.82875	0.3
71.01376	5.2
71.62470	0.5
73.02591	0.3
73.02937	1.9
81.03453	0.4
81.20213	0.3
83.01373	0.7
85.02953	1.9
87.00861	0.6
89.02441	4.4
93.03453	22.4
96.96017	3.3
99.00881	2.7
101.02435	3.8
109.02946	0.6
113.02438	1.8
116.92841	0.5
119.03518	0.5
121.02954	10.2
125.02429	1.3
128.90160	0.6
131.03522	0.3
133.02934	0.8
135.04500	2.7
136.01683	1.0
136.04059	0.4
137.02437	100.0
138.02785	2.6
143.03426	0.6
147.04544	0.5
147.80986	0.3
149.02428	0.4
156.32918	0.3
161.02504	1.5
161.04584	0.5
163.03989	1.7
173.04597	0.8
179.03499	2.3
179.05684	0.3
191.03941	0.3
191.05562	2.3
193.05063	1.1
195.13881	0.9
198.13634	0.3
201.11339	0.4
205.12396	0.3
207.06429	0.4
209.04517	8.0
223.13371	5.8
224.13622	0.4
229.23955	0.3
235.08057	0.4
245.96819	0.3
253.09308	0.4
269.06641	12.2
270.07047	0.4
287.44586	0.3
301.03436	1.0
311.07730	8.9
312.07880	0.4
312.27963	0.3
331.04486	0.5
341.08752	14.5
342.09134	0.9
371.09799	14.0
372.09866	0.8
397.13464	3.6
411.12955	0.4
413.10846	2.0
415.14459	1.8
423.11182	0.4
431.11981	1.3
481.04080	0.3
501.30600	3.7
519.31854	0.9
520.11566	0.3
558.22852	0.5
577.32507	2.6
621.17719	4.2
621.27698	1.0
622.18604	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.2184
Annotation	Unknow
Peak:m/z	Relative Intensity
58.70988	0.3
59.01377	100.0
60.01720	0.8
61.98836	4.6
69.24671	0.3
69.58352	2.0
71.01379	3.4
73.02935	0.9
78.95927	0.5
83.01381	0.6
85.02939	1.6
89.02449	0.8
93.03475	0.7
96.96008	1.1
101.02454	1.1
102.05659	0.5
109.02959	1.4
113.02476	1.8
121.02946	2.8
125.02447	0.5
133.02953	0.4
135.04512	1.0
136.96858	0.3
137.02493	0.5
148.57625	0.4
153.01955	2.0
153.47720	0.4
159.10168	0.5
161.02455	0.9
161.04526	1.7
173.04601	0.4
179.03468	0.6
191.05614	1.6
209.11867	0.6
237.07674	3.2
357.13541	1.1
392.24310	0.5
415.18430	0.3
501.17923	0.4
519.18707	2.4
559.23871	2.1
561.19714	0.7
625.10358	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.1819
Annotation	Unknow
Peak:m/z	Relative Intensity
50.81420	0.2
55.01873	0.3
59.01377	4.2
61.98837	0.4
68.02534	0.3
69.03453	0.2
71.01376	2.1
72.99302	0.5
73.02942	0.6
83.01379	0.2
85.02964	0.7
87.00901	0.5
88.98788	0.5
89.02441	1.6
89.03959	0.8
91.01912	1.0
93.03453	1.8
96.96020	1.3
97.02950	0.5
98.20581	0.5
99.00902	0.6
101.02419	0.9
106.04234	0.3
107.05004	0.3
108.02200	0.3
109.02959	0.4
113.02462	0.6
117.03458	2.9
119.01413	0.5
121.02952	100.0
122.03284	2.2
123.04501	0.2
125.02451	1.3
125.48872	0.2
126.99577	0.2
132.02147	1.7
133.02977	0.4
134.03735	49.8
135.04010	1.4
137.02438	1.3
139.04091	0.2
143.03461	0.3
145.02979	0.2
149.02423	0.8
149.06068	4.8
151.03999	7.4
152.08432	0.3
153.09196	0.4
160.01656	6.9
161.02341	0.7
161.04617	0.3
163.03925	0.2
164.04755	0.5
165.05565	0.2
171.10231	0.3
173.04480	0.4
175.03983	7.3
175.05501	0.4
176.04318	0.4
178.02605	0.6
179.03523	0.5
184.07233	0.2
191.05673	1.0
191.10918	0.2
193.05040	60.5
194.05412	2.1
205.05006	0.4
205.12350	2.0
223.06044	1.2
233.06645	0.5
235.06073	0.8
265.07214	0.3
275.07806	0.3
289.07306	0.3
323.18719	0.2
325.20218	0.3
367.10217	0.6
469.13470	10.4
470.13593	0.8
485.13824	0.4
499.21851	2.2
501.30630	0.4
547.27356	0.2
561.29150	0.4
577.32294	1.8
621.18347	0.6
621.31409	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	620.1878
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12418	1.1
51.36008	1.1
59.01374	9.0
61.98820	5.5
69.03462	1.2
71.01363	4.5
71.62942	1.9
73.02920	1.5
75.00874	1.3
79.95729	1.6
81.03449	1.7
81.04558	1.1
83.01385	6.1
85.02935	4.2
87.00850	2.1
88.98795	2.9
89.02424	3.7
93.03449	6.2
94.78502	1.3
95.01340	1.6
95.04989	1.7
95.48499	1.1
96.96003	31.4
97.02930	4.4
98.95587	1.7
101.02431	2.7
107.05016	1.4
108.02190	2.0
109.02949	25.2
113.02410	1.7
120.01267	2.0
121.02954	8.7
122.03751	2.3
123.00898	1.7
123.04536	14.8
125.02438	17.4
125.03405	2.5
128.03506	1.5
133.02960	3.8
135.04541	14.0
135.05539	2.5
136.04906	1.2
137.01425	2.3
137.02432	34.2
139.04016	5.6
145.02951	9.4
146.03690	4.2
147.04492	2.9
149.02440	17.1
151.04013	11.0
152.04243	1.3
154.02592	5.5
155.04608	4.7
159.04466	8.2
161.02446	10.5
161.06079	19.6
162.01843	1.3
162.03151	2.6
162.04402	1.5
163.00276	3.1
163.03983	4.4
164.01134	1.9
165.01888	6.9
167.03432	1.6
167.04739	1.2
169.04900	31.2
173.04468	4.0
173.05945	2.4
174.03207	1.2
175.03949	3.8
175.07552	1.5
179.03416	9.5
180.04144	5.4
182.05670	19.5
184.07256	44.9
185.06076	8.3
187.03973	12.7
188.04675	2.7
191.03508	2.0
191.05583	14.3
192.05904	1.5
195.06525	5.3
196.49199	1.1
199.07619	2.7
201.05534	1.8
202.06305	2.4
203.03432	2.2
203.07123	15.2
205.05026	10.9
210.06793	2.0
210.08809	27.9
213.05705	2.1
215.07062	4.4
221.08151	1.1
227.07069	3.7
229.01393	1.3
229.04897	5.9
231.06906	2.6
234.08827	6.1
236.06676	5.9
239.06827	7.0
239.56891	1.5
245.08153	17.5
247.06047	4.1
252.09845	3.5
255.06580	1.3
257.08093	1.5
271.05972	1.7
273.03943	5.1
283.06119	20.1
284.06335	1.9
289.07162	63.9
290.07559	2.3
299.05566	3.5
301.03732	1.7
301.07043	5.7
304.09433	1.7
318.07272	2.5
332.08774	9.2
365.17749	1.4
382.91699	1.3
391.11768	4.9
399.18222	1.6
435.10797	92.9
436.11273	7.5
484.13571	100.0
485.13931	9.0
538.73407	1.6
539.22870	1.3
557.20483	1.4
620.18298	4.3
620.33020	3.0
620.76276	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	620.1073
Annotation	Unknow
Peak:m/z	Relative Intensity
54.56488	0.6
56.40086	0.6
59.01370	3.1
61.98816	1.7
67.01868	1.9
69.03439	0.9
71.01373	2.9
72.99294	3.0
75.00848	0.7
79.95715	4.8
80.29439	0.7
80.96494	0.8
81.03466	1.1
83.01362	1.1
83.04998	0.8
85.02953	1.5
87.00866	1.3
93.03451	16.4
96.95999	7.8
98.95560	0.8
101.02440	1.4
101.81273	0.6
109.02929	2.3
111.00901	1.0
111.04508	6.1
113.02449	1.2
116.05064	6.1
119.87898	0.6
121.02962	0.9
123.04445	0.7
125.02458	1.2
128.05045	2.1
130.06627	2.0
133.02998	3.1
134.03716	2.1
135.04523	19.9
137.02432	6.1
142.06616	8.6
150.03203	1.0
153.01878	1.0
155.03554	5.7
158.06111	20.9
159.06456	1.1
161.02448	15.5
161.06154	0.7
173.04543	65.8
174.04849	1.0
177.01799	1.0
178.02687	0.9
179.03487	15.6
180.03693	1.0
180.50185	0.7
186.05600	8.4
187.06012	0.7
191.05603	13.4
192.05925	1.8
204.06639	61.5
205.06984	2.2
210.02232	2.1
222.02245	4.0
238.01723	4.8
260.53586	0.8
284.02319	6.0
289.07233	4.6
290.07541	0.7
335.07574	2.6
336.07428	0.8
353.08627	1.5
378.11911	9.5
394.05981	2.7
412.07016	1.3
428.10880	0.9
440.06290	1.6
458.07434	3.3
522.14130	0.8
540.15039	1.0
574.10052	2.8
577.52240	0.7
596.34241	0.7
602.10089	3.2
620.10706	100.0
621.10803	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	619.2272
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	1.5
62.59299	0.1
70.93728	0.2
71.01395	0.6
78.95899	2.5
79.95737	2.8
83.39829	0.1
85.02941	0.4
88.98801	0.4
89.02433	0.3
93.03436	0.3
96.96007	100.0
96.96894	4.9
98.95634	0.3
101.02442	0.4
113.02480	0.2
120.74295	0.2
126.47507	0.2
135.04497	0.2
137.02377	0.2
161.04590	0.3
164.07117	0.2
173.04559	0.3
179.03520	0.2
191.05582	2.5
192.05948	0.2
241.05026	0.3
256.07483	0.2
271.09698	0.6
285.54498	0.1
337.09369	0.3
349.20285	0.2
388.41080	0.1
401.52338	0.1
511.25378	1.4
529.26508	0.3
555.24725	0.2
596.48077	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	619.2552
Annotation	Methyl pheophorbide b
Peak:m/z	Relative Intensity
57.59459	0.5
99.91212	0.5
101.07533	0.5
164.66484	0.7
274.16605	0.5
296.84253	0.5
311.22229	1.2
389.14844	0.6
401.14078	2.0
415.15601	2.8
416.16370	12.0
417.16693	0.9
429.17056	1.2
430.17929	2.4
431.18875	1.5
434.17075	0.8
444.15494	1.1
445.06293	0.6
457.16000	0.7
458.17606	1.3
459.18207	100.0
460.18637	11.8
473.19742	14.8
474.20523	7.0
475.21396	0.9
485.16177	0.8
487.17389	1.0
499.17755	0.7
501.19296	1.4
503.17130	3.2
504.17630	0.8
506.69476	0.6
513.19177	0.9
517.18890	1.2
518.11493	1.3
518.19525	43.8
519.19751	4.9
532.20966	7.2
533.21863	85.9
534.22205	12.6
587.22968	6.0
588.23267	1.2
619.25531	83.9
620.25806	14.3
632.77905	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.1666
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	1.2
61.98842	0.7
70.08569	2.3
71.01371	1.1
75.00880	0.8
78.95905	2.0
79.01894	1.1
79.95727	3.2
83.01365	0.6
85.02953	0.9
87.00864	0.6
88.98785	0.4
89.02477	0.8
93.03458	6.8
93.96348	0.4
96.54360	0.4
96.96007	100.0
96.96886	3.3
97.95930	0.7
98.95583	4.8
98.96244	0.5
98.96473	0.5
109.02951	1.0
111.04495	0.6
111.59135	0.6
113.02437	1.0
117.03431	0.5
119.05034	3.6
120.01247	0.7
121.02961	0.9
123.04447	0.5
125.02423	0.7
133.02972	1.1
135.04536	7.5
137.02441	1.3
143.05034	8.9
145.02895	1.8
145.06555	0.8
147.04524	1.0
149.02443	1.3
150.03207	2.9
150.04184	0.4
151.03964	0.9
153.15526	0.5
158.03754	0.4
159.04532	0.6
161.02423	2.9
161.06055	0.9
162.03082	0.5
163.04007	3.1
165.05525	1.2
173.04539	1.0
173.06093	0.6
175.03990	1.4
177.01855	1.0
177.05524	1.0
178.02631	0.9
179.03510	7.0
185.05965	0.6
187.04008	1.2
188.04565	0.5
189.01929	1.1
189.05525	0.8
191.03548	1.6
191.05608	6.2
192.06078	0.5
195.06656	0.8
203.03564	1.3
205.01314	0.8
212.17018	0.5
215.03445	1.1
217.05066	1.1
229.05035	1.6
245.04416	0.7
267.07156	1.7
307.06039	0.8
308.06802	1.8
309.07538	2.1
321.07727	4.2
322.08466	6.9
323.09210	8.3
333.07477	1.5
335.09091	0.7
337.07138	1.8
347.09128	0.6
349.07028	2.7
351.08710	6.9
361.07178	1.7
363.08563	1.6
377.06570	0.6
379.08206	34.9
380.08527	3.3
381.09976	0.7
391.08203	4.4
409.09265	19.1
410.09567	1.1
421.09189	3.0
423.10226	0.7
439.10275	0.6
451.10052	0.6
455.19150	2.6
499.12378	10.2
529.13385	2.4
559.15625	0.5
601.15601	0.6
619.16626	98.5
620.17108	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	618.3853
Annotation	Unknow
Peak:m/z	Relative Intensity
53.37764	0.4
58.38778	0.4
59.39227	0.4
61.98826	100.0
66.51052	0.4
70.93449	0.4
70.93773	0.7
70.96778	0.4
78.95938	0.6
87.24425	0.4
152.51230	0.4
156.64687	0.4
196.39256	0.4
338.71652	0.5
427.40753	0.5
524.96027	0.4
533.98059	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.1664
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	4.7
71.01373	3.7
72.99286	2.3
73.02943	1.6
77.57408	0.6
78.95904	0.5
79.95741	0.9
83.05018	0.7
85.02956	1.6
87.00862	0.6
89.02455	1.9
91.05494	0.5
93.03468	2.2
95.01376	0.7
95.04974	0.5
96.96004	15.1
99.00880	2.1
101.02438	1.7
107.05039	1.2
109.02933	1.4
113.02429	1.6
116.05067	0.7
116.92850	4.4
117.03470	0.7
119.05022	87.2
120.05347	2.6
123.04548	0.6
125.02449	1.1
132.02176	1.1
133.02957	20.5
134.03773	3.8
135.04521	71.3
136.04858	1.7
137.02449	1.9
138.77698	0.4
145.02939	0.7
153.01857	0.5
155.03557	0.6
158.06090	1.7
159.04523	0.5
161.02441	65.4
162.02812	2.5
163.04001	56.0
164.04364	1.9
173.04539	3.5
176.01161	1.6
177.01888	1.4
179.03485	33.7
180.03810	1.5
191.03571	1.0
191.05602	6.5
204.06653	6.2
205.05003	1.3
210.02254	0.6
222.02385	0.6
239.06709	0.7
283.02451	0.6
284.02435	1.2
353.08990	1.0
428.06696	1.5
439.12079	0.6
457.13449	100.0
458.13818	9.2
499.91592	0.6
559.27448	1.4
619.16632	33.1
620.10669	5.3
620.17963	2.7
630.68127	0.5
647.83954	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.3843
Annotation	Tabernaebovine
Peak:m/z	Relative Intensity
52.25034	0.1
61.98817	0.3
64.89662	0.1
71.04988	0.1
78.95905	0.2
81.91230	0.1
82.95418	0.1
84.60854	0.1
87.93835	0.1
93.03456	0.5
96.95954	0.1
97.06584	0.3
102.63708	0.1
117.03469	3.8
118.03719	0.1
119.05021	65.7
120.05368	1.8
121.02978	0.5
123.04516	0.1
124.81882	0.1
131.05045	0.3
132.05814	1.8
134.03741	0.2
135.04504	0.3
145.02942	5.5
146.03313	0.2
147.04546	0.1
163.03998	76.6
164.04332	2.7
175.03976	0.3
191.05554	0.2
387.62646	0.1
391.29977	0.8
402.14413	0.1
405.31418	0.2
407.33121	0.8
423.28900	0.2
453.33698	23.6
454.34055	3.0
485.90054	0.1
588.95905	0.1
617.38397	100.0
618.38751	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	618.1822
Annotation	Unknow
Peak:m/z	Relative Intensity
52.01378	0.7
58.02965	10.3
67.01882	1.2
70.02970	5.7
70.94855	0.8
72.00899	3.2
75.39239	0.9
78.95888	2.4
79.95719	1.7
82.08336	0.7
85.02955	1.2
87.00865	1.5
91.05518	4.8
93.03452	7.3
96.96007	77.1
96.96985	3.0
97.95938	2.0
98.95586	6.2
98.96351	0.9
111.04513	1.1
134.03719	4.6
137.02428	0.9
147.04510	19.7
164.07149	55.3
165.07463	2.2
173.04530	15.8
191.05591	18.0
193.05048	3.3
206.08197	100.0
207.08574	3.7
367.10315	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	617.3842
Annotation	Tabernaebovine
Peak:m/z	Relative Intensity
56.63630	0.3
64.92097	0.3
69.93330	1.7
117.03460	4.3
119.05023	54.8
120.05349	1.8
131.05000	0.5
132.05815	1.4
145.02945	5.1
163.04001	67.2
164.04347	2.5
174.25624	0.3
232.16869	0.3
237.55424	0.3
381.24112	0.4
391.29828	0.4
453.33728	19.5
454.33893	1.6
617.38428	100.0
618.38788	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	616.3697
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98825	100.0
68.62376	0.1
69.27007	0.6
69.27431	1.1
70.68630	0.2
73.34537	0.1
75.58757	0.2
98.19820	0.3
105.87675	0.2
158.07288	0.2
161.09717	0.3
179.10762	0.8
197.11794	2.4
197.13228	0.2
241.10918	0.3
249.16594	0.2
255.23264	2.6
256.23608	0.3
283.42581	0.2
297.13254	0.2
315.14542	0.3
553.37396	6.4
554.37695	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.2114
Annotation	Unknow
Peak:m/z	Relative Intensity
60.97941	0.1
61.98824	0.3
66.18411	0.1
70.73688	0.1
70.74004	0.3
78.95895	2.4
79.95734	2.5
85.02919	0.1
96.96005	100.0
96.96888	4.1
97.95962	0.3
98.19995	0.1
109.02918	0.2
115.10555	0.1
122.87576	0.1
125.02460	0.2
135.04474	0.2
137.02487	0.1
161.02440	0.2
164.93970	0.1
165.01918	0.2
173.04555	0.2
177.01909	0.3
179.03540	0.2
191.05573	0.8
390.47226	0.1
603.86865	0.1
617.22699	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.3175
Annotation	Unknow
Peak:m/z	Relative Intensity
54.28509	0.2
58.00598	0.3
59.01378	2.6
61.98830	1.1
63.69965	0.2
67.01894	0.2
71.01376	2.8
73.02948	0.7
80.02676	0.9
81.03454	0.8
83.01385	0.5
83.05016	3.4
84.02164	0.5
85.02948	0.7
87.00880	0.7
89.02435	1.7
93.03432	0.5
95.01334	0.2
95.05035	0.8
96.96006	1.3
97.02989	0.3
97.06628	0.3
98.95615	0.3
101.02441	2.3
113.02429	1.3
116.27214	0.2
119.03502	0.6
125.02505	0.5
125.06075	0.3
125.09695	0.9
127.11285	1.6
135.04529	0.6
135.08212	0.4
137.02419	0.5
139.04039	0.3
145.05051	0.3
153.09236	0.6
161.02480	0.6
161.04593	1.2
163.11275	2.9
165.12836	1.9
171.10258	100.0
172.10614	3.2
173.04575	0.3
173.61331	0.3
179.05618	0.4
181.12318	0.6
191.05609	1.4
191.10760	0.8
197.11853	0.3
199.13339	0.5
201.11298	0.5
207.10182	0.4
209.11809	87.5
210.12141	3.8
217.01447	0.4
227.12871	11.8
228.13226	0.8
235.08217	3.0
253.09268	7.4
258.80466	0.3
345.20538	0.2
378.58536	0.3
381.21265	0.2
407.19174	1.9
445.20609	1.4
454.56064	0.3
463.21808	0.4
581.29242	0.4
599.29724	0.3
617.30676	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	616.2921
Annotation	Unknow
Peak:m/z	Relative Intensity
58.48816	0.2
60.37125	0.1
61.98826	0.3
71.09175	0.4
75.99428	0.2
78.95896	1.2
79.95724	2.6
96.96004	100.0
96.96881	2.6
97.95937	0.2
112.48636	0.1
146.81673	0.2
171.10260	0.3
191.05605	0.3
197.44087	0.2
225.52544	0.2
249.18178	0.1
528.08490	0.1
607.28247	0.2
616.30499	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	616.2918
Annotation	Unknow
Peak:m/z	Relative Intensity
51.44911	0.2
57.01648	0.2
61.98827	1.5
68.42155	0.2
71.01370	0.2
78.95904	1.3
79.95731	2.8
96.07584	0.1
96.96004	100.0
97.48814	0.2
98.19885	0.4
119.20848	0.2
132.18445	0.1
134.01601	0.2
142.49478	0.2
152.16127	0.2
152.99586	0.2
171.10266	0.3
191.05603	0.6
275.77927	0.1
405.24005	0.2
471.35349	0.2
555.91736	0.2
616.33368	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	615.1956
Annotation	Unknow
Peak:m/z	Relative Intensity
57.64538	0.1
58.49802	0.1
59.01369	0.2
71.61581	0.2
72.44239	0.1
78.95901	2.4
79.95734	2.6
85.02958	0.2
87.04362	0.1
93.03461	0.2
96.96006	100.0
96.96891	3.9
97.95956	0.3
100.60386	0.1
109.02935	0.1
123.04549	0.1
135.04536	0.2
161.02467	0.2
173.04512	0.2
191.05592	1.0
340.64850	0.1
386.88199	0.1
456.09360	0.1
531.82996	0.1
563.91272	0.1
615.17242	0.3
629.98108	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	615.2827
Annotation	Unknow
Peak:m/z	Relative Intensity
50.66010	0.2
54.15447	0.3
57.03451	0.4
57.09181	0.2
59.01375	12.3
61.98827	2.9
70.76180	0.3
70.76517	0.6
71.01367	1.0
73.27797	0.3
78.95909	0.8
79.95740	0.8
83.01364	0.4
85.02954	0.6
87.00901	0.3
89.02415	0.7
93.03455	1.0
96.96008	29.6
96.96986	1.0
97.95953	0.5
98.95589	2.7
98.96385	0.7
101.02451	1.6
104.53903	0.3
104.90836	0.3
109.02953	1.2
113.02437	0.7
121.02950	0.4
123.04487	0.4
125.02441	0.8
134.03813	0.3
135.04509	1.2
137.02441	1.1
139.03883	0.4
143.64186	0.3
149.02451	0.4
151.03981	0.5
161.02448	1.4
163.90134	0.3
165.01897	0.4
165.04089	0.5
173.04533	1.0
175.03984	0.4
177.01930	0.5
179.03481	0.8
191.05595	4.6
192.05943	0.5
203.07114	0.3
205.05046	0.4
209.04520	0.3
215.03484	0.4
231.02914	0.3
243.02934	0.4
255.02811	0.4
258.01474	0.4
259.02460	1.1
271.02469	1.9
272.03232	3.3
273.04135	1.3
273.06931	0.3
283.02521	1.5
285.03909	1.3
289.07263	0.5
290.07593	0.3
297.03934	0.9
299.05447	0.6
301.03525	3.4
302.49600	0.3
313.03445	0.4
327.04962	0.8
331.04572	3.2
331.20950	0.4
332.05093	0.3
351.21658	0.4
357.06174	1.4
375.19778	1.2
392.21143	2.9
393.20901	100.0
394.21198	8.0
403.06519	1.2
421.07669	0.9
423.10690	1.3
435.21924	2.8
451.09854	0.3
495.09454	3.2
525.10486	2.4
555.26190	14.3
556.26489	1.6
597.12524	1.1
615.13177	5.2
615.28735	1.9
616.14148	1.0
616.28632	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.4446
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93351	1.1
59.01369	1.3
61.36049	1.0
61.68031	1.1
61.98814	2.5
69.03465	1.2
69.81511	2.1
69.81873	5.9
75.66282	1.0
78.95896	2.1
93.43637	0.9
94.22330	1.1
95.04976	1.4
96.96013	1.9
99.11115	1.3
104.09411	1.2
116.84379	1.1
118.79581	1.2
125.09706	2.4
150.03159	1.6
171.10257	43.7
172.10603	1.2
207.10139	1.3
211.05617	1.2
227.87793	1.2
249.22258	2.0
271.73441	1.2
277.21701	51.7
278.11301	1.4
278.22095	3.2
295.22763	94.5
296.23068	5.4
311.22052	1.3
317.20932	37.1
318.21286	2.4
361.20181	7.2
469.34457	1.4
546.22620	1.2
613.44366	100.0
614.44543	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	615.1954
Annotation	Unknow
Peak:m/z	Relative Intensity
55.98960	0.1
59.01373	0.1
69.03416	0.1
69.90987	0.6
74.91818	0.1
78.95895	2.7
79.95740	2.9
83.32947	0.1
88.61251	0.1
91.54760	0.1
93.03445	0.2
94.98083	0.2
96.96007	100.0
96.96891	4.4
97.95937	0.3
98.20618	0.1
137.02457	0.1
149.90096	0.1
173.04536	0.2
188.25760	0.1
191.05640	0.8
199.31409	0.1
247.06410	1.0
247.56625	0.2
353.08167	0.1
393.20926	0.1
487.27679	0.1
571.16187	0.2
615.19995	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.2628
Annotation	Unknow
Peak:m/z	Relative Intensity
51.16485	2.4
52.07429	2.6
57.00007	3.2
58.31166	2.5
59.01377	8.2
61.98827	57.5
69.70528	15.9
71.01366	15.4
78.50630	2.9
83.01398	3.9
84.33556	2.8
84.57778	2.6
85.02928	3.2
89.02461	3.4
94.98103	3.3
96.96012	11.8
97.43153	2.8
98.19930	6.4
101.02463	6.1
109.06579	5.9
113.02463	3.0
113.06122	4.9
125.02424	6.5
131.34637	2.7
137.02429	5.6
159.99252	2.7
163.11261	4.7
164.01065	3.3
165.01910	5.3
169.12277	6.1
171.10283	35.8
191.05565	4.6
197.11815	100.0
198.12251	4.0
199.09833	22.7
201.11185	6.3
207.10269	28.7
209.11856	24.6
223.13335	21.6
225.11342	19.7
227.12872	5.0
253.09276	23.5
256.54727	2.7
366.29312	3.2
389.64380	2.9
433.20908	4.9
435.18710	10.8
461.20129	12.4
462.20966	3.4
613.26697	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	613.2626
Annotation	Unknow
Peak:m/z	Relative Intensity
50.66153	2.8
59.01376	9.4
60.34544	3.0
61.98823	17.3
66.26492	2.8
70.76124	5.6
71.01363	19.9
73.02949	5.6
75.48552	2.9
75.80846	3.0
80.30539	2.9
81.18432	3.2
85.02963	3.1
88.18230	2.9
89.02448	3.9
93.03461	4.8
96.95992	9.8
97.02946	3.0
101.02439	7.3
109.06549	7.6
113.06064	9.0
125.02436	8.7
137.02415	6.1
149.42662	3.7
161.02385	3.8
161.04576	4.0
163.11243	6.2
165.01872	7.2
167.10742	3.9
169.12277	7.3
171.10252	60.1
181.08694	4.5
187.06279	3.2
191.05530	4.0
195.13887	4.8
197.11815	100.0
199.09737	43.1
201.11264	7.7
207.10222	36.8
209.11830	19.7
223.13420	38.0
225.11307	23.3
227.12711	7.0
235.08072	5.1
253.09274	35.5
366.56610	3.4
372.84988	3.0
407.18866	3.2
433.20456	6.1
435.18823	17.8
461.20184	16.8
465.19382	3.2
591.67096	3.7
613.27466	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	613.1565
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	4.2
61.98822	10.3
71.01375	3.0
71.62485	1.3
72.03781	0.7
73.02944	0.8
78.49580	0.9
78.65180	0.8
79.27229	0.8
79.95721	3.0
81.03430	1.0
82.72192	0.7
82.95432	0.8
83.01392	0.8
85.02927	2.6
85.29408	0.7
87.00891	1.4
89.02419	1.2
93.03453	4.2
96.96006	70.5
101.02409	1.1
108.02182	6.5
109.02952	39.6
110.03249	0.8
111.04493	1.0
113.02435	1.0
116.92850	1.2
117.03402	1.0
119.05036	1.7
121.02936	2.4
123.04519	12.5
125.02407	2.6
127.04019	0.8
133.02954	8.5
134.03706	1.2
135.04521	12.4
137.02435	3.5
145.02994	3.6
147.04549	3.9
149.02440	1.1
149.05995	1.1
150.03116	1.3
151.03993	5.1
152.01161	11.4
153.01826	1.2
156.82770	0.8
159.04501	1.8
161.02434	25.0
162.02873	2.7
163.04015	3.3
165.01958	1.1
165.05585	1.0
173.04524	4.3
175.04004	1.5
176.01118	1.6
177.01918	25.5
177.05412	1.1
178.02451	0.9
179.03497	9.5
180.03889	1.2
187.03975	2.7
189.01930	56.6
190.02693	11.8
191.03497	10.0
191.05606	16.2
192.05927	1.0
203.03503	6.9
205.05052	1.6
216.00574	8.4
217.01402	47.5
218.01958	3.5
219.02975	16.1
220.03209	1.0
229.05086	1.4
231.02971	15.0
232.03589	1.4
233.04414	2.2
243.28395	0.8
245.08081	0.8
269.04764	0.9
271.05884	0.7
281.04510	1.3
285.03989	1.0
289.07117	3.0
297.07809	0.8
299.05557	2.2
301.03720	1.3
323.05539	3.0
341.06638	100.0
342.06870	7.5
353.08762	2.8
429.10419	1.8
447.11752	1.7
451.10294	85.1
452.10648	6.6
455.12076	1.3
503.11899	19.5
504.12329	1.9
550.24103	2.2
613.14941	15.5
613.23584	6.8
613.29095	6.0
614.15137	2.6
631.26715	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.0862
Annotation	Unknow
Peak:m/z	Relative Intensity
53.22968	0.1
59.01361	0.1
60.68261	0.1
63.02438	0.1
67.01879	0.1
70.62456	0.3
79.95731	3.1
84.37360	0.1
85.02950	0.1
93.03449	0.4
96.96003	100.0
97.95940	0.2
109.02917	0.1
119.97276	0.1
125.02395	0.1
135.04523	0.9
137.02466	0.2
149.00198	0.1
153.01926	0.1
161.02463	0.3
173.04553	1.3
173.73991	0.1
179.03500	1.1
191.05586	1.2
214.23488	0.1
313.07382	0.1
353.08765	1.4
515.11884	1.0
613.08716	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	613.086
Annotation	Unknow
Peak:m/z	Relative Intensity
51.85483	0.1
57.76297	0.1
69.48965	1.0
79.81725	0.1
79.95733	2.8
85.02958	0.1
96.53027	0.1
96.96004	100.0
97.95942	0.3
135.04515	1.5
161.02525	0.2
169.41013	0.1
173.04474	0.2
179.03474	2.0
187.43300	0.1
191.05586	3.7
256.47443	0.1
353.08667	3.8
354.09073	0.4
515.11865	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.1557
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	2.4
59.01376	1.4
61.98840	0.8
67.01875	0.9
69.03471	0.9
69.27746	0.6
71.01373	1.4
71.62395	0.9
79.95746	1.9
81.03448	1.7
83.01373	4.3
83.20911	0.7
85.02952	1.3
90.45295	0.7
93.03451	3.5
95.05018	2.9
96.96006	54.9
97.02930	5.1
101.02420	1.0
104.69025	0.7
107.05037	1.5
108.02184	2.4
109.02947	33.6
111.04532	1.0
112.29590	0.8
117.03428	0.8
119.04926	1.0
121.02962	4.0
122.03806	1.2
123.04517	23.0
125.02438	23.8
126.02714	0.7
132.02171	1.1
133.02954	22.0
134.03775	1.0
135.04527	14.6
137.02432	27.9
139.03995	3.8
141.00177	0.7
145.02950	1.6
146.03731	1.7
147.04532	3.4
149.02440	6.4
149.06078	0.9
150.03197	1.9
151.04001	14.6
159.04488	3.8
160.05286	1.4
161.02432	61.9
161.06036	7.0
162.03149	3.6
163.00264	0.7
163.04005	3.4
164.01096	4.6
165.01894	8.2
167.03508	3.3
173.04520	1.0
175.04060	4.0
175.07668	2.9
177.01923	19.8
177.05495	3.2
178.02242	0.9
179.03493	18.0
179.84047	0.7
184.05240	0.7
185.06046	1.0
187.04004	8.4
188.04788	7.0
189.01912	19.6
189.05424	1.1
190.02690	8.6
191.03450	2.6
191.05595	8.7
199.07666	1.0
201.05525	2.0
202.06329	2.6
203.03545	1.8
203.07130	18.0
205.05048	12.0
212.04771	1.1
216.00633	4.5
217.01421	9.2
217.08641	1.4
218.01958	2.0
219.02942	5.5
221.04463	1.5
221.08183	3.0
222.01675	1.3
227.07057	3.9
229.05133	0.9
229.08667	2.0
230.05716	1.3
231.02968	3.6
245.08159	25.8
246.08580	0.9
247.05991	1.1
255.06633	1.0
271.06168	1.8
281.01642	1.2
281.04465	9.5
282.05078	1.3
289.07153	97.4
290.07535	4.2
297.07654	6.3
299.05542	4.8
313.07294	0.8
323.07764	11.3
327.05225	0.8
341.06616	68.9
342.06927	4.6
353.08652	3.5
405.29691	0.7
449.10599	0.9
451.10358	52.1
452.10562	6.0
461.10956	7.6
613.15527	100.0
614.15973	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	612.3382
Annotation	Unknow
Peak:m/z	Relative Intensity
54.52326	1.7
57.03456	3.2
58.28288	1.9
59.01375	100.0
61.98828	33.9
67.27331	1.8
67.65141	1.9
71.01369	31.4
71.62054	2.4
72.99288	2.3
73.02940	6.4
78.98576	1.8
79.95741	4.6
80.96517	29.2
82.96114	2.3
83.01398	3.6
83.05006	2.2
85.02936	13.1
85.36341	1.8
87.00864	2.6
88.98772	1.9
89.02450	12.1
93.03429	4.1
94.98109	5.7
95.01382	3.2
96.95979	12.4
97.02951	1.9
99.00858	1.9
101.02455	15.3
102.05555	2.3
106.98085	2.7
111.00925	1.9
113.02438	22.8
119.03503	3.2
125.02452	4.0
126.02788	2.0
133.02959	2.7
135.04495	4.0
137.02412	5.2
145.39304	1.8
148.99159	3.3
159.62292	1.8
161.02458	5.3
161.04514	3.1
164.98592	4.3
165.02029	1.8
171.10201	9.3
173.04532	4.3
174.04800	2.4
179.03511	3.6
191.05586	11.8
197.11800	2.7
199.09799	1.9
207.10275	2.2
209.11755	4.4
223.13376	8.5
225.00766	5.8
225.05298	1.8
364.28534	4.4
425.91376	2.3
450.14786	1.9
465.28452	17.7
466.28943	2.3
483.29703	5.3
508.32672	32.5
509.33386	4.4
526.33826	33.6
527.34314	2.8
612.27515	59.3
613.27155	10.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.086
Annotation	Unknow
Peak:m/z	Relative Intensity
58.59629	0.1
61.27588	0.1
62.09274	0.1
64.58178	0.1
69.49900	0.8
73.45197	0.1
79.95729	2.7
82.12234	0.1
84.98412	0.1
85.33737	0.1
93.03464	0.2
96.96001	100.0
97.95929	0.3
98.20651	0.2
107.57158	0.1
111.04502	0.2
131.57423	0.1
135.04489	0.8
137.02367	0.2
154.18922	0.2
161.02455	0.3
173.04501	0.9
179.03488	1.5
191.05569	1.1
237.28694	0.1
341.06665	0.3
353.08701	1.5
377.42371	0.1
431.58566	0.1
515.11908	2.5
516.12701	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.3058
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	0.5
57.03448	0.7
58.00588	0.5
59.01375	16.2
61.98824	5.3
67.01884	0.4
68.99792	0.1
69.03454	1.0
71.01376	11.9
71.05017	0.2
72.01694	0.1
72.99300	1.9
73.02940	7.7
75.00867	0.5
81.03458	0.3
82.75393	0.1
83.01373	1.2
83.05022	0.2
85.02945	6.6
86.00087	1.5
87.00867	8.6
87.04510	3.0
88.98804	0.1
89.02443	5.4
93.03455	2.3
95.01376	0.6
96.95996	0.5
97.02949	0.4
97.06616	0.1
98.20570	0.3
99.00895	0.6
99.04514	0.5
101.02436	9.3
103.04004	2.8
108.19685	0.1
109.02964	0.3
111.04516	0.6
113.02441	4.9
114.02766	0.1
115.03999	4.2
117.03441	0.1
119.03497	2.0
119.05000	0.1
121.02956	0.9
122.03311	0.2
125.02453	1.0
127.03970	0.4
131.03497	7.2
132.02171	0.2
133.02939	1.6
134.03754	2.0
135.04520	4.2
135.08150	0.1
136.04860	0.2
137.02434	1.6
139.03984	0.3
143.03488	7.7
144.03801	0.2
145.05066	1.2
151.03979	0.4
155.03529	0.6
159.04443	0.1
160.01651	0.3
161.02429	1.7
161.04527	0.5
162.03171	0.4
163.06088	2.7
165.01906	0.3
173.04521	4.5
173.06018	0.3
174.04834	0.2
177.01929	0.8
178.02693	1.5
179.03479	3.4
191.05582	4.8
192.05956	0.1
203.10724	0.4
205.07135	5.8
206.07477	0.1
217.03249	0.1
229.08795	0.2
231.06952	0.3
231.10213	0.6
231.57219	0.1
247.08211	0.3
257.08075	0.5
275.09222	3.4
276.09479	0.2
285.18549	2.2
286.18909	0.2
289.07037	0.2
301.03519	0.1
303.19626	1.0
334.06750	0.2
335.07690	0.7
351.07184	0.2
352.07730	0.3
353.08716	1.7
354.09122	0.1
385.13181	0.1
449.14502	5.0
450.14709	0.5
465.24930	0.9
470.11945	0.2
513.10248	0.2
514.10931	0.4
593.23737	0.2
611.30646	100.0
612.31012	13.3
612.41327	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.2734
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01360	2.0
61.98827	9.6
63.96214	1.0
69.03451	1.0
69.80018	0.8
69.80433	1.9
71.01380	6.2
73.02951	1.2
78.98588	4.1
79.95726	8.6
80.96508	52.4
85.02928	3.2
87.00874	2.7
93.03457	0.9
94.98080	11.3
96.96001	2.8
97.02915	1.4
98.19964	0.9
101.02433	2.5
106.98070	2.0
109.02938	0.7
113.02389	0.7
121.02930	0.6
122.97580	2.8
123.04564	0.6
125.02425	3.1
125.89799	0.5
127.03989	0.8
133.02916	2.1
134.03735	1.2
134.97595	4.7
135.04524	4.6
136.99115	1.4
137.02435	3.3
148.99135	5.4
152.98605	4.7
159.84677	0.5
161.02426	11.2
162.02777	0.6
164.98608	10.3
165.01892	1.6
171.02950	0.6
173.04526	1.8
179.00145	0.5
179.03445	2.2
191.05580	3.4
202.87813	0.4
206.99683	2.5
211.13307	0.7
225.00711	13.0
259.06360	0.6
275.09155	0.6
289.07132	0.6
293.21063	0.6
299.04297	2.9
311.22256	0.8
431.24402	0.7
449.14767	0.8
449.25479	7.5
450.25500	0.8
611.27332	100.0
612.27612	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	611.2739
Annotation	Unknow
Peak:m/z	Relative Intensity
57.31004	0.3
59.01365	2.3
61.98828	9.5
63.96222	0.9
66.94729	0.3
66.98686	0.3
69.03432	0.8
71.01380	7.5
72.99299	0.4
73.02942	1.4
78.87371	0.3
78.95885	0.4
78.98586	4.6
79.95728	9.0
80.96511	55.9
81.03447	1.0
83.01347	0.5
83.05027	0.4
85.02946	3.2
87.00879	2.4
89.02438	0.5
93.03456	1.2
94.70541	0.3
94.98080	12.3
96.96033	2.3
97.02943	1.4
99.00883	0.8
101.02449	2.7
106.98076	2.6
109.02918	0.5
113.02464	0.9
122.97565	2.6
123.04552	0.4
124.74739	0.3
125.02435	3.1
125.09659	0.4
127.04001	0.9
133.02910	0.7
134.03738	0.5
134.97569	4.0
135.04489	1.5
136.99164	1.7
137.02425	1.9
139.38046	0.3
148.99144	4.9
152.98604	5.4
152.99707	0.5
161.02454	1.3
161.04475	0.4
164.98608	10.6
165.01991	0.8
167.00261	0.5
173.04567	2.4
178.02762	0.5
179.03487	1.2
188.98633	0.6
191.05608	2.8
193.12428	0.3
197.11870	0.4
206.99635	2.2
211.13469	0.5
225.00714	15.8
231.10362	0.4
251.12866	0.6
275.09314	0.4
293.21255	0.4
299.04276	3.0
311.22296	0.4
333.21744	0.4
353.08624	0.5
363.14359	0.5
385.12805	0.4
411.68289	0.3
449.14597	0.8
491.48486	0.4
497.16544	0.4
515.13110	0.3
567.31451	0.5
577.25586	0.4
588.89862	0.3
611.27325	100.0
612.27655	11.0
626.58325	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.2732
Annotation	Unknow
Peak:m/z	Relative Intensity
54.40071	0.4
58.87556	0.5
61.98814	1.0
70.20519	0.8
70.20903	0.7
78.95898	5.9
79.95728	3.6
96.96002	100.0
96.96898	7.0
98.20509	0.5
123.40149	0.4
167.23587	0.3
173.04535	0.4
191.05499	0.4
218.93587	0.4
268.82535	0.4
275.48880	0.4
277.21747	1.1
351.06198	0.8
388.55444	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.2734
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00274	0.4
53.41751	0.4
58.90451	0.4
61.98823	0.6
71.01382	0.4
71.62657	0.3
78.60113	0.3
78.95907	4.2
79.95728	3.4
84.14645	0.3
84.20709	0.3
88.22494	0.3
94.57468	0.3
96.71110	0.3
96.96007	100.0
96.96899	6.3
133.02852	0.4
135.04562	0.7
161.02525	0.5
197.11810	0.4
197.70895	0.3
207.50008	0.4
210.75209	0.3
220.91060	0.3
241.25635	0.3
276.99426	0.3
277.21686	0.4
291.03818	0.4
340.81964	0.4
351.06070	0.6
384.06787	0.3
389.45740	0.4
611.37378	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.1983
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	2.1
58.00563	1.5
59.01376	33.6
60.99295	2.0
61.98827	10.1
67.01888	1.2
69.03448	2.8
69.11053	1.0
69.29255	9.9
71.01380	31.4
72.99287	1.3
73.02947	3.5
81.03439	1.6
83.01379	3.3
85.02946	16.4
86.03264	1.3
87.00871	7.5
88.98817	6.9
89.02439	24.5
93.03453	35.8
95.01405	2.2
96.95994	7.1
97.02941	2.6
98.19849	1.7
98.61571	0.9
99.00849	1.4
101.02446	15.3
101.06085	5.7
107.05053	2.0
109.02971	1.3
111.00861	1.2
111.04507	4.3
113.02457	13.8
114.02789	1.1
115.07661	1.3
118.93972	0.9
119.03513	9.9
119.04958	2.4
121.02938	16.6
122.03236	0.9
123.04527	2.1
125.02445	12.5
127.04031	2.0
131.03482	2.2
133.02924	5.0
134.03764	5.4
135.04520	42.5
136.04836	1.4
137.02431	31.2
138.02826	1.1
139.04015	1.2
143.03479	3.5
143.07062	1.4
146.03674	1.1
149.02371	1.6
149.04568	1.3
149.06042	1.2
150.03131	1.0
151.03970	2.5
155.03494	4.0
158.03732	1.0
159.04482	2.1
161.02443	12.1
161.04495	5.7
163.03973	2.2
167.03595	1.0
172.05290	2.3
173.04553	26.7
173.05969	2.4
177.01932	1.9
178.02696	3.0
179.03473	36.2
179.05547	6.4
180.03893	1.7
187.04024	1.7
187.07651	18.6
191.05608	100.0
192.05922	1.8
197.06082	3.1
200.04767	1.7
201.05588	3.2
202.06371	8.1
203.10860	2.0
204.86256	1.0
213.09196	5.8
215.07095	7.7
216.07538	1.0
221.06686	8.6
227.07114	15.6
229.08675	2.6
231.06563	3.8
231.10246	17.1
241.61508	1.0
257.08200	7.2
263.07651	3.3
275.09225	29.6
281.06604	2.7
281.40555	1.1
301.18048	2.2
302.18417	1.3
303.18304	1.2
323.09811	18.3
335.07605	3.4
353.08762	48.8
354.08948	1.8
390.31152	1.1
420.66675	1.1
431.13245	2.1
443.11990	12.3
449.08212	1.9
449.14490	38.0
450.14975	1.4
464.23718	1.9
506.33591	1.5
549.23279	2.3
565.29645	1.0
566.30133	6.6
567.30664	11.1
568.29840	1.4
589.48682	1.0
611.17657	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	611.1617
Annotation	Unknow
Peak:m/z	Relative Intensity
54.04783	1.1
57.03455	3.6
59.01371	3.3
67.01885	1.5
68.99834	1.6
69.03444	1.5
71.01388	4.5
71.61720	1.7
73.02927	2.4
81.03461	12.9
83.01371	9.7
83.05038	1.4
85.02953	4.5
87.00871	1.9
93.03465	11.1
94.05868	1.0
95.01386	3.4
95.05035	8.0
96.95995	3.9
96.96960	1.6
97.02935	8.7
99.04501	6.7
101.02455	1.8
102.05600	1.8
107.05035	1.4
109.02933	8.3
111.04508	6.7
113.02455	3.7
113.03568	2.9
114.01967	2.2
117.03423	3.2
119.05004	1.4
121.02946	5.7
121.06607	1.3
123.00927	1.5
123.04514	29.9
124.01674	1.3
125.01512	2.2
125.02433	38.6
128.03555	1.8
131.03673	1.3
131.04605	6.0
133.02963	1.9
135.04506	12.6
137.02412	14.2
137.06062	3.7
138.03212	1.4
139.04044	5.8
146.04590	5.3
147.04735	1.7
149.02417	5.1
151.03952	4.3
152.04694	1.4
153.05556	3.0
155.03502	2.4
161.02464	5.2
161.06029	1.3
163.03983	3.1
164.01123	1.4
165.01920	4.0
165.05562	4.7
166.02725	2.7
167.03485	47.3
173.04547	7.9
175.03966	3.8
177.01898	2.2
177.05493	1.4
179.03491	18.4
181.05072	2.8
187.03874	1.5
191.03534	4.3
191.05591	34.2
192.05899	2.3
193.05060	1.4
197.04526	13.1
209.04524	100.0
210.04947	3.4
217.05014	1.3
221.04608	5.6
223.06052	1.3
225.11462	1.1
235.02461	1.2
239.05574	73.3
240.05934	2.9
241.05087	2.4
242.05548	1.2
243.06667	1.8
243.12492	1.0
247.06398	1.7
251.05513	6.2
269.04459	1.7
269.06668	34.6
277.03348	2.5
281.06503	3.3
285.03973	6.8
293.06772	1.3
311.07745	7.3
312.07959	1.4
329.08740	17.8
341.08649	4.5
353.08875	3.0
359.09875	5.7
371.07675	50.5
372.07938	4.3
383.07617	3.1
401.08688	34.0
402.09198	2.2
431.09647	10.8
449.13037	6.7
473.10635	7.7
475.14700	3.2
491.11951	26.2
492.12222	2.8
503.12057	4.2
521.12769	5.7
533.13007	1.3
537.08630	1.3
593.14874	2.9
611.15894	20.2
611.26062	1.9
611.65704	1.3
612.16260	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	609.4129
Annotation	Unknow
Peak:m/z	Relative Intensity
50.79493	0.9
55.57791	1.0
61.98818	2.6
70.76210	2.4
78.04302	0.8
95.04407	2.2
95.05020	33.0
111.08144	0.9
149.05234	0.9
150.03040	1.1
174.32455	0.9
179.14438	1.2
191.05540	1.8
195.13902	9.4
223.13358	7.4
246.12335	12.6
249.22069	1.1
256.13089	1.2
275.20169	4.0
278.11316	61.8
279.11438	1.6
293.21198	100.0
294.21509	5.5
315.19351	32.7
316.19620	1.3
319.81665	1.0
339.36346	0.8
408.60825	1.1
539.32214	0.9
572.32068	4.2
609.41541	19.2
610.41364	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	609.5094
Annotation	Unknow
Peak:m/z	Relative Intensity
55.58764	0.5
69.78163	2.7
98.20607	0.8
110.07327	0.6
144.01120	0.5
150.69437	0.5
163.53110	0.4
173.99844	0.5
175.08408	0.4
255.23183	0.6
279.23264	100.0
280.23642	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	611.1401
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03474	0.7
59.01437	3.4
60.99345	0.9
61.98886	4.0
62.89362	0.5
66.11832	0.4
67.01921	0.9
68.99876	0.6
71.01443	3.1
71.62344	0.8
72.99403	0.6
73.03008	1.0
81.03510	0.8
83.05076	1.1
84.32150	0.5
85.02953	4.1
86.90234	0.4
87.00941	2.0
88.98800	3.8
89.02490	1.4
93.03449	10.1
95.01395	0.5
96.96008	6.4
98.95632	1.1
99.49240	0.5
109.03020	2.0
111.00945	0.6
111.04519	3.5
117.03476	0.6
121.03001	0.7
123.04580	0.7
125.02429	2.8
127.04071	1.2
131.05034	0.5
133.02971	4.3
134.03789	2.1
135.00935	0.5
135.04515	25.0
136.04871	1.2
137.02454	3.6
137.03317	0.4
138.05669	1.3
139.05991	0.8
147.04544	0.7
149.02496	1.2
149.06209	0.5
151.04041	1.2
155.03499	4.9
158.03761	1.5
159.04520	2.4
161.02441	11.9
163.04002	0.8
164.04869	1.2
165.05641	0.5
171.03027	0.5
172.05330	0.8
173.04549	28.5
173.05997	2.3
174.03288	1.1
174.04764	0.5
175.00333	0.6
175.04039	1.1
177.01910	1.0
179.03477	24.2
183.04506	2.7
185.02423	0.9
187.04065	1.6
187.07625	10.2
188.07977	0.7
189.01981	0.7
190.02724	1.9
191.05592	48.4
192.06013	1.6
197.06235	0.6
199.04028	1.5
200.04793	0.6
201.05571	1.6
202.06322	2.3
203.03616	0.9
203.10861	1.7
205.05081	1.1
211.03960	3.8
213.09148	5.5
215.07190	3.7
216.07899	0.7
223.06181	0.6
226.02898	0.6
227.03484	8.5
228.04115	0.7
229.01457	0.7
229.08781	0.7
231.06667	0.9
231.10229	11.1
233.06737	1.1
237.02020	0.8
238.02719	1.6
239.03450	1.6
239.06825	2.8
239.56819	0.9
240.06548	0.8
241.04971	0.6
254.02277	1.5
255.02953	10.0
256.03378	0.9
257.08154	6.3
258.01675	1.4
259.02505	2.4
266.02158	0.9
267.02994	1.6
268.03802	0.9
269.04495	1.3
271.02368	3.5
272.03131	3.1
273.03714	0.8
275.09225	12.9
276.09579	0.9
281.04468	0.9
282.01587	0.6
283.02454	100.0
284.02838	6.4
285.04025	1.9
289.07175	0.7
296.03217	1.2
297.03998	1.9
301.03418	1.6
311.01831	1.0
313.03653	0.8
324.02313	0.6
325.03479	6.4
335.07727	4.8
337.09052	0.6
353.08737	26.1
354.09067	1.6
403.06644	16.5
404.07047	0.7
413.11996	1.2
417.05850	1.1
431.13614	2.3
447.10834	6.4
448.10397	0.7
449.14551	18.4
450.14401	1.7
463.09903	1.2
468.04550	0.5
491.09818	7.1
492.10263	0.8
549.13367	0.8
549.21918	0.5
567.15167	9.4
568.14856	1.3
593.12756	1.0
601.73804	0.5
611.13751	32.5
611.26312	2.9
612.14105	4.1
612.26282	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.349
Annotation	Unknow
Peak:m/z	Relative Intensity
55.00642	0.7
57.03432	2.8
59.01376	65.4
61.98816	2.8
64.65137	0.7
69.03438	1.0
69.44791	1.9
69.45192	4.3
71.00994	1.4
71.01378	23.4
71.04991	0.8
72.99296	1.5
73.02941	5.5
79.95654	0.7
83.01381	2.1
85.02956	13.1
86.00066	0.9
87.00863	2.1
88.98785	1.2
89.02448	5.8
93.03443	3.3
95.01387	3.1
96.96011	5.5
97.82576	0.7
99.00884	1.8
101.02431	10.2
109.02952	0.9
111.00879	1.0
112.01654	0.9
113.02436	15.8
119.03443	1.8
124.01600	1.4
125.02411	2.2
128.03511	1.0
133.02934	1.3
134.03763	1.0
135.04501	2.9
137.02403	1.1
143.03499	1.6
146.04533	1.2
149.02376	2.1
149.04677	0.7
151.03983	3.8
161.02422	3.9
161.04517	2.3
164.04784	1.8
171.10199	0.8
173.04517	3.1
177.01950	1.2
179.03430	2.0
189.01796	1.1
191.05594	15.5
192.05841	0.9
211.13382	1.0
216.00537	1.2
223.06155	2.6
241.05034	1.7
278.72803	0.8
343.28610	0.8
353.08673	1.2
359.28021	1.7
361.29501	7.1
373.10742	1.2
419.11270	2.8
427.12448	1.6
495.56873	0.7
505.33780	100.0
506.34265	10.5
523.34766	24.0
524.35236	1.4
525.70911	0.8
529.14868	0.8
565.35809	14.3
566.36060	1.3
573.21796	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.3483
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01885	1.5
57.03438	2.9
59.01376	83.0
61.98824	4.2
69.03434	1.4
70.40067	1.4
71.01381	35.0
71.62096	1.4
72.99308	2.6
73.02945	7.3
78.95908	1.4
79.95728	5.0
80.51950	1.2
83.01395	3.9
85.02944	16.5
87.00885	4.6
88.98814	1.8
89.02449	9.4
93.03444	7.3
95.01394	5.0
96.96008	54.5
97.02919	2.0
99.00889	4.1
101.02447	15.1
102.02721	1.2
108.02178	1.5
109.02946	3.7
111.04527	2.0
113.02452	16.3
119.03503	2.4
122.02489	6.0
123.04554	2.6
125.02443	4.4
127.04037	1.5
133.02927	3.9
135.04507	9.5
137.02417	5.5
138.01962	2.4
143.03485	3.0
149.02408	6.4
151.04005	7.7
155.03482	2.1
161.02437	9.6
161.04561	4.8
163.03955	2.1
164.04799	6.1
167.03465	1.5
173.04572	11.2
177.01932	3.1
179.03450	4.6
189.01901	3.1
190.02750	2.7
191.03976	1.0
191.05594	29.4
192.05975	2.0
201.14830	1.7
205.05023	2.5
211.13382	6.3
217.01364	3.1
223.06116	10.0
229.01405	1.9
229.08731	2.7
231.06958	4.5
235.28558	1.2
238.51219	1.4
239.06728	20.3
239.56874	3.0
240.06436	1.8
255.06505	1.5
258.01538	1.4
293.44574	1.3
301.03616	2.3
301.09366	1.7
323.01886	1.5
335.07584	1.5
341.06473	8.2
353.08685	2.3
361.29547	5.7
365.17981	3.0
381.17322	3.8
382.17621	1.9
397.13370	3.6
399.18512	16.8
400.18631	3.6
447.13113	1.5
505.33813	100.0
506.34439	8.7
523.27527	1.9
523.34839	23.3
524.35132	2.7
549.29120	24.9
550.29822	1.6
565.35919	8.8
573.22101	4.8
609.14026	2.7
609.23529	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.3126
Annotation	Unknow
Peak:m/z	Relative Intensity
53.66953	0.8
55.01873	0.9
57.03446	1.5
59.01376	16.8
60.99302	1.7
61.84003	0.7
61.98814	2.8
65.63612	0.8
69.03448	1.3
71.01379	24.9
72.99313	1.2
73.02937	9.3
74.56744	1.0
74.57217	0.8
75.00864	0.9
78.95908	0.8
79.95743	1.3
81.03442	0.8
83.01375	3.0
85.02949	12.7
87.00849	2.1
88.98798	12.4
89.02441	9.8
93.03448	4.7
95.01374	2.3
96.96007	38.4
97.02930	1.6
98.19891	1.7
99.00899	4.7
101.02439	17.3
105.01923	2.6
109.02945	2.0
111.00886	1.1
111.04510	1.3
113.02454	13.4
119.03471	1.2
121.02924	1.3
122.75669	0.7
123.04493	2.3
125.02429	3.5
129.01923	1.4
131.03470	1.2
133.02936	2.5
134.03749	0.9
135.04541	7.4
137.02432	3.5
143.03542	1.7
150.03090	0.9
151.03993	2.7
153.02002	1.7
159.03008	1.8
161.02446	5.9
161.04539	9.6
167.03426	0.9
173.04533	3.8
179.03537	4.8
179.15431	0.8
191.05585	17.6
192.05972	1.0
208.91663	0.9
271.02393	0.8
300.02716	1.7
301.03171	1.1
339.04965	0.8
352.69608	0.9
353.08353	0.9
417.25043	5.0
435.10849	1.0
505.34015	2.1
549.29126	100.0
550.29492	10.8
609.14368	2.0
609.28497	1.7
610.15424	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.2584
Annotation	Unknow
Peak:m/z	Relative Intensity
54.05252	0.6
55.92134	0.6
58.51780	0.6
59.01373	5.7
61.98825	42.2
63.96232	0.7
69.03429	0.7
69.42094	5.7
71.01376	6.6
73.02930	1.8
78.95885	1.9
78.98590	3.8
79.95733	11.4
80.96511	54.3
81.03399	0.9
83.01381	1.0
85.02930	4.8
87.00861	2.8
89.02420	1.2
93.03449	1.7
94.98081	12.7
96.96000	4.4
97.02930	1.6
99.00848	1.0
101.02425	3.0
106.98083	2.5
109.02956	1.2
113.02446	1.6
121.02937	1.1
122.97576	2.6
123.04484	0.8
125.02437	3.9
127.03960	1.0
132.99858	0.7
133.02928	2.4
133.92181	0.6
134.97614	3.3
135.04596	1.4
136.99098	0.7
137.02394	1.9
140.70361	0.6
148.99129	4.9
149.02550	0.9
150.03233	1.0
150.99474	0.6
152.98615	4.5
161.02431	3.1
164.98630	10.2
165.01929	1.7
171.10207	0.7
173.04539	1.8
177.01903	1.5
179.03517	1.5
189.01843	1.1
191.05630	6.8
197.11737	2.5
206.99698	2.3
208.61176	0.6
211.13362	1.8
217.01447	1.7
225.00702	14.7
299.04309	2.0
311.22345	4.1
327.04761	1.3
449.08804	0.7
451.71884	0.7
535.95239	0.7
536.29950	8.4
547.15826	1.0
609.25739	100.0
610.25793	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	609.258
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	3.2
61.98827	37.6
63.96223	1.4
65.66220	0.6
66.14787	0.5
69.03452	1.4
71.01382	8.3
71.62395	0.7
73.02950	1.4
77.74323	0.5
78.95927	0.5
78.98589	5.7
79.95733	10.3
80.96513	56.4
83.01369	0.7
85.02962	3.6
87.00891	2.7
93.03446	1.4
94.98081	13.1
95.05009	0.6
96.95998	2.6
97.02926	1.5
99.00906	0.7
100.68755	0.6
101.02430	3.2
106.98089	2.3
109.02958	0.7
113.02431	1.2
121.02949	4.3
122.97563	3.3
125.02451	4.3
133.02939	1.8
134.97562	3.8
135.04517	2.5
136.99144	1.3
137.02448	1.5
140.79256	0.6
148.99112	5.6
149.02475	0.6
152.98598	5.3
161.02443	3.1
164.98610	10.8
165.01901	0.8
167.03487	1.6
173.04520	2.1
179.03494	1.7
189.01889	1.0
191.05576	4.4
197.11794	1.3
206.99684	1.7
211.13275	0.8
217.01404	1.1
224.98596	1.2
225.00729	16.2
231.06891	0.8
243.01793	0.6
299.04391	3.1
314.40601	0.6
326.04312	0.6
373.20142	0.8
608.73828	0.8
609.25769	100.0
610.26093	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	609.2581
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	0.7
59.01363	2.1
60.99282	0.6
61.98825	18.1
63.96228	1.5
67.20994	0.5
69.03465	0.5
69.64855	2.8
71.01376	6.6
73.02946	1.1
78.95892	1.1
78.98595	5.2
79.95737	12.8
80.96511	61.5
83.01408	0.6
85.02947	3.0
87.00866	2.4
88.98804	2.2
93.03433	0.8
94.98081	12.5
96.95998	2.4
97.02935	2.2
100.99338	0.5
101.02425	2.5
103.32255	0.5
106.98097	2.4
113.09711	0.7
122.97569	3.0
125.02419	2.5
134.89838	0.6
134.97539	4.1
135.56273	0.6
136.99091	1.2
146.97548	0.6
148.99115	5.2
151.69888	0.7
152.98564	4.2
152.99593	0.7
164.98616	11.8
171.72313	0.6
191.05533	1.5
206.99603	2.0
218.89073	0.5
223.13432	0.7
224.98648	1.0
225.00729	14.4
293.21182	3.6
299.04340	2.1
299.29950	0.6
468.99719	0.6
469.29666	0.6
517.31610	1.2
523.18500	7.4
575.69861	0.5
591.24475	0.8
609.25818	100.0
610.26093	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	609.2548
Annotation	Unknow
Peak:m/z	Relative Intensity
51.54944	0.2
54.59625	0.3
57.03414	0.3
59.01142	0.3
59.01376	3.6
60.99969	0.3
61.98831	3.4
67.01874	0.8
69.03441	0.4
70.52582	0.9
71.01374	2.8
72.99270	0.3
73.02951	0.6
81.03459	0.4
82.95477	0.3
83.01381	0.3
83.05010	0.6
83.27912	0.2
85.02943	11.6
87.00875	3.1
89.02426	0.8
93.03450	5.4
95.01359	0.4
96.95998	0.9
99.04488	0.4
101.02414	0.7
101.06073	0.7
109.02930	1.6
109.58746	0.3
111.04479	1.4
113.02408	1.3
115.07637	0.3
123.04513	1.0
124.24012	0.3
125.02436	0.6
127.04007	3.1
133.02953	1.3
135.04550	0.9
137.02412	0.8
147.04442	0.3
151.04007	0.7
155.03494	0.6
161.02406	3.3
171.02966	0.9
173.04523	3.3
176.04639	0.3
177.01924	1.0
179.03529	0.7
181.05054	3.0
183.04463	0.3
189.01926	1.0
191.05591	100.0
192.05939	2.8
196.05296	0.9
197.06088	0.4
203.07190	0.3
209.06174	0.5
210.03209	2.9
210.06870	0.3
211.03983	1.3
212.04555	0.4
216.00688	0.4
217.01385	0.9
224.04736	1.0
231.02959	0.5
234.06902	0.4
235.07756	0.3
237.05432	0.5
242.05864	0.6
248.08452	0.3
258.01682	0.5
273.12808	0.6
274.08240	0.4
291.13855	1.2
292.14099	0.3
301.03580	0.4
301.18134	0.3
309.14920	2.0
311.12827	0.2
327.15973	0.8
335.13000	1.3
341.06555	2.5
341.17627	0.8
353.13895	27.6
354.14130	1.9
373.20160	1.0
385.16513	10.9
386.16879	0.9
411.13040	0.7
417.19128	17.3
418.19446	1.5
419.11130	0.3
463.23834	0.3
505.33429	0.5
547.15991	1.0
565.30231	2.7
566.30664	0.3
577.22821	4.9
578.23145	0.8
609.29321	4.1
610.29510	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.146
Annotation	Unknow
Peak:m/z	Relative Intensity
56.85392	1.0
59.01389	4.0
61.98823	4.0
65.00337	1.0
69.31843	2.7
69.32269	5.4
71.01380	4.5
72.99294	3.0
73.02917	1.1
85.02942	1.9
87.00849	1.6
88.98792	2.2
89.02422	2.9
91.01852	0.8
93.03449	3.8
96.96005	10.4
98.95566	1.4
99.00858	1.3
101.02428	1.9
106.16098	0.9
106.41946	0.8
107.04982	0.9
108.02138	4.4
109.02945	66.4
110.03288	1.7
113.02464	2.0
121.02914	2.7
123.04528	2.0
125.02401	3.3
133.02957	5.1
134.03737	4.0
135.04520	62.0
136.04782	1.8
137.02432	2.4
139.04005	1.7
139.95924	0.8
149.02486	1.4
149.06003	1.3
151.00328	2.3
151.03999	1.1
151.77235	0.8
152.01147	3.8
153.01926	74.4
154.02292	1.5
159.04453	1.4
161.02429	16.3
165.05495	1.2
165.15179	0.9
167.03484	1.0
173.04494	2.5
175.03961	1.1
177.05492	1.4
178.02660	1.1
178.99989	2.1
179.03484	50.7
180.03827	1.9
191.05594	14.0
192.05852	1.0
196.00111	0.8
209.11821	5.4
210.12138	4.4
211.12299	1.0
225.03909	1.4
227.03406	1.1
243.02902	2.8
253.07141	1.0
255.02956	5.6
255.05299	0.8
271.02466	12.6
283.02484	1.0
300.02725	20.1
301.03467	7.7
341.08670	2.4
383.09723	1.8
397.13226	1.5
398.13824	2.0
399.13980	1.3
416.14740	1.5
429.10110	2.5
435.10483	0.9
447.11310	1.1
455.11624	4.9
473.12955	22.4
474.13522	1.6
485.13123	1.8
519.14722	1.4
609.14526	100.0
610.07001	1.0
610.14954	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	609.1457
Annotation	Unknow
Peak:m/z	Relative Intensity
56.80857	0.3
62.92162	0.3
63.02400	0.8
65.00310	1.0
69.50609	2.2
71.34048	0.3
74.83909	0.3
75.82246	0.3
80.13757	0.3
83.01395	0.8
88.98811	0.4
93.03479	0.4
96.96016	0.7
103.59708	0.5
107.01388	2.6
108.02193	1.7
109.02964	2.0
121.02971	2.0
125.02397	0.3
135.00862	1.0
135.04503	0.5
137.02429	0.3
148.01669	1.8
149.02448	0.4
151.00365	12.3
152.00717	0.4
153.01912	0.7
159.04494	0.4
161.02449	0.8
163.00368	2.2
164.01163	0.7
169.01424	0.6
175.04025	0.4
178.99837	5.8
179.03540	0.4
183.04491	0.5
187.03885	0.7
191.05606	0.6
192.00447	0.4
199.03966	1.1
201.05681	0.3
203.03505	0.4
211.03975	0.9
215.03500	0.7
216.04044	0.5
226.02696	1.7
227.03447	2.6
229.05013	0.6
239.03534	0.3
243.02968	9.7
244.03540	0.7
245.04495	1.3
254.02200	1.4
255.02962	25.2
256.03424	2.0
268.56628	0.3
271.02451	51.0
272.02917	4.4
273.03928	0.9
283.02365	1.6
299.01877	1.4
300.02728	93.9
301.03452	34.9
302.03882	1.5
343.04382	0.6
399.18240	0.4
549.29529	0.6
609.14539	100.0
610.14850	10.8
615.94202	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.1459
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23782	0.4
59.01377	2.6
60.99307	4.3
65.74309	0.4
69.45769	0.9
69.46146	3.7
71.01383	7.7
72.98095	0.6
73.02943	2.1
76.43085	0.5
80.72045	0.5
81.03442	0.5
83.01382	0.8
85.02952	4.5
87.00872	1.3
88.98803	24.0
89.02441	2.5
92.28586	0.5
93.03466	1.6
95.01382	1.2
95.79874	0.4
96.95998	3.1
97.02954	0.5
99.00840	2.6
101.02439	3.4
108.02168	41.3
109.02319	0.9
109.02966	14.2
111.04521	0.6
113.02460	3.0
115.00368	0.5
121.02958	0.9
123.00862	0.7
123.04544	1.5
125.02463	1.4
133.02959	5.2
134.03719	2.2
135.04521	21.1
136.04843	0.6
137.02403	1.0
151.03992	3.7
152.01143	93.0
153.01936	6.1
161.02426	11.5
161.04463	2.7
163.04007	5.6
165.05591	0.7
173.04485	1.0
174.82065	0.5
177.01900	1.6
179.03473	7.9
183.80405	0.5
183.95348	0.5
191.05565	8.0
192.05867	0.7
199.04112	0.6
207.03038	1.1
217.75183	0.5
219.03004	0.7
252.04178	0.6
271.08167	1.6
289.07132	0.7
315.07217	2.0
361.16730	0.9
388.93457	0.6
429.10361	2.2
447.11401	63.2
448.11710	4.3
517.06238	0.5
519.24127	0.9
549.29126	1.2
565.15845	0.8
609.14557	100.0
610.14954	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	608.2918
Annotation	Unknow
Peak:m/z	Relative Intensity
58.10778	0.2
59.01368	0.5
61.98825	100.0
71.01404	0.3
80.96517	0.4
83.05014	0.2
85.02959	0.2
93.03445	0.4
96.96019	0.6
109.02962	0.3
121.02953	0.2
125.02459	0.5
136.22096	0.2
137.02414	1.0
148.99370	0.2
150.03244	0.6
161.02499	0.4
165.01933	1.0
170.07324	0.2
173.04576	0.4
179.03540	0.4
191.05583	1.1
207.39626	0.2
208.53932	0.2
259.06235	0.3
287.05630	0.3
567.81317	0.2
608.24371	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	608.2918
Annotation	Unknow
Peak:m/z	Relative Intensity
58.10778	0.2
59.01368	0.5
61.98825	100.0
71.01404	0.3
80.96517	0.4
83.05014	0.2
85.02959	0.2
93.03445	0.4
96.96019	0.6
109.02962	0.3
121.02953	0.2
125.02459	0.5
136.22096	0.2
137.02414	1.0
148.99370	0.2
150.03244	0.6
161.02499	0.4
165.01933	1.0
170.07324	0.2
173.04576	0.4
179.03540	0.4
191.05583	1.1
207.39626	0.2
208.53932	0.2
259.06235	0.3
287.05630	0.3
567.81317	0.2
608.24371	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.3335
Annotation	Unknow
Peak:m/z	Relative Intensity
50.85251	0.5
51.89230	0.5
55.01872	0.7
57.03436	1.0
59.01377	64.9
60.01711	1.4
61.98824	9.8
69.03426	0.5
71.01381	8.5
71.62992	0.6
73.02940	2.4
78.95929	0.6
79.95746	1.4
80.96516	0.9
83.01396	1.6
85.02956	4.5
87.00875	1.0
88.98804	0.8
89.02432	1.4
93.03459	1.4
95.01371	1.0
96.96004	8.4
99.00883	2.3
101.02444	5.2
109.02990	1.2
111.00854	0.8
113.02435	3.6
119.03497	0.7
121.02949	100.0
122.03292	2.0
122.68344	0.5
123.04450	0.7
125.02427	1.7
132.20305	0.5
135.04500	2.1
135.11826	2.8
137.02460	1.1
143.03500	0.5
145.08134	0.5
151.03958	0.9
159.02962	1.0
161.02428	1.2
161.04579	1.5
165.01889	0.6
173.04565	1.2
179.03560	1.2
179.10764	23.4
180.11151	0.9
191.05623	3.8
197.11795	0.6
223.09790	3.9
231.06911	9.4
231.57059	1.6
361.03104	0.6
365.17938	4.0
383.18991	0.6
401.14407	1.1
426.95657	0.6
461.31195	0.9
463.14609	1.9
485.30984	0.7
487.32602	4.5
503.33405	2.3
505.33594	1.0
521.33484	1.9
547.34595	0.6
563.34290	69.3
564.34753	7.2
607.23834	13.5
607.33124	1.0
608.24597	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	607.3332
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	0.9
59.01376	18.5
68.55881	0.3
71.01380	9.9
72.99312	0.4
73.02945	2.8
83.01369	0.9
85.02950	5.3
86.00073	0.4
87.00900	0.8
89.02436	2.7
91.05531	0.5
93.03461	1.3
95.01404	1.0
96.95973	0.4
97.02891	0.6
97.06642	0.4
98.67149	0.3
99.00872	0.9
101.02438	5.5
111.00889	0.5
113.02446	6.1
119.01402	1.2
119.03512	0.7
119.04978	0.4
121.02940	7.8
121.10239	0.6
122.03336	0.4
125.02441	0.6
127.11269	0.4
132.02153	0.8
135.04521	1.8
137.02457	1.0
147.00897	0.8
147.04521	3.4
149.02428	52.6
150.02774	1.5
157.12288	0.5
161.02441	0.5
161.04514	1.5
163.03969	0.8
164.04776	46.9
165.05077	2.0
173.04587	0.4
175.00348	4.5
179.07121	5.9
187.13326	0.6
190.02696	11.4
191.02849	0.5
191.05588	0.9
201.14894	1.5
205.05049	10.3
205.06976	0.5
208.03764	0.6
223.06088	100.0
224.06409	4.4
229.66328	0.5
269.10242	0.6
310.79532	0.4
324.29330	0.4
359.27921	0.9
363.20242	0.4
389.09109	0.3
399.62723	0.4
401.14728	0.8
405.47357	0.4
473.30725	0.5
503.32236	32.7
504.32516	3.5
521.33203	6.1
522.33710	0.7
563.34174	1.4
607.20178	6.1
607.29419	0.4
608.21191	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.3331
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	0.6
55.36217	0.4
57.03442	0.7
59.01376	75.5
60.01709	0.6
61.98821	6.7
69.55862	2.0
69.56265	0.9
71.01383	8.1
72.99320	0.5
73.02940	3.7
79.95748	0.6
80.96514	2.3
81.03453	0.7
83.01395	1.3
85.02962	3.7
87.00875	0.7
89.02454	1.0
93.03451	1.2
95.01416	0.7
96.96024	3.4
99.00888	1.5
101.02435	4.6
101.06098	1.1
109.02932	0.7
113.02443	4.2
123.04571	1.0
125.02442	1.9
128.03606	0.6
135.04485	1.1
137.02444	1.0
151.04018	0.5
155.03487	0.5
161.02446	1.5
161.04570	1.4
165.42865	0.5
173.04578	0.9
179.03461	0.7
191.05600	3.0
225.00861	0.9
231.06967	3.8
247.14615	0.4
255.06664	0.9
299.26038	0.7
301.03400	0.5
319.19180	0.5
365.18073	0.5
443.30240	1.3
461.31207	1.0
487.32690	0.8
521.33398	1.3
563.34308	100.0
564.34576	12.6
607.24457	4.2
607.34509	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.3332
Annotation	Unknow
Peak:m/z	Relative Intensity
51.66088	1.3
51.83683	1.5
52.80204	1.4
54.28731	1.3
57.03439	3.0
59.01377	74.9
61.98819	1.6
70.57751	5.7
71.01379	23.5
73.02927	6.1
82.57160	1.2
83.01373	2.4
83.35458	1.3
85.02943	10.6
89.02438	5.9
93.03468	2.1
95.01358	2.6
96.30694	1.4
96.95972	1.4
99.00893	2.3
101.02444	11.7
107.04971	1.3
108.83282	1.4
113.02433	14.4
122.02467	7.5
125.02437	2.5
125.94656	1.4
133.02919	4.6
134.03717	1.9
135.04539	21.8
138.35770	1.4
152.03479	1.4
161.02435	11.7
161.04578	2.4
165.01848	1.6
179.03476	13.5
191.05533	3.8
196.15448	1.8
201.14977	2.5
353.08499	2.0
359.27994	9.4
375.58871	1.4
380.78339	1.6
455.11926	14.4
503.32220	100.0
504.32275	9.4
521.26923	1.1
521.33234	31.6
522.33508	3.2
545.32947	2.4
563.34064	9.1
607.26135	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	607.2427
Annotation	Unknow
Peak:m/z	Relative Intensity
57.22464	0.6
59.01381	4.4
61.98829	13.4
63.96233	1.0
71.01376	7.4
71.16673	0.6
73.02925	1.6
78.98579	5.0
79.50825	0.6
79.95725	13.4
80.96510	55.2
81.03447	1.2
83.01356	0.8
85.02944	2.7
87.00860	2.2
89.02442	0.8
93.03470	1.3
93.60718	0.6
94.54934	0.7
94.98082	12.4
96.95997	3.3
97.02951	1.7
98.38216	0.6
101.02441	3.0
106.98074	2.4
110.45863	0.6
112.65996	0.6
113.02433	0.8
122.28336	0.6
122.97578	3.6
125.02435	3.0
127.04018	1.4
134.97552	2.8
137.02367	0.9
148.99149	4.8
152.98643	6.2
161.02466	0.9
164.98599	9.3
173.04466	1.0
181.12575	0.7
182.99625	1.4
191.05595	2.5
206.99622	2.3
209.11876	0.9
211.13329	1.2
217.01263	0.9
225.00731	14.2
243.01801	1.6
253.09221	2.4
293.21085	1.1
299.04404	2.4
311.22281	7.2
323.46307	0.7
607.24213	100.0
608.24512	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	607.242
Annotation	Tiliasine
Peak:m/z	Relative Intensity
52.63474	0.6
59.01379	5.3
61.98827	51.7
62.14341	0.6
62.23615	0.6
63.96219	1.2
69.03432	0.6
71.01374	8.3
73.02931	2.0
78.95893	0.8
78.98590	4.6
79.95731	13.5
80.68023	0.6
80.96511	55.1
83.01385	1.2
83.61456	0.7
85.02953	3.5
87.00868	2.2
94.98082	12.7
96.95996	1.9
97.02940	1.3
98.19848	1.4
101.02428	2.5
106.98083	2.2
108.02166	4.6
109.02938	1.1
115.23389	0.7
122.92085	0.6
122.97545	2.3
125.02433	3.4
134.97559	3.9
135.04582	0.7
136.99098	1.6
148.99118	4.4
152.01195	3.3
152.98593	4.8
153.01909	1.8
156.66417	0.7
163.11401	0.8
164.98611	10.0
173.04504	0.9
182.01866	0.7
191.05515	1.7
205.01584	0.7
206.99602	2.7
209.11736	2.2
225.00725	13.6
253.09241	1.4
291.19592	1.8
299.04370	2.4
299.07669	7.6
309.20679	1.6
311.22244	2.6
371.06281	1.0
389.22968	1.0
427.12976	1.1
534.28229	2.9
548.29706	1.1
607.24188	100.0
608.24396	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	607.2024
Annotation	Unknow
Peak:m/z	Relative Intensity
52.41645	2.0
59.01379	58.7
61.98825	8.1
71.01375	30.5
73.02943	31.6
79.95741	3.1
82.95443	3.9
83.01391	9.5
85.02937	10.0
85.13438	2.2
89.02449	9.3
93.03456	8.0
96.96008	36.6
98.19782	2.8
98.95577	2.6
99.00851	3.3
101.02442	27.6
109.02928	7.1
113.02437	14.1
117.03461	3.7
119.03475	2.5
123.04504	2.9
125.02438	7.0
131.03421	3.9
132.02156	3.5
132.50664	2.5
133.02945	6.2
134.03731	38.8
135.04549	12.8
137.02438	100.0
138.02745	3.3
138.53564	2.3
149.04541	2.5
151.03998	12.3
153.01941	3.3
160.01648	4.6
161.02452	15.7
161.04503	5.8
162.95688	2.3
163.04080	2.2
165.05537	4.2
167.03467	6.1
173.04533	7.2
175.03946	11.5
178.02750	3.4
179.03493	6.5
187.04042	3.2
191.05603	34.4
192.05843	3.6
192.99599	7.1
193.05034	41.8
231.06964	14.0
231.57095	4.8
232.07169	4.4
239.06705	6.8
258.99829	2.8
270.12659	2.4
283.09738	18.6
289.07135	3.6
311.09265	30.5
312.09570	3.1
325.10748	6.6
326.11566	26.9
341.10165	3.9
341.13928	43.9
342.14218	3.8
342.55618	2.4
343.15494	4.3
344.72528	2.1
365.17825	21.8
366.18213	5.7
383.18857	7.7
385.12714	2.4
399.18124	5.8
445.13504	4.5
463.14551	2.5
503.32300	15.1
547.27771	4.3
607.15637	19.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.1664
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01091	0.4
59.01378	7.0
61.98819	0.3
65.03955	0.3
71.01379	5.0
72.99299	0.4
73.02946	1.1
73.62131	0.2
75.00871	0.3
81.03432	0.3
82.95410	0.7
83.01388	0.6
85.02942	1.4
87.00866	0.4
89.02431	2.8
89.03979	0.5
91.01894	1.9
91.05518	0.8
93.03456	3.1
95.01369	0.6
96.96012	0.6
97.02940	0.9
97.06597	0.4
99.00883	0.9
101.02457	1.4
105.03484	0.4
106.04221	0.5
107.05021	2.8
108.02148	0.3
109.02945	0.4
111.00903	0.3
113.02455	1.6
115.03967	0.3
117.03441	1.7
119.01384	0.8
119.04950	0.2
121.02953	2.4
123.04517	0.7
124.68652	0.2
125.02431	1.4
125.17104	0.2
132.02161	1.3
133.01878	0.5
133.02953	21.1
134.03751	9.2
135.04520	100.0
136.04843	3.0
137.02414	4.1
143.03468	0.4
149.06062	0.6
151.03999	14.5
152.04338	0.3
159.04570	0.5
160.01677	1.0
161.02437	49.4
162.02766	1.6
173.04510	0.3
175.04036	1.3
175.05347	0.2
177.01918	0.5
177.05605	0.8
178.02708	1.4
179.03484	60.5
180.03821	2.1
180.76393	0.3
191.04070	0.2
191.05620	1.3
193.05049	1.0
203.03491	0.7
207.31622	0.3
209.11722	0.3
221.04533	4.7
233.06516	0.4
239.06523	0.3
251.05595	2.0
293.06573	1.7
311.07712	2.1
343.15463	0.5
353.08731	14.6
354.09131	1.0
383.09799	0.6
383.14630	0.3
395.09836	3.3
397.13574	0.3
437.10803	0.5
444.86972	0.2
455.11914	75.8
456.12268	6.2
503.32181	5.2
504.32886	0.3
521.33221	1.4
563.34302	0.7
575.13879	1.1
594.33167	0.3
607.16132	6.0
608.16943	0.7
609.52606	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.3175
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	0.7
56.55500	0.6
57.03434	0.6
59.01377	87.3
61.98835	0.9
64.35117	0.5
68.99568	0.7
69.79972	3.2
71.01378	7.5
73.02943	3.3
83.01400	1.6
85.02950	4.8
89.02436	1.1
95.01424	0.6
96.96035	0.8
99.00871	0.7
101.02444	5.1
112.98608	1.2
113.02444	3.4
135.04564	0.9
156.61664	0.6
161.04562	1.7
167.32489	0.7
191.05661	0.5
224.37386	0.6
281.00522	0.7
373.44919	0.6
441.28644	1.6
459.29813	0.6
468.74438	0.6
519.31836	1.3
561.32770	100.0
562.33118	11.0
583.01257	0.7
605.31860	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	606.2763
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	0.5
61.98827	100.0
71.01389	0.3
78.95904	0.2
84.93256	0.2
96.96027	0.3
101.02453	0.2
126.08489	0.2
163.04080	0.2
191.05672	0.3
331.92297	0.2
380.52493	0.2
384.63196	0.2
423.22308	0.2
606.31927	0.4
607.27063	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.3177
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	0.9
56.92090	0.6
57.03440	2.6
58.00589	0.9
59.01376	61.4
61.98817	1.5
62.64093	0.5
69.03444	1.1
69.63631	3.6
71.01377	22.3
72.01702	0.7
72.99281	1.4
73.02935	5.8
75.00861	0.7
82.08346	0.7
83.01393	3.1
85.02943	11.2
86.00115	0.6
87.00906	1.5
89.02431	6.3
93.03448	0.9
95.01363	1.9
95.01947	0.6
96.95994	3.4
97.02917	0.9
97.06567	1.0
98.20603	1.4
99.00871	2.7
99.66449	0.7
101.02435	13.3
103.75259	0.6
111.00880	1.4
112.01665	0.7
113.02448	14.6
119.03487	2.4
121.02959	1.0
121.10226	0.9
124.01663	0.9
124.17129	0.7
125.02438	1.6
125.09702	0.8
127.11280	1.4
134.03697	1.1
135.04518	1.6
137.02374	0.7
137.09741	0.7
143.03455	1.4
155.10760	0.7
159.03000	1.3
161.02417	1.6
161.04575	3.8
161.05707	0.5
171.13840	1.6
173.04504	1.7
179.03485	0.9
184.96609	0.7
185.11894	0.7
191.05592	2.5
193.05084	1.3
200.14194	0.8
229.18008	1.1
339.21490	0.7
339.25439	2.1
344.18405	2.3
357.26440	4.2
359.27838	0.8
362.19479	5.2
394.18588	0.7
453.28629	0.7
465.28690	1.4
483.29666	3.5
501.30643	100.0
502.31100	11.8
519.31689	24.0
520.32367	2.9
543.31635	1.1
545.29810	1.0
561.32562	7.1
605.33167	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.3175
Annotation	Unknow
Peak:m/z	Relative Intensity
51.76719	0.9
52.20034	0.9
55.01869	1.2
57.03434	2.7
59.01376	82.3
60.01691	1.0
69.29572	4.6
69.30009	4.8
71.00995	1.8
71.01377	26.1
72.99302	1.5
73.02952	6.6
83.01377	3.4
85.02938	13.5
86.00021	1.2
87.00848	2.3
89.02441	10.0
93.03436	1.2
95.01363	3.2
98.19901	1.9
99.00866	3.9
101.02450	12.4
113.02446	17.2
119.03484	3.8
125.02394	1.2
135.04466	1.9
143.03470	1.4
157.12294	1.3
161.04486	4.7
173.04552	2.6
191.05600	2.4
199.13332	1.5
234.34702	1.0
268.52420	1.1
339.25226	2.2
357.26416	3.6
362.19293	1.6
465.28445	1.3
483.29660	2.6
501.30643	100.0
502.24374	1.3
502.30899	9.0
519.31757	25.7
520.31903	2.6
561.32373	3.8
606.34180	1.0
620.55774	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	605.2996
Annotation	Unknow
Peak:m/z	Relative Intensity
52.38475	0.5
59.01368	1.3
61.98802	0.6
63.96223	0.7
71.01380	5.3
71.62221	0.6
73.02935	0.8
78.98581	4.3
79.95268	1.0
79.95731	18.2
80.96510	49.6
81.03456	0.8
85.02950	2.6
87.00868	2.2
94.98071	11.1
96.95999	2.3
97.02944	1.2
101.02430	2.1
106.98058	2.5
122.97562	2.2
125.02407	2.1
127.03979	0.7
134.97565	3.1
136.99094	1.3
148.99146	5.5
152.98642	2.8
161.04500	1.0
164.98599	8.3
185.89063	0.6
206.99649	2.8
224.47455	0.5
225.00716	11.9
241.00168	1.2
294.02197	0.6
299.04407	1.8
305.24924	1.3
385.07846	1.0
399.09576	2.3
416.00220	0.5
528.84686	0.6
605.29944	100.0
606.30157	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	605.2404
Annotation	Unknow
Peak:m/z	Relative Intensity
60.74660	0.3
61.98790	0.5
67.25224	0.3
70.09177	1.3
72.77560	0.3
74.04965	0.3
85.25443	0.3
96.29984	0.3
98.20500	0.4
100.54845	0.3
136.69862	0.3
141.47739	0.3
142.12946	0.3
147.32265	0.3
177.89487	0.3
357.83029	0.3
393.23016	0.3
414.14410	0.4
415.15573	0.6
429.16983	0.8
430.17963	0.9
443.18658	0.6
456.15390	0.4
457.20667	1.8
458.16959	0.5
459.17624	2.7
461.23108	0.5
470.21320	0.5
471.18207	1.3
472.18817	0.6
473.19745	4.2
474.20337	0.4
475.21310	0.8
485.18152	1.5
485.23947	1.4
486.20850	3.4
487.21176	0.9
496.19046	1.3
499.17441	1.6
500.17523	0.5
501.23868	2.7
502.22375	0.4
511.21289	2.3
512.21539	0.4
513.19196	2.0
514.20056	8.0
515.20428	1.1
517.18585	0.7
518.19330	1.7
528.21967	0.7
529.22400	100.0
530.22742	11.6
532.20782	1.5
533.21906	2.3
561.24884	0.9
573.21216	1.9
605.24146	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.1727
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	0.9
69.29252	3.0
69.83905	0.3
71.01376	0.8
85.02946	6.3
87.00876	0.9
93.03473	2.1
96.96005	0.4
108.02164	4.0
109.02953	1.0
111.04498	0.7
127.04011	1.3
135.04509	1.0
137.02443	0.4
145.99529	0.3
152.01152	2.9
153.01933	1.1
161.02460	2.1
173.04562	1.4
179.03494	1.0
187.82471	0.3
191.05600	100.0
192.05980	2.3
234.68613	0.4
251.09265	1.9
295.23404	0.4
299.07715	4.9
300.08072	0.5
353.08743	11.5
354.09085	0.9
383.20801	1.2
441.15372	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.1876
Annotation	Unknow
Peak:m/z	Relative Intensity
56.98710	0.3
59.01379	2.2
61.98827	0.9
71.01395	1.1
71.62733	0.4
79.95728	1.7
85.02953	0.7
87.00898	0.4
89.02463	0.7
89.03976	1.4
93.03450	5.0
95.95204	0.8
96.96007	17.3
97.02959	0.4
98.95576	0.9
101.02468	0.5
103.87984	0.3
106.04245	0.5
108.02156	1.1
111.00809	0.3
113.02444	0.8
117.03469	4.8
125.02424	0.9
131.03484	0.4
132.02187	2.5
133.02971	0.7
134.03738	83.2
135.04530	42.8
135.05305	0.5
135.05646	0.7
136.04842	1.4
137.02446	0.9
145.03035	0.4
147.04515	0.5
149.06079	8.1
159.04509	0.3
160.01656	10.3
160.03001	0.5
161.02473	2.0
173.04523	1.4
175.03986	11.3
176.04312	0.3
177.01900	0.6
178.02725	1.3
179.03455	1.0
191.05641	2.6
193.05045	100.0
194.05377	3.6
231.06944	19.9
231.57080	7.8
232.06918	3.7
235.06104	1.3
239.06662	2.6
239.56847	1.0
240.06633	1.1
258.01794	0.4
265.07385	0.4
272.85767	0.4
284.43253	0.3
301.03574	1.7
331.04419	0.9
353.08691	0.9
365.17886	6.9
366.18091	2.6
367.10239	1.3
399.18466	0.4
429.59479	0.3
469.13477	32.4
470.13712	2.5
501.30847	0.4
605.18201	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.1507
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	1.8
71.62074	0.9
75.48837	0.6
81.03466	0.7
85.02946	4.9
87.00893	1.3
91.04150	0.5
93.03451	2.8
96.95995	1.3
108.02171	58.0
109.02973	11.2
111.04518	1.4
116.39694	0.5
121.02945	0.7
125.02474	0.8
127.04006	1.6
133.02997	1.3
135.00873	0.7
135.04558	1.3
151.04007	1.1
152.01143	45.9
153.01942	13.2
161.02466	1.6
163.03976	0.6
171.03044	0.6
173.04521	1.7
179.03534	0.7
180.62921	0.6
191.05602	100.0
192.06003	2.3
234.57887	0.5
244.92915	0.7
251.09294	1.4
299.07690	89.1
300.07993	4.5
353.08801	11.3
383.20721	2.5
544.99408	0.6
545.25946	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.1145
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	3.4
60.99296	3.1
61.94573	0.8
71.01383	2.2
85.02946	6.1
87.00887	1.6
88.98802	15.2
89.02443	1.5
93.03444	3.0
96.96008	11.0
101.02446	1.0
109.06606	0.9
111.04513	1.5
113.02448	1.4
125.02492	1.4
127.03989	1.2
133.02956	2.3
134.03722	2.5
135.04517	44.7
136.04849	2.1
137.02446	1.5
155.03497	2.7
161.02419	6.8
173.04527	4.2
179.03481	47.6
186.22221	0.9
191.05600	96.7
192.05956	3.1
203.82581	1.0
207.10245	2.4
273.39352	0.9
342.09579	1.0
353.08737	100.0
354.09091	5.5
384.93396	0.9
397.13458	1.2
491.02850	1.1
515.11938	6.6
605.20294	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.1144
Annotation	Unknow
Peak:m/z	Relative Intensity
58.61163	1.9
59.01367	3.4
60.57212	1.9
67.01896	3.6
70.36408	3.0
70.36802	3.0
70.84144	1.7
71.01373	3.2
85.02940	5.6
87.00899	1.8
88.98789	5.9
89.02435	1.9
93.03452	21.2
96.95990	7.5
98.52184	1.6
109.02962	3.5
111.04503	5.9
113.52971	1.5
118.70547	1.5
125.02416	3.5
125.67471	1.4
127.04021	1.9
133.02945	2.5
134.03725	3.5
135.04514	61.3
137.02444	7.9
151.00407	1.8
153.01871	2.0
155.03531	8.7
161.02388	9.0
173.04527	88.5
174.04880	2.3
175.03966	2.9
179.03474	70.0
180.03793	2.0
191.05591	46.6
203.03479	4.4
207.10326	2.0
317.06696	3.2
319.12872	5.2
325.78665	1.8
353.08728	100.0
354.08990	6.7
357.24265	1.7
397.13043	3.6
515.11963	42.9
516.11865	2.5
605.17670	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	603.3018
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	4.2
59.01099	3.9
59.01377	50.8
61.98829	25.0
71.01366	17.7
81.50703	2.6
83.01363	3.8
85.02924	4.7
89.02428	7.8
95.04989	2.5
96.95992	10.3
97.06597	11.1
101.02417	9.4
107.35187	2.2
111.08114	3.7
113.02422	4.3
123.04522	2.9
125.02429	2.8
125.09727	3.8
126.07256	2.6
135.04501	3.9
149.09731	2.6
151.11246	13.1
155.10786	2.6
161.04494	8.1
163.11259	3.1
165.12842	18.6
165.29434	2.3
169.12265	2.8
171.10231	5.7
173.04585	2.7
179.10780	5.2
181.12299	9.7
191.05594	8.1
191.10719	6.5
191.14465	4.1
209.11821	63.1
211.13351	6.3
227.12923	14.2
235.08336	2.8
245.19025	12.5
253.09280	34.9
263.20132	18.8
271.17014	3.9
289.18060	23.6
307.19113	100.0
308.19449	6.4
309.20798	2.9
445.20712	28.9
505.86569	2.5
543.28064	15.5
603.26715	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	605.1145
Annotation	Unknow
Peak:m/z	Relative Intensity
51.67339	2.2
59.01368	5.4
60.99300	3.0
67.01888	3.7
71.01366	5.5
71.18892	4.3
79.95667	2.3
85.02941	7.1
87.00816	4.7
88.98805	7.8
93.03441	21.1
96.95361	3.7
96.96006	70.4
111.04511	8.2
123.04490	2.8
126.94681	2.5
127.03962	3.3
133.02931	7.7
134.03705	4.7
135.04517	81.5
136.04819	4.7
137.02428	9.3
153.01926	3.1
155.03468	9.2
158.06602	2.5
161.02434	35.9
169.93681	2.6
173.04530	95.9
179.01871	2.9
179.03479	87.8
191.05598	92.2
191.27467	2.4
192.05991	2.8
203.03581	2.9
209.17264	2.9
217.20648	2.6
304.05206	2.8
335.07706	8.2
353.08734	77.8
354.09048	4.1
405.88724	2.8
515.11908	100.0
516.12378	10.3
605.23834	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.302
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	33.0
61.98819	9.6
71.01044	2.3
71.01384	10.9
72.62391	2.0
72.85442	2.1
76.44317	2.3
78.95875	3.7
83.01384	5.2
85.02952	5.5
89.02449	7.7
91.52296	2.3
96.95985	8.1
96.96970	3.8
97.02953	3.7
97.06586	7.3
101.02459	12.4
109.02917	2.9
113.02441	7.2
115.92084	6.8
119.03486	3.6
123.04518	4.8
125.02419	2.3
125.09715	8.9
135.04460	3.4
135.08191	2.3
137.02432	3.9
137.09705	4.6
142.39650	2.2
161.02394	4.4
161.04532	5.9
163.11217	7.6
171.10185	5.3
185.11815	9.8
191.05569	9.5
191.14359	8.4
203.74086	2.8
207.10236	4.8
209.11812	25.8
211.13364	2.6
225.11273	5.1
229.76906	3.6
237.11198	4.5
245.19069	17.4
253.09250	44.2
263.20068	5.0
271.17117	3.2
289.18054	98.6
290.18420	4.5
307.19135	100.0
308.19421	7.6
350.49814	2.8
387.47470	2.5
451.20624	3.9
543.27802	4.0
603.25720	29.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.3016
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01364	3.7
60.99299	17.4
61.98818	5.2
64.93121	2.4
81.70760	2.2
87.00868	7.1
88.00390	10.4
88.98799	95.3
89.02441	100.0
105.11893	2.7
115.69996	2.4
231.76016	3.1
305.24719	7.0
457.20560	2.9
530.31970	5.3
603.19458	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	603.3018
Annotation	Unknow
Peak:m/z	Relative Intensity
53.48491	1.3
55.01878	1.2
59.01377	40.5
61.98824	4.1
67.64835	1.1
70.89079	1.4
71.01115	1.0
71.01394	10.7
73.02988	1.3
75.00848	1.4
78.95880	1.9
81.03455	2.2
83.01376	2.7
83.05029	2.7
85.02948	2.2
87.00867	1.6
89.02443	7.2
96.96003	7.4
96.96946	1.5
97.02925	2.7
97.06589	3.9
98.20679	1.9
101.02451	10.1
108.70614	1.2
109.02927	1.3
113.02457	7.3
115.92091	6.3
117.27538	1.5
119.03479	2.6
121.06562	1.5
123.04490	4.1
125.09702	4.9
135.04524	2.3
137.02423	1.8
137.09692	5.9
141.12918	1.6
143.03470	1.5
146.50862	1.3
161.04521	4.4
163.11282	8.5
165.12743	2.0
171.10251	2.6
173.04596	2.2
179.03535	1.5
179.05624	1.8
181.12234	1.8
185.11841	8.7
191.05594	6.8
191.14397	7.0
207.10266	4.5
209.11812	28.6
211.13316	2.3
217.16054	1.6
225.11307	2.7
235.08035	1.8
237.11308	3.0
245.19061	17.4
253.09270	42.3
263.20096	6.0
271.17038	3.1
289.18082	96.3
290.18369	5.0
306.48660	1.3
307.19141	100.0
308.19418	5.3
543.28198	2.9
603.25598	7.1
603.39319	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.3015
Annotation	Unknow
Peak:m/z	Relative Intensity
53.47142	2.8
57.03452	3.4
58.32876	2.7
59.01378	40.5
60.89013	2.6
61.98823	26.4
69.03467	3.1
70.92061	2.7
71.01390	16.8
71.16483	3.7
71.16802	3.4
83.05016	5.8
84.95117	11.3
85.02926	3.7
89.02444	6.0
93.03439	4.0
96.96002	9.7
97.06589	7.9
101.02443	8.0
111.08173	5.9
113.02427	6.0
126.22694	2.6
143.03409	3.5
151.11229	11.3
161.04539	4.0
163.11320	3.5
165.12831	17.0
169.12340	5.4
173.04541	3.6
179.10739	6.6
181.12308	15.7
191.05573	10.9
191.10733	7.5
209.11844	48.8
211.13359	5.4
227.12840	9.1
245.19017	12.2
253.09299	28.8
263.20068	16.8
284.14230	2.8
289.18018	28.5
307.19135	100.0
308.19373	3.3
411.17520	2.9
445.20538	17.8
461.60770	3.0
514.18811	2.7
518.32269	3.4
543.27759	17.4
603.29742	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	601.2863
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	2.8
59.01373	63.3
61.98827	7.3
62.35335	0.9
62.54604	1.1
67.01927	1.0
67.52925	0.9
69.40079	8.1
71.01377	19.3
72.99300	1.8
73.02937	10.3
75.95660	0.8
79.95747	1.9
80.96546	1.1
81.03446	1.1
83.01375	4.4
85.02937	10.0
87.00853	3.2
87.04516	2.7
89.02428	8.4
91.55209	0.9
93.03468	6.9
95.01406	1.3
96.12854	0.8
96.95998	16.6
99.00886	2.3
99.04496	2.3
101.02433	13.1
101.06094	2.1
109.02945	2.8
111.00894	1.0
111.04485	1.5
113.02465	7.0
119.03484	2.6
121.02953	1.9
123.04452	1.1
125.02415	2.7
128.03529	1.8
133.02975	2.0
134.03780	1.7
135.04541	2.9
137.02422	3.1
137.09703	2.1
143.03491	1.3
145.06158	1.2
149.02452	2.0
150.03230	1.2
155.03487	1.0
160.01691	1.0
161.02383	4.0
161.04485	2.1
164.04784	1.2
165.05519	6.1
167.03571	0.9
173.04546	8.5
173.05896	1.7
175.04053	1.3
177.05675	1.5
179.03427	2.9
179.05588	1.1
179.90892	1.0
181.12285	1.1
189.01863	2.6
191.05594	28.0
191.07353	1.6
192.05856	2.2
193.05014	1.8
202.02591	1.0
209.11839	2.9
217.01390	4.3
223.06000	1.7
239.06612	1.7
258.01706	1.2
269.59436	1.1
271.02542	0.9
283.13452	4.5
289.06937	1.5
301.03439	3.8
309.14700	1.3
327.16098	1.3
329.38275	1.1
331.04550	2.8
335.22107	1.2
336.22388	1.2
341.06445	1.2
345.17020	1.0
449.08698	1.2
480.17004	1.6
497.27469	3.2
515.28448	3.9
547.16351	2.0
557.29620	100.0
558.29987	8.9
585.23425	7.6
585.73322	1.8
601.15784	2.5
601.25464	3.1
601.34576	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.1772
Annotation	Unknow
Peak:m/z	Relative Intensity
54.44932	0.9
55.50154	0.9
59.01377	53.2
61.40953	1.0
61.98815	1.0
65.21247	0.9
67.71440	0.9
70.00149	4.0
71.01380	1.9
71.05036	1.3
72.85699	0.9
72.99299	1.9
74.67524	0.9
85.02940	2.9
87.00887	1.4
87.04498	1.9
93.03457	7.9
96.96024	4.8
99.04524	8.6
99.08152	3.9
103.00392	6.9
109.02979	1.0
111.04490	1.4
115.04008	7.1
115.07632	1.2
117.05544	5.0
135.04518	16.3
136.63925	0.9
143.07164	4.5
155.03499	0.9
161.02457	1.6
161.08185	100.0
162.08504	2.9
173.04535	25.3
179.03485	13.7
191.05594	16.5
203.09238	19.6
247.06377	1.6
251.45778	0.9
271.55374	1.0
331.11682	1.1
344.78510	0.9
349.35980	1.0
353.08765	18.2
415.17273	1.0
601.15015	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	601.2173
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50399	0.1
59.01369	0.3
61.98829	1.8
69.41550	0.6
69.41975	0.5
70.09727	0.1
71.01382	0.2
78.95905	1.9
79.95737	2.8
85.02885	0.1
88.98803	0.8
93.03437	0.5
96.96005	100.0
96.96883	2.8
97.95938	0.2
98.20585	0.2
100.64858	0.1
101.02435	0.1
109.02925	0.8
110.03297	0.2
125.02419	0.2
132.02342	0.1
133.02954	0.2
133.57559	0.1
135.04535	0.5
137.02409	0.4
147.04430	0.2
150.03172	0.1
153.01942	1.2
154.02251	0.7
161.02428	0.5
165.01859	0.1
173.04497	0.5
179.03577	0.1
179.07202	0.2
191.05583	1.4
195.06619	0.2
220.62842	0.1
229.08583	0.1
231.26385	0.1
233.06764	0.2
238.96944	0.1
252.08000	0.1
289.07205	0.2
342.09766	0.2
353.08334	0.1
538.16528	1.5
539.16400	0.2
579.71063	0.1
601.20343	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.177
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	4.1
64.11636	0.6
66.14936	0.6
71.01358	1.3
71.06614	1.2
71.06942	0.6
85.02938	5.7
87.00864	1.3
93.03444	2.0
96.96008	1.1
99.04520	0.8
109.02921	0.8
127.03994	1.8
133.03017	0.9
135.04559	0.9
143.07124	0.6
144.47650	0.6
147.22919	0.7
161.02455	2.4
161.08195	5.9
173.04428	1.0
179.03468	1.2
191.05589	100.0
192.05916	2.6
203.09184	1.7
241.53381	0.6
274.96899	0.6
314.50119	0.7
326.28946	0.6
353.08722	19.1
354.09030	1.1
361.80063	0.7
595.78003	0.8
601.27216	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.1327
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	1.2
61.98818	0.7
71.01376	1.2
77.69003	0.2
79.95712	0.4
85.02927	0.6
87.00897	0.4
88.98772	0.2
89.02451	0.9
91.01896	0.7
93.03452	32.4
94.03772	0.6
96.96004	8.4
97.02953	0.5
98.20589	0.4
101.02421	0.3
109.02946	0.5
112.10866	0.3
113.02394	0.3
115.04008	2.1
121.02929	1.5
125.02431	0.5
131.04605	0.5
133.02930	0.4
135.04527	1.1
137.02434	100.0
138.02757	2.7
139.03928	0.4
146.04572	0.3
151.03987	7.9
161.02399	0.8
165.02043	0.2
173.04535	0.8
175.03976	0.3
179.03461	2.0
191.05583	3.4
192.06000	0.3
221.04538	0.3
239.06648	0.5
311.07916	0.4
311.94241	0.3
353.08780	0.3
413.10837	26.7
414.11313	1.8
533.13000	1.3
563.18396	0.3
565.15540	14.4
566.15692	1.4
601.29407	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.1198
Annotation	Unknow
Peak:m/z	Relative Intensity
52.33265	0.4
57.24425	0.4
59.01417	1.5
60.99332	0.5
61.98848	1.1
71.01408	1.3
71.62284	0.7
79.95747	1.0
85.02980	1.5
87.00928	0.6
88.98803	3.3
93.02934	0.4
93.03503	1.8
95.01406	0.8
95.05050	0.5
95.74265	0.4
96.96005	13.9
98.95634	0.8
107.01439	0.6
109.02924	2.4
111.04565	0.5
113.02495	1.0
121.02941	2.9
121.06653	0.5
122.71600	0.5
123.00878	0.9
125.02422	2.2
133.02998	1.5
134.03780	1.3
135.04517	7.5
136.04933	0.6
137.02426	2.6
137.35239	0.4
138.05615	0.7
149.02477	1.1
150.03218	1.0
151.00365	3.8
151.04066	0.8
153.02016	0.6
153.05576	1.0
159.04543	0.7
161.02454	3.9
162.28059	0.5
163.00395	0.9
163.03990	0.6
165.01906	2.3
173.04584	1.2
174.03226	1.4
175.04080	0.5
177.01967	1.6
178.02673	1.1
179.03487	5.6
180.04300	1.1
183.03000	0.8
187.03941	0.8
189.02048	0.9
191.05603	8.2
191.07310	0.6
192.06117	0.8
195.06596	1.6
197.04494	0.9
199.04071	1.0
201.05560	1.0
202.02866	0.5
203.03539	1.1
205.01578	0.7
205.05109	0.7
213.05614	0.6
214.02757	1.2
215.03503	1.6
217.01390	0.5
227.03563	1.3
229.01576	0.6
229.04977	1.0
230.02161	1.1
231.06920	6.3
231.57100	0.9
239.06723	1.6
241.04909	0.5
243.03030	2.2
245.04550	0.8
255.03056	1.1
256.03763	0.7
257.04611	0.8
258.01657	38.7
259.02405	14.5
259.05148	1.0
259.09985	0.6
260.02814	0.7
267.07159	0.6
269.04437	0.5
271.02454	24.5
272.03204	13.5
273.04010	16.6
274.04456	0.5
283.02438	1.8
285.03949	8.9
286.04352	0.7
289.07437	0.6
297.03873	0.6
298.01178	0.8
299.02100	0.6
301.03513	100.0
302.03830	4.3
304.02185	2.4
311.01953	1.0
313.03494	9.1
314.03705	0.7
315.05060	2.0
325.03635	0.9
329.02942	1.0
331.04559	57.3
332.04858	2.9
343.04358	2.1
345.06042	1.3
361.05588	1.2
365.17868	9.5
366.18118	3.1
367.04395	0.8
367.17648	1.1
383.18875	2.1
385.05603	3.6
399.18314	1.0
403.06717	3.4
518.92706	0.5
526.22980	0.5
554.99976	0.5
583.10773	0.6
601.11639	26.8
601.19482	2.6
601.27533	1.1
602.11975	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	600.2509
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00604	0.3
59.01376	6.0
60.01712	0.5
61.98827	100.0
71.01384	3.3
71.61472	0.3
72.99315	0.3
73.02942	1.3
85.02956	0.8
87.00880	0.5
89.02446	4.4
90.02774	0.4
93.03473	0.5
93.75655	0.2
96.96007	1.6
97.03002	0.3
99.00868	2.2
99.04564	0.3
101.02430	2.2
103.00452	0.3
109.02940	0.4
113.02473	0.6
114.02788	0.3
119.03509	0.7
125.02424	0.3
131.03561	0.4
133.02977	0.5
149.04575	0.9
150.04958	0.4
161.02431	0.5
161.08253	1.2
173.04536	0.7
191.05594	5.9
192.05992	0.4
205.04927	0.3
233.04526	0.6
240.07568	0.6
297.05298	0.3
353.08887	1.3
383.19186	1.1
394.94351	0.3
410.73770	0.3
539.26892	2.1
540.27350	13.1
541.27142	0.5
556.31604	0.3
600.20929	0.5
600.31171	0.3
601.16730	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.395
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01353	31.1
61.98816	31.0
69.55985	59.9
83.05040	8.8
88.98814	8.2
89.02439	10.1
93.63718	7.6
96.95969	8.5
125.09675	11.4
171.10242	79.4
191.14444	12.1
209.11821	100.0
223.13481	9.0
236.22621	8.4
245.19023	23.3
289.18063	51.3
291.19580	22.4
307.19257	45.0
440.53458	8.8
469.33401	11.0
599.30157	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	600.173
Annotation	Unknow
Peak:m/z	Relative Intensity
54.31387	0.4
58.02958	0.7
59.01360	1.2
61.98827	3.2
64.13783	0.4
67.93324	0.4
70.56404	0.4
70.81425	0.8
71.01369	0.7
72.01782	0.4
73.02934	0.4
74.02466	1.0
85.02934	0.6
86.02483	0.5
89.02476	0.5
93.03455	1.6
96.96001	2.9
99.05625	0.8
101.02486	0.5
102.05600	0.7
108.02164	58.3
109.01662	1.6
109.02484	1.2
110.02482	0.7
128.03525	2.8
133.02939	0.6
134.03723	0.5
135.04521	1.2
137.02359	1.2
143.04617	3.3
144.04907	0.7
145.03004	0.5
150.05634	2.5
161.02415	1.4
171.10240	2.4
172.10481	0.5
173.04489	1.2
173.06050	1.7
179.03355	0.5
179.04709	0.7
189.01884	0.7
191.05550	3.7
200.04669	1.0
201.05554	100.0
202.05916	4.2
209.11823	2.1
210.12045	0.5
217.01344	1.1
231.06947	1.3
235.41464	0.5
254.07733	1.2
264.47357	0.4
272.08875	1.4
273.09106	1.0
306.07596	1.7
307.07953	2.3
308.07297	3.3
327.05032	0.5
352.11841	9.7
353.12259	0.9
547.16412	0.9
600.28918	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.2861
Annotation	Unknow
Peak:m/z	Relative Intensity
52.49677	1.4
53.86495	1.2
57.03448	7.0
58.03014	1.2
59.01377	3.5
61.98824	5.4
66.64030	1.2
69.03449	3.0
69.74413	5.3
78.95911	1.8
81.03452	3.8
83.01389	8.1
83.05061	1.4
85.02931	1.7
93.03448	5.0
95.05023	4.2
96.96007	3.9
96.96954	3.6
97.02944	6.1
99.04516	2.6
109.02940	4.5
109.03690	1.1
121.02951	8.9
122.03721	4.1
123.04496	3.9
124.01633	1.7
125.02445	48.6
125.09698	1.7
128.03510	1.3
133.02968	1.7
135.04546	3.5
137.02440	69.8
138.02754	2.1
139.04008	4.0
146.03728	13.4
147.04353	1.3
149.02478	1.9
151.03989	4.1
158.03632	1.6
159.04517	7.3
161.02460	4.9
161.06046	2.1
162.03204	3.5
163.03871	1.8
164.01100	6.9
165.01924	91.5
166.02299	2.2
166.33298	1.2
167.03485	22.5
171.10263	13.5
172.05247	3.3
173.04532	1.9
173.06110	2.5
174.03165	6.8
175.03958	1.7
179.03490	5.6
185.06108	2.4
186.06830	2.4
187.03925	2.0
188.04794	4.2
191.05614	5.2
197.06047	1.6
197.11800	1.9
199.07626	1.6
200.04741	2.3
201.05591	2.2
201.11316	4.5
202.06297	2.1
203.03514	1.6
204.04349	2.1
209.11839	8.0
213.11322	3.5
215.10738	5.9
215.12865	10.9
216.11322	2.0
217.12329	29.7
223.57121	1.3
225.05550	2.7
226.06441	1.7
229.12267	5.4
231.13855	5.1
239.07104	1.7
243.13881	7.2
245.11781	10.1
253.09294	1.9
255.13933	2.3
257.11713	3.3
259.13345	18.6
260.14035	3.5
261.14926	6.5
268.07422	3.6
271.13370	5.4
271.16418	1.3
283.13412	2.2
288.06525	2.0
289.14520	1.9
297.15079	1.9
299.16724	2.2
315.15686	1.7
339.15900	3.6
340.16455	1.7
365.17429	1.7
383.14847	10.5
384.15601	1.4
397.23978	1.8
401.23352	1.3
407.07584	1.5
409.16562	4.9
415.24973	1.8
419.24237	3.5
427.17627	16.6
431.24429	7.6
443.24234	7.6
455.24643	1.6
457.20999	1.3
461.25336	14.1
462.25772	1.7
501.31894	2.5
537.28406	1.7
555.29395	3.3
581.27588	8.7
582.28186	1.7
599.28619	100.0
600.29211	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	599.2858
Annotation	Scutianine J
Peak:m/z	Relative Intensity
57.03446	5.9
59.01358	1.5
61.98823	1.2
67.01887	0.8
68.89301	0.7
69.03446	1.0
70.62444	2.3
70.99944	0.7
77.03963	0.9
81.03452	2.8
83.01389	6.0
88.81647	0.7
93.03445	3.2
95.05026	2.1
96.53310	0.7
96.96941	0.7
97.02928	3.2
97.23651	0.7
98.51942	0.7
99.04502	2.6
101.15587	0.9
109.02956	3.8
121.02944	3.6
121.94522	0.7
122.03754	1.3
123.04499	2.2
125.02438	45.1
125.09727	1.3
130.08954	0.7
137.02440	55.1
138.02750	1.5
139.04007	1.9
146.03734	15.2
147.04611	0.8
149.02473	1.1
150.03175	0.7
151.04025	1.4
158.03734	0.7
159.04550	4.0
160.05251	2.3
161.06050	1.2
162.03249	0.9
164.01138	3.9
165.01918	55.1
166.02249	1.4
167.03481	21.5
171.10295	3.7
172.05341	4.1
173.06091	1.4
174.03177	5.5
175.03981	1.0
179.03490	4.2
185.11745	1.2
186.06830	1.4
188.04764	1.5
199.07599	1.4
199.09700	1.2
199.11368	0.9
200.04744	0.8
201.05551	1.3
201.11327	3.3
204.04247	3.1
211.04041	1.1
212.04727	0.9
213.11339	1.8
215.10716	6.8
215.12856	12.6
216.11519	2.2
217.12306	31.5
218.12695	1.8
224.04686	0.9
225.05540	2.5
226.06281	1.5
229.12305	5.3
230.12883	0.7
231.13892	2.0
239.07007	1.4
240.07870	1.0
242.12955	0.8
243.10201	1.1
243.13904	5.0
245.11778	10.4
255.13916	2.0
257.11737	1.5
259.13345	2.8
268.07364	4.2
271.13214	1.5
282.12549	1.0
283.13327	1.3
288.06519	1.5
289.14548	0.9
297.14850	1.7
313.18204	0.8
315.16196	1.4
339.15936	5.2
353.17676	0.8
383.14954	13.1
384.15213	1.0
413.23260	1.0
419.24500	1.4
427.17499	1.0
431.24390	9.5
432.24728	1.2
443.24310	8.3
455.24442	2.7
461.25366	9.8
462.26105	1.2
473.25815	1.0
519.27460	1.1
529.66742	0.8
537.28448	1.0
555.29272	3.9
563.26337	0.9
581.27423	9.8
599.28577	100.0
600.28894	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	599.2861
Annotation	Scutianine J
Peak:m/z	Relative Intensity
54.90945	1.0
56.24840	0.9
57.03441	6.6
59.01364	3.9
61.98822	6.2
65.70167	1.0
69.03448	1.4
70.24052	1.0
71.62150	1.5
81.03443	3.5
83.01403	5.5
85.02993	1.3
87.00914	1.4
93.03433	3.8
96.96004	5.2
97.02943	1.6
97.06565	1.2
99.04510	1.8
108.02181	1.1
109.02962	2.1
110.11961	1.1
121.02960	3.5
122.03703	3.1
123.04478	3.7
123.05401	1.4
125.02438	30.9
135.04521	7.3
136.05292	1.3
137.02438	15.8
137.09796	1.1
139.04028	1.5
140.16838	1.3
149.02396	3.5
149.06017	2.2
150.03117	1.4
151.03960	1.7
159.04524	1.3
161.02455	2.2
164.01128	3.7
164.04718	1.4
165.01932	6.8
167.03514	5.1
171.10226	4.5
173.04543	1.9
175.03909	1.7
177.05626	1.2
179.03497	7.7
191.05621	2.7
196.90623	1.3
197.29860	1.1
201.05556	2.2
202.06366	1.5
204.04268	5.3
209.11823	3.8
219.06682	1.5
245.11713	2.5
245.91916	1.3
247.13405	4.4
255.51845	1.2
259.13312	3.5
273.07803	1.2
289.14453	2.3
293.21494	2.3
299.16269	1.3
317.13992	1.4
343.15039	1.4
394.05219	1.1
401.23373	2.3
419.24408	7.7
432.44534	1.2
437.09082	1.5
443.24341	3.0
461.25449	12.9
471.27991	1.4
495.27512	1.4
503.33667	14.3
504.34064	2.0
513.28510	3.0
515.26312	2.2
537.28357	1.5
555.29669	10.1
581.27454	4.1
599.28564	100.0
600.28961	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	599.2011
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01360	0.7
61.98829	1.6
65.61449	0.2
66.19625	0.2
71.61995	0.2
73.02929	0.2
75.18465	0.2
78.95898	1.6
79.95730	2.9
82.95411	0.8
85.02935	0.3
89.02445	0.3
93.03446	0.3
96.96006	100.0
96.96992	2.5
115.00678	0.2
119.05023	1.7
123.04571	0.2
134.03731	0.3
135.04514	1.6
137.02426	0.3
147.73952	0.2
160.01620	0.4
161.02422	0.6
163.04027	0.7
173.04523	0.7
175.03975	0.3
176.04344	0.2
179.03473	0.8
181.05038	0.3
184.23302	0.2
191.05586	3.2
191.07127	0.3
193.05063	0.5
199.00684	0.7
199.03976	0.2
203.64693	0.2
204.45978	0.2
215.00168	0.4
274.49408	0.2
285.03970	0.8
301.03613	0.4
311.05316	0.2
313.05463	0.3
343.10425	0.3
353.08685	0.6
376.05899	0.2
389.16095	0.3
419.07748	0.5
421.07932	0.4
421.49399	0.2
449.07962	0.2
479.09802	0.8
509.11288	0.3
523.98267	0.2
563.21411	0.3
599.10327	2.4
600.11609	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.1439
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03438	0.7
58.00582	0.8
59.01377	18.2
61.98824	1.9
65.83687	0.3
70.52148	0.9
71.01383	9.9
72.99306	1.3
73.02949	0.9
75.66755	0.3
78.95921	0.3
79.95735	3.9
80.96530	1.7
83.01403	0.9
85.02943	2.8
87.00868	1.0
89.02444	6.7
93.03460	2.5
95.01385	0.6
95.95240	2.9
96.96008	62.0
98.95564	0.8
99.00845	0.4
99.08998	0.3
101.02441	8.6
109.02978	0.7
113.02435	3.4
119.03492	1.8
122.03767	0.4
123.04501	0.5
125.02444	0.4
128.03647	0.4
132.03053	0.3
133.02881	0.5
134.03685	0.5
135.04535	1.0
137.02470	1.2
138.97031	2.8
151.00684	0.5
155.03505	0.4
161.02396	2.0
161.59703	0.3
162.02911	0.4
167.03474	0.4
171.10310	0.6
172.05278	0.3
173.04555	4.0
179.03484	0.5
191.05603	6.7
192.05899	0.6
198.99040	0.4
202.06427	0.4
205.04895	0.3
259.02136	0.3
263.12906	0.3
267.07126	0.3
283.13403	1.4
285.04080	0.6
301.03531	1.3
301.14496	0.5
327.15964	0.4
335.22281	2.4
339.12259	0.5
345.16968	1.2
371.14798	0.4
389.16086	1.1
405.10385	0.4
419.08170	0.5
437.09122	1.3
437.18069	0.6
479.09424	0.4
519.20599	0.9
563.21576	1.5
563.30798	0.9
581.22253	1.2
599.14349	100.0
599.28003	4.6
600.14703	10.2
600.29346	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	598.2801
Annotation	Unknow
Peak:m/z	Relative Intensity
53.54860	0.5
58.02976	6.2
59.01370	2.2
61.98830	3.7
62.17074	0.5
66.03482	0.5
69.94344	2.6
70.02959	0.8
71.01375	1.7
72.00914	0.9
74.02470	16.2
81.04574	0.9
82.02979	1.7
84.04554	0.5
86.02471	5.4
86.06093	0.6
86.99100	0.7
87.05630	3.5
90.00188	1.2
93.03448	2.1
94.03026	0.7
94.03716	0.5
96.96020	2.3
97.04063	1.6
99.05639	11.9
101.07204	2.3
102.03556	0.6
102.05605	2.1
107.06134	0.8
109.02930	0.6
109.04076	1.8
109.07697	0.7
111.05651	1.2
112.04044	1.5
113.03571	0.6
116.01781	1.1
120.65055	0.5
122.76176	0.5
123.05668	1.3
124.04050	0.9
125.03552	1.7
126.02084	0.7
127.05132	3.3
128.03534	37.8
129.03867	0.7
135.04541	1.5
135.05640	4.1
137.02441	2.1
137.07219	0.7
141.06671	3.9
143.04611	48.9
144.05003	0.7
145.06166	2.0
146.04588	4.3
149.07155	0.7
153.06660	3.0
155.08220	0.6
157.59351	0.6
159.33771	0.6
160.00722	13.7
166.09869	2.8
167.04630	4.6
167.08250	1.7
170.03198	0.7
171.10225	1.3
173.04500	1.6
177.03397	5.1
179.04608	12.5
181.06207	1.5
184.10925	0.5
185.05667	2.3
191.05583	3.4
192.06027	0.6
192.07805	1.1
197.05661	1.6
209.11842	0.9
210.08820	11.6
231.06813	0.8
237.74484	0.5
242.07816	1.1
254.07803	16.2
255.08089	0.6
272.08850	29.0
273.09082	1.2
288.06549	10.0
291.19614	0.7
306.07623	100.0
307.08096	4.0
469.23633	0.8
534.84521	0.6
580.25854	2.3
598.27930	15.1
599.28113	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.276
Annotation	Unknow
Peak:m/z	Relative Intensity
55.35746	1.1
57.03432	2.7
58.40376	1.3
59.01375	33.2
69.60536	8.8
71.01379	30.3
73.02947	9.4
83.01391	3.0
85.02951	3.8
87.00872	2.1
88.04047	14.5
88.69888	1.2
89.02438	37.7
93.03457	1.4
96.95997	3.5
99.00877	15.3
101.02440	17.9
111.00880	1.7
113.02460	5.7
115.00348	6.5
119.03445	3.1
125.02419	3.5
130.06619	5.3
131.03481	6.4
132.03009	10.6
135.04565	1.7
136.73174	1.3
149.04543	13.5
149.09677	9.3
150.03198	4.5
153.09210	4.9
161.04535	1.7
165.05553	5.6
167.10777	11.6
173.04396	1.4
173.07167	25.9
179.03546	1.5
191.05585	8.1
195.06642	1.8
233.06497	1.6
240.07437	2.7
293.08859	2.5
335.12796	1.3
337.09412	1.5
356.59390	1.3
481.18369	3.4
482.16663	5.1
537.25470	100.0
538.25702	9.7
579.18030	2.1
595.18079	1.5
597.19305	45.7
598.19067	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	597.2702
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	8.4
59.01379	1.6
61.05661	0.5
61.98822	2.0
67.01883	1.0
69.03442	1.8
69.87279	1.1
69.87674	1.5
71.01363	1.3
71.05022	0.6
73.02924	0.7
76.46249	0.5
77.03960	1.2
77.65922	0.5
81.03451	3.6
83.01385	9.0
85.02950	0.5
93.03447	4.8
94.48830	0.4
95.01378	1.1
95.05016	2.0
96.96030	2.5
97.02942	4.1
99.04512	2.4
107.05000	0.6
109.02949	5.2
113.06123	0.6
121.02940	6.0
122.03722	1.5
123.00837	0.7
123.04527	2.7
124.01683	0.6
124.31865	0.5
125.02440	61.1
125.09715	1.4
126.02740	0.9
127.11301	0.7
133.02924	0.6
134.03722	0.7
135.04474	1.3
137.02435	62.1
138.03053	1.1
138.69351	0.6
139.04001	3.1
140.31650	0.5
143.10622	0.6
145.02913	0.9
146.03731	27.5
147.04535	9.6
148.05240	1.2
148.21741	0.6
149.02383	1.0
151.04004	2.1
153.09018	0.5
158.03677	0.7
159.04520	5.1
159.62689	0.5
160.05302	4.5
161.02499	1.4
161.06003	1.9
162.03151	0.8
164.01149	5.3
165.01920	61.1
166.02298	1.6
167.03487	28.2
168.03719	0.6
170.21292	0.5
171.10269	4.4
172.05313	6.0
173.04526	1.8
173.06042	2.0
174.01701	1.1
174.03207	20.9
175.03935	2.8
176.04863	0.6
178.02718	0.8
179.03410	3.3
183.04504	1.2
184.05214	0.8
185.06055	2.4
186.06821	2.0
187.03986	1.4
188.04744	2.0
191.05597	1.9
196.05367	0.7
197.06035	1.8
197.11800	0.7
199.03947	1.6
199.07559	1.2
200.04659	1.2
200.08360	1.0
201.05513	2.1
201.09207	1.5
201.11293	2.0
204.04280	4.2
209.05977	1.1
211.03992	2.6
211.07608	0.8
212.04642	0.7
212.08359	0.8
213.05534	1.4
213.09151	5.0
213.11328	4.0
214.09943	1.9
215.10730	21.9
215.12846	12.3
216.11118	1.0
217.12311	0.5
224.04889	0.6
225.05554	4.6
225.09247	1.0
226.06342	2.4
227.07034	1.3
227.10783	2.4
228.04193	1.1
229.08870	0.8
229.12358	3.1
239.07108	0.8
239.10664	1.1
241.08653	1.4
241.12331	2.6
242.09390	1.0
243.10205	7.9
244.07397	2.0
251.07071	1.1
253.12268	1.4
255.10210	1.3
257.11804	2.1
267.06668	1.0
268.07324	7.7
269.08075	1.2
269.11731	1.2
270.05405	0.7
271.13324	1.6
279.10007	0.7
281.11713	0.9
288.06250	0.9
294.12573	0.7
295.13373	1.4
297.11380	0.8
297.14734	0.7
309.14838	0.7
312.06369	1.1
337.14346	2.6
348.15607	0.7
360.15720	1.8
363.16135	0.7
372.15765	1.7
381.13358	16.6
382.13806	1.4
389.14346	0.6
411.21796	1.8
417.22800	0.9
429.22754	9.7
430.23029	0.9
441.22742	9.4
442.23340	0.7
453.22992	3.3
459.23834	12.6
469.26157	0.7
471.23944	0.6
535.27191	1.0
543.54852	0.6
553.28015	3.3
561.24866	0.7
579.25989	9.4
580.26147	1.5
597.26996	100.0
598.27356	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	597.2189
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00230	2.1
58.00579	5.2
59.01377	100.0
61.98822	9.5
71.01383	71.8
71.62127	4.1
72.99310	4.5
75.00863	13.3
82.95382	5.3
83.01400	4.3
85.02958	14.3
87.00883	5.7
89.01912	5.5
89.02440	84.5
93.03448	7.2
94.02996	6.2
95.01376	5.0
96.95986	21.9
101.02438	38.2
106.80576	3.0
108.04557	4.4
109.02959	3.0
113.02435	26.5
115.00371	3.2
116.05051	3.0
119.03502	35.7
121.02908	7.1
125.02424	5.5
125.78698	2.7
133.01437	3.7
135.04532	14.0
137.02454	5.8
138.01974	6.0
139.03995	8.3
140.04350	4.3
143.03503	10.0
146.03722	9.9
149.02466	4.0
149.04504	4.8
150.03206	3.0
151.04048	3.1
152.01155	3.9
153.01938	6.8
155.02460	3.1
160.03897	3.0
161.02405	14.2
161.04555	12.5
161.05853	3.7
162.03201	13.5
164.04799	9.0
165.05521	4.0
166.02660	3.2
167.03506	3.4
168.04239	2.7
173.04547	5.1
177.05617	20.7
179.03500	9.0
179.05589	32.1
179.07120	17.2
180.03004	7.9
181.05070	3.3
191.05569	32.0
195.06645	5.4
345.27536	3.3
357.12988	3.3
399.14407	25.7
456.12106	2.8
597.16351	10.3
598.11993	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	597.125
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	3.1
61.98827	3.5
66.03484	0.4
67.01891	0.5
69.03458	0.5
71.01388	2.0
78.95900	0.5
79.95744	1.1
81.03418	0.5
81.97367	0.4
83.01397	0.5
83.04997	0.5
85.02956	2.4
87.00875	1.3
89.02440	0.5
93.03456	6.4
93.77467	0.4
95.01371	0.5
96.96004	23.4
98.19920	1.2
98.95599	1.3
101.02470	0.9
102.61298	0.5
108.02187	0.9
109.02937	3.9
110.02464	0.5
111.04471	0.5
116.92850	0.5
123.00983	0.5
123.04549	1.0
125.02444	1.7
127.03986	0.5
133.02950	2.0
134.03751	2.6
135.04536	2.0
137.02469	3.6
149.02422	1.1
151.00314	1.3
151.04143	0.5
152.32776	0.5
155.03612	0.5
155.04924	0.5
159.04449	0.8
161.02434	4.3
163.00294	0.7
165.01993	0.7
171.04530	0.6
173.04550	5.1
174.03165	0.4
177.01923	0.8
179.03452	1.3
185.06096	0.8
187.03944	0.9
187.07613	0.7
189.01974	0.8
190.99883	0.7
191.05597	16.0
192.05923	0.9
193.04935	0.8
199.04050	0.9
201.05499	1.0
203.03481	0.6
205.08687	0.7
211.03979	0.6
213.05664	0.6
214.02779	0.7
215.03459	2.5
215.07031	0.5
217.01566	0.6
217.08754	1.0
223.63063	0.5
227.03523	1.5
228.04173	0.5
229.05031	2.0
229.61586	0.5
230.02219	0.8
231.03084	0.5
231.10214	0.7
241.04909	0.6
243.02934	3.7
244.03621	0.9
245.04581	0.7
247.09587	0.6
249.11317	0.7
255.02858	1.4
257.04434	0.6
257.08194	0.9
258.01672	24.0
259.02435	20.8
260.02792	1.2
269.04660	0.5
270.01605	0.5
271.02451	24.2
272.03223	18.0
272.06274	0.7
273.04007	13.3
273.07095	0.8
275.09293	1.0
283.02457	1.8
283.05719	0.6
285.04010	9.3
297.03906	1.0
298.01169	1.9
299.01880	1.7
301.03510	100.0
302.03870	5.0
304.02277	2.7
311.01859	1.8
313.03491	8.5
315.04999	0.7
329.03162	0.8
331.04559	58.7
332.04938	3.2
338.45929	0.6
341.06631	0.8
343.04425	2.7
361.05566	1.1
367.04514	1.3
385.05566	6.7
403.07007	2.3
403.17371	0.5
421.07687	0.9
434.09216	0.6
449.14673	1.0
467.15265	0.9
554.13153	0.5
565.29846	0.5
579.11432	5.4
579.19635	0.8
580.96844	0.5
597.12408	33.8
597.20752	1.5
598.12665	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	597.1823
Annotation	Unknow
Peak:m/z	Relative Intensity
56.75503	0.5
57.03442	1.5
57.28125	0.6
59.01368	1.9
60.73643	0.6
67.72635	0.6
69.03457	1.8
70.16315	3.0
71.01373	2.2
73.02934	0.9
81.03460	8.4
83.01372	6.2
83.05029	0.8
85.02948	2.4
93.03452	5.3
95.01374	1.7
95.05018	5.4
96.96007	5.5
97.02946	5.1
99.04498	2.5
107.01369	0.8
107.04999	1.5
109.02971	3.6
109.06571	0.8
111.00819	0.7
111.04523	2.8
113.02418	1.5
115.12756	0.6
119.05023	8.6
121.02933	3.8
121.06577	1.1
123.04523	16.1
125.02448	11.4
133.06560	0.8
135.04504	5.3
137.02478	5.6
137.06070	7.9
139.04004	10.9
141.05510	0.9
147.04529	3.8
149.02441	1.5
149.06042	2.0
151.04013	3.5
153.05576	1.7
155.03465	0.9
161.02446	0.9
161.06058	1.8
163.03995	2.5
163.07622	1.2
164.04852	1.0
165.01939	1.8
165.05548	7.8
166.02704	1.4
167.03500	26.2
168.03757	1.1
171.04359	0.7
173.04568	0.9
173.06015	0.7
175.03918	0.9
177.01993	1.2
177.05568	1.9
179.03516	5.9
179.07132	1.7
180.04152	1.1
181.05054	2.6
181.53334	0.6
189.05563	7.6
191.03526	2.1
191.05602	6.2
192.04355	0.7
193.05008	5.1
195.06548	0.7
197.04572	5.2
205.05135	1.4
207.03087	1.3
207.06628	1.6
209.04544	30.9
210.04939	1.3
219.02948	1.0
219.06583	0.9
221.04575	5.0
223.06087	0.8
229.08607	1.8
233.04509	1.1
235.06206	0.7
239.05566	11.7
240.05937	0.6
243.74358	0.7
248.03246	0.8
249.04132	0.8
251.05609	4.7
263.05615	1.9
269.06708	2.8
273.07715	4.5
285.07709	2.0
286.08383	0.7
315.08728	15.6
327.08710	7.6
329.10306	0.6
339.08493	0.7
341.10345	1.1
345.09839	6.2
346.09753	0.8
355.08234	1.0
357.09772	100.0
358.10172	6.2
369.09799	5.2
371.11435	1.1
384.08942	0.7
387.10831	74.8
388.11160	4.9
399.10843	4.1
413.61456	0.7
417.11880	23.7
418.12195	1.6
429.11847	1.5
435.11163	0.9
441.12045	1.6
447.13104	0.8
459.12988	11.0
460.13046	0.9
477.14014	23.8
478.14105	1.4
489.14120	6.0
507.14960	3.7
579.17267	2.4
597.18176	13.8
597.26819	1.0
598.18500	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.1246
Annotation	Unknow
Peak:m/z	Relative Intensity
52.03128	0.3
59.01379	2.5
61.98828	12.5
63.43779	0.3
68.72361	0.4
71.01390	1.4
71.27672	0.3
71.62108	0.3
72.99345	0.5
73.02933	0.5
75.00871	1.2
79.95712	0.4
81.03465	0.3
83.01389	0.3
85.02956	0.9
87.00884	0.7
89.02448	0.8
93.03448	3.0
95.01389	0.7
96.96005	9.5
97.02970	0.4
101.02418	0.4
107.01382	0.8
108.02140	0.8
109.02950	2.2
113.02444	0.4
117.03480	0.4
119.05024	0.4
121.02947	0.8
123.00882	0.6
123.04504	0.6
125.02463	1.9
132.02179	0.4
133.02968	2.1
134.03754	2.9
135.04547	1.6
137.02414	1.6
142.75703	0.4
149.02437	0.6
149.06023	0.3
151.00365	3.3
151.04045	0.6
155.03481	0.3
159.04510	0.6
161.02437	5.4
162.02818	1.0
163.00351	0.6
171.10384	0.4
173.04526	2.3
173.05882	0.6
173.59967	0.4
174.03166	0.9
175.03978	0.6
179.03488	1.6
186.03072	0.4
187.04027	0.7
189.01898	0.6
191.05608	7.1
192.05914	0.5
193.05017	0.8
199.04018	0.6
203.03497	0.9
203.07048	0.4
205.01402	0.4
205.08571	0.4
211.04016	0.4
213.02003	0.5
214.02621	0.3
215.03491	1.2
217.01370	0.4
217.05151	0.4
217.08591	0.6
227.03477	1.5
229.01421	0.7
229.05022	1.3
230.02197	1.1
231.02896	0.8
231.10283	0.4
241.01378	0.4
243.02933	1.9
255.03078	0.5
256.03714	0.6
257.04630	0.5
258.01666	39.3
259.02411	15.5
260.02847	0.7
271.02451	25.6
272.03210	12.6
273.04010	16.3
274.04361	0.6
283.02438	1.8
285.04047	8.5
286.04337	0.5
298.01007	1.0
299.01901	1.1
301.03510	100.0
302.03851	4.8
304.02225	2.8
311.01959	1.3
313.03516	9.2
314.03909	0.9
315.05103	2.1
325.03665	0.3
329.03012	1.1
331.04556	59.1
332.04980	3.1
341.06631	0.6
343.04617	1.9
361.05630	1.4
367.04556	0.9
385.05637	3.5
403.06552	3.1
421.07700	0.6
435.09442	0.8
449.14407	0.6
462.75000	0.3
467.15521	0.5
545.23169	0.3
555.44806	0.3
579.11365	1.7
596.27844	1.3
597.12463	34.8
597.26917	2.8
598.12842	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	595.2884
Annotation	Neobonaspectin B
Peak:m/z	Relative Intensity
59.01370	0.8
61.98829	0.9
76.34599	0.4
78.95898	57.8
83.04990	0.4
84.63220	0.3
85.11201	0.3
96.95995	0.8
96.96955	9.8
99.35739	0.3
150.97993	1.1
152.99577	80.3
153.99933	0.7
171.00648	3.0
209.11870	1.9
223.00114	9.0
241.01170	22.8
250.74081	0.4
259.02158	1.4
261.22293	0.5
279.23270	57.0
280.23569	3.5
311.22156	0.4
315.04868	12.2
316.05530	0.4
333.05832	1.1
356.08389	0.4
453.33734	0.5
464.13489	0.5
595.28833	100.0
596.29175	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	597.1247
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03466	0.3
59.01388	1.2
61.98829	1.5
66.90955	0.3
69.65852	2.3
71.01394	0.9
75.00883	0.7
79.95727	0.4
81.03470	0.5
83.05052	1.4
85.02962	1.0
87.00909	0.4
88.98790	0.5
91.55759	0.4
93.03458	0.5
96.96011	16.4
98.20575	0.8
101.02458	0.4
109.02966	1.4
117.03454	0.3
119.03467	0.5
121.02980	0.4
122.65352	0.3
125.02467	0.5
131.04887	0.4
133.02979	0.9
134.03734	5.8
135.04506	1.7
137.02437	0.6
145.02960	0.5
149.06085	1.5
150.65216	0.3
151.00380	0.4
155.04984	0.4
159.04474	0.4
161.02463	1.7
171.04469	0.4
173.04521	0.7
175.00319	0.8
179.03447	0.8
183.04477	2.4
185.02444	0.5
187.04024	0.7
191.05609	3.4
191.99217	0.4
192.05919	0.5
193.05031	0.9
198.03314	0.4
199.04091	0.8
199.18089	0.4
203.03549	0.5
211.03984	3.5
213.01906	0.5
219.02933	0.7
225.15955	0.6
226.02646	0.4
227.03485	6.8
229.04906	0.7
231.02931	0.8
238.02676	1.3
239.03442	1.9
243.02921	0.4
243.17139	0.8
254.02156	1.5
255.02971	10.2
258.01645	1.5
259.02390	3.2
266.02261	1.0
267.02869	1.8
268.03775	0.6
269.04465	0.6
271.02420	4.4
272.03125	2.3
273.04034	7.4
281.04578	0.8
282.01733	0.7
283.02463	100.0
284.02832	5.1
285.03870	3.2
289.07037	1.1
296.03201	2.1
297.04068	2.2
298.01102	0.4
301.03516	19.8
302.03833	1.3
304.02295	0.6
309.04062	0.4
311.02054	0.8
313.03436	2.5
325.03540	5.6
328.02258	0.5
331.04541	7.9
331.08102	0.6
343.04532	0.8
403.06680	16.8
404.06818	1.3
417.05865	1.8
418.06842	0.8
419.07632	0.5
421.07739	12.5
422.08133	0.9
433.09256	6.3
434.09579	0.5
469.34174	0.6
477.08133	6.7
478.08707	0.8
489.08435	0.4
535.12903	0.5
553.13507	8.7
554.13855	1.0
579.11523	1.4
597.12390	38.5
597.38477	4.2
598.12854	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	595.2882
Annotation	Neobonaspectin B
Peak:m/z	Relative Intensity
59.01349	0.7
59.30954	0.7
61.86543	0.6
61.98823	1.4
64.55319	0.6
70.89293	1.2
78.95896	58.6
96.96044	3.0
96.96957	11.8
98.95596	5.4
98.96259	0.9
98.96362	0.8
101.02452	3.0
106.47980	0.7
134.98590	0.7
150.97986	1.3
152.99574	48.4
223.00084	2.4
241.01154	28.8
247.74121	0.5
259.02228	1.0
261.22351	0.8
279.23251	59.6
280.23770	3.3
315.04858	6.3
408.77628	0.6
415.22485	4.8
433.23495	0.8
595.28839	100.0
596.29071	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	595.2789
Annotation	Zn-OEP complex
Peak:m/z	Relative Intensity
51.54081	0.4
52.98650	0.4
59.01366	1.6
61.98833	3.6
63.96227	1.0
66.94315	0.4
69.03441	0.6
71.01375	6.0
71.09709	0.8
72.99300	0.5
73.02933	1.4
78.98589	4.3
79.33991	0.5
79.95734	9.4
80.96513	49.9
81.03441	0.8
85.02949	2.0
87.00881	2.2
87.28549	0.4
94.98080	13.1
96.95978	1.3
97.02944	1.4
99.00847	0.6
101.02408	1.8
106.98086	2.4
121.02928	1.4
122.97576	2.2
125.02432	2.5
127.04056	0.7
134.97575	4.0
136.99124	1.1
137.02487	0.5
148.99135	4.9
152.98621	4.4
164.98608	10.0
166.91629	0.4
191.05617	0.7
195.13797	1.0
206.99670	1.9
209.11795	0.6
224.98610	0.8
225.00739	14.0
225.88426	0.4
277.21753	0.6
295.22739	1.4
299.04456	2.5
371.78708	0.4
595.27869	100.0
596.28198	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	595.2419
Annotation	Unknow
Peak:m/z	Relative Intensity
51.59348	0.2
59.01378	1.3
61.98821	1.4
67.01875	0.5
68.59395	0.2
69.71387	0.2
71.01371	0.7
72.55519	0.2
72.99310	0.4
78.95901	1.7
79.95732	3.2
85.02956	1.6
87.00875	0.6
89.02438	0.2
93.03456	2.4
96.96004	100.0
96.96884	3.0
97.95947	0.3
101.02424	0.2
107.01340	0.2
109.02947	0.9
111.04517	0.6
119.05039	0.4
121.02953	0.9
125.02391	0.3
127.04005	0.6
133.02945	1.4
135.03613	0.2
135.04517	1.1
137.02438	0.9
151.00424	0.5
159.91603	0.2
161.02428	5.1
163.04057	0.3
172.05257	0.2
173.04568	1.8
175.03917	0.2
176.04826	0.2
177.01956	0.3
179.03511	0.5
187.03995	0.3
189.01976	0.2
190.02608	0.3
191.05592	13.7
192.06058	0.6
203.07217	0.2
205.05061	0.4
243.63490	0.2
271.06125	0.8
299.13132	0.2
311.12967	0.3
323.07733	0.7
327.15930	0.3
329.13803	0.2
341.13876	0.3
353.09512	0.3
353.13965	0.5
359.18567	0.6
371.14954	0.5
377.19226	0.2
385.12598	0.3
400.71661	0.2
403.17651	2.8
475.12372	0.5
563.21564	0.3
572.73364	0.2
595.16199	0.7
595.26862	1.7
596.24573	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.2395
Annotation	Unknow
Peak:m/z	Relative Intensity
50.32262	0.3
55.91920	0.4
59.01122	0.3
59.01367	1.8
60.99286	0.4
61.83809	0.3
61.98838	0.8
62.47715	0.4
64.84723	0.3
67.01880	0.7
69.03448	0.5
69.30959	2.4
71.01376	1.6
78.43543	0.3
79.95761	0.4
81.03436	0.6
83.05016	0.5
84.42139	0.3
85.02947	11.3
85.13890	0.3
85.36105	0.3
87.00870	2.5
88.98777	1.7
93.03460	5.3
96.96007	2.2
99.04493	0.7
109.02934	1.1
111.04514	1.8
113.02494	0.5
121.02982	0.4
125.02479	0.4
127.04007	3.4
133.02968	0.5
137.02432	0.7
145.01701	0.4
155.03526	0.6
159.04425	0.6
161.02434	0.9
165.08888	0.3
171.02983	1.2
172.05290	1.3
173.04526	2.9
174.03227	1.0
179.03465	0.4
185.06088	0.3
187.03992	2.9
191.05602	100.0
192.05914	2.4
198.06810	0.3
199.03992	3.2
200.04791	2.4
201.05507	0.9
202.06384	1.2
213.05547	1.4
215.06990	0.4
217.05074	0.4
227.03429	2.4
228.04276	1.4
232.03699	1.0
238.06415	0.4
242.05807	0.8
255.13864	0.5
283.13391	4.6
299.12982	2.0
301.14456	1.2
309.14883	1.7
311.12888	6.1
316.13199	0.5
317.13797	2.3
325.14474	0.6
327.15982	4.8
328.16440	0.5
329.13882	5.6
330.14282	0.6
335.12891	1.3
345.16895	0.6
353.13898	9.6
359.18597	8.5
360.19040	0.5
371.14990	15.5
372.15439	1.4
377.19489	2.4
385.16455	0.9
389.16174	0.4
403.17590	56.1
404.17929	4.2
551.30414	0.4
563.21094	2.6
595.23682	3.6
596.25031	0.4
597.22833	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.2394
Annotation	Unknow
Peak:m/z	Relative Intensity
50.53962	0.4
57.03442	0.8
59.01373	5.9
60.99306	1.5
61.98829	1.8
67.01894	3.8
69.03452	1.3
70.87164	0.4
70.87509	0.7
71.01378	2.7
72.10632	0.4
72.99306	0.8
73.02953	0.6
81.03446	1.5
83.05021	1.2
84.22458	0.3
85.02948	11.5
87.00874	8.7
88.98808	0.5
93.03454	31.6
93.96264	0.3
94.03801	0.5
96.96005	1.6
97.60855	0.3
99.00893	0.6
99.04508	0.8
101.02448	0.7
108.02179	1.3
109.02935	3.0
111.04520	3.5
113.02374	0.4
115.03997	0.5
121.02930	1.3
122.03761	0.9
123.04501	0.8
127.03984	2.1
129.01964	0.8
134.03751	1.4
135.04492	2.4
137.02435	1.5
143.03423	0.4
146.03674	0.5
152.01170	0.6
153.01933	0.4
155.03514	1.6
159.04503	1.1
161.02368	0.7
163.03986	0.5
171.03027	0.8
172.05261	0.5
173.04567	9.2
173.05991	1.0
174.03262	0.8
174.04695	0.4
174.06825	2.1
175.53773	0.4
177.01935	0.5
179.03462	0.5
186.06837	0.5
187.03967	2.7
187.07614	1.0
188.04767	0.7
191.05602	100.0
192.05992	2.2
197.06055	0.9
198.06715	0.9
200.04744	0.5
201.05493	1.0
202.02576	0.6
205.12329	1.2
215.07071	0.5
231.06898	1.2
231.57169	0.9
232.06796	0.6
249.11467	0.3
299.16504	7.1
300.16919	0.5
309.14917	4.0
317.17538	3.7
318.17914	0.4
325.14380	0.6
327.15976	4.7
345.17099	2.2
353.13828	1.8
371.14954	15.2
372.15302	1.1
377.19766	1.6
385.16376	0.8
389.15710	0.4
400.16528	0.5
403.17383	2.0
535.22217	0.3
545.20215	1.1
546.20959	0.5
563.21332	8.2
564.21252	0.7
577.23145	2.0
578.23438	0.4
595.23907	51.4
596.24097	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.2401
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	1.5
59.01375	9.9
60.99305	1.6
61.98830	9.8
67.01888	5.6
69.03459	1.2
71.01384	4.9
71.62016	0.6
72.99306	1.0
73.02937	0.9
81.03461	1.2
83.01427	0.7
83.05034	1.6
85.02946	8.1
87.00871	8.4
88.98792	1.2
89.02432	0.9
93.03450	33.1
94.03796	0.8
96.95994	3.8
99.00866	1.0
99.04498	0.7
101.02444	1.5
109.02957	2.8
111.00900	0.5
111.04505	5.4
113.02461	1.7
121.02911	0.9
122.03699	0.5
123.04556	0.5
123.78009	0.4
125.02440	1.1
126.19881	0.4
127.04012	2.1
129.01936	0.8
132.02171	0.9
133.02959	3.4
134.03752	3.8
135.04518	10.8
137.02431	2.5
146.03720	0.7
147.04454	0.8
149.02454	0.6
150.03209	0.7
151.04036	1.1
155.03494	2.0
159.04530	1.0
160.01685	1.5
161.02454	3.8
163.04002	0.8
165.01872	0.5
171.03018	0.5
172.05310	0.6
173.04532	22.3
174.03186	1.9
174.04779	0.9
174.06781	1.2
175.03973	0.4
177.01868	1.0
178.02737	1.1
179.03505	3.9
184.05217	0.5
186.06735	0.6
187.04012	1.7
187.07643	1.4
188.04688	0.5
191.05594	100.0
192.05923	2.5
197.06068	0.6
198.06847	0.5
201.05574	0.6
202.06335	0.4
209.11716	0.7
211.13376	1.8
215.05432	0.5
215.07205	0.6
227.03403	0.5
228.04202	0.6
231.06908	1.1
232.07162	0.6
271.06180	0.6
283.02554	0.5
283.13339	0.9
299.16498	3.7
308.08920	0.5
309.14905	4.4
317.17514	1.7
327.15973	11.3
328.16269	0.9
345.17059	4.9
351.07361	2.3
352.07974	1.2
353.13937	1.7
371.14954	18.0
372.15137	1.4
377.19897	2.0
385.16605	0.7
389.16016	1.0
403.17896	0.7
421.18716	0.5
427.89899	0.5
490.34756	1.5
491.34799	1.6
509.35724	1.2
535.31494	1.7
545.20404	0.9
553.32330	1.4
557.64697	0.5
563.21277	23.9
564.21777	2.4
577.22876	2.9
595.23895	28.7
596.24304	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	595.2031
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	1.1
58.00578	1.3
59.01376	33.2
61.98832	1.7
65.57434	0.9
67.01899	1.0
69.24530	8.6
71.01375	20.9
71.09921	0.8
72.99288	1.6
73.02976	1.8
79.95731	2.2
81.03473	1.0
83.01380	1.9
85.02949	6.8
87.00878	2.1
89.02444	15.9
89.11903	0.9
93.03455	6.3
95.01387	2.0
96.96005	60.7
97.02941	1.6
99.00903	1.2
101.02437	10.8
108.02155	1.0
109.02952	2.9
111.00897	1.5
111.04523	1.3
113.02418	7.4
119.03470	7.8
119.05084	1.1
121.02939	1.2
123.00866	2.9
123.04535	2.1
125.02454	2.8
131.05002	1.3
133.02968	2.1
135.04510	13.7
136.04817	1.7
137.02435	4.6
138.03186	1.3
139.00381	2.6
141.39520	0.9
143.03522	1.2
146.03723	0.8
147.04527	1.4
151.00371	4.1
151.03990	24.2
153.01909	6.3
154.02541	1.1
158.03644	3.3
159.04459	2.8
160.05324	4.5
161.02402	8.1
165.01897	0.9
166.02711	14.4
167.03485	2.7
173.04543	11.6
173.06071	4.8
174.03204	2.4
175.03923	8.7
175.05292	0.9
175.07510	4.4
177.01892	2.1
179.03467	15.3
180.03981	0.8
181.05064	26.4
182.05440	0.9
183.10278	1.8
187.04039	1.7
188.04796	2.1
189.01978	1.6
189.05602	1.5
190.06351	5.9
191.05574	20.8
192.05933	1.2
193.61409	0.9
197.11896	1.5
201.01894	1.6
201.05649	1.5
202.02667	3.3
202.06413	1.4
203.03471	9.8
203.07126	2.1
204.04163	1.7
205.08630	6.4
217.05038	5.9
218.05818	10.7
219.06734	1.0
233.08157	16.2
241.05087	1.1
263.69012	1.1
281.04443	1.7
297.03854	1.1
309.04089	1.7
310.08301	1.1
323.05725	1.0
324.06586	2.0
339.08624	3.5
341.06668	1.8
353.08795	6.5
354.11075	1.6
355.08139	6.0
356.08841	1.1
370.10483	4.5
371.10202	0.9
385.12906	33.5
386.13077	1.6
397.12958	3.7
398.87320	0.9
403.13611	1.3
415.13882	13.9
456.12387	1.0
457.12592	1.6
508.59509	0.8
515.11792	2.2
595.20331	100.0
596.20575	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	595.2027
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01850	0.9
58.00592	1.6
59.01375	31.7
61.98809	1.1
68.67017	0.7
69.03437	0.9
71.01375	20.3
71.62436	1.6
72.99287	1.9
73.02972	1.2
73.10338	0.8
83.01395	1.4
85.02944	5.1
87.00866	2.3
87.07133	0.8
89.02438	13.8
93.03442	2.9
95.01351	2.2
96.95996	5.5
101.02437	10.7
109.02914	1.8
111.00854	1.2
113.02457	6.9
115.03986	0.8
119.03498	4.9
123.00854	2.0
124.01616	0.9
125.02441	1.2
127.43903	0.8
133.02962	2.0
135.04533	6.9
136.98795	1.1
137.02440	4.3
138.02908	1.0
139.00363	2.9
139.04053	0.8
143.04773	0.8
147.04507	2.2
150.94852	0.8
151.00362	10.5
151.03955	7.8
152.01094	1.4
153.01915	5.0
153.05569	0.9
153.99092	0.9
158.03789	1.3
159.04504	2.7
159.47586	0.8
160.05214	1.3
161.02431	3.3
165.01949	1.3
166.02684	22.9
167.03432	1.8
173.04539	2.2
173.05969	1.5
174.03204	1.3
175.03990	5.3
175.07596	2.0
178.02635	0.9
179.03500	5.2
179.05647	0.9
181.05049	32.8
182.05385	1.2
185.02477	0.8
187.04037	1.9
189.05524	1.1
190.06294	1.8
191.03824	1.2
191.05594	12.0
192.05977	1.3
193.05040	2.1
201.01859	1.2
202.02795	0.9
203.03467	12.7
204.04135	1.1
205.08752	2.0
217.05006	3.5
218.05835	13.8
219.06485	1.7
229.01466	1.0
233.08157	25.5
234.08427	1.0
236.06754	0.9
238.06190	0.8
270.17624	0.8
280.03925	1.3
307.05984	1.4
323.05658	0.9
324.06152	1.1
325.03470	1.0
338.07953	1.5
339.08554	2.1
340.09286	0.9
353.08624	4.6
355.08133	5.8
367.08258	1.3
370.10553	3.4
385.08487	1.8
385.12888	17.1
386.13303	1.5
397.12888	5.8
400.11499	0.8
415.13928	13.4
419.13339	0.9
457.13211	1.7
535.27368	2.2
553.28180	1.3
559.19971	1.0
580.18219	1.6
595.20313	100.0
596.20874	10.4
608.08624	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.1664
Annotation	Unknow
Peak:m/z	Relative Intensity
52.05006	0.2
59.01143	0.2
59.01383	2.6
61.98822	0.7
65.00318	1.2
69.03432	0.3
71.01382	1.6
72.99290	0.4
75.31577	0.2
81.03482	0.3
83.01382	0.4
85.02944	2.6
87.00880	0.7
89.02448	0.7
91.01888	9.1
93.03455	2.5
95.01367	0.3
96.96000	1.3
108.02153	2.9
109.02921	0.8
111.00875	0.8
111.04510	0.4
119.01356	0.3
121.02966	1.4
123.00890	0.5
123.04516	26.5
124.01642	0.9
124.04829	0.8
125.02393	0.6
127.03988	0.7
133.02928	0.6
135.04526	0.4
137.02432	0.9
139.00397	0.4
151.03996	8.5
152.01137	2.7
159.04494	0.4
161.02477	1.1
167.03477	100.0
167.73315	0.2
168.03825	2.8
168.64153	0.2
172.05341	0.3
173.04614	1.3
173.05943	0.3
177.01997	0.3
179.03493	0.3
187.03938	0.9
191.05586	22.9
192.05936	1.0
199.03944	0.6
200.04752	0.7
201.05490	0.3
202.06381	0.4
209.04550	1.0
213.05649	0.3
227.03491	0.4
228.04108	0.3
232.03598	0.3
283.13354	1.0
299.12915	0.5
301.14618	0.4
309.14813	0.3
311.12955	1.3
317.13846	0.5
327.15964	1.7
329.13925	1.1
335.13016	0.4
345.17184	0.4
353.13870	2.2
359.18680	1.9
371.14975	3.6
377.19662	0.8
383.09631	0.4
389.16089	0.3
403.17557	12.1
404.18048	0.7
443.11884	9.8
444.12384	0.8
563.21423	0.4
595.16351	1.2
595.25909	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.1662
Annotation	6,8-Di-C-glucopyranosylnaringenin
Peak:m/z	Relative Intensity
58.53008	0.8
65.00340	1.0
69.03445	1.1
70.35751	2.2
71.01385	1.1
73.02956	0.8
79.01889	1.5
81.03430	2.4
83.01385	3.9
85.02956	1.5
85.64983	0.8
92.16401	0.8
93.03444	8.8
95.01408	1.6
95.05023	1.5
96.95992	2.0
97.02926	3.6
98.19999	0.9
100.44129	0.8
107.01366	5.4
107.05017	1.2
109.02931	3.5
111.00834	1.1
111.04529	2.3
113.02441	1.4
113.03510	1.4
114.01976	0.9
117.03418	1.6
119.05016	36.5
120.05323	1.0
121.02926	3.0
123.00893	1.7
123.04527	3.1
125.02413	7.0
131.04628	2.0
135.04504	3.4
136.01704	0.8
137.02426	3.0
139.03990	6.8
143.04999	4.7
145.02940	7.5
147.04486	1.8
149.02455	4.3
150.03226	1.8
151.00349	3.4
151.03979	1.9
155.03542	1.3
159.04446	0.9
161.02438	0.9
161.06046	2.8
161.83925	0.7
163.00342	3.8
163.03996	4.0
165.01884	4.3
165.05510	1.1
167.03474	9.1
177.01904	5.3
177.05563	1.1
178.02658	1.6
179.03496	3.4
185.06018	0.9
187.03966	5.4
189.01752	0.9
191.03474	3.7
191.05565	6.6
193.01375	9.2
197.04515	3.5
199.03897	1.6
199.07588	1.8
204.00571	1.0
205.01410	8.8
205.05048	1.8
207.02917	3.5
209.04527	4.2
219.02933	3.2
220.03561	1.1
221.04501	1.7
223.02457	2.0
227.07104	3.3
231.24519	0.8
233.04491	1.3
235.02469	12.6
239.05345	2.2
243.06609	1.0
247.02345	1.5
249.04008	2.8
261.04117	1.7
265.03531	6.9
269.08337	1.2
271.06110	3.5
283.06204	1.3
283.09558	0.8
285.07547	0.9
295.09677	0.9
313.07153	15.8
314.07440	0.9
325.07047	5.5
327.08862	1.2
339.08856	1.4
343.08047	5.8
355.08173	80.0
356.08389	5.9
367.08267	4.8
385.09232	62.4
386.09604	4.5
397.09048	4.0
415.10284	18.6
416.10388	1.4
427.10278	1.6
457.11234	6.1
463.16199	1.3
475.12399	37.9
476.12610	3.0
487.12274	6.3
505.13550	7.5
577.15533	3.6
595.16608	100.0
596.16986	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	595.1305
Annotation	Tricetin 6-C-arabinoside-8-C-glucoside
Peak:m/z	Relative Intensity
60.81416	0.7
70.50720	1.8
71.01380	2.0
74.22159	0.7
75.37656	0.6
80.44885	0.6
81.03432	0.7
83.01366	1.5
85.02930	2.1
93.03456	8.0
95.01382	3.2
96.95997	4.0
97.02921	1.8
99.00869	17.1
101.02381	0.8
107.01394	0.8
107.05038	1.1
108.02173	0.9
109.02927	2.0
111.00847	2.3
111.04486	1.0
113.03542	1.0
117.03471	4.7
119.05032	3.8
119.36906	0.7
121.02923	1.5
123.00859	0.7
123.04494	2.2
125.02389	2.5
131.04585	1.6
133.02951	1.1
135.00899	0.9
135.04506	2.4
137.02429	5.2
139.00330	2.6
139.03972	1.2
141.01938	1.3
145.02954	0.9
147.04492	1.6
149.02437	0.9
149.06084	0.8
150.03172	1.3
151.00354	1.4
151.03964	1.8
153.01865	0.8
155.03508	4.4
157.06493	0.8
161.02437	5.4
163.00348	1.1
163.03975	1.6
165.01865	2.4
165.05580	0.9
167.03464	2.0
173.04494	1.2
175.03935	1.0
177.01868	2.6
177.05583	0.8
178.02678	0.9
179.03488	4.2
181.01443	3.2
187.03998	1.2
189.01881	1.0
189.03992	1.5
191.03484	2.3
191.05582	16.7
192.05946	1.4
193.01370	2.2
193.04919	0.8
195.02905	2.8
201.05534	1.0
203.03384	1.1
205.01387	2.2
207.02930	2.7
209.04536	1.0
213.09155	1.3
219.02965	1.1
221.04515	1.7
223.02440	6.0
229.01469	3.2
233.04559	0.7
235.02483	3.2
236.03224	1.0
237.03979	1.2
243.06673	0.8
247.02361	1.0
253.03275	1.0
257.04477	2.5
263.01996	1.8
265.03555	4.9
271.06226	0.8
275.05438	1.2
285.04080	2.6
291.01489	1.3
295.04568	2.8
297.03876	1.9
299.05411	2.8
313.07059	1.3
315.05161	0.8
321.02411	1.0
327.05072	7.9
329.06247	0.8
343.04535	1.5
355.08255	5.6
357.06079	4.9
385.04874	5.7
385.09241	4.0
397.05338	1.0
415.06189	4.5
447.09134	0.8
463.15970	1.1
475.08319	14.8
476.08688	1.3
505.09647	5.2
537.96741	0.8
539.64355	0.8
577.12122	0.9
595.12933	100.0
596.13287	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	594.3643
Annotation	Unknow
Peak:m/z	Relative Intensity
51.58929	0.4
59.01373	1.5
61.98825	100.0
75.00866	8.2
76.29964	0.3
78.95913	2.5
108.02142	0.4
113.11576	0.3
123.11548	0.4
132.54713	0.4
152.99544	3.2
209.11900	0.6
211.52499	0.3
241.01205	0.8
277.21722	0.4
279.23373	3.4
299.07553	0.4
314.07806	0.4
315.04956	0.6
454.39771	0.3
460.56549	0.3
595.28674	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	595.13
Annotation	Tricetin 6-C-arabinoside-8-C-glucoside
Peak:m/z	Relative Intensity
52.76861	0.5
56.82510	0.6
59.01352	0.7
62.33002	0.5
65.03971	0.5
69.03413	0.6
69.47988	3.0
69.48392	1.4
71.01355	1.1
75.00877	0.5
81.03440	1.2
83.01362	1.6
85.02926	1.7
87.00855	0.6
93.03447	8.0
95.01378	3.5
96.96001	2.7
97.02937	1.4
98.19897	1.2
99.00248	1.0
99.00868	17.7
107.05009	1.1
108.02201	0.6
109.02950	2.6
111.00855	2.2
111.04541	0.8
113.03527	1.8
114.01943	1.7
114.80695	0.5
117.03443	3.8
119.04987	2.0
121.02937	1.3
123.00859	0.8
123.04463	1.2
125.02444	2.0
131.04605	4.2
133.02962	0.8
135.04509	2.7
137.02457	4.1
139.00328	3.8
139.03986	0.7
141.01910	1.3
143.48409	0.6
145.02959	0.6
147.04543	1.5
149.02377	1.5
151.00366	0.5
151.03989	1.7
153.01892	0.8
155.03513	3.9
157.06557	0.6
159.04509	1.2
161.02457	5.7
163.00325	1.8
163.03983	1.9
165.01868	1.9
167.03470	1.7
169.06685	0.6
173.04460	1.4
175.03903	1.5
177.01898	2.6
177.05528	0.7
178.02437	0.6
179.03494	3.2
181.01320	2.5
185.06009	1.2
189.01746	0.6
191.03549	2.0
191.05585	20.7
191.45100	0.7
192.05873	0.7
193.01344	1.2
193.04930	0.9
195.02956	2.3
197.04495	0.8
200.15501	0.5
201.05519	1.0
203.03532	0.8
205.01347	2.6
207.02953	3.7
209.04437	0.9
213.05608	1.4
213.09184	0.7
215.03441	0.8
217.01251	0.6
217.05095	1.1
219.02901	1.7
221.04517	1.4
223.02432	4.8
229.01399	1.7
229.05067	1.2
233.00774	0.7
235.02435	2.4
236.03192	1.2
237.03954	1.3
239.07259	0.7
241.05075	0.8
243.02951	0.8
243.24037	0.6
245.04393	0.8
247.02458	0.7
251.05537	0.7
253.03458	1.4
256.03867	0.6
257.04498	2.6
263.01944	1.3
265.03436	4.4
269.04492	0.7
271.06076	1.2
275.05453	0.7
277.03543	0.8
283.02365	0.6
283.05951	0.8
284.02954	0.8
285.03970	4.1
289.10840	0.7
291.01300	0.8
295.04431	2.9
297.03995	1.9
299.05331	3.4
311.05548	0.8
313.06735	1.2
321.02493	1.2
326.06299	0.8
327.05008	11.2
328.05338	0.8
329.06668	0.8
339.05115	1.2
341.06366	0.8
342.03659	1.0
343.04587	0.8
355.08017	2.7
357.06097	8.0
365.08798	0.5
367.04373	1.0
369.05905	0.9
381.04965	0.7
385.05124	5.6
385.09726	1.1
397.05316	0.7
415.06485	4.6
447.09171	1.2
463.16046	2.9
475.08652	18.9
476.09033	2.3
505.09689	6.4
506.10388	0.7
577.11621	1.1
595.12927	100.0
596.13257	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	594.3406
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	21.8
60.62083	1.0
61.98832	7.9
66.90933	0.9
70.57059	2.7
70.57423	1.0
71.01383	2.4
72.99282	0.9
76.52512	1.0
78.95896	9.4
78.98579	2.1
79.95731	11.5
80.96064	1.6
80.96507	19.2
81.03438	0.9
82.96102	1.2
85.02910	1.3
87.00877	1.3
89.21923	0.7
93.03467	2.3
94.98071	4.8
96.96016	2.2
101.02409	1.0
102.13123	0.9
112.95415	0.8
113.09702	2.2
122.97585	2.0
125.02422	1.6
137.02443	1.5
148.99184	1.5
152.99579	3.4
161.02452	1.2
164.98607	1.8
168.04326	3.0
173.04500	1.4
179.14403	1.1
191.05612	4.7
195.12057	1.1
195.13890	22.2
196.14226	1.2
209.11861	2.2
224.06924	1.4
225.00815	4.9
226.01001	1.4
241.00128	1.9
242.07988	3.7
277.21704	18.9
278.22034	1.2
295.22757	100.0
296.23114	6.0
299.04224	1.2
300.35269	0.9
341.05960	1.1
347.38754	0.8
449.23151	3.0
520.30389	93.1
521.30676	7.8
547.86536	0.8
594.26678	46.7
595.25983	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	594.1462
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	0.4
59.01381	4.5
61.98826	7.2
66.86103	0.5
69.03450	0.5
71.01377	4.2
71.62372	0.4
72.99311	0.8
73.02958	1.1
79.95732	3.1
82.42389	0.4
82.95409	0.9
85.02958	2.3
87.00870	0.7
89.02451	2.3
91.05540	0.4
93.03453	2.9
95.95238	0.7
96.96007	36.7
97.02926	0.4
98.95585	0.7
99.00880	1.1
101.02448	1.5
105.03469	0.5
107.05018	1.4
108.02169	11.0
109.02955	1.2
111.04484	0.6
113.02448	0.8
114.01997	0.4
117.03479	0.7
121.02952	8.6
123.04520	1.0
125.02444	3.0
127.04001	0.5
128.03484	0.4
131.04640	0.8
132.02153	0.6
132.03046	0.7
133.02049	0.4
133.02945	14.5
134.03740	5.7
135.04523	78.8
136.04852	2.4
136.63191	0.4
137.02426	3.4
138.01965	66.7
139.02306	1.2
146.04616	0.5
149.02457	1.7
149.69588	0.4
150.03175	0.9
151.03941	1.2
159.04480	1.0
160.01711	0.6
161.02434	42.0
162.02788	1.6
164.04688	0.7
173.04533	3.8
175.00352	0.8
177.01910	0.9
177.05583	0.9
178.02693	1.6
179.03490	54.8
180.03873	2.5
190.02684	1.9
191.03087	0.7
191.05602	13.6
191.07352	0.7
192.05965	1.1
203.03500	0.7
203.07173	0.5
205.05055	1.7
206.05418	0.9
207.06580	0.6
221.04518	4.4
223.06073	1.6
226.46863	0.4
231.06947	18.2
231.57101	4.7
232.06976	0.7
239.06699	6.4
239.56868	1.5
240.06766	0.6
245.04549	0.5
251.05717	2.0
265.07126	0.5
283.13516	0.6
285.91864	0.5
289.07144	0.5
293.06638	2.5
311.07736	2.2
328.02295	0.5
352.08221	0.4
353.08768	15.0
353.13306	0.8
354.09106	1.4
365.17850	10.6
366.18182	1.6
381.17432	0.6
383.18781	1.4
385.12839	0.6
395.09665	3.0
399.18417	5.0
400.18808	1.4
403.17624	1.5
437.10913	0.8
455.11908	100.0
456.12280	6.8
531.29187	0.8
551.30542	0.9
593.25952	0.6
594.19263	0.7
594.26257	2.9
595.15698	0.4
595.26471	0.7
612.80713	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.2725
Annotation	Unknow
Peak:m/z	Relative Intensity
52.07000	0.7
58.60334	0.7
59.01363	2.1
61.98816	3.2
64.52197	0.7
69.57785	3.1
69.58194	1.5
71.01353	0.9
78.95899	55.2
96.95985	1.6
96.96957	11.1
108.02161	1.8
113.86189	0.7
121.02963	0.9
121.10433	0.6
139.31560	0.8
150.98003	1.5
152.01144	1.7
152.99576	75.6
153.99884	1.2
162.83876	1.0
171.00615	2.5
185.46468	0.7
211.46687	0.7
211.69443	0.7
220.89149	0.8
223.00081	9.2
241.01152	22.2
259.02271	1.2
277.21695	42.1
278.21973	2.5
284.02878	0.7
299.07629	1.3
301.08267	0.9
315.04877	13.2
333.05914	1.0
336.88791	0.6
445.83163	0.7
519.28998	1.0
535.63324	0.7
593.27246	100.0
594.27539	10.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.3541
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	1.0
57.03444	2.5
59.01376	100.0
60.01705	0.9
61.98827	2.3
69.03458	0.7
71.01386	16.2
72.99310	1.9
73.02943	5.2
83.01406	2.6
85.02943	9.5
87.00890	1.7
89.02465	2.6
93.03479	2.7
95.01389	1.5
96.96016	3.0
97.02952	1.4
99.00893	2.1
101.02445	8.7
109.02988	1.6
111.00888	0.9
113.02448	10.0
119.03528	0.7
121.02950	1.7
125.02479	1.7
133.02982	1.9
135.04507	1.8
137.02460	2.1
143.03513	1.3
151.03836	0.6
159.03040	0.8
161.02460	3.6
161.04597	2.8
165.01978	0.9
166.28041	0.6
167.38635	0.6
173.04543	3.2
179.03584	1.0
188.68016	0.6
191.05608	8.3
191.50571	0.6
192.05978	1.1
202.43010	0.7
231.06900	2.8
231.57117	0.7
253.15965	0.7
299.25949	1.8
345.30017	4.4
353.58542	0.6
489.34302	66.3
490.34653	7.6
507.35373	27.3
508.35754	3.1
525.44696	0.7
530.28149	0.7
549.36865	8.2
550.36804	1.3
593.27142	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	593.2635
Annotation	Isochondrodendrine
Peak:m/z	Relative Intensity
56.02927	0.3
59.01370	1.2
61.22802	0.3
61.98827	17.3
62.46967	0.3
63.96227	0.7
66.93010	0.2
67.84121	0.3
69.03465	0.4
69.88011	1.5
71.01001	0.3
71.01380	5.1
73.02944	1.3
75.20049	0.3
78.98585	4.2
79.95049	0.4
79.95736	30.9
80.96513	48.1
81.03446	0.6
85.02970	2.5
87.00875	1.9
89.02461	0.3
92.69155	0.3
94.98083	11.4
95.01400	0.3
96.96004	1.7
97.02957	1.0
101.02454	2.0
106.98087	2.0
113.87492	0.3
121.02925	0.6
122.97579	2.8
125.02455	2.5
127.03983	0.7
133.02910	0.3
134.97568	3.8
136.99155	1.8
137.02406	0.5
140.89185	0.3
148.99123	4.3
152.98624	4.2
161.04567	1.0
164.97278	0.6
164.98631	9.8
165.01950	0.4
167.00179	0.4
188.98647	0.5
191.05573	0.8
195.13890	0.5
206.99620	2.3
225.00734	13.4
241.00227	1.8
270.26834	0.3
275.57468	0.3
293.21198	0.7
299.04352	2.2
315.03802	0.9
341.05710	0.6
371.06598	2.4
385.08105	1.5
399.09689	1.6
413.11234	1.3
427.12744	0.8
441.14249	1.0
455.15994	2.3
481.17282	0.7
495.19022	2.2
520.30176	0.4
523.18573	0.8
524.19501	0.7
593.26331	100.0
594.26611	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	593.263
Annotation	Isochondrodendrine
Peak:m/z	Relative Intensity
57.03439	0.7
59.01377	4.2
61.98822	1.1
62.01767	0.5
63.78861	0.5
63.96220	1.4
64.01683	0.5
68.37494	0.5
69.03419	0.6
69.67964	3.5
71.01369	6.2
73.02956	1.2
78.95916	0.6
78.98573	4.5
79.95741	9.3
80.96512	53.5
85.02938	2.4
87.00874	1.5
94.98089	12.8
95.01430	0.6
96.95994	1.3
97.02908	0.9
99.00864	0.7
101.02419	1.5
106.98062	2.2
109.32826	0.5
112.71978	0.5
113.09703	0.7
118.70062	0.5
120.31807	0.5
121.02956	2.9
122.97548	2.6
125.02433	2.5
127.03959	0.8
134.97571	3.8
136.99107	0.8
144.62277	0.6
146.97607	0.6
148.99152	4.9
152.98634	4.1
154.04735	0.5
157.66727	0.5
162.02713	0.5
164.98615	10.7
170.14218	0.6
179.21776	0.5
191.05595	0.9
206.99683	2.4
219.46909	0.6
225.00716	13.6
248.60522	0.5
293.21252	2.6
299.04321	3.4
341.06616	0.7
393.42209	0.6
593.26312	100.0
594.26520	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	593.2448
Annotation	Unknow
Peak:m/z	Relative Intensity
50.87150	0.5
57.03434	0.6
59.01378	10.7
60.99305	15.0
61.98835	4.3
67.01853	0.7
71.01378	6.9
71.61945	0.6
72.99316	1.1
73.02939	5.2
75.00877	1.3
78.95905	3.0
79.95735	3.2
83.01377	1.7
85.02941	3.3
87.00884	1.8
88.00375	0.7
88.98804	100.0
89.02442	4.9
89.99147	0.8
93.03455	4.2
95.01387	0.5
96.96008	100.0
96.96887	3.9
101.02431	4.8
101.19099	0.6
108.02129	0.7
109.02966	2.9
111.04535	0.9
113.02428	4.0
114.58466	0.5
117.03394	0.7
119.03500	0.9
119.05003	0.7
121.02946	1.2
123.04507	1.0
125.02435	2.2
133.02954	2.1
134.03746	0.8
135.04518	7.1
137.02509	3.3
145.02853	0.7
147.04466	0.6
149.04604	0.8
150.03131	0.7
151.04039	1.4
152.01105	0.7
153.01949	2.5
161.02464	5.2
161.04590	2.0
163.04051	1.0
164.11053	0.6
173.04533	2.7
173.05933	1.0
175.03992	1.4
177.01968	1.3
179.03471	3.7
191.05595	14.1
192.05966	1.1
204.06683	0.5
205.05096	1.0
220.07350	1.0
231.10435	0.6
241.05177	0.6
285.04184	0.6
289.07217	1.4
296.06827	0.8
311.09146	1.2
371.14951	6.5
429.10425	1.2
447.11728	1.2
455.12347	0.9
503.25024	1.1
533.20325	1.5
549.29810	0.6
551.21216	0.7
593.17334	2.7
593.27271	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.1873
Annotation	Unknow
Peak:m/z	Relative Intensity
53.28830	0.7
55.01847	1.6
57.03422	1.7
59.01377	16.2
60.42323	0.8
69.58243	5.5
71.01377	23.0
72.99294	1.2
73.02937	6.9
79.95702	0.8
83.01369	2.7
85.02941	9.4
87.00856	2.0
88.98781	1.2
89.02437	10.3
93.03468	4.3
95.01360	1.7
96.96006	7.0
99.00893	4.6
101.02436	16.8
107.04980	2.0
108.02151	0.8
109.02934	2.1
113.02450	7.7
117.03471	1.1
119.03482	2.2
119.05007	1.7
125.02446	2.2
132.02135	1.3
133.02953	18.7
134.03752	8.6
135.04521	100.0
136.04843	2.8
137.02435	15.1
143.03487	2.0
149.04526	1.2
151.04137	1.1
153.01953	1.7
159.03026	1.7
159.04456	1.0
161.02440	56.9
161.04410	5.3
162.02803	2.1
173.04605	2.1
177.01855	1.1
179.03488	58.3
180.03880	1.8
185.06015	1.0
187.04041	1.7
191.05597	12.8
191.07146	1.2
193.04980	1.0
211.03963	1.6
213.05536	0.8
215.72205	0.8
227.03467	11.9
229.05031	4.8
239.03537	1.0
255.02963	21.8
256.03644	2.7
257.04581	2.9
284.03238	23.7
285.04019	38.5
286.04422	2.1
353.08600	1.2
371.20694	10.4
389.15808	0.8
455.11948	4.0
533.26050	50.0
534.27002	2.8
537.03351	0.8
582.32556	1.1
593.18719	73.0
594.19293	8.6
605.99011	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.1509
Annotation	Datiscin
Peak:m/z	Relative Intensity
52.02858	0.6
59.01383	1.6
61.98814	0.8
62.75209	0.5
69.29069	4.5
71.01378	1.8
72.99310	1.3
73.02940	0.5
74.92373	0.4
81.03448	0.5
83.01405	0.5
84.89344	0.5
85.02955	1.4
87.00849	0.6
88.98825	0.5
89.02437	1.2
90.14211	0.5
91.01910	1.9
93.03461	2.2
93.47819	0.5
96.96008	6.7
98.20667	1.1
99.00910	1.1
101.02450	0.8
108.02146	2.6
109.02945	92.4
110.03307	1.4
111.04476	0.6
113.02417	0.6
117.03459	0.5
119.05020	51.5
120.05356	1.9
121.02946	0.6
122.02475	0.6
125.02452	0.6
129.60472	0.5
133.02971	1.9
135.04520	3.2
137.02441	2.0
145.02913	0.6
147.04509	0.6
150.01266	0.5
152.01183	0.5
153.01929	100.0
154.02293	2.2
161.02466	5.6
161.04462	0.6
161.06122	0.6
163.03999	35.3
164.04382	1.2
173.04546	0.9
179.03471	2.2
191.05600	7.1
205.04979	0.8
221.04645	0.5
255.11848	0.6
325.09424	0.7
332.15204	0.5
429.10519	0.7
431.17191	2.0
439.12411	0.6
457.13458	32.2
458.13657	3.0
542.10638	0.6
549.16699	0.7
593.14996	85.9
594.15356	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	592.3245
Annotation	Unknow
Peak:m/z	Relative Intensity
52.18324	0.7
57.03423	3.3
59.01375	19.6
61.98529	1.2
61.98829	20.4
69.26315	8.5
71.01394	0.7
77.75304	0.7
78.95894	9.8
79.95720	2.1
80.96526	7.3
84.75507	0.8
85.02973	1.0
85.06599	0.7
93.03441	1.2
94.98077	1.3
96.95998	1.5
106.98072	0.8
109.06590	1.1
113.08990	1.3
113.09726	18.9
121.02898	1.4
127.11313	0.7
139.11235	1.3
142.06482	0.8
152.99585	1.6
154.44231	0.9
158.06039	1.9
159.06230	0.8
161.02344	1.1
167.10707	3.2
168.04222	1.8
175.81731	0.9
177.12807	3.3
179.10722	2.3
179.14267	0.7
191.05568	2.5
195.13814	2.6
204.06622	3.1
209.11792	1.0
222.02251	1.3
224.06848	1.5
225.00664	1.1
242.07970	4.1
249.22177	2.6
275.20209	1.3
284.02084	0.9
293.21207	100.0
294.21567	5.1
307.22794	14.8
308.23044	1.1
518.28839	44.9
519.29126	3.1
532.30347	9.2
543.79700	1.0
592.21747	6.3
593.26453	8.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.1507
Annotation	Vicenin-2
Peak:m/z	Relative Intensity
71.01373	0.7
79.01884	0.8
79.69495	0.7
85.50790	0.6
86.43468	0.6
93.03454	0.8
98.20602	2.1
108.21448	0.6
117.03449	3.9
119.04997	0.8
135.04503	2.5
149.02443	1.6
159.04462	0.9
161.02382	2.0
161.06079	0.8
163.04039	1.1
175.04019	1.1
177.01895	0.9
177.05534	1.0
189.01987	0.8
191.03761	0.6
191.05618	3.9
203.03444	1.4
224.08409	1.0
247.06395	6.8
247.56679	1.8
248.06393	0.7
267.06686	0.7
270.68652	0.6
282.05185	1.9
283.06073	2.4
286.09021	0.8
295.06097	4.6
296.06870	2.4
297.07672	19.9
298.07950	0.8
307.05957	1.6
309.07645	1.5
311.05533	2.2
323.05551	2.8
324.06143	1.0
325.07080	8.8
328.05719	2.7
335.05530	1.6
337.07083	2.8
353.06625	41.5
354.06906	3.5
355.08173	1.2
365.06598	4.5
383.07687	24.9
384.08060	1.9
395.07788	3.1
407.07190	0.8
413.08734	1.6
444.31586	0.7
473.10773	11.1
474.11389	0.9
503.11398	3.0
593.15063	100.0
594.15527	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	593.1511
Annotation	Tricetin 3'-rhamnosyl-(1->4)-rhamnoside
Peak:m/z	Relative Intensity
55.52692	0.8
58.03525	0.7
59.01376	12.1
61.98830	9.4
71.01385	4.0
72.99285	1.2
73.02912	1.4
79.95722	0.9
81.03434	1.3
81.88926	0.8
83.05006	1.1
85.02947	8.7
85.06593	1.4
87.00856	3.0
89.02417	1.9
93.03471	8.2
95.01377	1.2
96.96009	3.9
98.19832	1.4
101.02426	2.0
101.33450	0.9
108.02148	1.4
109.02944	5.5
110.15543	0.7
111.04516	1.9
113.02433	1.3
117.27357	0.8
121.02932	2.7
122.03699	1.3
123.04509	5.2
125.02405	2.4
127.03974	1.6
133.02917	2.8
134.03694	3.7
135.04521	5.8
137.02451	5.1
149.02383	1.4
150.03189	2.0
151.00352	1.6
151.03934	1.4
155.03529	1.2
159.04500	1.4
161.02432	10.2
165.01923	1.2
171.10223	1.0
172.05307	0.9
173.02457	0.8
173.02988	0.8
173.04559	8.5
173.05946	1.0
174.03134	1.0
175.00240	1.4
175.03946	1.4
177.01910	1.2
179.03491	3.9
183.04445	1.2
185.06003	0.9
186.03178	0.9
187.03983	1.5
190.02716	3.3
191.05611	60.5
192.05898	3.6
193.04968	2.6
197.05899	1.0
197.88828	0.8
199.03960	1.5
205.04948	3.0
207.10239	0.8
211.03970	1.1
212.04790	1.3
213.05516	0.9
215.03438	2.8
215.06944	1.0
225.05481	1.4
227.03394	2.2
228.04128	0.9
229.01276	1.6
229.05014	1.4
230.02162	1.0
236.02051	0.8
240.04225	2.5
242.02090	0.9
243.02896	3.4
255.03052	0.9
256.03595	1.2
257.04480	1.0
257.08197	1.0
258.01682	24.6
259.02432	26.8
260.02740	1.6
270.99670	1.4
271.02463	24.7
272.03229	21.4
273.03995	7.3
281.11740	2.7
283.02432	0.8
285.04031	7.0
298.01147	3.5
299.01776	0.9
299.12787	1.7
301.03513	100.0
302.03885	5.5
313.03613	6.7
325.03436	1.1
325.14236	2.0
331.04559	51.7
332.04813	2.1
351.12378	6.9
356.12692	2.1
367.04523	1.5
369.13403	23.6
370.13666	1.2
371.14716	2.8
385.05618	2.6
401.15857	2.6
403.06509	1.7
454.34430	0.9
455.11154	1.0
555.20990	1.9
572.22101	1.1
575.13922	5.1
584.22546	1.4
593.14935	44.7
593.25317	3.0
594.15192	5.0
594.24896	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.3385
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	1.7
59.01376	100.0
61.98830	10.2
65.47646	1.4
69.28300	3.6
69.28703	10.0
71.01379	23.6
72.99289	2.0
73.02933	5.6
83.01397	3.0
85.02953	10.8
87.00845	2.9
89.02419	3.7
93.03454	2.5
95.01388	2.0
95.16769	1.4
96.96003	4.2
99.00867	4.0
101.02449	10.7
106.96467	1.2
109.02929	2.4
111.00858	2.1
113.02448	12.7
123.04543	2.6
125.02454	3.1
133.02979	2.0
134.03723	2.1
135.04514	2.8
137.02434	1.7
143.03485	1.7
156.78818	1.5
161.02403	4.1
161.04547	7.0
167.03473	3.9
171.10217	3.2
171.13905	2.7
173.04538	2.8
191.04039	1.5
191.05626	10.1
193.05098	1.5
209.11710	1.3
231.06990	1.7
271.04550	1.7
315.18042	1.4
333.19263	1.7
341.96307	1.5
379.04138	1.4
463.13922	1.5
487.32736	58.8
488.33102	6.7
505.33734	20.4
506.33954	1.9
532.53265	1.5
547.35083	6.8
591.28174	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	591.3381
Annotation	Unknow
Peak:m/z	Relative Intensity
55.34730	1.1
57.03416	1.7
59.01377	100.0
71.01379	18.0
71.38899	1.4
73.02936	5.0
73.14553	1.0
83.01376	2.4
85.02938	11.0
87.00847	1.2
89.02435	3.2
95.01369	2.1
99.00861	2.2
101.02430	10.3
104.35651	1.0
105.18934	1.0
113.02453	11.4
121.56860	1.0
123.69739	1.1
125.02407	1.4
138.77388	0.9
138.81696	1.1
143.03477	2.1
159.02956	2.0
161.04579	6.0
232.24771	1.1
343.28336	2.6
487.32751	60.9
488.32919	7.0
505.33789	27.9
506.33890	2.2
547.34900	7.3
566.17474	1.1
614.52356	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.3898
Annotation	Unknow
Peak:m/z	Relative Intensity
55.23226	0.4
56.82156	0.3
59.01376	100.0
60.01718	0.6
61.98832	1.1
63.58280	0.4
69.30521	2.2
69.30949	1.3
71.01385	1.5
72.99279	0.4
73.02952	1.7
77.98223	0.4
96.96014	0.6
100.97675	0.4
103.04010	0.6
113.03640	0.4
131.04593	0.9
144.37230	0.4
175.55745	0.4
226.85315	0.4
247.11407	0.4
310.57266	0.4
483.34918	2.6
495.34332	0.5
513.36084	1.1
531.37323	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	592.2922
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98816	0.4
64.40963	0.1
65.87732	0.1
66.89447	0.1
69.47474	0.6
69.47900	0.4
70.31255	0.2
78.95901	1.3
79.95734	2.2
96.96004	100.0
97.95959	0.2
98.72354	0.1
100.87422	0.1
111.60723	0.2
127.19791	0.1
139.98465	0.1
166.47363	0.1
191.66653	0.1
253.13673	0.1
529.30029	0.2
592.28534	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	592.2975
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	1.4
61.98828	100.0
71.01402	0.5
71.62423	0.5
79.95742	0.8
80.96513	2.7
82.96157	0.4
85.02978	0.5
94.98090	0.7
96.96036	0.5
125.02500	0.4
135.04543	0.5
191.05696	1.3
204.06711	0.6
205.62137	0.4
209.11694	0.5
222.02400	0.4
293.21356	1.6
366.87708	0.5
518.28925	1.4
592.24908	5.3
593.25061	1.2
618.42981	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.1716
Annotation	Unknow
Peak:m/z	Relative Intensity
50.96132	0.3
59.01376	2.6
60.99297	3.4
71.01383	2.6
71.62066	0.4
73.02970	0.5
75.00841	0.4
82.95415	0.5
83.01395	0.4
84.70383	0.4
84.95120	1.1
85.02939	0.7
88.98803	23.2
89.02441	3.6
91.05542	0.5
93.03455	3.8
94.23529	0.3
95.99178	0.3
96.96003	1.0
97.02958	0.4
99.00874	0.6
101.02438	0.8
107.05019	1.8
108.02146	0.9
109.02943	0.4
113.02421	0.6
117.03433	0.6
125.02415	0.9
132.02167	0.7
133.02943	12.3
134.03743	5.6
135.04514	100.0
136.04858	2.7
137.02425	0.8
137.68869	0.3
147.48181	0.3
149.04573	0.6
149.06029	0.3
161.02428	34.3
162.02777	1.2
173.04555	0.5
175.03960	0.4
177.01913	0.7
177.05519	0.8
178.02675	0.7
179.03485	44.3
180.03871	1.6
187.42366	0.3
191.05588	3.3
203.03369	0.4
205.97916	0.3
221.04578	3.3
233.82314	0.3
251.05620	0.8
293.06738	1.1
311.07669	0.7
353.08740	9.2
354.09064	0.8
358.06662	0.3
366.96756	0.3
383.09882	0.5
395.09714	2.0
399.10684	0.4
437.10815	0.4
455.11902	60.9
456.12247	4.6
531.27924	3.5
591.17023	6.2
592.17657	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.261
Annotation	Pheophorbide a
Peak:m/z	Relative Intensity
61.98835	0.7
69.31306	5.6
78.39391	0.5
170.83879	0.6
182.26852	0.5
214.88890	0.7
231.26884	0.6
273.95502	0.6
340.24301	0.6
390.81555	0.6
392.27368	0.7
443.22333	1.9
444.19958	0.7
445.19775	0.9
459.21796	1.7
471.25311	2.4
472.23022	1.2
482.21332	1.7
485.19574	1.9
487.25244	3.5
497.23721	3.8
499.21268	3.9
500.22128	11.4
501.22397	1.1
514.23737	1.0
515.24481	100.0
516.24786	12.3
559.23517	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.3227
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	0.9
59.01378	100.0
60.01700	0.9
61.98823	3.0
68.99557	3.2
69.03458	1.1
69.56687	4.4
69.57095	1.4
71.01382	17.1
73.02952	4.6
74.27870	0.8
74.77966	0.8
80.02985	0.8
82.95377	1.7
83.01389	3.0
85.02945	10.7
89.02422	3.1
93.03460	1.6
95.01412	2.2
96.96009	8.5
98.20665	1.6
99.00871	2.9
101.02438	9.9
112.98540	2.8
113.02455	9.2
125.02441	2.0
143.03455	1.8
159.02939	1.3
161.02386	1.1
161.04533	3.8
171.10280	7.8
173.04575	1.4
191.05623	3.8
191.76004	0.9
199.09787	4.1
305.25122	1.2
341.26886	1.3
385.27267	1.0
455.30194	1.1
467.30063	3.3
485.31201	33.2
486.31516	3.5
503.32178	19.1
504.32483	1.1
545.33093	3.7
589.31818	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	591.1503
Annotation	bis-8,8'-Catechinylmethane
Peak:m/z	Relative Intensity
57.03435	2.3
59.01365	3.4
66.32585	0.8
69.03465	0.9
69.30219	7.9
71.01378	1.7
71.04992	1.8
81.03451	3.2
83.01377	4.7
85.02940	1.6
88.98808	1.4
89.02423	1.2
93.03465	4.3
95.01390	0.9
95.05009	2.4
96.95982	3.8
97.02954	7.9
101.02431	1.5
103.97750	0.9
105.03456	1.7
107.05022	1.3
108.02193	1.5
109.02948	38.6
121.02931	4.9
122.03713	2.3
123.04517	21.1
125.02443	15.5
133.02957	1.8
135.04523	4.9
137.02435	46.4
138.03223	1.5
139.04013	13.5
146.03726	1.5
147.04494	3.1
149.02438	30.8
150.03180	2.2
151.02844	1.5
151.03996	19.8
159.04491	3.5
160.05267	1.4
161.02417	6.4
161.06042	5.9
162.03160	1.5
163.03947	1.4
164.01125	3.1
165.01906	4.8
167.03450	1.8
173.04604	0.8
174.03270	0.9
175.03899	3.7
175.07594	1.7
176.01102	2.6
177.01942	7.7
177.05551	1.0
178.02670	3.0
179.03455	9.6
179.05064	1.2
179.05585	1.2
181.91966	0.7
185.05986	0.9
187.03969	4.6
187.07718	0.9
188.04732	4.7
191.03467	7.9
191.05569	6.2
192.04178	1.7
197.06064	3.4
199.07568	1.1
201.05598	1.4
202.06308	1.8
203.03496	1.7
203.07144	13.0
203.08949	0.7
205.05042	10.3
212.04855	1.3
213.05586	5.4
215.07106	31.1
216.07352	1.0
217.04985	1.0
217.08823	1.3
221.08144	3.1
227.07095	2.9
239.06802	1.6
245.08147	18.5
246.08482	1.2
247.05992	1.3
257.08179	8.5
271.06046	1.4
283.06052	0.9
289.07169	100.0
290.07486	6.7
301.07153	89.5
302.07483	3.9
439.10297	29.1
440.10617	3.2
547.15576	1.5
591.15131	22.8
592.15320	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	587.1628
Annotation	Unknow
Peak:m/z	Relative Intensity
56.04459	0.5
57.03426	0.6
59.01372	3.1
60.99323	0.7
61.98822	1.8
66.62183	0.5
67.01885	3.1
69.03451	0.7
69.40955	4.2
71.01373	2.7
73.02943	0.7
81.03446	1.0
83.05019	1.8
85.02943	3.3
87.00854	2.7
89.02413	0.9
93.03450	22.8
96.96004	8.7
109.02956	3.3
111.00867	1.3
111.04513	8.1
120.01231	0.6
125.02460	0.6
127.03980	1.9
133.02945	8.8
134.03679	1.9
135.04514	23.8
137.02434	10.9
146.49176	0.5
155.03488	13.7
161.02429	33.0
162.02827	1.0
163.03999	0.7
164.07219	1.3
165.05560	0.6
172.79587	0.6
173.04529	100.0
174.04909	2.2
177.01863	3.4
177.04167	2.5
179.03481	19.8
189.01961	0.8
190.05157	0.7
191.05595	40.5
192.06516	20.2
203.03484	0.7
205.07283	1.6
206.08171	1.9
207.08842	49.5
208.09140	1.2
211.07550	1.0
224.05464	11.4
227.46095	0.6
229.01382	0.8
233.06752	6.2
335.07675	51.1
336.08063	1.7
337.09290	2.2
339.04910	1.4
353.08746	15.0
354.08826	0.8
365.19623	4.8
401.89136	0.6
407.12140	1.3
414.14978	0.6
417.06186	1.1
425.13150	13.9
459.07220	2.0
569.11212	1.2
587.16425	8.7
588.16339	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	587.3072
Annotation	Unknow
Peak:m/z	Relative Intensity
50.41007	0.7
55.01889	0.7
58.00581	0.9
59.01377	29.3
61.98814	2.1
70.04505	0.6
71.01369	5.3
73.02934	1.4
85.02935	2.3
85.98991	0.5
87.00906	0.7
89.02454	5.5
93.03472	1.7
96.96011	2.5
99.00813	0.6
99.63730	0.8
101.02432	5.4
102.12356	0.6
109.02911	1.0
111.04502	1.0
113.02435	1.6
119.03489	1.2
125.02435	1.9
126.08624	0.6
135.04564	0.7
149.04547	1.4
152.99629	0.7
161.02336	0.7
161.04550	2.3
165.12825	11.2
171.10268	11.3
173.04575	0.9
183.39821	0.8
186.08983	0.7
191.05618	4.5
191.14471	0.8
197.11835	13.2
233.15327	0.8
247.20633	6.4
253.09253	14.4
273.18573	4.6
291.19641	100.0
292.20038	6.5
293.08801	1.8
352.08545	0.7
385.61542	0.7
399.14255	0.9
490.12646	0.8
543.31720	17.2
544.31909	2.1
569.48688	0.7
587.30164	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.2897
Annotation	Unknow
Peak:m/z	Relative Intensity
52.00488	1.0
54.70626	0.9
59.01369	1.2
61.98824	1.2
71.09426	1.5
78.95895	6.2
79.95731	3.0
82.59019	0.8
96.96006	100.0
96.96911	9.8
107.56542	0.8
153.94838	1.0
231.66516	0.9
255.23357	2.9
261.18143	0.9
272.76535	1.0
293.24789	6.5
589.37885	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	587.1339
Annotation	Unknow
Peak:m/z	Relative Intensity
56.98025	0.7
59.01144	0.5
59.01376	5.7
61.98829	2.6
65.00311	0.9
71.01372	2.2
72.99263	0.5
75.00855	0.6
79.95742	0.6
80.98035	3.3
82.99613	0.6
84.04536	3.7
85.02934	1.8
86.02511	0.7
89.02457	0.7
91.75110	0.6
93.03468	0.9
94.02988	6.6
95.01421	0.6
96.96014	2.5
98.99117	0.5
101.02419	0.5
102.05517	0.6
108.02170	6.5
108.97531	11.6
109.02951	3.0
109.06628	0.5
113.02431	1.2
123.00806	0.6
123.99948	0.7
125.02418	1.5
125.97790	0.6
126.98586	5.2
128.03526	5.8
129.23006	0.6
130.04184	0.8
134.03679	0.5
135.04504	1.5
137.02411	0.7
152.96478	0.9
154.98083	2.6
158.03712	1.0
161.02388	1.3
170.97575	2.2
171.10219	3.1
173.00674	0.6
173.04524	1.7
174.01479	0.7
175.03925	0.7
179.03459	0.7
186.03307	0.5
190.00909	0.6
191.05577	3.6
196.93385	0.6
197.11841	2.6
201.00095	0.5
202.00951	0.8
206.31601	0.5
216.99594	1.8
218.00374	5.6
219.01180	1.2
225.11128	0.5
230.02187	2.0
231.03001	2.9
241.01445	0.5
244.99040	0.5
255.82034	0.5
263.00171	23.1
264.00626	1.2
310.99298	0.4
354.08008	1.3
366.09808	3.6
367.09366	0.7
382.07492	14.5
383.07855	1.0
399.07767	100.0
400.08121	8.2
414.10123	33.1
415.10474	2.6
423.14044	0.6
467.17358	0.6
543.31647	1.4
587.19238	0.8
587.30524	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	587.1338
Annotation	Unknow
Peak:m/z	Relative Intensity
52.01806	0.4
53.82561	0.5
59.01376	6.9
61.98825	3.9
65.00317	1.4
70.66062	1.1
70.66412	0.9
70.99602	0.6
71.01392	2.3
72.99317	0.5
78.95896	1.1
79.95744	0.6
80.98042	4.2
82.99626	0.9
83.01365	0.8
84.04542	3.1
85.02962	1.1
87.00844	0.5
89.02443	0.8
93.03471	0.8
94.02982	5.5
95.01435	0.6
96.95984	2.3
97.02935	0.6
98.99105	0.5
99.00861	0.4
101.02451	1.3
102.05599	1.0
108.02177	7.4
108.97531	16.4
109.02926	1.4
113.02441	1.4
117.03502	0.7
123.00896	1.2
123.04474	0.4
123.99879	1.0
125.02430	1.7
125.97732	0.6
126.98595	6.7
128.03549	7.7
133.02982	0.8
135.04536	1.1
136.98747	0.5
137.02473	1.2
142.98070	1.1
146.04584	0.8
152.96521	0.4
152.99634	1.1
154.98085	2.5
158.03722	1.4
161.02444	2.0
170.97563	3.2
171.00735	0.5
171.10275	4.2
173.04503	1.0
175.02260	0.8
179.03491	0.9
190.00949	0.7
191.01590	0.7
191.05586	2.6
193.05798	0.5
197.11800	3.0
202.02701	0.9
216.99699	0.8
218.00345	6.4
218.02045	0.5
219.01160	1.3
230.02161	1.8
231.02969	1.3
244.09869	0.8
259.04483	0.9
263.00229	6.3
271.06165	0.9
285.03592	0.5
289.07227	0.6
294.05060	0.5
304.04105	1.4
311.22119	1.0
328.05225	0.6
354.07886	2.9
366.09824	5.8
382.07501	18.4
383.07959	0.9
399.07785	100.0
400.08063	7.0
414.10117	33.0
415.10333	2.8
449.28568	0.6
457.27789	0.6
467.16861	2.5
536.29840	1.4
537.29974	1.5
543.31891	4.2
586.31976	1.8
587.32263	5.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.2547
Annotation	Unknow
Peak:m/z	Relative Intensity
54.80691	0.3
55.01871	0.5
57.03436	0.5
59.01374	17.5
60.45716	0.3
61.98816	1.2
68.02533	0.5
69.49994	1.7
71.01375	4.4
72.99290	0.5
73.02934	2.1
78.95901	0.3
83.01373	0.7
85.02949	2.3
87.00869	0.6
89.02451	0.8
89.03977	0.5
91.05515	0.6
91.71099	0.3
93.03461	0.9
96.96007	9.9
97.02963	0.3
98.19875	0.5
99.00874	0.8
101.02435	4.1
105.03427	0.4
106.04225	0.4
107.05025	1.7
109.02948	1.2
111.04471	0.4
113.02435	1.8
117.03479	1.4
119.03474	0.2
121.02943	0.3
123.04532	0.7
125.02427	0.5
128.57259	0.3
132.02193	1.1
133.02948	18.6
134.03735	7.4
135.04512	100.0
136.04855	2.2
137.02428	1.2
153.01936	0.8
154.02269	0.5
161.02429	48.1
162.02742	1.3
163.00278	0.3
165.05463	0.3
173.04475	0.7
179.03479	61.0
180.03764	1.6
189.01884	0.4
191.03598	0.6
191.05585	1.7
217.01387	1.1
231.06923	0.3
255.03113	0.3
265.74319	0.3
284.78775	0.3
286.85007	0.3
289.07501	0.3
291.18106	0.7
301.03418	0.4
327.05014	0.6
374.06570	0.4
423.22290	0.7
447.37921	0.3
541.30060	1.0
585.25439	89.4
586.25793	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	585.3516
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	0.8
61.98829	100.0
72.55584	0.2
78.95905	3.6
96.96961	0.3
98.20788	0.3
152.99602	2.1
160.33902	0.3
209.20441	0.2
224.06784	0.4
229.59637	0.3
241.01222	1.1
258.84372	0.3
269.24820	2.0
283.26389	2.2
284.26669	2.2
285.26981	1.3
286.27448	0.6
404.57538	0.3
427.90881	0.3
508.33871	1.5
509.34512	0.6
510.34970	0.6
511.34875	2.6
585.30292	4.1
586.30847	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	586.1198
Annotation	Unknow
Peak:m/z	Relative Intensity
51.55684	0.4
59.01446	1.8
59.90946	0.4
61.98899	3.4
66.90519	0.4
69.47126	3.3
71.01434	1.0
72.99379	0.4
79.95779	0.7
79.98975	0.4
82.95485	0.5
85.03035	0.9
93.03538	1.1
96.96016	6.3
98.95647	0.5
100.02000	0.4
102.79431	0.5
108.02249	0.7
109.02949	4.1
121.03023	0.4
123.03375	0.8
123.04588	0.5
125.02538	1.3
133.03076	1.3
135.04617	1.9
136.04912	0.5
137.02510	0.8
138.05637	2.0
140.89696	0.5
149.02594	0.4
151.00502	1.2
155.03587	0.5
159.04535	0.5
161.02449	3.8
162.02829	0.9
163.00349	0.9
171.04538	0.5
173.04633	1.0
174.03308	0.5
175.03938	0.6
177.05708	0.5
179.03583	1.7
180.03931	0.5
183.04585	0.5
187.04077	0.9
189.01915	0.5
191.05621	4.7
191.07195	0.5
192.06093	0.7
199.04124	0.6
201.05647	1.0
214.02707	0.4
215.01689	0.5
215.03427	2.7
217.01503	0.6
221.04579	0.8
227.03522	1.6
229.01418	0.4
229.05055	2.0
230.02278	0.7
231.02953	0.6
242.02315	0.5
243.03015	2.3
244.03578	0.8
245.04492	0.6
247.06433	0.7
255.03008	1.5
256.03830	0.6
257.04575	0.6
258.01663	20.2
259.02435	21.1
260.02783	0.6
271.02466	22.7
272.03223	16.3
273.04031	10.4
281.06729	0.7
283.02545	1.3
285.04028	7.6
286.04416	0.6
298.01160	1.8
299.01901	1.6
301.03522	100.0
302.03870	4.9
304.02304	1.6
311.02026	1.6
313.03516	6.4
315.04913	0.6
325.02719	0.5
329.03098	1.0
331.04562	53.6
332.04913	2.6
341.08801	0.9
342.09326	0.8
343.04480	1.4
344.85434	0.4
347.07666	0.5
361.05655	0.8
364.00839	0.6
367.04489	1.6
381.94186	0.5
385.05649	6.9
403.06702	3.1
421.07858	1.6
548.22095	0.8
550.23303	0.8
568.10858	3.2
586.11731	24.7
587.12500	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	585.2188
Annotation	Unknow
Peak:m/z	Relative Intensity
54.66637	0.4
54.76315	0.5
59.01377	12.0
61.98827	65.7
63.99263	0.7
69.03459	0.4
71.01376	4.0
71.62080	0.4
71.82918	0.4
72.99298	0.8
73.02957	1.3
75.00858	0.5
78.95943	0.4
79.95735	0.9
80.96523	0.4
82.95407	0.8
83.01365	0.5
85.02953	2.4
87.00881	1.1
88.98806	0.9
89.02444	3.5
91.39712	0.4
93.03466	2.9
95.01389	0.9
96.96012	4.5
97.66049	0.5
98.95613	2.2
99.00871	1.2
99.92602	0.4
101.02429	2.3
103.11864	0.4
107.99834	0.4
109.02966	1.2
113.02459	1.7
114.05578	0.4
116.84682	0.5
116.92858	3.1
117.03461	0.7
119.01357	0.9
119.03482	0.9
119.05021	1.1
121.02959	7.2
123.04531	0.7
125.02411	0.9
128.03520	0.5
132.02119	1.1
133.02950	3.6
135.04523	4.2
137.02464	2.5
143.03410	0.5
145.06096	0.4
146.04660	0.6
147.00867	0.4
147.04503	2.7
149.02432	47.1
150.02861	1.2
161.02431	16.3
161.04483	0.8
162.02853	0.6
163.04062	1.4
164.04782	47.7
165.01889	0.5
165.05162	1.5
171.10139	0.6
173.04590	2.4
173.05893	0.5
175.00368	5.3
177.01880	0.8
177.05663	0.6
179.03506	1.7
179.07094	5.4
189.01923	1.2
190.02711	11.1
191.03075	0.8
191.03825	0.6
191.05588	7.2
192.05983	0.5
199.04042	0.5
205.05048	10.5
208.03806	0.4
217.01367	1.1
223.06091	100.0
224.06427	3.8
227.03278	0.5
233.04456	0.6
239.06462	0.4
259.02182	0.4
283.02454	2.0
301.03427	0.8
341.06580	1.4
380.20709	0.7
393.13217	2.5
419.11472	1.2
435.57315	0.5
465.11774	0.9
547.15698	0.7
549.14996	0.7
549.23456	11.1
550.23602	1.3
585.22284	10.0
585.30707	1.0
586.22083	0.6
593.34320	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.1244
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	7.0
61.98829	13.9
67.01909	0.3
71.01369	2.1
73.02935	0.5
76.82338	0.3
83.01372	0.6
85.02962	1.6
87.00906	0.3
87.15632	0.3
89.02464	0.6
93.03435	2.1
95.01411	0.7
96.96020	2.3
101.02462	0.9
107.01444	0.3
108.02176	0.8
109.02953	2.2
111.04519	0.4
113.02451	1.1
116.00214	0.3
116.92894	0.8
119.03527	0.5
119.05029	1.3
120.05466	0.3
121.02924	2.8
121.03642	0.4
123.00898	0.4
123.04495	0.8
125.02464	1.2
133.02965	0.9
134.03673	0.4
135.04517	2.2
137.02431	2.8
145.02951	0.8
149.02412	1.0
150.03175	0.7
151.00345	2.3
151.04010	1.4
159.04422	0.4
161.02422	2.4
163.00394	0.5
163.03984	1.8
164.04767	1.0
171.04500	0.4
173.04559	0.8
174.03255	1.3
175.00349	0.5
175.04031	0.3
177.01924	0.4
179.03459	0.6
181.05006	0.9
183.04454	0.6
185.02397	0.4
186.03220	0.4
187.04044	0.5
189.01971	0.8
190.02641	0.5
190.99950	0.5
191.05605	4.3
192.05965	0.5
193.04984	0.3
199.04010	0.9
201.01942	0.4
201.05511	0.8
202.02673	0.4
203.03505	0.7
205.05016	0.6
213.01874	0.7
214.02724	0.7
215.03474	1.2
217.01433	0.6
217.05244	0.4
223.06096	1.8
227.03426	2.1
229.01457	0.9
229.05077	1.1
230.02112	1.5
231.03018	0.4
243.02853	1.6
245.04498	0.5
256.03775	0.7
257.04486	0.6
258.01666	42.5
259.02414	14.2
260.02753	0.4
270.01660	0.3
271.02438	22.9
272.00195	0.6
272.03204	11.9
273.04028	13.6
274.04306	0.8
283.02512	1.6
285.04019	7.0
295.02325	0.4
298.01190	0.9
299.01898	0.9
301.03506	100.0
302.03836	4.3
304.02203	2.7
311.01840	0.8
313.03519	8.5
314.03909	0.6
315.05203	0.5
325.03363	0.4
329.03046	0.8
331.04550	57.8
332.04956	2.4
341.06464	0.4
343.04556	1.4
361.05661	0.9
385.05725	3.1
393.13156	0.8
403.06644	2.8
463.23251	2.2
468.61279	0.3
547.18396	0.5
549.23468	0.9
585.12384	25.0
585.27496	2.1
586.12299	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	584.3286
Annotation	Unknow
Peak:m/z	Relative Intensity
55.54381	0.1
59.01377	2.7
61.98827	100.0
63.99250	0.1
71.01383	0.8
71.61806	0.1
73.02928	0.3
84.95054	0.1
85.02960	0.7
87.00880	0.3
88.97497	0.1
88.98796	0.2
89.02473	0.2
93.03445	0.8
95.01431	0.1
96.96014	2.1
101.02454	0.4
109.02953	0.4
110.06315	0.1
121.02979	0.3
123.04459	0.1
125.02445	0.2
133.02971	0.5
135.04506	0.7
137.02446	0.9
138.02812	0.2
145.03001	0.1
148.19228	0.1
149.02373	1.0
150.03183	0.2
151.04019	0.1
161.02425	1.4
162.02786	0.2
163.04013	0.2
164.04796	0.7
165.05534	0.1
168.37624	0.1
173.04567	0.7
177.01939	0.3
177.05577	0.1
179.03442	0.6
179.07207	0.1
189.01903	0.3
190.02606	0.3
191.03836	0.2
191.05591	1.8
192.05956	0.2
205.05197	0.2
216.00648	0.2
217.01268	0.4
217.05049	0.1
218.01637	0.2
223.06126	1.5
225.11646	0.1
229.01625	0.2
233.04533	0.2
251.05765	0.1
283.02582	0.5
301.03644	0.5
302.03668	0.2
419.11612	0.3
420.11920	0.4
421.12894	0.3
431.85324	0.1
449.79480	0.1
451.13928	0.2
524.27808	0.2
524.34528	0.9
549.23761	0.3
584.21729	0.3
585.15472	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	584.256
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	1.5
59.60069	0.1
59.77917	0.1
61.74195	0.2
61.98826	100.0
62.98529	0.2
69.60495	0.1
71.01383	0.9
71.62149	0.2
72.51135	0.1
73.02959	0.4
83.01382	0.1
85.02953	0.4
89.02458	0.7
93.03482	0.4
96.96006	0.9
101.02446	0.7
105.02624	0.2
109.02974	0.2
113.02464	0.4
125.02422	0.2
125.09742	0.2
137.02441	0.2
161.02483	0.2
161.04564	0.3
173.04529	0.3
191.05598	1.3
269.05063	0.2
325.74780	0.2
346.15112	0.2
363.18112	0.4
434.70023	0.2
517.23193	0.3
523.26636	0.2
524.27209	1.3
525.23340	1.6
585.23834	0.4
598.08521	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	584.3287
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	1.6
59.42096	0.1
60.01712	0.2
61.45577	0.1
61.98829	100.0
64.70717	0.1
70.15600	0.1
71.01388	0.5
71.62124	0.2
73.02969	0.2
79.95744	0.2
83.01423	0.2
85.02967	0.5
87.00861	0.2
89.02467	0.3
93.03441	0.7
94.03819	0.2
96.96012	2.4
101.02486	0.3
107.26579	0.1
109.02966	0.2
113.02453	0.2
121.02964	0.4
123.04477	0.1
125.02467	0.2
133.01500	0.2
133.02965	0.2
134.03720	0.2
135.04507	0.7
137.02440	1.0
138.02832	0.2
139.03963	0.1
151.03963	0.2
161.02454	1.0
173.04575	0.5
177.01958	0.3
179.03529	0.4
189.02019	0.3
191.05623	2.1
191.07327	0.2
192.05911	0.4
193.06168	0.3
215.07204	0.2
217.01393	0.2
239.06738	0.4
245.04445	0.2
258.01743	0.2
271.02615	0.2
301.03647	0.4
302.03799	0.3
331.04514	0.3
335.22235	0.3
336.22699	0.6
348.77298	0.2
419.10986	0.2
454.68991	0.2
471.31464	0.2
513.86676	0.1
523.35193	0.2
524.35132	1.3
584.13751	0.2
584.23358	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.3152
Annotation	Unknow
Peak:m/z	Relative Intensity
51.89809	0.3
52.36383	0.3
54.27908	0.3
57.03425	0.4
59.01367	0.8
60.72865	0.3
63.96250	0.8
66.25248	0.3
69.03457	0.6
71.01376	6.3
73.02946	1.3
78.98592	5.2
79.95734	8.9
79.96187	0.6
80.96512	60.3
81.03459	0.9
83.01318	0.4
85.02948	2.6
87.00866	1.9
91.72584	0.3
94.98078	14.8
95.98015	0.3
96.96018	1.0
97.02949	0.9
99.00895	0.5
101.02430	1.9
102.14568	0.3
106.98100	2.6
122.97579	3.2
125.02433	2.9
127.04020	0.6
134.97578	5.2
136.99158	1.7
146.97572	0.5
148.99132	4.9
152.98621	4.5
164.98607	11.1
165.99034	0.4
188.98642	0.5
206.99648	2.3
225.00725	14.8
226.01093	0.5
229.08595	0.4
283.26480	2.3
299.04318	3.1
307.68057	0.3
583.31500	100.0
584.31836	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	583.2907
Annotation	Scutianine K
Peak:m/z	Relative Intensity
57.03430	0.6
59.01364	0.6
61.98811	1.0
69.03448	0.9
70.83758	1.1
72.94855	0.4
81.03459	0.9
83.01385	5.5
93.03489	0.9
95.01353	0.5
95.05024	1.1
97.02940	5.3
107.04982	0.4
108.02150	1.2
109.02940	8.5
110.03349	0.5
117.03367	0.5
121.02947	5.0
122.03730	3.7
123.00828	0.5
123.04511	12.0
125.02470	3.3
133.02919	0.7
135.04524	3.6
137.01587	0.6
137.02449	5.7
138.03195	1.0
138.41615	0.4
139.03998	3.1
139.11259	0.6
145.02969	1.0
146.03706	1.3
147.04482	0.6
149.02434	8.7
149.06076	1.0
150.03192	0.5
151.04004	3.2
154.02667	0.5
159.04521	2.1
161.02431	5.2
161.06073	6.0
162.03236	2.9
163.00352	1.3
163.03967	2.7
164.01097	1.6
165.01947	5.6
165.05576	2.7
167.76646	0.4
173.06030	0.5
175.03992	1.1
177.01875	0.8
177.05496	1.8
179.03470	1.1
185.06044	0.6
187.03937	1.4
188.04779	1.0
189.05557	0.8
191.03462	0.7
191.05441	0.4
191.07228	0.5
195.13789	0.4
201.05492	1.2
202.06166	0.6
203.03421	0.7
203.07133	3.7
205.05045	8.0
215.07124	0.7
217.05014	0.4
219.06516	0.6
220.95906	0.4
221.08272	3.0
221.11801	1.9
229.05003	1.2
231.02892	1.5
239.12802	1.7
243.06494	0.6
247.06085	4.8
278.15323	0.4
289.14404	0.6
291.23410	0.7
295.22830	0.8
303.12097	0.4
317.21228	2.5
319.22757	1.2
333.20761	0.7
333.24341	4.3
334.24298	0.6
335.22372	3.2
345.24811	0.6
347.25980	0.6
377.23038	1.0
415.24594	0.5
431.24356	3.0
435.28769	1.0
453.29623	0.5
457.66779	0.4
483.31210	1.0
501.32117	3.7
521.28656	1.8
539.29822	3.3
565.27643	1.4
583.28992	100.0
584.29199	11.8
594.45715	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.2906
Annotation	Scutianine K
Peak:m/z	Relative Intensity
50.83440	0.6
57.03436	0.8
59.01353	0.8
61.98824	4.2
71.61771	1.0
75.21989	0.5
83.01392	3.9
86.70281	0.6
93.03451	1.7
95.01343	1.1
95.05023	0.9
96.96004	0.7
97.02961	3.6
108.02162	1.7
109.02944	8.5
121.02963	3.7
122.03725	4.2
123.04514	12.8
124.01650	1.0
125.02425	3.4
133.10262	1.2
135.04509	2.1
135.11809	1.7
137.02441	7.9
138.03188	0.9
139.04013	1.1
139.11310	4.3
144.68138	0.6
145.02902	1.2
146.03667	1.6
149.02411	6.1
149.05986	0.7
149.13313	1.0
151.03976	2.2
151.11267	1.6
154.02766	1.1
159.04521	1.7
161.02440	5.0
161.06053	4.9
162.03172	2.9
163.03996	1.8
164.01158	3.6
165.01910	9.0
165.05615	3.6
175.03995	2.1
177.05508	1.0
179.03528	0.9
181.12238	0.8
183.10255	1.3
187.04004	2.4
189.05438	0.8
189.12839	0.7
191.14296	1.0
193.12280	1.0
199.13390	5.2
201.05499	1.2
203.07143	3.9
205.05058	8.2
221.08130	1.3
229.05203	0.8
229.12189	0.9
231.02995	1.3
247.06062	5.0
250.50490	0.7
297.14975	0.9
315.16077	1.0
319.22760	1.0
333.24222	1.3
335.22131	1.4
339.15958	2.0
355.19260	1.7
373.23795	1.0
377.23138	0.8
399.25516	0.8
404.83173	0.6
419.24060	1.0
431.24313	6.9
521.28552	1.2
524.10510	0.7
539.30029	3.8
565.27930	1.8
583.29022	100.0
584.29364	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	583.2757
Annotation	Unknow
Peak:m/z	Relative Intensity
52.53960	0.4
56.15692	0.3
59.01377	7.6
61.98826	2.3
70.76224	1.0
71.01369	4.5
73.02946	7.2
83.01392	1.8
85.02959	0.7
87.00855	0.4
88.98813	0.4
93.03439	0.7
96.96011	4.9
97.02928	0.5
99.38561	0.4
101.02445	5.8
105.20310	0.4
109.02930	1.0
113.02451	0.6
125.02446	0.9
133.02934	0.5
135.04503	1.1
161.02461	1.5
163.04063	0.5
164.60512	0.4
173.04567	0.8
177.01886	1.0
179.03419	0.6
189.01884	2.5
191.05615	3.3
192.05984	0.6
203.03502	0.6
203.05502	0.6
216.00642	1.4
217.01454	2.2
231.03035	0.6
301.03461	0.6
335.22247	100.0
336.22559	5.6
341.06482	2.1
349.23767	4.6
377.23407	2.0
419.11316	2.0
529.14905	0.6
547.16150	1.2
554.02185	0.4
565.22083	1.3
583.28265	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.2906
Annotation	Scutianine K
Peak:m/z	Relative Intensity
55.01877	0.6
57.03441	0.8
61.09522	0.5
61.98826	1.2
69.03443	0.7
71.09208	0.5
71.09536	1.1
83.01394	5.5
93.03447	1.0
95.04987	1.2
95.98579	0.5
97.02941	5.7
108.02155	1.6
109.02943	10.1
121.02962	3.3
122.03744	2.8
123.04522	12.9
125.02450	2.6
133.02922	0.6
135.04514	2.7
136.01620	0.9
137.02448	7.7
138.03236	0.7
139.04030	3.4
139.11279	1.6
145.02925	1.2
146.03722	1.3
149.02431	7.4
149.06102	1.2
150.03221	0.8
151.03969	4.0
159.04495	1.7
161.02472	5.4
161.06068	5.6
162.03201	3.1
163.00325	0.8
163.03993	2.8
164.01108	2.7
165.01917	6.0
165.05515	2.7
165.12830	1.3
175.03954	1.4
177.01746	0.7
177.05548	1.6
177.12799	0.7
179.03479	1.3
187.03964	1.9
188.04881	0.6
189.05588	0.9
190.02649	0.9
199.13428	0.7
201.05496	1.5
202.06329	0.9
203.03427	0.5
203.07047	3.8
205.05026	7.0
217.12381	0.6
219.06552	0.6
221.08154	1.8
221.11826	1.3
229.05075	1.2
231.02890	1.7
239.12860	1.7
239.89452	0.6
243.06549	0.9
244.07390	0.8
247.06105	5.5
247.20763	0.9
273.18622	0.6
289.07132	0.9
291.19644	10.9
295.22614	0.6
317.21167	2.7
319.22678	0.8
333.24231	3.0
335.22238	2.4
339.16095	0.9
347.25937	1.1
377.23297	1.2
413.23331	0.7
419.24374	0.7
421.26025	0.7
431.24399	9.7
432.24896	0.7
433.26007	0.7
480.41113	0.6
487.34274	12.1
488.34650	0.7
521.28851	1.0
539.29773	2.9
565.28082	3.3
566.28546	0.8
583.29041	100.0
584.29370	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	583.239
Annotation	Briaexcavatolide K
Peak:m/z	Relative Intensity
57.03451	1.0
57.67221	0.7
58.00594	2.5
59.01376	100.0
60.01725	0.8
60.34906	0.7
61.98827	17.1
71.01379	40.0
71.62162	1.3
72.01736	1.0
72.99287	3.9
73.02957	2.7
83.01373	2.4
85.02959	6.6
87.00876	3.2
89.02439	54.9
93.03446	2.0
95.01389	2.8
96.96004	23.1
101.02444	27.8
108.02200	1.2
109.02962	2.8
113.02438	18.4
113.16051	0.7
119.03496	26.4
123.04510	1.5
125.02457	2.8
128.27397	0.8
128.82014	0.7
131.03464	4.0
133.02936	1.1
135.04474	1.1
137.02455	1.6
143.03488	8.6
149.04547	3.1
153.01952	1.1
161.02403	2.9
161.04541	8.9
163.03981	0.9
168.00616	0.8
173.04546	2.2
175.71201	0.8
179.05595	32.6
191.05608	8.4
245.04964	1.3
301.03601	1.0
303.58655	0.7
361.16605	2.2
451.34662	0.8
523.21338	36.4
524.21851	3.6
567.20892	1.9
583.24042	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	583.2752
Annotation	Unknow
Peak:m/z	Relative Intensity
53.58192	0.6
57.03434	0.8
58.13795	0.6
59.01096	0.9
59.01375	13.0
61.63383	0.6
61.98827	6.2
63.26566	0.6
64.39057	0.6
67.03054	0.5
71.01383	6.7
72.99327	0.8
73.02947	9.2
78.65669	0.6
78.95891	1.0
83.01369	1.9
84.95122	0.7
85.02937	1.6
85.14407	0.6
89.02431	1.7
93.03452	4.6
96.96004	5.5
101.02431	6.0
109.02943	2.1
112.92789	0.6
113.02433	1.2
116.92909	0.7
119.05002	1.0
121.02947	0.9
122.03725	1.0
123.04522	0.8
125.02435	1.4
130.04176	0.6
133.02957	2.4
135.04500	2.0
137.02409	3.4
149.02373	1.2
150.03256	4.3
155.03496	0.8
159.04463	0.7
161.02420	5.9
161.04532	1.1
163.04030	0.6
165.05579	5.0
173.04480	3.2
177.01897	2.0
179.03523	1.2
183.24065	0.6
189.01950	3.1
191.05598	9.0
192.05946	2.2
195.06689	3.1
203.03647	0.8
203.05501	1.0
216.00563	2.2
217.01273	3.4
217.98448	0.6
219.03284	0.9
248.41153	0.6
258.01492	0.8
272.03308	0.7
285.04126	0.9
289.07138	1.0
301.03506	2.1
331.04581	1.7
335.22247	100.0
336.22501	7.6
341.06589	1.9
349.23831	4.2
357.13596	1.0
369.13342	1.0
373.15836	0.7
377.23294	2.2
419.11368	3.0
481.27911	1.4
529.15271	1.3
547.16406	1.7
547.28430	0.7
565.22516	3.1
583.11462	1.4
583.23474	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	583.1297
Annotation	Unknow
Peak:m/z	Relative Intensity
51.92148	0.4
52.46815	0.5
59.01377	1.9
68.91859	0.5
68.92400	0.5
69.63051	0.5
71.01381	3.4
71.61160	0.6
71.61581	0.9
72.99308	0.7
73.02962	0.9
81.03439	0.5
83.10452	0.5
85.02953	1.8
89.02460	0.9
91.01893	0.9
96.96025	2.2
99.00893	1.7
101.02447	1.8
108.02166	35.1
109.02956	32.3
109.03539	0.5
113.02440	2.5
121.02984	0.6
123.00845	0.6
125.02431	0.9
135.04533	1.1
137.02475	0.5
143.03453	0.7
151.04004	1.4
152.01144	67.8
153.01932	33.3
161.04530	1.7
163.04033	3.8
174.01709	0.5
177.01927	1.4
179.03482	1.0
182.70149	0.5
191.05470	1.1
207.02994	0.8
268.18353	0.6
271.08032	0.7
290.37796	0.6
315.07236	1.1
429.10425	4.4
447.11398	21.0
448.11765	1.3
539.14185	2.9
545.87231	0.6
583.12976	100.0
584.13385	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	583.2387
Annotation	Unknow
Peak:m/z	Relative Intensity
52.29701	0.5
54.41121	0.5
55.01861	1.6
57.03438	1.0
57.21341	0.5
58.00592	0.6
59.01376	24.0
61.98831	6.9
62.48793	0.5
70.98919	1.4
71.01380	17.3
72.99292	1.7
73.02953	3.6
83.01379	3.0
85.02946	7.9
87.00861	1.9
88.98799	0.9
89.02436	6.9
93.03455	0.8
93.93188	0.6
95.01369	1.6
96.96000	3.6
97.02948	0.5
99.00860	1.1
101.02443	8.9
101.56916	0.6
109.02917	1.6
111.00841	0.7
113.02450	5.0
119.03487	2.5
124.01643	1.9
125.02466	3.7
134.03700	2.0
135.04510	1.0
137.01442	1.0
137.02432	11.6
138.03232	4.6
139.04022	3.7
149.04556	1.1
150.03221	0.7
151.03993	4.7
152.04811	3.1
153.01874	1.1
161.02437	1.8
161.04568	1.1
162.03215	3.0
163.03995	2.5
164.04776	0.8
165.05530	0.9
166.06282	0.6
167.03534	0.7
170.02126	0.6
173.04512	0.8
175.03986	1.3
176.04770	1.0
177.05580	3.6
179.03473	1.7
179.06993	0.7
180.04295	5.8
181.03584	0.9
181.05061	9.1
184.03638	0.6
189.05499	1.1
191.05605	4.1
191.07126	0.9
193.05081	2.5
194.05774	1.6
195.06615	13.1
205.08687	1.0
207.06567	2.5
209.08131	2.2
221.08215	0.9
283.02539	0.8
342.67303	0.6
361.12781	1.7
373.12845	2.4
375.14670	1.3
377.02792	0.6
388.15369	2.7
391.13956	6.1
403.17538	4.2
406.16324	12.4
407.16754	1.5
421.18668	42.0
422.19073	3.3
431.03879	0.9
441.85638	0.7
545.18701	1.2
547.27521	1.5
568.21320	1.7
583.23938	100.0
584.24268	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	583.13
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	1.2
61.98820	2.0
69.84238	3.6
71.01335	0.6
93.17110	0.7
96.96017	2.0
98.19901	0.8
108.69689	0.6
109.02967	1.1
127.24165	0.6
151.00365	1.7
152.01117	1.1
153.02022	0.8
161.02429	1.1
191.05618	1.3
201.01941	0.8
215.03516	1.1
216.52425	0.6
227.03436	1.2
243.03087	1.3
255.03033	0.7
258.01645	23.8
259.02393	8.6
263.18524	0.6
271.02444	15.6
272.03223	29.5
273.03964	10.9
283.02533	1.0
285.00391	2.3
285.04022	4.7
287.01974	9.9
300.02783	0.9
301.03503	77.6
302.03732	3.1
304.02325	2.0
313.03455	7.2
315.04950	0.8
331.04529	39.8
332.04910	1.9
343.04510	2.9
373.05377	1.0
403.06580	1.5
408.45428	0.7
421.07721	100.0
422.08005	5.8
462.30673	0.7
463.08731	7.2
493.09686	1.3
583.12921	16.6
584.13293	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.1294
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01359	0.5
71.01389	0.9
87.54094	0.5
89.02411	0.7
93.03452	0.9
96.95998	2.2
108.02151	1.5
109.02954	1.2
113.02422	0.6
125.02444	0.8
137.02457	1.3
152.01149	1.3
153.01904	0.7
173.04605	0.6
182.00412	0.7
191.04034	0.6
191.05577	3.5
211.85233	0.5
243.02914	2.1
244.03767	1.0
255.02844	0.6
258.01657	6.6
259.02454	12.0
260.02737	0.5
271.02432	13.8
272.03226	49.9
273.03818	2.9
283.02487	2.2
285.00351	8.0
285.03940	2.8
286.00998	0.9
287.01944	41.7
288.02182	1.3
293.12515	1.3
298.01196	1.1
299.01923	2.7
300.02728	3.5
301.03519	20.0
302.03839	0.9
304.02264	2.9
311.01950	0.6
313.03589	1.4
330.03641	1.1
331.04526	12.8
332.04913	0.8
335.05890	0.5
343.04373	1.4
373.05414	1.1
403.06595	2.4
420.07224	0.7
421.07727	14.4
463.08737	14.7
463.15274	0.8
464.08810	1.0
493.09860	3.8
583.12952	100.0
584.13391	9.5
601.26538	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.1087
Annotation	Quercetin 3-(6''-p-hydroxybenzoylgalactoside)
Peak:m/z	Relative Intensity
51.49899	0.6
57.03474	0.6
59.01379	9.1
61.98832	3.4
71.01390	3.8
71.61958	1.1
73.02946	2.6
75.00869	2.6
83.01384	1.1
85.02953	1.2
87.00894	1.1
89.02431	3.4
89.55181	0.5
93.03492	1.1
96.96006	5.6
101.02464	3.7
103.68830	0.5
107.05043	0.7
109.02953	2.5
109.03651	0.6
113.02464	2.2
117.03451	0.7
119.03500	0.9
123.67335	0.5
125.02499	0.6
133.01445	1.5
133.02969	0.9
134.03757	4.4
135.04523	43.5
136.04836	0.9
137.02423	1.0
139.79767	0.7
149.04567	0.8
149.55672	0.7
151.00362	1.3
153.01984	1.3
161.02415	2.4
161.04565	1.6
162.39731	0.6
173.04503	1.4
179.03482	16.6
179.05576	2.3
183.04582	1.3
191.03806	0.9
191.05554	4.8
199.03986	0.8
209.02470	0.8
211.03973	1.8
215.03510	1.4
221.06523	0.8
227.03488	5.0
229.04878	2.9
230.01987	0.6
238.02573	0.9
239.03506	1.1
239.06630	0.7
243.02893	0.8
244.03596	0.8
245.04462	1.2
254.01997	0.7
255.02965	5.9
258.01651	2.9
259.02438	11.3
266.45190	0.6
267.02856	1.5
269.04361	0.6
271.02469	12.0
272.03146	5.3
273.04022	25.7
274.04337	1.3
281.04266	0.7
282.01645	0.9
283.02463	100.0
284.02783	4.6
285.03906	4.5
296.03229	1.8
297.04028	2.3
298.00983	0.8
301.03516	70.7
302.03815	3.9
304.02240	1.7
309.04062	1.3
311.01923	0.8
313.03537	5.7
325.03491	3.1
331.04572	26.0
332.05014	1.6
339.05325	0.7
343.04691	1.7
365.13925	0.6
403.06668	27.5
404.07025	1.4
419.07632	2.2
421.07730	97.1
422.08029	6.4
431.07910	0.9
463.06573	3.1
523.22034	0.9
539.11853	3.7
565.09607	2.2
583.10864	52.7
584.11224	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	583.1087
Annotation	Quercetin 3-(6''-p-hydroxybenzoylgalactoside)
Peak:m/z	Relative Intensity
59.01373	1.6
69.74088	0.9
69.74496	1.0
71.01390	0.6
85.02950	0.5
95.01385	1.1
96.96015	1.5
107.01376	0.6
108.02163	0.4
109.02934	2.4
123.00867	0.6
123.04581	0.4
125.02438	2.1
133.02931	0.9
133.95435	0.4
134.03764	0.7
135.04512	4.9
137.02419	0.5
149.02397	0.6
151.00359	4.1
153.01947	0.6
161.02460	2.4
165.05556	0.4
171.04520	0.4
173.04539	0.4
174.03201	0.9
177.05492	0.5
179.03476	2.7
183.04573	0.4
186.03255	0.6
187.04025	0.5
191.05669	1.3
199.03987	0.4
201.05499	0.5
202.02834	0.5
203.03467	0.9
213.01756	0.4
214.02690	0.8
215.03477	1.3
217.05167	0.4
227.03433	2.0
229.04987	1.8
230.02155	1.0
231.06860	0.7
243.02946	1.6
255.02924	0.8
256.03854	0.5
257.04648	0.8
258.01660	36.0
259.02408	16.8
271.02460	25.4
272.03204	11.6
273.04025	23.1
274.04337	1.1
281.06564	0.5
283.02472	1.6
285.04037	8.7
286.04373	0.5
298.01175	0.5
299.01877	2.0
301.03510	100.0
302.03842	5.6
304.02155	2.2
311.01895	0.9
313.03500	9.1
325.03406	0.6
329.02966	0.9
331.04559	53.9
332.04828	2.9
335.22113	0.8
343.04611	2.1
361.05548	1.3
367.04230	0.5
385.05652	1.7
403.06699	2.6
421.07822	4.9
422.08594	0.4
523.34875	0.6
565.10071	2.5
583.10858	66.8
584.11121	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	582.2403
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	0.8
61.98825	100.0
63.99245	0.3
69.90994	0.2
71.01382	0.9
71.61478	0.3
73.02929	0.2
84.22575	0.1
85.02937	0.3
89.02457	0.6
93.03457	0.4
96.96014	1.0
101.02461	0.5
109.02975	0.3
134.00758	0.2
137.02448	0.2
153.01949	0.4
173.04555	0.2
191.05583	1.4
213.96408	0.6
275.62384	0.2
333.44742	0.2
392.80377	0.2
419.17480	0.3
420.17496	1.1
520.24670	0.2
521.25024	0.4
522.25439	2.6
582.23950	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	582.3492
Annotation	Unknow
Peak:m/z	Relative Intensity
59.05517	0.1
61.98827	100.0
71.01383	0.3
71.61958	0.2
71.62296	0.2
80.96499	0.9
90.63782	0.1
94.98090	0.3
125.34148	0.1
134.30069	0.1
135.61218	0.2
175.33913	0.1
175.57918	0.1
225.00729	0.3
283.26471	0.6
284.26828	0.7
285.27148	0.5
286.27448	0.2
508.12680	0.2
583.31451	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	582.3772
Annotation	Unknow
Peak:m/z	Relative Intensity
51.27677	0.2
55.62663	0.2
59.01377	20.0
60.01700	0.3
60.30459	0.2
61.98819	0.2
70.09507	0.6
70.09898	0.5
71.01407	0.4
73.02952	0.2
78.95900	20.0
79.95737	0.6
80.96517	2.8
94.98078	0.4
96.96980	0.4
98.20663	0.2
105.61302	0.2
106.98098	0.2
134.97581	0.3
134.98537	0.3
152.98543	0.4
152.99596	2.6
164.98654	0.5
168.04291	3.5
212.44679	0.2
220.88210	0.2
223.30542	0.2
224.06912	7.9
225.00635	0.4
225.07097	0.2
242.07947	1.9
243.44148	0.2
245.81232	0.2
258.45929	0.2
276.41064	0.2
277.02148	0.2
283.26404	100.0
284.26740	5.7
475.41925	0.3
508.34024	70.4
509.27054	0.4
509.34375	5.6
582.30273	4.9
583.29889	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	582.2401
Annotation	Unknow
Peak:m/z	Relative Intensity
51.07449	0.1
51.95130	0.2
59.01371	0.9
61.98827	100.0
70.25199	0.6
71.01376	1.4
73.02929	0.4
83.01418	0.2
85.02946	0.4
89.02441	0.8
93.03503	0.2
96.96019	1.0
97.25648	0.2
99.00877	0.2
101.02448	0.7
108.02201	0.2
109.02958	1.4
113.02475	0.5
114.53332	0.1
119.03503	0.3
121.03001	0.2
123.04513	0.3
125.02448	0.2
135.04556	0.4
137.02455	0.2
139.04022	1.3
153.01923	1.8
161.02446	0.2
161.04628	0.2
163.11549	0.1
167.03525	0.5
179.03633	0.1
191.05537	0.8
192.05991	0.2
224.35771	0.2
234.70132	0.2
286.42374	0.2
351.15067	0.2
359.26495	0.2
377.82730	0.2
390.21967	0.2
415.12302	0.2
420.17584	0.2
429.10394	0.2
449.00821	0.2
521.26019	0.3
522.26172	3.3
523.27692	0.6
539.14471	0.3
551.56677	0.2
582.23145	1.5
583.13202	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.3539
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	0.7
57.03436	1.8
58.00580	0.8
58.31284	0.4
59.01378	24.8
60.99300	3.3
61.98829	28.6
65.03983	0.5
67.01884	2.6
69.03452	1.7
69.39429	3.5
71.00995	1.0
71.01380	20.0
72.55724	0.5
72.99294	2.1
73.02944	5.0
75.00855	0.6
79.95718	0.8
81.03445	2.0
82.72265	0.4
82.95404	3.0
83.01382	1.8
83.05021	1.3
85.02949	15.7
87.00869	5.8
88.98804	14.9
89.02442	9.5
93.03455	20.1
95.01389	2.0
96.95995	5.9
97.02916	0.7
98.19932	1.2
98.95569	0.7
99.00870	2.7
99.04477	0.7
101.02442	9.3
108.02172	1.7
109.02946	5.1
111.00867	1.1
111.04507	3.0
111.91842	0.4
113.02440	6.5
115.03990	0.6
115.92052	1.3
116.92904	0.7
119.03479	2.7
121.02945	1.5
122.03731	0.7
123.04502	2.8
125.02442	2.1
127.03985	2.2
129.01909	1.2
129.21620	0.6
133.02950	1.6
134.03770	4.0
135.04530	3.3
137.02438	16.3
137.03490	0.8
139.03972	0.6
146.03685	0.9
147.04514	0.9
149.06050	0.5
151.04016	2.6
153.01877	0.5
155.03548	2.7
159.03015	0.8
159.04510	1.9
160.01671	1.3
160.87752	0.5
161.02440	3.8
161.04527	1.9
161.05916	0.5
167.03477	1.6
171.03044	0.5
173.04552	13.2
173.06009	1.1
174.03212	0.8
174.06772	1.2
175.03949	1.4
177.01973	1.1
179.03455	2.3
185.06097	0.6
186.06828	1.2
187.04008	3.9
187.13342	1.1
188.04597	0.9
189.01923	1.1
189.38835	0.6
190.02606	0.6
191.05598	100.0
191.59361	0.5
192.05914	3.3
193.05061	1.6
197.06035	1.0
198.06715	0.8
199.07591	0.5
200.04825	0.8
201.05589	0.6
201.14983	1.8
202.06354	1.3
209.04527	2.1
211.13399	1.3
215.06900	0.6
216.00542	0.5
217.01498	0.9
218.01738	0.8
225.14972	1.9
227.03447	0.6
228.04234	1.1
243.06631	2.8
269.13861	1.0
281.15576	0.5
283.13348	2.3
283.16608	0.5
285.41928	0.5
299.06039	0.6
299.09381	0.8
299.16461	3.8
301.14459	1.1
309.08337	0.5
309.14874	6.3
310.15237	0.5
311.09122	0.5
311.12753	0.7
317.17542	2.1
327.12152	0.7
327.15985	11.5
328.16312	1.2
329.14050	0.7
337.09515	0.7
341.06488	1.2
341.10297	5.4
342.10498	0.8
345.17017	8.9
346.17523	1.0
353.13995	1.4
359.28061	5.3
363.18127	1.0
371.11115	3.1
371.15009	16.4
372.15536	1.3
389.15961	2.2
401.12366	1.2
405.12024	1.0
407.16971	3.0
409.20822	0.6
443.19156	10.9
444.19537	0.8
461.14410	0.8
485.12515	0.6
503.13614	2.3
521.20520	1.6
521.33234	65.9
522.33429	5.4
544.73566	0.7
559.81891	0.6
563.14136	0.9
563.21570	10.7
564.21368	0.8
581.22510	29.9
582.22986	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	581.3326
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	100.0
60.01730	0.6
61.98835	0.8
69.68921	0.3
71.01389	0.3
71.62681	0.4
85.02966	0.5
93.03473	0.8
94.55975	0.2
96.36688	0.2
96.95988	0.5
99.00919	0.3
99.45145	0.2
100.58937	0.2
101.02503	0.4
120.90161	0.3
137.02440	0.7
173.04562	0.5
191.05675	1.1
208.67162	0.3
309.20758	0.3
346.36429	0.2
353.87408	0.3
581.28485	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.3539
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	0.7
57.03436	1.8
58.00580	0.8
58.31284	0.4
59.01378	24.8
60.99300	3.3
61.98829	28.6
65.03983	0.5
67.01884	2.6
69.03452	1.7
69.39429	3.5
71.00995	1.0
71.01380	20.0
72.55724	0.5
72.99294	2.1
73.02944	5.0
75.00855	0.6
79.95718	0.8
81.03445	2.0
82.72265	0.4
82.95404	3.0
83.01382	1.8
83.05021	1.3
85.02949	15.7
87.00869	5.8
88.98804	14.9
89.02442	9.5
93.03455	20.1
95.01389	2.0
96.95995	5.9
97.02916	0.7
98.19932	1.2
98.95569	0.7
99.00870	2.7
99.04477	0.7
101.02442	9.3
108.02172	1.7
109.02946	5.1
111.00867	1.1
111.04507	3.0
111.91842	0.4
113.02440	6.5
115.03990	0.6
115.92052	1.3
116.92904	0.7
119.03479	2.7
121.02945	1.5
122.03731	0.7
123.04502	2.8
125.02442	2.1
127.03985	2.2
129.01909	1.2
129.21620	0.6
133.02950	1.6
134.03770	4.0
135.04530	3.3
137.02438	16.3
137.03490	0.8
139.03972	0.6
146.03685	0.9
147.04514	0.9
149.06050	0.5
151.04016	2.6
153.01877	0.5
155.03548	2.7
159.03015	0.8
159.04510	1.9
160.01671	1.3
160.87752	0.5
161.02440	3.8
161.04527	1.9
161.05916	0.5
167.03477	1.6
171.03044	0.5
173.04552	13.2
173.06009	1.1
174.03212	0.8
174.06772	1.2
175.03949	1.4
177.01973	1.1
179.03455	2.3
185.06097	0.6
186.06828	1.2
187.04008	3.9
187.13342	1.1
188.04597	0.9
189.01923	1.1
189.38835	0.6
190.02606	0.6
191.05598	100.0
191.59361	0.5
192.05914	3.3
193.05061	1.6
197.06035	1.0
198.06715	0.8
199.07591	0.5
200.04825	0.8
201.05589	0.6
201.14983	1.8
202.06354	1.3
209.04527	2.1
211.13399	1.3
215.06900	0.6
216.00542	0.5
217.01498	0.9
218.01738	0.8
225.14972	1.9
227.03447	0.6
228.04234	1.1
243.06631	2.8
269.13861	1.0
281.15576	0.5
283.13348	2.3
283.16608	0.5
285.41928	0.5
299.06039	0.6
299.09381	0.8
299.16461	3.8
301.14459	1.1
309.08337	0.5
309.14874	6.3
310.15237	0.5
311.09122	0.5
311.12753	0.7
317.17542	2.1
327.12152	0.7
327.15985	11.5
328.16312	1.2
329.14050	0.7
337.09515	0.7
341.06488	1.2
341.10297	5.4
342.10498	0.8
345.17017	8.9
346.17523	1.0
353.13995	1.4
359.28061	5.3
363.18127	1.0
371.11115	3.1
371.15009	16.4
372.15536	1.3
389.15961	2.2
401.12366	1.2
405.12024	1.0
407.16971	3.0
409.20822	0.6
443.19156	10.9
444.19537	0.8
461.14410	0.8
485.12515	0.6
503.13614	2.3
521.20520	1.6
521.33234	65.9
522.33429	5.4
544.73566	0.7
559.81891	0.6
563.14136	0.9
563.21570	10.7
564.21368	0.8
581.22510	29.9
582.22986	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	581.2996
Annotation	lupulin A
Peak:m/z	Relative Intensity
57.03436	0.3
59.01373	0.4
63.96235	0.7
66.04034	0.3
68.55806	0.3
69.03465	0.6
69.93268	0.3
70.10823	0.7
70.11214	0.9
71.01374	6.3
72.23643	0.3
72.99319	0.3
73.02944	1.1
78.98592	5.6
79.95731	9.0
79.96191	0.6
80.96512	56.1
81.03437	0.4
85.02942	2.3
87.00883	2.2
94.98079	12.9
95.01353	0.4
96.95995	1.0
97.02953	1.1
99.00848	0.6
101.02418	2.2
106.98084	3.3
122.97575	2.5
125.02434	2.5
127.04036	0.5
134.97569	4.0
136.99156	1.2
144.71686	0.3
146.97574	0.3
148.99117	4.6
152.98608	4.4
152.99715	0.4
164.98613	11.1
167.00214	0.4
200.08684	0.3
206.99609	2.1
225.00714	13.9
227.88115	0.3
281.24847	1.8
283.26358	0.6
299.04449	2.5
508.34396	0.8
581.29950	100.0
582.30292	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	581.3203
Annotation	Unknow
Peak:m/z	Relative Intensity
52.03734	0.3
54.00584	0.3
59.01382	1.2
59.58392	0.3
61.98827	100.0
69.24712	0.7
69.25132	1.9
72.12998	0.2
78.95900	1.4
82.96096	0.4
85.02984	0.3
129.63261	0.2
137.02483	0.3
208.25212	0.2
279.23294	2.3
280.23618	2.3
281.23813	1.3
282.24323	1.0
360.66290	0.3
433.23938	0.3
504.31046	1.2
505.31476	0.6
506.31531	0.7
507.32019	2.1
581.27484	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.3204
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	1.5
61.98827	100.0
69.24310	0.7
69.24715	1.7
78.95920	1.0
137.02414	0.4
138.02792	0.3
152.99606	0.5
165.01938	0.3
172.93062	0.2
279.23303	3.3
280.23599	4.1
281.23944	2.7
282.24261	1.0
429.32425	0.2
434.06281	0.2
504.31000	1.1
505.31326	0.5
506.31659	0.6
507.31613	2.2
581.26392	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.2815
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	1.5
57.03437	2.7
59.01379	31.0
61.98827	16.7
69.77574	5.5
71.01382	30.5
72.99307	2.7
73.02943	8.6
75.00876	1.4
76.68546	1.0
83.01377	4.2
85.02961	10.4
87.00841	2.7
89.02437	19.0
90.28462	1.2
93.03468	2.3
93.82006	1.1
95.01367	2.4
96.96009	9.6
98.19872	2.1
98.95615	1.2
99.00886	5.4
101.02441	23.2
109.02914	2.3
113.02453	11.8
119.03494	4.5
124.01646	1.5
125.02479	2.8
131.03511	1.9
135.04503	3.8
137.02415	2.7
138.03220	1.5
139.03969	1.6
148.63652	1.1
153.05611	1.1
159.02974	1.6
161.02415	4.2
161.04556	6.9
165.01913	1.6
173.04575	1.7
175.03989	2.2
179.03490	3.4
179.05753	1.3
188.04735	1.5
189.05440	1.9
191.05594	7.1
195.06628	2.0
202.06383	1.6
203.07039	1.1
243.02914	2.1
244.03754	2.6
271.02365	2.6
272.03207	1.6
299.01950	1.0
300.02747	2.0
301.03363	2.5
337.09320	1.6
340.09534	1.5
341.10175	3.3
355.11786	2.5
359.11316	4.6
373.12814	7.1
389.12506	2.1
389.21719	9.1
404.14569	3.9
419.17099	13.6
461.04709	5.0
491.06046	1.6
521.25995	100.0
522.26434	6.4
542.06274	1.2
545.18597	3.5
566.20642	1.6
581.08722	5.0
581.22375	48.3
581.31647	2.5
582.22888	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	581.2749
Annotation	Aralionine A
Peak:m/z	Relative Intensity
58.32605	0.6
59.01364	2.1
61.98829	1.2
69.24309	5.3
69.24727	1.7
82.59301	0.6
83.01385	4.2
83.04983	0.8
93.03448	2.4
95.04984	1.2
96.95985	1.6
97.02940	3.0
98.20664	1.4
102.37707	0.7
108.02164	1.8
109.02962	8.3
119.04991	1.8
121.02924	2.9
122.03731	3.7
123.04510	9.5
124.01692	1.1
125.02450	5.3
129.61584	0.8
133.06561	0.8
133.10213	0.9
135.04500	3.1
137.02432	9.0
139.04005	2.3
139.11292	3.9
142.92151	0.7
145.02907	1.4
146.03726	1.8
147.04562	1.6
149.02432	6.3
149.09743	1.8
150.03255	0.9
151.03993	2.2
154.02705	0.7
159.04506	2.9
161.02435	5.9
161.04840	0.8
161.06039	4.1
162.03203	2.9
163.00302	2.0
163.03999	6.5
164.01093	3.7
165.01913	6.2
165.05551	2.4
166.02327	0.8
175.03957	2.8
177.01979	0.7
177.05569	2.6
179.03401	1.3
183.10258	1.0
187.04019	1.6
188.04704	1.0
189.01859	1.2
189.05588	1.1
189.12845	1.1
191.03477	1.2
191.05652	1.3
199.13359	3.2
201.05569	1.2
202.06371	1.1
203.03505	1.2
203.07053	3.6
204.04161	1.3
205.05029	8.4
217.05130	0.7
220.88170	0.7
226.06065	0.9
229.05083	1.0
247.06096	4.0
253.09222	2.1
259.09586	0.8
261.14905	0.8
288.06339	1.4
289.06799	0.8
291.19614	7.4
327.08942	1.0
331.22931	1.0
333.20541	1.1
337.14584	0.8
345.17038	0.8
347.14871	1.8
353.17566	1.2
360.16046	1.6
361.16397	2.0
362.16797	0.9
372.97275	0.7
375.21655	1.1
389.16013	3.2
417.22748	2.0
419.24371	1.0
429.22672	4.6
446.10068	0.8
465.33868	0.7
512.20325	0.9
519.26862	1.5
537.28412	4.6
555.58105	0.8
563.26501	2.7
581.27502	100.0
582.27759	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	581.2752
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22405	0.4
50.24361	0.6
56.09151	0.5
57.03430	1.5
59.01371	0.9
61.98820	0.8
64.22803	0.4
69.95284	2.1
81.03416	0.6
83.01369	3.4
83.04965	0.4
93.03442	2.0
95.01437	0.5
95.05008	0.8
96.63516	0.5
96.95985	1.0
97.02946	3.6
108.02171	1.6
108.10190	0.5
109.02952	7.9
116.97762	0.5
117.03425	0.5
121.02957	4.3
122.03732	5.7
123.04522	9.0
124.01638	1.0
125.02449	3.9
133.02858	1.0
135.04501	2.6
136.01695	0.6
137.02446	9.1
138.03191	0.7
139.03986	2.7
139.11345	0.6
145.02910	1.4
146.03714	1.7
147.04491	1.0
149.02438	5.7
149.06067	0.7
150.03210	0.9
151.03987	3.5
154.02632	0.7
159.04465	1.3
160.05161	0.7
161.02443	6.8
161.06047	3.5
162.03185	2.1
163.00352	3.7
163.03996	2.3
164.01112	3.8
165.01935	10.6
165.05556	1.3
167.03596	0.5
175.03944	1.7
175.07607	0.6
176.01128	1.7
176.04765	0.6
177.01944	3.8
177.05576	0.7
179.03572	2.2
187.03990	1.8
188.04858	0.7
189.01959	2.4
190.02687	3.7
191.03494	4.3
193.89786	0.5
201.05510	1.4
202.06419	1.1
203.03473	1.2
203.07114	2.1
204.00633	2.3
204.04248	1.5
205.05026	5.3
210.60732	0.5
215.07033	0.6
217.01343	1.3
217.05019	0.6
219.02899	0.6
221.08214	1.3
221.11801	0.7
229.05034	0.9
231.02890	2.0
232.03508	0.7
243.06601	0.7
247.06096	4.6
259.09647	1.2
260.10043	0.6
272.10480	0.6
273.11191	1.5
287.05731	0.5
288.06326	0.6
293.21091	0.7
301.10684	2.7
315.19577	0.9
317.21295	0.9
319.11865	1.0
331.22531	1.1
333.13507	1.3
333.20618	1.8
333.24380	2.5
334.13971	0.6
341.06570	4.0
361.12958	1.0
374.13806	0.6
375.14471	1.0
417.22763	0.9
419.24298	6.2
424.15216	1.6
429.22946	2.4
457.22324	1.3
458.22864	0.8
459.23703	1.0
496.95267	0.6
498.18860	0.7
502.97540	0.5
519.27631	1.2
537.28625	3.3
543.48120	0.5
563.26794	2.6
581.27478	100.0
582.27844	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	581.2752
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03430	0.9
59.01368	1.3
61.98826	2.1
63.20417	0.4
69.03439	0.7
69.38242	0.5
69.38552	3.8
83.01388	3.8
92.43036	0.4
93.03477	2.5
95.01384	1.1
95.04985	0.8
96.95988	2.3
97.02953	3.7
107.05038	0.8
108.02154	1.0
109.02953	6.8
111.00842	0.5
121.02923	2.9
122.03739	6.9
123.04517	7.8
124.01623	0.7
125.02441	2.8
133.02928	0.8
133.06505	0.5
134.03712	0.5
135.04523	4.1
136.05276	0.5
137.02435	15.3
138.03168	0.9
139.04016	2.6
145.02946	0.6
146.03749	0.9
149.02438	7.2
149.06039	1.2
149.71948	0.4
150.03142	0.7
151.03998	8.8
152.04779	0.7
154.02704	1.0
159.04488	1.8
161.02419	4.1
161.06100	2.9
162.03209	1.8
163.00374	6.6
163.03970	1.9
164.01120	4.0
165.01953	2.7
165.05551	1.0
165.09206	1.6
165.12868	0.7
173.04472	0.7
173.05922	0.5
174.03304	0.6
175.03986	1.5
175.11237	0.4
177.01881	2.5
177.05519	1.2
178.02780	2.8
179.03490	2.8
185.06065	0.4
187.04012	1.4
188.04794	1.0
189.09024	0.5
191.03551	0.8
191.05484	1.0
191.07162	0.8
193.05054	0.5
201.05499	1.3
202.06374	0.9
203.03526	0.7
203.07082	1.7
205.05066	6.0
213.05499	0.7
215.07161	2.2
220.03752	1.2
221.08118	1.0
229.04926	0.7
231.02959	1.1
243.06619	0.6
247.06094	3.5
275.09283	1.0
285.14972	0.5
301.07114	2.5
315.19647	0.9
327.15973	1.4
331.22849	1.4
333.20615	2.6
345.17047	2.1
347.14972	0.7
353.14267	0.6
361.16507	6.4
362.17154	0.8
371.15002	1.5
375.22076	0.5
389.16025	8.3
403.17389	0.9
429.22684	1.9
451.14453	0.7
463.51685	0.6
512.20355	4.1
513.20691	0.7
519.27386	2.1
537.28650	3.5
563.26477	2.8
581.27490	100.0
582.27838	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	581.2748
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	1.5
59.01360	0.8
61.98808	1.5
63.22178	0.3
68.99865	0.4
69.03415	0.6
71.62357	0.5
81.03458	0.5
83.01379	3.9
85.02930	0.5
93.03461	1.8
95.01347	0.5
95.04999	1.2
96.95959	0.8
97.02952	3.4
98.43378	0.4
107.05023	0.9
108.02169	1.3
109.02943	8.2
117.03480	0.5
119.05035	0.8
121.02946	4.4
121.06580	0.4
122.03734	3.5
123.00844	0.8
123.04523	10.8
124.01646	0.7
125.02422	4.0
128.44687	0.4
131.08673	0.7
133.02957	0.9
133.06609	0.9
133.10210	1.1
135.04507	2.6
136.01599	0.6
137.02431	8.0
138.03159	0.7
139.03984	2.4
139.11295	2.9
145.02913	0.9
146.03706	1.6
147.04448	0.9
147.11784	1.2
149.02428	6.9
149.05994	0.6
149.09676	1.5
150.03189	0.6
151.02995	0.4
151.04028	2.9
154.02704	0.8
158.03717	0.4
159.04507	2.1
161.02429	7.4
161.06053	4.8
162.03224	2.8
163.00414	2.0
163.03998	7.7
164.01143	3.0
165.01915	6.8
165.05537	3.0
173.06122	0.6
175.03973	3.2
177.01906	1.2
177.05536	2.8
179.03493	1.2
183.10226	1.0
187.03949	1.6
187.11311	0.6
188.04735	1.3
189.01930	1.7
189.05513	0.8
189.12839	1.0
190.02577	1.0
191.03458	1.5
191.05649	0.8
199.13344	3.8
201.05515	1.2
202.06377	0.8
203.03447	1.1
203.07089	3.2
203.14346	0.4
204.04308	0.7
205.05022	8.6
215.10776	0.4
217.04945	0.6
219.13846	0.9
221.08125	0.7
229.05087	1.1
229.12311	0.6
231.02937	1.7
233.11667	0.4
237.15076	0.5
244.07295	0.4
247.06055	4.5
261.14999	0.8
289.06918	0.5
302.14981	0.5
313.07211	0.8
317.20953	1.0
331.22757	0.9
333.20703	0.5
337.14374	1.2
345.17062	0.8
347.14951	2.0
353.17599	1.0
357.20499	0.8
360.15884	2.0
361.16483	1.9
362.17340	0.5
371.14987	0.6
375.21588	1.3
381.13681	0.5
389.16083	2.6
397.23730	0.7
415.25122	0.8
417.22952	1.8
419.24313	0.8
429.22781	5.4
457.21994	0.4
459.23624	0.9
469.33337	0.6
471.23975	0.4
479.77441	0.4
487.34326	3.2
512.20404	1.3
519.27136	2.1
537.28564	6.2
563.26147	1.8
574.08698	0.5
581.27490	100.0
582.27814	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	581.2755
Annotation	Aralionine A
Peak:m/z	Relative Intensity
55.55545	0.4
57.03444	0.5
58.59262	0.3
59.01374	0.5
63.36646	0.4
65.03934	0.5
69.03453	0.9
70.83973	0.9
81.03447	0.8
83.01381	4.8
93.03453	1.3
95.01383	0.9
95.05024	1.1
97.02960	3.6
106.77335	0.4
107.05014	1.1
108.02142	1.3
109.02952	8.5
118.65548	0.5
120.35371	0.4
121.02953	3.6
122.03742	4.3
123.00900	0.6
123.04511	11.5
124.01644	0.9
125.02420	3.1
133.02979	0.7
135.04507	3.2
136.01613	0.7
137.02432	11.6
138.03151	0.6
139.03996	3.1
145.02905	1.1
146.03688	1.5
147.04431	0.6
149.02449	6.4
149.06039	0.7
150.03198	1.0
151.03990	6.2
152.04654	0.5
154.02664	1.0
159.04517	2.1
161.02428	5.3
161.06055	4.4
162.02046	0.4
162.03172	2.4
163.00366	3.6
163.04008	2.2
164.01161	3.2
165.01920	4.7
165.05554	1.6
173.06056	0.7
174.03204	0.6
175.04004	1.5
175.07730	0.5
177.01895	1.6
177.05531	1.7
178.02724	0.9
179.03438	1.8
187.04074	1.2
188.04723	1.2
189.01874	0.5
189.05525	0.8
190.02718	0.5
191.03484	0.9
191.07066	0.4
201.05551	1.1
202.06343	1.3
203.03484	0.6
203.07115	3.2
205.05037	7.4
215.07108	1.5
217.05026	0.5
219.06554	0.7
220.03752	0.6
221.08150	1.9
221.11697	0.7
225.05563	0.5
229.04945	1.2
229.08641	0.6
231.02927	1.1
239.12762	0.9
242.25700	0.4
243.06552	0.9
245.08134	0.5
247.06062	5.0
247.09825	0.6
257.08060	1.0
289.07080	0.8
301.07083	1.4
301.10330	0.4
315.19482	1.3
317.21271	0.4
327.16006	0.8
331.22681	1.5
333.20599	2.5
333.24039	0.5
345.17126	0.9
361.16537	2.6
375.21780	1.2
389.16193	3.6
429.22733	3.1
444.18198	0.5
512.20374	1.8
519.27228	2.1
537.28937	3.7
563.26465	2.5
581.27478	100.0
582.27802	10.6
590.40686	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.275
Annotation	Aralionine A
Peak:m/z	Relative Intensity
51.68908	0.5
56.96154	0.4
57.03431	1.1
59.01382	0.4
61.98814	0.6
69.03445	0.6
71.38350	0.7
83.01382	3.2
93.03445	2.2
95.05022	1.5
97.02940	4.3
107.05028	0.6
108.02166	1.3
109.02948	8.9
117.03457	0.6
119.05025	0.6
121.02934	2.9
122.03732	4.5
123.00871	0.6
123.04517	11.1
125.02436	2.5
133.02963	0.7
135.04530	3.5
137.02412	6.3
138.03172	0.7
139.03964	2.9
139.11301	0.7
145.02940	1.3
146.03624	0.6
147.04449	0.6
149.02440	8.4
149.06081	0.6
149.09723	0.5
151.03973	3.7
154.02675	0.8
159.04504	1.6
161.02435	5.5
161.06046	4.7
162.03198	2.3
163.00330	2.1
163.04033	2.6
164.01196	2.1
165.01920	5.4
165.05528	1.9
173.04446	0.5
173.05951	0.7
174.88019	0.4
175.03976	1.8
175.07596	0.5
176.01115	0.8
176.04726	0.5
177.01872	2.0
177.05573	2.0
179.03448	1.3
185.05992	0.9
187.03966	1.5
188.04749	0.7
189.01921	0.6
189.05458	0.8
190.02701	1.7
191.03439	1.7
192.05972	0.5
200.04625	0.6
201.05618	2.0
202.06293	1.0
203.03474	0.8
203.07045	3.3
204.00581	0.8
205.05028	8.4
215.07098	0.6
217.01552	0.7
219.06445	0.5
221.08174	1.9
221.11832	1.5
229.05035	1.3
231.02971	1.8
239.12866	1.6
243.06561	1.0
247.06039	5.1
249.14848	0.5
287.23743	0.5
291.90085	0.5
293.21228	1.0
301.10782	2.0
301.14063	0.5
313.77917	0.4
315.19678	1.7
315.46066	0.4
317.21301	0.5
319.11856	0.7
331.22757	2.4
333.20584	2.3
333.24197	0.8
341.06738	1.0
375.21622	1.1
383.18436	0.7
387.25262	0.5
419.24234	2.3
424.15274	1.0
429.22842	3.5
459.23611	0.8
519.27588	1.0
537.28278	3.4
563.26605	2.3
581.27466	100.0
582.27783	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	581.2239
Annotation	Alangilignoside C
Peak:m/z	Relative Intensity
55.01860	1.9
57.03433	0.9
58.00573	1.4
59.01376	31.5
61.27724	0.6
61.98824	17.4
62.98522	0.6
67.01853	0.9
71.01376	21.7
71.46316	0.6
71.61855	0.9
72.99291	2.9
73.02958	3.8
75.00876	0.8
79.95719	1.1
83.01399	4.6
85.02950	8.7
86.00150	0.6
87.00856	2.3
89.02441	13.4
93.03434	3.7
95.01378	3.0
96.96004	8.1
97.02950	0.7
98.95609	1.1
99.00867	2.7
101.02436	13.9
109.02951	5.4
111.04526	0.8
113.02451	7.3
115.03947	2.4
119.03503	5.9
121.02926	1.1
123.00875	6.8
123.04485	0.7
124.01704	1.5
125.02439	2.0
129.01991	0.7
132.02222	1.2
134.03743	1.8
135.04492	2.1
137.02409	2.5
138.03214	12.5
139.03986	2.4
142.88248	0.6
143.03481	1.5
151.02812	0.9
151.03993	7.2
153.01898	7.0
153.05563	11.8
159.04506	0.8
160.01653	4.9
161.02359	1.8
161.04538	0.7
163.04002	0.8
165.01901	5.8
167.03465	0.9
173.04532	2.1
175.04037	6.3
179.03491	1.4
179.72868	0.7
180.04262	3.1
183.62492	0.7
186.03116	0.9
187.03957	2.8
188.04793	1.7
189.05515	1.5
191.05603	8.4
192.06010	1.0
193.05038	1.4
195.02943	0.8
195.06615	6.8
202.06374	2.4
203.07115	2.7
206.05832	0.8
207.06604	1.0
213.06732	0.9
219.06604	0.9
221.08183	2.0
233.08173	7.0
287.05505	0.7
312.06357	1.2
313.07031	2.3
315.08630	1.0
325.07056	1.1
326.07739	1.2
327.08246	1.4
329.06720	0.9
337.09210	7.7
340.09512	1.6
341.06412	0.9
341.10159	2.1
343.08145	1.5
343.11853	1.3
344.08945	2.5
355.11725	2.7
356.08777	1.6
358.10510	4.8
359.11292	8.0
371.11273	7.1
373.12860	12.1
386.13544	1.6
387.14301	0.9
389.12320	4.2
390.13272	1.2
401.16016	4.6
404.14682	7.1
405.15530	3.3
419.17020	27.6
420.17728	1.3
429.10373	3.8
430.10577	0.8
466.09088	1.0
520.25092	0.9
521.25885	6.8
545.14856	4.1
566.19702	4.1
581.22369	100.0
582.14685	1.2
582.22784	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	581.2235
Annotation	Unknow
Peak:m/z	Relative Intensity
51.35563	0.5
59.01376	12.3
59.98473	0.5
61.98831	4.3
62.08239	0.5
62.32722	0.5
66.08913	0.5
71.01389	2.4
73.02932	0.5
79.95750	0.7
83.01360	0.8
85.02927	1.6
87.00866	0.6
89.02438	0.7
93.03445	2.0
96.96008	13.7
98.95591	4.6
98.96381	0.8
99.00845	0.6
101.02413	1.0
107.05030	0.6
107.44067	0.5
108.02197	0.7
109.02938	3.4
113.02429	0.8
116.92841	1.4
121.02932	0.9
123.04509	1.1
125.02445	0.7
128.90123	0.7
133.02943	0.8
134.03722	0.5
135.04521	5.2
136.01714	0.6
137.02438	6.9
145.02975	1.7
147.04503	1.7
148.54944	0.4
150.03186	1.2
151.03990	9.0
152.04825	1.1
153.01945	2.7
159.04526	0.8
161.02393	2.6
161.72182	0.4
163.03967	3.7
165.01900	1.4
165.05554	0.9
166.02684	0.5
166.06326	0.9
167.03444	1.5
173.04517	0.9
174.03197	2.7
175.03979	13.0
175.05490	0.8
176.04808	2.6
177.01913	0.9
177.05550	2.1
179.03523	2.9
179.07057	0.6
180.04263	8.2
181.04979	1.4
188.04755	3.6
189.01755	0.7
189.05557	5.7
190.06354	17.6
191.03822	1.0
191.05576	5.8
191.07126	9.6
192.04263	1.1
192.05904	0.9
192.07678	0.5
193.05005	7.9
194.05820	7.0
195.02943	0.8
203.07117	2.7
204.07831	0.8
205.08670	16.7
206.05800	0.7
207.06636	6.4
208.07394	11.4
217.01329	0.7
222.08936	2.5
223.09610	0.8
266.12891	0.5
269.08231	1.2
299.09137	0.7
311.09283	1.2
314.11655	1.8
326.11389	1.0
329.13943	4.7
341.06699	0.9
341.13892	2.9
374.13525	2.3
389.16022	100.0
390.16403	6.5
406.67694	0.5
419.17102	4.7
446.39618	0.6
519.09534	1.1
521.25415	0.9
563.18292	1.6
581.15198	1.9
581.23053	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.2235
Annotation	Alangilignoside C
Peak:m/z	Relative Intensity
55.01873	1.6
57.03435	0.8
58.00592	1.1
59.01375	27.1
61.98819	3.3
70.93690	0.7
70.94020	0.8
71.01378	17.4
71.48299	0.6
72.99291	1.3
73.02940	1.6
83.01382	4.6
85.02927	5.0
86.00096	1.3
87.00859	1.3
89.02445	10.7
95.01378	1.6
96.96008	0.7
98.20614	0.7
99.00862	1.9
101.02433	9.8
113.02454	5.7
115.04005	2.4
119.03499	4.6
121.02939	0.7
123.00869	5.7
124.01621	1.9
125.02432	0.8
137.02420	1.3
138.03217	16.8
139.03970	2.2
143.03479	2.1
150.03249	1.3
153.05553	10.6
159.04454	1.0
161.04559	0.9
165.05525	1.6
173.99529	0.5
175.03935	1.0
179.05666	0.7
184.98108	0.6
186.03304	0.7
187.03976	3.0
188.04776	1.4
189.05544	1.5
190.02689	0.8
190.06383	0.9
191.05565	1.4
193.07143	0.8
194.45798	0.6
201.05562	0.9
202.06351	3.5
203.07069	3.0
205.05020	1.6
205.08618	0.9
207.06577	0.8
208.07355	0.7
221.08234	1.6
224.24960	0.6
233.08174	9.5
247.09660	0.8
309.07483	0.7
313.07147	1.3
313.90082	0.6
325.07147	0.8
326.07867	1.1
327.08716	2.6
329.06589	0.8
340.09421	1.2
341.06558	1.2
341.10208	2.1
343.08163	1.4
343.11771	0.9
344.09012	1.8
355.11942	2.7
356.08817	1.2
358.10492	4.6
359.11304	9.4
367.10541	1.3
371.11298	6.0
373.12872	12.3
386.13605	2.7
389.11841	3.3
389.16141	2.0
390.12683	0.8
401.15952	4.4
404.14697	7.4
405.15381	3.6
419.17072	26.2
420.17297	1.5
507.31174	0.7
521.25769	1.3
566.20227	4.4
581.22321	100.0
582.22681	8.4
594.49963	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.2238
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	0.6
59.01373	3.7
60.99302	0.6
61.98817	0.6
67.01890	1.6
69.03456	0.4
69.26962	2.2
71.01382	3.1
73.02950	0.8
75.00881	0.4
75.80455	0.3
81.03451	0.7
83.05038	0.6
85.02946	9.2
87.00874	3.9
89.02439	0.4
93.03454	14.2
96.95988	1.2
98.19854	0.6
99.00897	0.4
99.04501	0.4
101.02444	0.7
108.02158	0.6
109.02964	1.9
111.04505	2.8
113.02436	0.7
119.03469	0.3
121.02959	0.6
122.03722	0.3
123.04494	0.3
125.02429	0.3
127.04009	2.5
129.01949	0.4
134.03740	0.8
135.04494	0.8
137.02440	16.0
138.02786	0.3
146.03714	0.5
155.03497	0.8
159.04520	0.8
161.02463	0.5
170.26866	0.2
171.03043	0.6
173.04546	5.3
173.06001	0.5
174.03253	0.6
174.04895	0.4
174.06808	0.5
187.03964	2.4
187.07593	0.5
188.04660	0.4
191.05597	100.0
192.05943	2.0
197.06026	1.0
198.06790	0.7
201.05615	0.4
211.13373	0.7
225.14928	1.4
287.12268	0.3
299.16458	2.7
309.14978	3.2
310.15332	0.3
315.25388	0.3
317.17551	0.9
319.55182	0.3
327.15997	5.5
328.16339	0.3
345.17078	3.3
353.13965	0.5
359.27914	0.3
371.14960	5.2
389.15997	1.1
418.47501	0.3
443.19168	21.4
444.19366	1.4
521.25623	0.3
521.33234	5.6
545.20294	0.3
563.21387	2.4
581.22302	23.9
582.22449	1.9
596.63867	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.2237
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	1.5
58.00592	4.6
59.01375	100.0
61.98822	9.2
71.01378	68.7
71.61839	1.0
71.62186	0.9
72.99299	5.9
73.02961	3.6
75.00869	0.9
79.95741	1.8
81.03456	0.6
83.01392	3.7
85.02947	13.7
87.00867	4.4
89.02438	84.7
93.03458	3.5
95.01374	5.4
96.96005	57.6
99.00898	2.0
101.02441	44.7
109.02958	2.7
111.04553	0.8
113.02443	30.8
113.03241	1.6
119.03494	40.0
123.00929	1.1
123.04521	1.2
125.02468	2.4
131.03481	5.2
133.02960	0.9
134.03745	0.8
135.04591	1.7
137.02419	5.1
138.03247	2.3
139.04028	1.1
143.03482	8.1
145.02864	0.8
147.04529	0.7
149.02496	1.5
149.04530	4.1
150.05611	1.3
151.03999	3.5
152.01128	0.8
152.04811	1.9
153.01956	1.2
153.05606	2.1
158.03796	0.9
159.04457	1.8
161.02460	2.1
161.04567	9.1
163.04018	0.8
165.05617	0.8
166.06358	0.7
167.03554	2.2
173.04555	2.6
173.05966	1.3
174.03358	0.9
175.03934	7.1
176.04820	1.1
177.02014	1.1
177.05545	3.8
179.03790	1.4
179.05588	19.7
180.04282	1.3
187.03975	6.3
188.04762	2.7
189.01930	0.9
189.05588	2.2
190.02583	0.8
190.06363	2.9
191.03830	1.3
191.05588	10.2
191.07149	1.3
192.05919	1.5
193.05029	1.5
194.05801	0.9
195.06673	0.9
202.06224	3.4
203.07161	3.0
204.04335	1.8
205.05067	7.2
205.08681	2.3
207.06732	1.1
217.01573	0.8
217.08762	1.3
219.06671	2.7
219.10371	1.4
220.07376	7.9
221.07785	0.7
235.09712	6.3
239.06738	0.8
309.07718	1.1
309.11014	0.8
313.10876	1.3
325.10880	0.8
327.73746	0.8
341.06598	1.7
341.10379	8.4
345.17029	1.1
355.11832	1.2
356.08960	0.8
356.12790	4.2
371.15201	4.0
386.13678	1.0
389.11154	1.3
389.15845	5.8
389.20587	0.8
399.18735	1.3
401.16003	54.0
402.16431	3.6
419.16672	0.8
503.13745	1.8
521.26251	5.2
563.15332	1.4
581.22479	16.8
582.23059	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	580.3123
Annotation	Unknow
Peak:m/z	Relative Intensity
54.48735	0.3
59.01365	0.8
61.98826	100.0
71.01375	0.3
71.05013	0.3
92.02583	0.3
93.03452	0.5
96.95983	0.4
104.82570	0.2
109.02963	0.4
115.38177	0.3
120.63393	0.3
135.04512	1.0
135.05515	0.2
137.02480	0.8
142.71547	0.3
161.02435	0.7
165.01926	0.5
167.36520	0.2
173.04590	0.8
191.05618	1.6
222.77557	0.3
232.13388	0.3
246.30205	0.3
291.19510	0.3
316.15900	0.3
401.35257	0.3
414.23257	0.4
453.30072	0.4
455.31775	0.9
469.29575	4.4
470.30469	0.5
517.31641	12.8
518.32281	1.3
580.26691	0.9
581.27679	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	580.3333
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01366	0.3
61.98825	100.0
70.94575	0.2
70.94920	0.4
71.01359	0.4
78.98600	0.2
79.95731	0.6
80.96509	3.5
82.87833	0.2
94.98095	0.6
96.96011	0.4
101.02451	0.2
134.97600	0.3
148.99141	0.4
154.19096	0.2
164.98677	0.5
167.38142	0.2
186.24791	0.2
222.36870	0.2
225.00742	0.9
281.24872	0.6
282.25223	0.5
282.93109	0.2
283.25531	0.4
284.25699	0.2
300.35056	0.2
581.29950	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	580.3615
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	13.6
61.98840	1.2
62.73406	0.2
64.02818	0.2
69.39995	1.4
71.01387	0.4
78.95896	4.7
78.98553	0.3
79.95765	0.4
80.96516	3.9
83.12364	0.2
87.00903	0.3
94.98071	0.8
122.97581	0.2
125.78420	0.2
134.97643	0.3
141.62607	0.2
152.98523	0.4
152.99567	0.8
161.55502	0.2
164.98618	0.6
166.85172	0.2
168.04303	1.3
224.06940	0.9
225.00703	0.8
242.07985	1.9
270.61865	0.2
281.24823	100.0
281.66937	0.2
282.25165	5.5
446.46271	0.2
506.32471	34.3
507.32663	2.4
580.28662	6.1
581.28632	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	580.3615
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	18.2
61.98831	3.4
69.35443	3.2
70.17268	0.4
71.01373	1.5
73.02921	0.6
78.95899	18.7
78.98576	1.0
79.95723	1.8
80.96507	12.1
82.96106	0.4
85.02975	0.5
94.98074	3.0
96.96988	0.3
122.97573	0.7
122.98465	0.4
125.02411	0.5
134.97591	0.9
147.11644	0.4
148.99084	1.1
152.98524	0.7
152.99582	2.8
164.98639	1.8
165.98872	0.4
168.04250	2.7
224.06931	8.1
225.00667	2.3
226.01001	0.8
242.07962	1.9
281.24826	100.0
282.25223	5.2
299.04288	0.4
370.19992	0.4
506.32452	71.1
507.32803	6.0
580.28693	23.0
581.28503	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	581.1504
Annotation	Unknow
Peak:m/z	Relative Intensity
55.24847	0.3
59.01374	3.2
61.98823	1.7
65.00319	1.2
68.99833	0.3
69.03430	0.3
70.36359	0.3
70.36712	0.9
71.01382	2.7
72.99315	0.4
73.02944	0.9
75.61404	0.3
77.02999	0.3
80.27675	0.3
81.03451	0.5
83.01373	0.3
85.02946	1.6
87.00876	0.7
89.02454	1.3
91.01887	4.4
92.82368	0.3
93.03451	3.6
95.01411	0.5
96.96001	2.2
97.02962	0.6
98.20549	0.4
99.00878	0.9
101.02472	0.7
107.01336	0.6
108.02174	1.7
109.02945	64.6
110.03279	1.1
111.04462	0.3
113.02454	0.5
115.67905	0.3
117.05578	0.3
119.01388	0.5
121.02951	1.9
123.00884	1.1
123.04518	2.1
124.01620	0.4
125.02415	1.7
127.04044	0.4
127.31527	0.3
133.02950	0.4
134.03641	0.3
135.04500	0.9
136.01697	0.3
137.02440	4.6
147.46698	0.3
149.02429	0.4
150.03299	0.3
151.00380	2.2
151.04002	12.3
152.01144	4.1
152.04332	0.4
153.01926	100.0
154.02266	1.9
159.04503	0.3
161.02425	0.7
163.04001	0.5
165.01926	0.4
165.05569	0.6
167.03462	1.3
173.04486	1.3
175.04033	0.4
177.01869	0.6
179.03490	0.5
187.04037	0.4
189.01910	0.4
191.05597	8.3
195.02983	7.2
223.02490	0.3
225.03983	4.4
231.06914	0.4
233.06638	0.3
267.05063	3.1
273.14993	0.6
283.13342	0.8
285.06125	2.2
291.16092	0.8
327.07181	21.4
327.15680	0.8
328.07553	0.9
345.13193	0.3
345.17136	1.1
363.18021	1.1
365.17871	0.6
369.08234	3.4
371.14899	1.1
381.28061	0.3
389.15912	1.2
407.07843	0.3
407.16855	0.6
411.09225	0.6
429.10318	56.4
430.10724	3.2
442.55060	0.3
466.09222	0.4
477.30786	0.3
503.13275	0.5
520.31848	0.4
521.33051	0.9
549.12549	0.8
563.21021	0.9
581.14886	9.9
581.22778	2.4
582.14557	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.3745
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	0.2
56.45483	0.2
59.01376	10.1
61.98815	0.4
69.32947	0.3
69.33352	1.3
71.01381	2.3
71.39896	0.2
73.02967	0.9
77.53111	0.2
83.01370	0.3
83.18839	0.2
85.02956	0.6
87.00878	0.3
88.16315	0.2
89.02438	1.8
97.02941	0.2
101.02432	2.5
104.91027	0.2
113.02438	1.0
119.03503	0.6
121.58601	0.2
133.05070	0.4
157.05046	0.2
161.04539	1.2
235.08211	2.4
253.09274	12.6
254.09657	0.3
275.54065	0.2
283.26404	100.0
284.26724	4.9
417.63113	0.2
519.35297	0.6
547.74792	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	580.2241
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	2.6
61.98825	100.0
69.38791	1.5
71.01376	2.1
72.01681	0.3
72.99294	0.2
73.02938	0.5
85.02991	0.5
89.02438	3.2
90.02818	0.4
93.03481	0.3
96.95994	1.5
98.19952	0.5
99.00878	1.0
101.02428	1.5
102.36060	0.2
109.02937	0.8
113.02438	0.7
119.03480	0.3
131.03525	0.4
135.04482	0.3
149.04550	2.0
150.04904	0.4
151.05049	0.4
153.01941	1.0
173.04567	0.3
191.05614	1.8
192.05986	0.3
221.06702	0.4
251.07770	0.2
266.35242	0.2
357.95782	0.2
519.24103	0.2
520.24799	1.5
521.25861	2.1
580.14142	1.0
580.23999	1.8
581.15210	0.8
581.31543	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	580.2241
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	1.8
61.98827	100.0
69.48006	1.5
71.01385	1.7
73.02953	0.4
85.02933	0.5
89.02439	2.4
90.02798	0.2
96.96005	1.5
98.19817	0.3
99.00886	0.8
101.02422	1.3
102.02772	0.2
106.16509	0.2
109.02963	0.5
113.02446	0.5
125.02486	0.2
131.03531	0.4
149.04532	1.5
150.04918	0.3
151.03845	0.2
152.13739	0.2
153.01932	0.6
161.04549	0.2
173.04701	0.2
191.05611	1.0
233.60664	0.2
331.46478	0.2
419.17169	0.3
519.24829	0.2
520.24780	1.3
521.26190	0.9
558.94073	0.2
580.13910	0.7
580.23804	1.8
581.14893	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.2657
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	1.1
57.03434	0.7
59.01375	27.7
69.03451	0.6
69.26530	3.6
71.01376	18.5
72.99321	0.7
73.02940	5.3
75.00877	0.5
78.95933	0.5
79.95728	3.8
80.08576	0.5
83.01379	1.7
85.02947	7.2
87.00864	2.1
89.02442	12.8
93.03439	1.6
95.01379	1.4
96.96005	100.0
97.02915	0.9
99.00874	4.2
101.02441	12.1
109.02936	1.2
113.02441	7.1
115.04015	0.7
119.03477	2.6
123.04494	0.7
125.02448	2.7
126.02811	0.7
126.90394	2.1
129.86613	0.5
131.03491	1.0
135.04500	1.2
143.03455	1.0
149.04517	1.7
155.03445	0.5
161.02429	1.1
161.04559	3.5
163.04060	0.7
173.04524	2.0
175.04053	0.8
185.37401	0.5
187.94186	0.5
191.05598	17.5
192.05916	0.8
202.06361	0.6
217.85106	0.5
233.06639	1.0
265.10965	0.5
272.29465	0.5
289.07126	1.2
297.07690	1.2
309.07635	1.6
312.09900	1.1
323.09241	0.6
324.10016	0.8
325.14426	0.8
327.12338	5.8
339.12299	6.0
369.13367	0.6
387.15073	1.0
387.20248	4.2
406.01923	0.6
421.97202	0.4
449.14560	0.7
475.42743	0.5
481.17267	2.3
519.24402	64.1
520.24719	4.7
579.17096	0.6
579.25269	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	579.2839
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81200	0.3
59.01366	0.9
61.98817	0.5
63.96221	0.9
69.03453	0.7
71.01382	7.0
71.38374	0.6
73.02940	1.8
78.98588	5.1
79.95738	9.3
80.34035	0.3
80.96513	58.5
81.03481	0.7
85.02962	2.9
85.07851	0.3
87.00871	2.3
94.98083	12.9
95.01421	0.4
96.96006	1.0
97.02940	1.8
99.00878	0.5
101.02422	1.9
106.98076	2.6
113.02451	0.4
122.97563	2.3
125.02435	2.7
127.03988	0.7
134.97588	3.3
136.99127	1.6
148.99132	6.0
152.98621	4.9
164.98616	12.0
190.41466	0.3
200.01396	0.3
206.99672	2.5
225.00725	14.2
227.53462	0.4
234.73878	0.3
239.28462	0.3
241.57880	0.4
254.90398	0.3
279.23218	2.4
299.04355	2.9
323.18076	0.3
501.87613	0.4
579.28387	100.0
580.28687	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	579.3017
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	2.0
57.03445	2.8
58.00586	1.9
58.01674	0.4
59.01376	44.3
60.01698	0.4
60.99305	0.4
61.98827	7.7
67.01882	0.5
69.03430	0.7
69.72555	1.3
69.72965	0.9
71.01376	46.4
72.99297	3.3
73.02940	10.5
75.00866	16.4
78.95933	0.4
79.46268	0.3
79.95727	0.8
80.26862	0.3
81.03469	0.6
82.95417	2.2
83.01374	6.2
83.05013	0.5
85.02947	21.3
86.00068	0.4
86.03291	0.4
87.00867	2.3
87.04517	0.5
88.98786	0.5
89.02438	22.4
89.86200	0.3
93.03455	3.3
95.01389	3.2
96.96007	17.1
97.02934	1.0
98.20646	0.7
98.95573	0.9
99.00865	5.0
101.02438	29.4
102.02731	0.5
109.02955	1.8
111.00871	1.0
111.04523	0.5
113.02441	17.8
116.92831	0.9
119.03505	7.5
121.02976	0.5
123.04520	1.3
125.02425	2.2
127.04012	0.6
129.01929	1.3
131.03505	0.8
133.02946	0.9
134.03690	0.5
135.04509	2.3
137.02426	2.1
137.09708	0.6
138.46143	0.4
143.03470	2.4
149.02512	0.5
149.04584	1.8
149.05884	0.5
151.00349	1.0
151.03987	1.1
155.03511	0.4
159.03038	2.5
161.02443	4.3
161.04552	8.1
161.05899	0.6
162.02913	0.3
163.03960	0.6
166.02727	1.1
171.10265	0.7
172.05252	0.5
173.04539	3.2
174.03180	0.6
175.03999	1.3
176.04697	0.6
177.01910	1.2
179.03517	1.9
179.05623	2.6
180.03827	0.5
181.05052	1.7
187.03984	0.5
187.07591	0.7
189.01910	1.6
190.02690	0.6
191.03716	0.9
191.05592	17.6
192.05969	1.3
200.04674	0.5
201.98743	0.3
205.05014	0.7
205.08575	0.4
217.01425	2.0
217.14261	0.4
219.02895	0.6
229.14365	0.4
231.02911	0.7
239.06894	0.8
253.09152	0.5
255.19666	0.4
271.05997	0.5
274.86526	0.4
289.07126	2.0
301.03534	0.5
307.12924	0.4
309.07803	2.0
315.12106	0.6
324.09781	1.2
325.14352	1.2
339.12299	2.2
341.06650	4.3
343.15408	1.5
343.21320	1.1
353.08713	0.7
354.09311	0.5
357.26550	1.1
367.71191	0.4
369.13449	2.9
370.36963	0.4
373.09155	1.2
374.99564	0.4
375.27322	0.4
387.10632	0.4
387.14572	4.2
388.14865	0.6
397.16919	0.7
405.15854	0.4
417.16370	2.3
417.24881	18.7
418.25305	0.8
503.25052	3.1
518.26910	0.5
519.24573	6.0
519.31744	16.9
520.24945	0.5
520.32043	1.0
537.32452	2.7
538.32617	0.5
561.18213	1.3
579.30170	100.0
580.30524	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	579.2572
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	5.6
58.83456	3.4
59.01368	15.2
60.99296	5.1
61.98824	30.1
67.01874	12.9
71.01359	9.1
75.00861	55.9
81.03417	4.7
83.01369	5.1
85.02929	8.2
87.00867	22.1
88.46259	3.9
93.03450	100.0
96.95970	4.4
101.15643	4.3
109.02933	7.4
111.04472	12.1
121.02924	5.3
122.03780	4.1
123.04500	5.9
125.02455	18.5
133.02933	12.8
134.03735	7.8
135.04506	32.1
137.02397	14.8
139.04045	6.2
151.03989	8.9
155.03435	5.3
160.01526	4.2
161.02406	13.6
162.54680	4.1
165.01915	11.0
173.04532	82.9
175.04041	4.5
177.01852	6.9
178.02669	14.3
179.03491	7.4
191.05589	65.5
203.03381	3.9
230.26378	3.8
231.10251	5.4
245.08119	4.2
253.08835	4.8
257.08032	4.5
275.09174	11.3
281.11389	4.5
283.03275	3.8
285.04080	4.4
289.17984	9.1
307.19104	13.7
351.06979	8.3
361.11194	4.1
449.14395	42.4
501.93985	3.8
503.33612	15.2
573.69611	4.7
579.26416	47.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.2076
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	2.5
57.03416	3.1
59.01375	94.7
61.98822	26.6
69.03100	2.1
69.03449	2.6
69.23627	13.4
69.24054	9.7
71.01378	69.5
72.99301	6.3
73.02938	15.1
74.12333	2.1
75.00856	7.7
79.95734	5.3
82.95414	13.2
83.01378	8.3
85.02950	30.2
87.00854	6.8
89.02440	68.2
93.03441	8.1
95.01369	6.6
96.13226	2.1
96.96009	100.0
98.19918	5.1
98.95586	2.3
99.00837	3.5
101.02442	46.2
109.02943	14.0
111.04507	3.6
113.02456	27.0
116.92802	4.1
118.89210	2.1
119.03518	24.6
121.02944	3.3
123.04490	7.8
125.02411	7.8
131.03493	4.5
133.02933	9.1
135.04494	15.0
137.02394	8.3
137.09750	2.3
143.03484	8.3
145.02946	2.5
147.04451	2.9
149.02397	3.9
149.04575	4.3
151.03990	10.1
155.03416	2.8
159.04498	3.3
161.02432	22.0
161.04547	12.7
161.05800	3.1
161.89287	2.8
162.03020	2.5
163.03958	5.5
166.02773	3.1
167.29749	2.0
173.04530	19.7
176.04784	2.5
177.01848	9.9
179.03493	8.0
179.05609	18.1
180.03847	3.2
187.03961	3.6
189.01913	15.7
191.03671	5.0
191.05591	67.6
192.05939	8.7
203.03458	2.8
203.06970	3.2
208.91130	2.1
216.00569	2.7
217.01450	12.9
219.02974	3.8
219.06583	2.7
231.03009	4.8
235.07549	3.7
239.06743	4.7
253.08952	4.1
263.07043	6.7
273.04123	2.4
281.08176	14.6
289.07098	7.0
291.06528	3.9
293.08087	4.9
294.08527	4.3
297.07367	2.4
308.10461	4.1
309.07666	53.3
309.11185	4.2
323.09195	6.3
324.10092	31.8
325.10516	3.3
325.14258	3.4
339.12317	56.7
340.12888	2.5
341.06616	31.9
343.15286	6.2
343.21295	11.1
353.08734	4.8
354.08929	5.0
361.16333	4.3
364.74939	2.5
369.13257	8.4
373.09198	5.2
375.27802	2.5
383.04916	2.5
387.14856	12.4
399.18637	3.9
417.15311	9.1
417.24692	8.8
516.12256	4.2
519.24359	14.6
519.31598	41.7
537.32416	7.0
561.17926	4.6
579.19775	17.9
579.30035	65.9
580.30426	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	578.3458
Annotation	Unknow
Peak:m/z	Relative Intensity
51.48837	0.3
52.19823	0.3
59.01377	20.0
61.02114	0.3
69.97064	1.2
71.01381	0.8
78.95897	19.8
78.98572	0.4
79.95736	1.0
80.96514	6.1
82.96068	0.4
93.33540	0.3
94.98067	1.3
98.19994	0.4
122.97565	0.6
122.98527	0.5
134.97575	0.5
152.99588	3.0
164.98631	0.8
168.04327	3.5
212.76080	0.3
224.06914	9.1
225.00752	1.3
242.08003	2.0
248.75385	0.4
261.22180	0.7
279.23257	100.0
280.23669	5.2
331.23758	0.3
411.12076	0.3
504.30917	75.8
505.31311	6.5
519.26715	0.3
546.40808	0.4
578.27130	11.4
579.27185	1.2
588.72668	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.2079
Annotation	Acanthoside B
Peak:m/z	Relative Intensity
59.01374	5.3
61.98826	0.9
69.44831	1.4
69.45240	3.1
71.01368	3.7
73.02936	1.0
75.00853	0.8
83.01406	0.9
84.02165	0.8
85.02943	4.4
89.02435	1.0
93.03441	3.6
95.01373	1.1
95.75476	0.6
96.96002	9.9
97.02897	0.9
99.00911	0.7
101.02445	1.6
109.02946	3.5
111.00849	0.9
111.04523	1.4
113.02422	1.4
116.96456	0.5
121.02937	1.3
123.00895	2.5
123.04517	1.1
125.02444	1.4
127.03989	0.7
133.02954	1.0
135.04529	5.1
136.04849	0.9
137.02432	10.1
146.03648	0.7
147.04507	0.7
149.02396	0.8
150.03220	0.9
151.00351	15.9
151.03983	1.6
152.01108	1.2
152.04776	2.3
159.04590	0.9
161.02446	4.8
161.04541	0.7
163.03995	1.0
165.02003	0.8
166.02701	54.4
167.03366	2.7
173.02357	1.2
173.04527	6.5
174.03204	2.2
174.04874	1.6
175.03978	1.8
177.01918	2.9
177.05603	0.6
179.03459	3.8
180.03813	1.5
181.05046	70.8
182.05365	1.7
185.11852	0.7
188.04805	0.7
189.01910	1.9
190.06325	0.8
191.03590	1.9
191.05582	20.6
192.04250	1.3
192.05905	1.2
193.04964	0.8
201.01866	0.5
202.02737	1.1
205.05040	1.1
205.08760	1.1
217.01372	1.4
219.02937	0.9
219.06702	0.8
269.04645	0.8
289.07388	1.4
341.06619	2.2
343.15390	1.5
353.08798	2.6
354.09018	3.3
359.11169	1.4
369.13269	1.3
387.10666	10.7
387.14590	11.0
388.10922	0.8
402.13162	6.5
417.15512	100.0
418.15939	6.7
513.12909	0.6
516.12103	2.4
519.24799	1.2
519.31616	3.4
537.32880	1.7
551.61682	0.6
561.18134	0.9
579.18176	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	578.1146
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01360	1.7
61.98813	3.3
67.01864	0.7
69.88605	0.7
71.01343	1.2
72.99284	0.9
85.02939	5.0
87.00870	0.9
93.03445	4.0
96.96005	4.4
107.04977	1.0
111.04545	1.7
119.05000	2.4
120.05328	0.8
127.04018	0.7
133.02948	1.6
134.03725	3.3
135.04517	47.6
136.04932	1.1
137.02420	2.4
155.03484	1.8
161.02458	7.0
163.03987	1.9
173.04510	5.1
179.03476	49.2
180.03841	1.8
183.47203	0.7
191.05592	100.0
192.05901	3.0
207.57028	0.7
209.48259	0.7
233.09334	0.7
353.08734	98.8
354.09091	4.4
415.17786	1.1
515.11749	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	578.3459
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	15.4
61.75119	0.2
64.52346	0.2
70.62115	0.5
71.01365	0.3
78.95896	5.6
78.98624	0.3
79.95721	0.5
80.96511	3.5
93.14053	0.2
94.98070	0.8
98.20544	0.2
101.38322	0.2
112.81770	0.2
119.79351	0.2
137.02437	0.6
148.99210	0.4
152.99652	1.3
164.98610	0.5
165.01903	0.3
168.04367	1.1
224.06932	0.4
225.00746	0.6
226.00922	0.2
242.07980	2.7
261.22263	0.5
279.23251	100.0
280.23599	5.9
342.74838	0.2
401.39926	0.2
444.04950	0.2
485.34161	0.2
504.30914	35.7
505.31189	3.3
578.27087	4.3
579.26434	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.3589
Annotation	Unknow
Peak:m/z	Relative Intensity
57.19271	0.2
58.00584	0.2
59.01379	10.9
61.98817	0.3
68.37160	0.2
69.28962	1.8
71.01376	2.2
72.99290	0.2
73.02933	0.8
83.01395	0.3
85.02955	0.6
87.00846	0.4
89.02446	1.9
100.87435	0.2
101.02435	2.2
113.02419	1.1
119.03487	0.5
133.05099	0.3
143.03450	0.3
161.04529	0.9
186.69299	0.2
235.08235	2.0
253.09279	12.8
254.09604	0.3
281.24832	100.0
282.25189	5.2
299.04462	0.6
300.64929	0.2
517.33649	0.7
576.39307	0.2
577.31879	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	578.1146
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	1.3
59.01385	5.6
61.98819	3.8
67.01887	3.5
67.82130	0.8
69.03444	1.4
69.29622	8.7
71.01383	5.6
72.56419	0.8
72.99333	0.7
73.02950	1.3
79.95709	1.0
81.03453	0.9
83.01369	1.0
85.02945	5.9
87.00858	1.9
89.02458	2.6
93.03454	19.4
96.96007	11.7
98.19855	2.2
99.00859	1.6
101.02441	2.4
107.04985	0.9
109.02967	3.0
111.00914	1.0
111.04520	4.9
113.02483	1.6
123.04544	1.5
125.02511	1.9
127.04027	1.8
133.02965	1.6
134.03703	2.6
135.04520	55.6
136.04857	1.1
137.02448	6.1
149.04680	1.2
155.03494	5.4
160.78560	0.9
161.02440	7.5
165.09267	1.0
167.03435	1.5
173.04543	87.4
174.04884	2.3
179.03496	63.4
180.03923	1.8
191.05612	58.3
192.05927	2.4
203.03462	4.1
240.06459	1.1
299.05450	1.1
301.03497	0.9
316.17599	0.9
317.06528	1.6
335.07706	1.5
353.08752	100.0
354.09177	5.0
473.14993	1.0
515.11914	36.0
516.11926	4.4
517.22894	2.0
518.23126	3.8
518.30035	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.2134
Annotation	Unknow
Peak:m/z	Relative Intensity
50.74339	1.6
52.26098	2.1
54.27036	1.8
54.84886	1.8
55.01868	2.2
56.99332	1.9
57.03437	4.0
59.01377	74.3
61.98827	10.1
67.01879	3.5
69.03445	6.5
69.75758	6.1
69.76170	4.8
71.01380	88.9
71.55933	1.9
72.86941	1.9
72.99303	2.7
73.02947	19.5
75.00861	3.1
78.63734	2.0
81.03462	5.0
83.01393	7.2
85.02945	29.0
87.00858	7.9
89.02441	94.5
91.19048	2.2
93.03448	10.7
95.01405	3.9
96.96004	29.9
97.02942	9.0
99.00883	27.1
99.04483	3.4
101.02435	32.5
109.02959	6.5
111.00866	3.3
111.04507	4.4
113.02431	18.0
115.04008	6.5
119.03481	2.8
121.02923	2.3
125.02442	56.2
126.02730	2.3
127.04009	2.7
131.03508	10.2
133.03011	5.1
134.03734	2.2
135.04524	32.9
137.02440	7.0
143.03516	5.2
149.02528	2.6
149.04543	32.2
150.03180	2.2
151.04060	3.3
155.03508	4.0
161.02440	20.2
161.04503	9.7
162.03079	1.9
173.04538	34.1
175.03967	3.5
176.38034	2.1
179.03482	25.2
181.51936	2.2
191.05597	100.0
192.05981	5.1
193.05095	5.3
207.06598	3.6
209.04539	2.3
223.09772	3.6
225.72298	2.1
233.06667	38.1
248.07146	2.6
285.04230	3.3
289.07132	4.7
293.08755	77.9
294.09036	2.5
338.38904	2.6
353.08728	30.6
353.13705	6.7
367.12189	2.4
415.18011	7.6
451.09210	3.8
515.11951	30.3
517.19489	18.2
517.30383	3.8
533.32849	2.5
540.91516	2.6
577.13770	6.1
577.23059	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	577.2504
Annotation	Unknow
Peak:m/z	Relative Intensity
53.35528	1.0
54.90311	1.0
55.01872	0.9
58.00583	2.5
59.01377	72.7
61.98808	1.3
69.91051	0.9
71.01379	49.2
72.99308	1.8
73.02942	15.3
79.95727	6.0
85.02950	8.1
86.72613	1.1
87.00892	1.3
89.02440	100.0
93.03446	2.8
95.01374	1.2
95.95223	2.9
96.96024	5.9
98.20647	2.4
99.00236	2.2
99.00875	31.1
101.02439	45.7
109.02976	1.4
113.02437	7.5
119.03485	4.0
125.02441	6.8
126.02776	1.2
131.03491	14.0
135.04539	1.6
137.02455	1.2
143.03484	5.6
149.04549	81.4
161.02417	2.7
161.04549	7.3
173.04550	3.1
191.05598	37.8
192.05989	1.6
221.06638	11.5
221.34993	1.0
251.07671	8.7
275.07681	2.3
289.07086	1.9
293.08777	5.7
301.03540	2.1
311.09802	11.8
353.14041	2.9
385.16595	3.1
407.07736	1.3
408.18884	1.1
415.17960	2.0
505.52170	1.3
517.22791	3.4
577.23151	87.1
578.23578	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	577.2683
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01367	1.0
61.98825	20.0
63.51231	0.4
63.96220	1.0
65.96616	0.5
69.03467	0.5
70.10215	1.1
70.10606	1.4
71.01379	6.7
72.99264	0.5
73.02930	1.4
78.95899	0.6
78.98585	5.5
79.95727	10.2
80.96513	60.0
81.03436	1.1
85.02965	2.8
87.00865	2.8
94.98081	13.8
96.04639	0.5
96.96000	1.2
97.02931	2.1
99.00877	0.6
101.02429	2.2
106.98097	2.6
110.43009	0.5
116.53780	0.5
122.97540	2.9
125.02428	3.0
127.04034	0.7
134.97556	4.7
136.99091	1.6
148.99127	5.3
152.98604	4.8
164.98616	11.2
169.30969	0.6
206.99623	1.8
216.37315	0.5
224.98619	1.0
225.00728	12.9
225.02975	0.8
254.17662	0.5
277.21713	1.9
279.23300	1.7
299.04385	2.1
504.31003	1.2
527.67828	0.6
577.26813	100.0
578.27155	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	577.1922
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	0.3
57.03436	0.5
59.01098	0.3
59.01376	4.3
61.68894	0.3
61.98819	1.8
66.37484	0.3
67.01867	0.6
68.87878	0.3
69.03442	0.5
71.01385	1.9
72.99298	0.4
73.02946	0.7
78.65459	0.3
79.95708	0.3
81.03449	0.6
83.05051	0.7
85.02945	11.2
87.00870	2.3
93.03452	6.1
96.96011	1.3
99.00883	0.3
99.04508	0.5
101.02449	0.7
106.01244	0.2
109.02927	1.1
109.48339	0.3
111.04535	1.5
113.02424	1.0
119.05057	0.4
121.02943	1.0
123.04527	0.4
125.02438	0.7
127.04020	2.4
132.02174	0.6
133.02991	0.6
134.03752	0.3
135.04523	2.5
137.02460	1.4
146.03702	0.4
150.03203	0.3
155.03424	0.5
158.03717	0.7
159.04533	0.7
160.01628	2.3
161.02452	1.5
161.06049	0.6
162.03073	0.2
171.02966	0.8
171.04425	0.4
172.05324	0.3
173.02464	0.3
173.04556	3.7
174.03214	1.1
175.03879	0.3
176.04788	0.3
179.03494	2.0
185.02434	0.6
185.06032	0.3
186.03119	1.4
187.04030	1.6
188.04678	0.3
189.01999	0.3
191.05592	100.0
192.05983	2.6
195.06598	0.8
198.03218	0.6
200.01222	0.5
200.04709	0.7
206.02243	0.4
211.03987	0.3
211.07675	0.3
212.04710	0.6
213.05492	0.5
214.02686	1.0
214.06355	0.3
215.03543	0.4
225.05730	0.5
226.06343	1.0
228.04245	0.3
247.21323	0.3
273.04266	0.3
279.13705	0.5
287.05795	0.3
289.07166	0.5
297.15005	1.8
313.14496	0.7
315.15903	0.3
323.12900	2.0
327.15942	0.3
331.15274	1.3
339.12302	0.5
341.13919	5.0
342.14359	0.4
357.13376	4.4
359.15051	2.4
360.15189	0.4
385.12881	44.3
386.13208	3.1
403.13794	2.0
415.18033	0.8
455.11978	1.1
533.29919	0.9
577.19318	9.7
577.27563	0.8
577.33838	0.4
578.19568	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.192
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	0.4
59.01373	3.0
61.98823	0.6
66.75152	0.3
67.01857	0.3
69.03439	0.4
70.30143	0.8
71.01374	2.1
72.99305	0.3
73.02964	1.4
75.00878	0.3
83.01368	0.5
85.02933	2.2
87.00857	0.5
89.02425	0.4
89.03944	1.4
93.03451	0.8
96.95996	2.1
99.00850	0.3
101.02441	1.6
104.76600	0.3
106.04224	0.4
106.78757	0.3
109.02947	0.5
113.02457	1.0
117.03452	4.2
120.98871	0.3
121.02951	0.5
123.04456	0.2
125.02474	0.5
132.02150	2.9
133.02959	0.5
134.03731	74.9
135.04218	1.2
137.02438	0.4
147.04520	0.3
149.06061	7.3
153.01929	0.3
160.01640	10.6
161.02461	1.3
161.04523	0.5
161.05910	0.3
173.04539	0.7
175.03986	10.6
178.02660	0.6
179.03532	1.2
189.02179	0.3
191.05605	3.6
193.05040	100.0
194.05350	2.7
255.54214	0.3
269.10245	0.3
341.13855	0.3
351.79373	0.3
359.14877	0.3
385.12909	2.3
401.14246	0.4
435.72720	0.3
455.11963	0.4
455.43069	0.3
472.09329	0.3
577.19183	7.4
577.33362	1.4
578.19885	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.1697
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03438	1.5
59.01375	28.8
61.98825	30.2
67.01891	2.1
71.01373	11.0
73.02930	7.4
73.98316	1.3
75.00849	2.0
79.95740	9.9
83.01364	2.7
85.02941	9.9
87.00879	3.5
88.98797	1.3
89.02454	9.1
93.03455	10.6
95.01414	1.4
95.95242	4.0
96.96003	84.7
98.95599	3.8
99.00904	3.2
99.04510	1.8
101.02438	6.8
107.04993	2.1
109.02956	5.9
111.04475	2.9
113.02440	4.3
116.05077	2.2
117.03428	1.8
119.03463	2.4
119.04996	2.0
123.04469	2.0
125.02432	16.0
127.03977	1.7
131.04576	2.4
133.02953	21.7
134.03763	6.8
135.04515	98.5
136.04843	3.2
137.02432	7.3
149.02452	2.4
149.04509	2.2
151.04016	2.2
159.04454	2.7
161.02431	77.7
161.04562	3.6
162.02780	4.1
165.01959	1.9
173.04550	15.7
175.03905	2.5
177.01845	2.7
179.03477	63.6
180.03891	2.7
189.01924	1.5
191.05588	57.3
192.05965	3.4
195.06602	3.1
203.03426	1.6
219.06906	1.4
229.14403	6.7
231.06935	39.1
231.57060	5.8
232.06857	3.1
239.06705	29.9
239.56950	6.7
240.06726	1.9
245.04507	1.5
257.00348	1.5
258.01611	3.1
259.02563	1.6
272.03290	2.3
273.04178	1.7
283.02673	1.6
289.07153	5.8
301.03522	6.2
331.04507	4.0
336.10944	2.7
353.08609	4.6
353.13647	2.9
365.17868	44.9
366.18137	13.4
367.17807	3.4
381.17142	3.6
383.18988	13.2
384.19229	4.9
385.12555	2.3
399.18448	26.4
400.18814	4.1
407.07565	3.0
415.17892	13.6
463.14395	2.2
498.13959	4.6
517.30011	4.5
523.15912	2.3
541.10059	10.1
541.19153	100.0
542.19470	6.1
577.23236	27.5
577.32068	3.0
578.09149	7.3
578.22876	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	577.1558
Annotation	Unknow
Peak:m/z	Relative Intensity
54.36826	0.6
57.03430	1.3
59.01364	3.7
61.98826	19.9
65.43483	0.7
67.01534	0.6
69.30518	6.5
71.01368	2.9
72.99301	24.9
73.02945	1.5
75.00870	4.0
79.95735	0.8
83.01377	1.0
85.02936	4.1
87.00883	1.5
89.02433	2.9
93.03448	50.7
94.03778	1.1
96.95999	15.4
97.15631	0.6
98.20718	1.1
99.00858	0.8
101.02439	1.9
109.02930	2.2
111.04460	0.7
113.02435	3.0
114.05623	1.4
117.03453	1.6
119.05017	100.0
120.05350	2.1
121.02963	2.1
123.04482	0.8
125.02441	3.3
131.03456	0.7
131.47946	0.6
133.02931	2.0
134.03569	0.6
135.04504	11.9
137.02434	55.3
138.02780	1.6
145.02959	4.9
149.04521	1.5
151.04022	1.6
155.03502	0.8
161.02435	4.8
161.05969	0.8
162.03142	2.5
163.03992	73.0
164.04340	2.2
173.04538	4.8
175.03883	1.3
177.01889	1.1
179.03471	12.9
187.03958	1.1
188.04654	0.8
191.05595	39.6
192.05962	1.3
193.05850	0.7
202.74590	0.6
203.07071	1.0
205.04980	1.1
219.06757	0.8
239.06676	1.6
269.49490	0.7
277.07187	3.0
289.07254	1.2
307.08344	1.2
327.82822	0.8
353.08694	22.9
353.13031	1.5
381.08350	1.1
381.17566	1.0
407.07568	1.3
415.17889	20.1
416.18427	0.9
425.08377	0.9
439.12387	18.9
440.12726	1.6
451.09393	0.9
457.13431	21.0
458.14215	1.6
512.95404	0.7
515.11377	1.4
577.15454	37.0
577.23438	17.9
578.15491	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	577.135
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	14.1
59.01379	0.9
67.01893	0.7
69.03464	0.5
70.25665	0.4
71.01369	0.7
71.38126	0.7
81.03460	1.8
83.01388	4.0
85.02950	0.7
89.02431	0.5
93.03447	2.1
94.28240	0.4
95.01399	0.5
95.05032	2.1
96.96019	1.2
97.02946	3.0
102.31725	0.4
105.03489	0.8
107.05021	1.0
108.02134	0.5
109.02950	15.7
117.03445	0.8
121.02953	2.4
122.03759	1.1
123.03622	0.5
123.04523	11.0
125.02443	100.0
126.02776	2.4
127.71538	0.4
131.05045	0.6
133.02942	3.7
135.04538	2.3
137.02438	20.9
139.04013	3.3
145.02986	0.7
146.03712	0.7
149.02460	4.2
150.03220	1.4
151.03998	9.5
151.05215	0.5
159.04526	2.8
160.05260	1.0
161.02443	24.7
161.06039	2.8
162.03224	2.6
163.00323	1.4
163.04018	2.7
164.01138	4.4
165.01888	3.4
167.03491	1.2
171.04221	0.4
173.04605	0.7
173.06047	1.2
174.03273	0.6
175.03987	7.6
175.07594	1.5
176.00998	0.5
177.01949	4.9
177.05504	0.9
179.03462	4.6
185.06116	1.0
187.03973	5.5
188.04713	2.3
189.05576	0.7
191.05611	5.5
193.05043	0.6
199.04028	0.6
199.07550	0.6
201.05553	1.5
202.06366	1.5
203.03461	1.0
203.07124	8.0
205.01331	1.5
205.05055	5.9
211.03952	0.8
212.04718	0.7
213.05505	0.5
215.03546	1.4
217.05122	0.9
219.02994	0.8
219.06650	0.6
221.08167	1.8
225.05524	0.5
227.03435	1.1
227.07150	1.4
228.04257	0.6
229.05055	2.3
230.05801	0.5
231.02985	0.9
243.02908	2.3
243.06471	0.9
245.04587	3.1
245.08179	11.3
246.08623	0.5
247.06148	1.4
253.05109	0.6
255.02977	4.5
256.03790	2.5
257.04462	1.3
269.04535	0.9
271.05981	1.0
273.04099	3.4
280.98026	0.4
281.04623	3.1
282.01834	0.6
283.02335	1.2
284.16016	0.4
285.04153	1.9
287.05606	8.3
289.07172	54.9
290.07544	2.9
297.07721	0.4
299.05560	6.0
300.06161	0.5
315.08597	0.5
329.06641	1.3
329.97186	0.5
339.08719	2.9
341.06680	0.6
352.00919	0.5
381.09717	2.1
394.42575	0.5
407.07690	39.8
408.08102	3.0
409.09396	0.5
425.08749	16.7
426.09088	1.4
449.08780	0.5
451.10266	11.8
452.10641	1.1
559.12244	1.0
577.13501	6.3
577.23096	2.1
578.13904	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.1356
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	8.0
59.01377	6.1
61.98827	100.0
62.45514	0.5
62.98530	1.0
69.03471	0.6
71.01389	4.9
71.18441	0.8
71.18760	0.8
72.99323	0.9
73.02948	1.4
79.95715	0.8
80.96599	0.5
81.03463	2.1
83.01372	3.6
85.02959	4.2
87.00889	1.3
89.02431	6.1
93.03451	7.6
95.01429	0.8
95.04999	1.3
96.96008	9.4
97.02956	2.8
98.95546	0.5
99.00890	1.8
101.02453	2.8
107.05028	0.8
108.02197	0.6
109.02952	11.5
111.04510	1.1
113.02459	0.6
114.44984	0.5
117.03491	0.7
119.05009	1.2
120.20128	0.5
121.02975	2.3
122.03735	1.9
123.04523	7.9
124.04837	0.6
125.02442	55.8
125.22601	0.5
126.02774	0.9
127.04044	0.9
131.03505	1.3
131.05087	0.6
133.02930	3.6
133.06638	0.6
135.04535	7.3
137.02438	21.3
139.04034	2.6
143.03435	0.5
145.33669	0.5
147.04515	1.3
149.02458	4.0
149.04529	4.9
150.03221	1.4
151.03999	9.2
155.03549	1.5
159.04480	2.9
161.02438	19.9
161.04581	0.8
161.06001	3.0
162.03127	1.9
163.00400	2.7
163.04057	2.7
164.01146	2.9
165.01941	5.1
165.05556	0.9
167.03506	1.7
172.05426	0.7
173.04576	6.0
173.05991	1.3
174.03278	0.8
174.04884	0.7
175.04001	5.5
175.07562	0.5
177.01929	4.4
177.05640	1.9
178.02596	1.0
179.03490	10.1
180.04129	0.6
183.04520	1.0
185.02438	0.5
187.03979	3.6
188.04793	1.8
189.05598	0.7
191.05602	31.1
192.06073	1.7
193.05016	0.9
199.04024	0.9
201.05618	2.0
202.06343	1.5
203.03534	1.6
203.07135	5.0
205.01416	1.4
205.04982	4.1
207.03004	3.8
211.03986	0.8
213.05658	1.0
214.02916	0.5
215.03584	0.7
215.07133	0.8
217.05049	1.4
219.02890	1.0
221.04544	0.8
221.08275	1.0
227.03548	1.3
227.07207	1.2
228.04340	0.6
229.01604	0.9
229.05060	1.6
230.02184	0.9
231.03055	1.1
241.05099	0.6
243.03079	2.0
243.06487	0.8
243.28809	0.6
245.04602	18.1
245.08234	7.0
246.04970	1.0
246.08548	0.5
247.06143	1.0
251.07686	0.9
253.05206	0.9
255.03081	2.2
255.06859	0.6
256.03851	1.3
257.04559	0.7
269.04568	2.0
273.04126	1.8
281.04578	1.0
283.02560	1.2
284.03210	0.6
285.04163	0.8
287.05597	3.9
289.07169	34.7
290.07571	1.4
293.08545	0.9
297.03976	0.8
297.07556	0.6
299.05719	3.8
301.07294	0.6
309.07709	0.6
327.15915	1.1
329.06671	1.5
330.07397	4.2
331.08237	7.0
339.08890	1.6
352.22040	1.1
353.09067	1.1
353.13962	1.2
353.22391	1.3
354.22736	1.0
379.12747	0.6
381.09839	1.3
385.09088	1.4
385.16608	0.7
397.16965	1.1
407.07687	17.5
408.08273	1.7
409.08707	0.9
425.08701	8.9
449.08691	1.4
451.10406	7.2
462.15561	0.5
467.09851	1.8
496.11359	2.5
517.23041	0.7
559.13007	2.3
577.14032	9.5
577.23663	10.3
578.14453	1.4
578.23724	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.1347
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	14.3
59.01357	1.0
62.33195	0.9
67.62015	1.1
69.32720	4.5
69.33148	2.7
71.00973	0.8
71.01382	1.0
72.75983	0.8
81.03452	1.5
83.01384	4.1
85.84128	0.8
89.02460	1.3
93.03452	3.5
95.05027	2.0
97.02930	4.3
97.37564	0.9
109.02940	18.4
114.20749	0.8
117.03506	0.9
121.02919	3.1
122.03708	1.3
123.04512	14.3
125.02437	100.0
126.02785	2.0
133.02957	4.6
135.04500	3.4
137.02429	19.8
139.03935	2.5
139.48984	0.8
139.50507	0.8
145.02904	1.0
146.03766	1.6
147.04460	1.0
149.02411	6.2
150.03261	1.8
151.03986	13.2
159.04462	3.1
160.05269	1.9
161.02426	27.3
161.06050	4.1
162.03062	2.8
163.00378	3.0
163.03951	3.7
164.01134	5.3
165.01932	6.6
167.03461	1.1
173.04527	1.9
173.05995	2.0
175.03987	10.4
175.07608	1.5
177.01900	6.8
177.05360	1.1
179.03532	5.4
185.05992	1.2
187.03987	6.1
188.04695	3.7
189.05573	1.2
191.05569	8.3
201.01872	0.9
201.05519	1.9
202.06285	1.1
203.03496	1.1
203.07101	10.9
205.01497	1.9
205.05063	6.5
211.04004	1.1
212.04749	0.9
213.05493	1.0
215.03593	1.6
217.05038	2.2
219.02754	1.3
221.08124	1.4
227.03514	2.1
227.07124	2.2
228.04305	1.0
229.05022	2.6
231.03038	1.7
241.05086	1.5
243.02922	3.0
243.06703	1.1
245.04503	5.8
245.08134	11.5
246.92317	0.9
247.06171	1.4
253.05035	1.4
255.02954	9.8
256.03720	4.2
257.04453	2.8
269.04529	2.3
271.06094	1.2
273.04126	4.5
281.04477	3.2
283.02454	1.9
285.04007	3.1
287.05585	9.4
288.06152	1.0
289.07147	62.9
290.07462	3.7
297.04108	1.9
297.07465	1.4
299.05606	4.5
329.06766	0.9
339.08707	5.7
381.09595	2.3
407.07660	56.1
408.08105	4.2
425.08765	28.3
426.09494	2.1
433.09790	0.9
451.10254	14.3
452.10535	1.5
455.49237	0.8
559.12604	1.8
577.13434	8.7
577.23004	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	577.1347
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	13.5
58.95576	0.8
61.18545	0.5
66.46833	0.6
69.90029	2.5
69.90440	1.1
78.23643	0.6
81.03454	1.8
83.01379	3.8
88.10681	0.6
91.01915	0.6
93.03448	2.5
95.01375	0.9
95.05012	2.4
97.02946	4.2
99.85514	0.6
105.03470	0.7
107.05033	1.9
108.02194	0.8
109.02943	22.2
117.03468	0.9
119.04939	0.7
121.02946	3.3
122.03762	1.5
123.04518	14.4
125.02438	100.0
126.02798	1.9
127.49254	0.6
131.04977	0.7
133.02969	3.7
135.00922	0.7
135.04536	3.2
137.02431	21.4
137.03493	1.1
138.03204	0.8
139.04031	3.3
145.02971	1.3
146.03755	1.5
147.04533	0.9
149.02444	6.1
149.06082	0.6
150.03194	1.2
151.04001	13.4
158.03714	0.7
159.04498	3.9
160.05255	1.3
161.02434	24.6
161.06067	4.9
162.03169	2.6
163.00374	2.2
163.04021	2.3
164.01137	4.5
165.01930	5.8
167.03482	1.8
170.71933	0.7
173.06033	1.2
174.03386	0.6
175.04005	9.1
175.07651	1.4
177.01923	6.1
177.05611	0.8
178.02625	1.1
179.03528	5.1
185.06018	0.8
187.03989	8.0
188.04753	4.0
189.05530	1.1
190.48755	0.6
191.05659	0.7
201.05600	1.4
202.06337	1.7
203.03563	1.8
203.07121	10.6
205.01398	2.1
205.05029	8.1
211.04056	1.4
213.05536	1.2
214.02603	0.9
215.03461	1.9
217.05009	2.3
221.08206	1.9
225.05624	0.8
227.03513	2.1
227.07132	1.2
228.04221	1.9
229.04974	3.5
230.05750	0.8
231.02922	1.5
231.06671	0.8
232.15877	0.8
243.02975	2.7
243.06725	1.4
245.04510	5.6
245.08145	14.0
246.08565	0.7
247.06114	1.7
250.15416	0.6
253.05159	0.9
255.02936	8.6
256.03720	5.9
257.04437	2.1
269.04538	1.6
271.06119	1.2
273.04059	3.6
281.04529	3.6
283.02496	2.1
285.04050	2.5
287.05655	8.0
289.07153	66.7
290.07516	2.8
297.04141	1.2
297.07693	1.0
299.05563	6.0
329.06720	0.9
331.08185	1.2
339.08673	3.0
363.08743	0.8
381.09860	2.6
395.06064	0.6
407.07660	63.0
408.07892	3.8
424.67337	0.7
425.08749	26.0
426.09235	2.5
451.10278	13.0
452.10440	1.4
539.29297	0.7
559.12354	1.4
577.13538	8.8
578.13983	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	576.3019
Annotation	Unknow
Peak:m/z	Relative Intensity
56.66914	0.2
59.01373	0.4
61.98825	100.0
70.03115	0.8
71.01369	0.5
78.98603	0.5
79.95747	0.6
80.96512	4.5
85.02958	0.3
87.00877	0.3
94.39014	0.2
94.98079	1.2
98.20645	0.2
107.90292	0.2
122.97630	0.2
125.02383	0.2
129.23119	0.2
134.97623	0.2
147.56662	0.2
148.99110	0.4
152.98631	0.5
164.98636	1.0
180.79160	0.2
206.99719	0.4
225.00755	1.1
255.09636	0.2
272.33716	0.2
277.21719	0.5
278.22125	0.8
279.22363	0.6
290.71713	0.2
299.04453	0.2
508.87549	0.2
577.26825	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	576.3021
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	0.3
59.14286	0.2
61.98827	100.0
69.29105	0.5
69.29533	1.1
71.01392	0.7
75.13656	0.1
78.98593	0.4
79.95718	0.7
80.96510	5.3
85.02962	0.3
94.87379	0.2
94.98076	0.9
97.02978	0.2
101.02470	0.2
106.98125	0.2
122.97578	0.2
125.02464	0.2
134.97624	0.4
148.99149	0.6
152.98642	0.3
164.98593	1.1
206.89343	0.2
206.99619	0.3
216.12909	0.2
225.00647	1.2
232.60750	0.2
249.44038	0.2
277.21780	0.4
278.22116	0.7
279.22485	0.3
299.04486	0.3
324.12503	0.2
385.76596	0.2
402.03702	0.2
442.00153	0.2
577.26807	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	576.3301
Annotation	Unknow
Peak:m/z	Relative Intensity
51.32377	0.2
59.01375	18.1
60.01701	0.2
61.98833	0.3
69.77530	1.3
78.95897	6.5
83.04990	0.2
97.46702	0.2
133.37857	0.2
136.71336	0.2
149.60913	0.2
152.99533	1.1
162.14970	0.2
168.04340	1.6
191.05693	0.2
224.06874	0.8
233.22690	0.4
242.07970	2.9
251.22026	0.2
259.20560	0.6
275.20074	0.5
277.21680	100.0
278.22009	5.2
335.15814	0.2
359.83914	0.2
383.76938	0.2
389.43994	0.2
410.49582	0.3
481.82251	0.2
502.29358	42.0
503.29544	3.1
542.83948	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	576.3301
Annotation	Unknow
Peak:m/z	Relative Intensity
53.75109	0.3
59.01374	28.2
59.46920	0.3
61.98836	0.7
62.21484	0.3
67.19526	0.3
70.11633	1.0
70.12053	0.6
78.95897	28.6
86.29923	0.3
87.00856	1.0
91.26094	0.5
96.96005	0.7
122.98524	0.9
152.99586	4.2
160.97820	0.4
168.04297	4.4
202.20003	0.4
204.06627	0.8
205.90337	0.4
215.18910	0.4
224.06918	10.0
233.22720	0.8
242.07957	3.0
259.20575	1.2
277.21686	100.0
278.22015	4.5
502.29346	83.8
503.29678	6.8
576.22797	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.1346
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	2.9
58.00588	0.9
59.01375	29.2
65.03952	1.4
67.01868	1.5
69.03438	1.3
71.01381	27.5
72.70909	1.0
72.99317	1.0
73.02936	8.2
76.06505	1.0
77.29790	0.8
78.95882	1.1
79.95740	3.4
83.01375	3.9
83.04977	1.5
85.02954	5.0
87.00868	1.6
89.02441	38.1
89.03003	1.9
93.03452	2.6
95.95210	2.7
96.80416	0.9
96.96011	13.0
97.02933	2.6
99.00878	15.5
101.02441	11.6
107.05040	2.4
109.02949	10.9
111.00867	1.5
113.02470	5.1
115.04016	1.7
119.03456	1.6
121.02945	3.2
121.58647	0.9
123.04504	3.2
125.02441	31.8
131.03471	4.5
133.02942	1.2
135.04512	3.5
136.05391	1.0
137.02437	13.0
138.06816	2.0
147.04483	1.3
149.02460	5.0
149.04533	10.9
150.03140	1.3
151.04013	14.7
151.07588	1.5
152.08446	9.2
153.09215	9.6
159.04475	1.1
161.02443	9.9
161.04518	2.8
161.05878	0.9
165.01950	2.7
172.05228	1.2
173.04514	3.6
173.05974	1.8
175.03981	4.4
176.75330	1.1
177.01935	3.4
177.05484	1.6
179.03455	2.5
187.04025	1.7
189.01924	1.0
189.05548	1.8
191.05605	22.4
191.07298	1.1
199.04250	1.0
201.05573	2.6
203.03523	1.6
203.07076	1.9
205.04965	1.6
205.12328	16.3
217.05060	1.4
223.13419	1.1
227.07076	1.0
233.06664	5.0
245.08231	2.4
247.06425	16.3
247.56538	7.1
248.06377	4.0
248.56442	1.1
259.06046	5.5
269.04578	3.2
287.05588	36.4
288.05859	2.1
289.07147	17.4
293.08618	6.9
407.07758	1.9
415.18011	1.8
425.09238	1.3
439.10413	1.4
517.22821	100.0
518.23157	5.3
577.23218	88.7
578.23438	5.7
599.13141	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	576.2663
Annotation	Unknow
Peak:m/z	Relative Intensity
56.04808	0.2
56.45127	0.2
57.01533	0.2
57.03452	1.2
59.01371	1.6
61.01802	0.2
61.98827	100.0
69.40656	0.4
69.41061	1.1
71.01389	0.7
73.88243	0.2
80.96510	0.3
81.03458	0.3
83.01398	0.8
85.02963	0.7
87.00867	0.3
89.02445	0.8
89.03957	0.2
93.03453	1.9
95.05047	0.2
96.96006	3.5
96.96579	0.3
97.02977	0.5
98.19933	0.5
101.02460	0.5
107.05024	0.2
108.02210	0.3
109.02957	2.5
111.04509	0.3
120.01365	0.2
121.02979	0.5
122.03786	0.3
123.04537	1.6
125.02440	9.8
133.02962	0.9
134.03757	0.5
135.04547	1.4
137.02434	3.5
139.04027	0.4
149.02480	0.7
149.04581	0.6
150.03210	0.2
151.03987	1.6
159.04489	0.4
160.05197	0.2
161.02428	3.5
161.06087	0.7
162.03175	0.4
163.00385	0.4
163.04027	0.5
164.01198	0.7
165.01894	0.9
167.03508	0.3
173.04532	1.3
173.05867	0.2
175.04004	1.3
175.07613	0.3
177.01947	2.7
177.05501	0.3
178.02586	0.3
179.03523	1.5
187.04065	0.7
188.04802	0.5
190.02711	0.2
191.05595	6.8
192.05927	0.4
193.05092	0.5
194.05394	0.2
199.04118	0.2
201.05571	0.5
203.03534	0.2
203.07133	1.0
205.01428	0.4
205.05061	0.9
207.03011	0.5
211.04028	0.4
215.03479	0.4
217.04961	0.3
231.02849	0.3
239.95090	0.2
243.02982	0.5
244.20689	0.2
245.04492	2.8
245.08148	1.0
247.06305	0.3
255.02957	0.4
269.04489	0.3
271.06400	0.2
283.02521	0.2
285.04175	0.5
287.05682	0.6
289.07187	5.8
299.05688	0.4
329.06656	0.3
330.07550	0.5
331.08359	0.6
351.21710	1.2
352.22086	2.7
353.13934	0.3
353.22366	2.4
354.22568	2.1
407.07666	3.4
425.08862	1.5
451.10358	1.4
453.10626	0.6
458.76535	0.2
467.09665	0.2
527.45630	0.2
559.12305	0.2
576.13116	0.7
576.26477	0.7
577.13989	1.8
577.23627	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	576.2657
Annotation	Unknow
Peak:m/z	Relative Intensity
55.81005	0.2
56.99835	0.2
57.03444	1.5
59.01368	1.8
60.01684	0.2
60.82300	0.1
61.01790	0.2
61.98827	100.0
62.79992	0.2
71.01385	0.7
71.62074	0.2
76.06882	0.2
78.06633	0.2
80.96509	0.2
81.03474	0.4
83.01392	0.5
85.02943	1.0
87.00890	0.3
89.02438	0.9
93.03459	1.5
95.05053	0.2
96.96008	3.4
97.02956	0.5
99.00885	0.2
101.02447	0.4
108.02203	0.2
109.02946	2.0
113.02424	0.2
119.05076	0.2
121.02931	0.2
122.03770	0.4
123.04517	1.7
125.02438	8.0
133.02919	0.9
134.03764	0.5
135.04530	1.2
137.02443	3.3
139.04015	0.2
146.08594	0.2
147.04478	0.2
149.02452	0.8
149.04567	0.6
151.03975	1.4
159.04546	0.6
161.02435	3.2
161.06131	0.3
163.00420	0.5
163.04083	0.4
164.01147	0.7
165.01936	0.7
167.03464	0.3
173.04486	1.1
175.04010	0.7
177.01913	3.2
177.05602	0.3
179.03441	1.5
187.04062	0.5
188.04828	0.2
189.05612	0.2
191.05585	6.5
192.06020	0.2
193.05122	0.4
194.05356	0.3
201.05507	0.3
202.06291	0.2
203.03421	0.3
203.07114	0.8
205.05083	0.6
207.02983	0.6
217.04922	0.2
221.04628	0.2
227.03424	0.3
231.03145	0.3
243.02989	0.4
245.04515	2.8
245.08093	0.9
247.06131	0.2
255.03059	0.3
256.03763	0.2
269.04565	0.4
273.04059	0.3
273.93054	0.2
281.04562	0.2
285.04111	0.5
286.04428	0.2
287.05862	0.9
289.07153	5.2
289.10184	0.3
299.05661	0.5
330.07504	0.6
331.08102	1.0
351.21649	1.1
352.22125	2.3
353.13907	0.2
353.22296	1.9
354.22589	1.5
374.26389	0.2
375.37344	0.2
385.16837	0.2
407.07648	2.5
425.08685	1.1
449.08832	0.3
451.10281	1.0
453.10443	0.2
496.11508	0.2
559.12177	0.2
576.13403	0.4
576.27136	0.9
577.14001	1.7
577.23657	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.3946
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	100.0
59.47828	0.2
60.01717	0.5
61.98845	0.2
74.83570	0.2
78.21354	0.2
78.95919	0.5
96.96017	0.3
97.29460	0.2
113.52402	0.1
125.97459	0.1
131.36562	0.2
152.99631	0.4
154.99954	0.2
176.03915	0.2
197.11913	0.3
241.10826	0.3
293.21207	0.2
392.94089	0.2
432.80423	0.2
514.83722	0.2
539.30627	0.3
552.76202	0.2
575.29987	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	576.1321
Annotation	Unknow
Peak:m/z	Relative Intensity
50.24895	0.7
50.94336	0.8
59.01374	4.5
61.98832	8.3
68.56349	0.8
70.32652	0.9
70.32995	2.7
71.01357	4.1
78.95898	37.6
85.02952	1.4
89.02431	5.0
94.92436	0.8
96.96044	9.3
96.96954	100.0
101.02450	1.3
102.82655	0.7
111.60589	0.8
113.02436	1.9
113.28856	0.7
119.03468	1.4
125.02431	2.5
134.03856	0.8
135.04459	1.1
135.92104	3.3
136.04004	1.2
179.05551	1.0
180.26895	0.8
191.05595	6.8
192.05910	1.3
201.01648	0.8
201.99617	0.8
216.30533	0.9
233.99304	1.4
234.01601	1.9
289.07129	1.1
336.00256	0.8
341.10818	9.8
381.85938	0.8
391.04242	1.0
407.07684	1.3
439.08536	18.3
503.16019	1.1
534.54816	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.3432
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00589	0.3
59.01375	11.4
61.98837	0.4
69.33664	0.9
69.34091	1.1
71.01376	2.7
72.99323	0.3
73.02940	0.9
80.96468	0.2
85.02927	1.1
87.00838	0.4
89.02434	2.8
96.96006	0.9
97.02955	0.2
100.89323	0.2
101.02440	2.7
113.02424	1.4
119.03498	0.8
125.02413	0.3
132.02766	0.2
133.05067	0.2
152.92935	0.2
161.04547	0.8
179.05580	0.2
197.72121	0.2
224.40013	0.2
235.08134	1.5
253.09264	12.3
254.09601	0.3
255.23151	0.4
279.23254	100.0
280.23596	6.5
340.67685	0.2
378.46191	0.2
471.11404	0.3
531.36066	0.4
575.29675	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.3431
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	16.4
60.01707	0.5
61.98824	1.6
65.44846	0.2
69.38914	0.3
71.01385	3.0
72.99268	0.5
73.02935	0.4
83.01375	0.5
85.02951	0.7
87.00872	0.4
89.02444	2.6
99.00910	0.4
101.02432	3.1
101.77769	0.3
113.02424	1.6
119.03507	0.9
138.01370	0.3
138.05113	0.3
161.04550	0.9
171.27591	0.3
180.42923	0.3
191.97333	0.3
202.64732	0.3
235.08266	1.4
253.09265	13.0
255.23329	0.4
279.23260	100.0
280.23560	5.5
515.31830	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.1189
Annotation	Dehydrodicatechin A
Peak:m/z	Relative Intensity
55.79023	0.5
57.03441	1.5
58.88074	0.4
59.01373	1.8
60.44840	0.5
60.53516	0.5
61.98805	1.0
69.84060	2.7
71.01366	1.2
81.03449	1.5
83.01389	2.7
85.02972	0.7
89.03945	1.0
93.03445	2.3
95.05025	1.2
96.96012	2.8
97.02914	1.0
99.04530	0.8
105.03446	2.1
108.02143	0.9
109.02944	4.5
113.88896	0.5
116.05074	0.6
117.03449	0.5
121.02979	2.7
122.03739	4.3
122.97643	0.5
123.00900	0.8
123.04522	5.1
124.01638	0.7
125.01498	0.8
125.02437	17.2
131.04987	0.7
133.02959	6.0
135.04500	1.9
137.02438	18.2
139.03970	1.7
143.04990	0.7
145.02895	1.1
146.03682	0.6
147.04474	1.2
149.02477	3.0
151.04015	3.4
159.04506	1.9
161.02434	13.0
161.06030	0.8
162.03122	1.7
163.00354	1.6
163.04005	2.7
164.01134	2.3
165.01929	4.5
165.74622	0.5
167.03500	3.6
171.04465	1.8
173.02347	0.8
173.04523	2.2
173.05914	0.8
174.03215	1.5
175.03992	7.4
177.01921	61.3
178.02226	1.5
179.03430	1.1
181.05119	0.6
183.04497	1.6
185.06042	1.1
186.03143	0.9
187.04005	3.6
188.04707	1.8
189.01909	1.6
189.05510	2.3
190.02715	0.7
191.03487	1.4
191.05574	1.8
197.05981	0.9
199.03969	4.9
200.04759	1.4
201.01912	2.6
201.05580	3.1
203.03468	3.4
203.07088	1.4
205.04999	1.7
207.02847	0.8
209.06076	0.8
211.04004	2.3
212.04790	1.8
213.05533	2.8
214.02722	0.9
215.03482	6.2
215.07120	0.6
217.05066	2.4
218.05466	0.5
219.06691	0.7
225.02180	0.6
225.05495	1.0
226.02699	1.0
227.03477	6.0
227.06868	0.6
228.04303	2.3
229.01567	2.4
229.05040	8.5
230.02141	1.6
230.05606	0.8
231.02971	4.5
231.06602	1.1
239.03481	1.6
239.06731	2.2
239.56895	0.6
240.04340	1.2
240.06818	0.6
241.01393	0.6
241.05093	4.6
242.02165	4.4
243.02946	20.6
243.06506	2.3
244.03624	3.7
244.12134	0.5
245.04478	2.7
247.06021	1.5
253.05038	1.1
255.02945	4.6
255.06621	1.2
256.03772	2.5
257.04504	5.5
265.05066	1.0
267.03021	1.3
268.03616	1.0
269.04507	3.1
270.01697	1.6
270.05203	1.5
271.02448	25.1
272.02945	1.7
273.03909	2.1
275.05652	2.1
279.03241	0.6
282.42743	0.6
283.02435	2.4
283.06055	0.8
285.04022	4.2
286.04721	0.9
287.05621	6.9
288.05753	0.5
289.07120	0.9
296.03061	0.7
297.03964	1.5
299.05380	0.9
301.03436	0.7
309.03888	0.8
325.03455	0.7
325.07214	0.7
326.04260	1.4
327.05063	1.5
363.08786	0.6
389.06396	0.9
391.08145	0.7
393.09613	1.5
394.06818	10.9
395.07178	1.5
407.07660	4.8
409.09274	1.0
413.08722	1.5
419.08160	0.6
423.07138	2.6
424.08139	0.7
431.07642	0.9
437.08725	4.8
449.08691	10.3
450.09122	1.3
453.10416	4.2
514.76105	0.6
531.12964	0.6
539.34131	1.6
557.10364	0.6
575.11938	100.0
575.31073	2.1
576.12402	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	575.119
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49710	2.0
52.80326	2.2
53.20127	2.1
57.03450	10.8
59.01368	6.4
61.98820	4.7
69.03426	3.9
69.36696	20.1
71.01382	11.4
71.05031	2.7
73.02956	2.5
75.40630	2.3
78.98595	4.5
79.95733	13.6
80.96515	49.9
81.03465	4.9
83.01377	9.6
83.30522	2.2
85.02948	4.9
87.00868	2.6
88.77679	3.2
93.03439	9.4
94.98064	11.7
95.01375	5.7
95.05045	3.9
96.95995	9.3
97.02924	6.8
99.04530	2.6
101.02410	4.4
106.98070	3.8
107.05006	2.8
108.02151	2.9
108.93568	2.2
109.02944	28.0
119.05037	3.4
121.02980	12.2
122.03690	5.6
122.97612	2.8
123.04523	17.1
125.02441	100.0
131.05005	2.5
133.02966	8.1
134.97604	4.5
135.04510	7.8
137.02422	51.7
139.03981	8.9
145.02959	3.4
147.00899	4.0
147.04509	7.1
148.99139	5.6
149.02409	14.3
150.03304	3.0
151.03981	12.8
152.98627	5.6
153.01994	4.1
159.04507	5.6
161.02435	44.2
161.06084	3.3
162.03157	5.2
163.00349	24.0
163.03964	8.3
164.01167	12.3
164.98578	6.7
165.01898	18.5
167.03456	4.5
168.65404	2.3
171.04469	5.6
171.10254	2.8
173.02444	3.0
173.04576	5.4
173.06039	4.1
174.03178	4.5
175.03969	26.3
176.01225	5.4
177.01874	17.0
177.05496	2.7
179.03456	7.8
185.06071	7.5
187.04008	13.4
188.04674	3.1
189.01884	4.2
189.05515	7.4
190.02675	3.6
191.03569	4.7
191.05586	17.2
197.06009	4.5
198.03139	3.4
199.04002	18.5
200.04634	3.0
201.01935	8.0
201.05634	5.3
203.03467	7.4
203.07089	6.6
205.05046	8.5
206.99625	2.9
211.03934	6.5
212.04834	3.7
213.01822	2.4
213.05568	9.7
214.02686	4.1
215.03459	15.5
215.06990	3.1
217.05006	11.6
219.06599	3.1
225.00720	13.2
225.05530	7.0
227.03496	14.9
228.04190	4.5
229.01314	5.0
229.05017	29.4
230.02065	4.4
231.02945	10.2
231.06622	4.0
237.05431	2.8
240.04276	3.6
241.05081	13.2
242.02190	10.2
243.02957	51.9
243.06583	5.1
244.03609	7.7
245.04568	11.5
245.08142	9.9
247.06058	6.1
255.02965	15.6
255.06671	3.0
256.03635	8.7
257.04538	15.1
265.04996	3.4
269.04510	10.1
270.01703	3.2
270.05356	3.0
271.02487	43.9
271.05505	4.3
272.02795	3.2
273.04034	3.8
275.05496	6.4
281.04495	6.3
283.02478	5.5
283.06067	6.0
285.04025	72.2
286.04370	3.8
287.05576	33.1
288.05588	3.3
289.07123	31.8
297.03940	13.1
299.05081	3.6
307.06073	8.4
309.03970	3.9
319.06158	2.8
325.03531	3.5
325.07224	3.3
326.04297	2.9
327.05157	14.2
350.08194	2.7
373.06979	2.6
383.07764	3.0
391.08173	4.3
393.09998	3.4
394.06921	23.4
397.09259	2.9
407.07672	32.9
413.08640	8.6
423.07169	22.0
431.07410	6.4
437.08752	15.6
449.08755	71.8
450.08871	5.6
452.07513	9.8
453.08017	4.5
471.15475	71.4
472.15314	5.4
539.09686	20.0
557.10687	5.6
557.18994	8.2
575.11829	97.4
575.20258	29.6
575.31012	5.1
576.12054	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	573.2916
Annotation	Tricalysioside O
Peak:m/z	Relative Intensity
55.01871	1.9
58.00587	1.4
59.01377	83.3
61.98823	4.0
63.64962	0.7
70.62553	0.8
71.01375	39.8
71.61528	1.3
72.99288	1.8
73.02945	9.0
75.82417	0.7
80.68703	0.7
83.01394	3.9
85.02943	14.7
87.00861	1.9
89.02438	26.1
90.77342	0.7
93.03450	1.8
95.01382	3.2
96.96018	4.8
97.02949	0.7
99.00860	2.9
101.02440	29.2
109.02893	1.1
111.00871	1.8
112.41285	0.7
113.02448	17.6
119.03507	11.6
123.04457	0.8
125.02432	2.0
131.03491	1.4
135.04520	2.0
143.03467	3.5
149.04530	1.6
159.02943	2.6
161.02480	1.7
161.04541	22.5
163.04073	0.8
165.01872	0.8
165.42128	0.8
173.04492	1.2
175.47444	0.8
179.05577	8.4
191.05634	5.1
246.11757	0.8
315.19748	1.4
325.09222	0.9
333.20660	8.6
343.63705	0.8
351.21747	17.0
352.22061	2.1
439.12595	1.4
495.25967	2.2
513.26990	100.0
514.27386	9.8
557.25897	7.0
573.20819	1.8
573.29089	8.9
574.29352	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	575.1193
Annotation	Unknow
Peak:m/z	Relative Intensity
56.24249	1.2
57.03448	8.3
59.01386	6.4
61.98821	4.7
69.33773	12.4
71.01389	2.5
81.03441	1.8
83.01379	5.2
85.02950	1.8
93.03437	4.9
95.01345	2.2
95.05008	3.0
96.95988	8.8
97.02937	3.5
98.19883	2.0
101.02444	1.9
108.02178	2.2
108.25796	1.5
109.02944	24.2
119.01443	1.5
121.02947	12.6
122.03754	2.7
123.00887	1.5
123.04522	13.8
124.01672	2.0
125.02440	83.1
126.02779	2.2
133.02940	4.4
135.00850	1.5
135.04518	6.3
137.02426	25.0
139.03987	3.5
147.00856	4.5
147.04514	5.6
149.02411	13.6
150.03218	2.1
151.04013	10.6
153.01956	1.5
155.04756	1.3
159.04466	4.7
160.01700	3.0
161.02425	23.7
161.06105	4.1
162.03116	3.2
162.98991	1.6
163.00360	29.8
163.03969	4.5
164.01143	10.7
165.01941	15.2
167.03485	2.5
171.04414	3.6
173.02483	1.6
173.04532	2.8
173.05998	3.5
174.03186	4.1
175.03993	19.0
176.01103	5.9
177.01930	19.7
177.05396	1.5
179.03459	5.1
183.04507	1.5
185.06050	3.9
187.04021	7.8
188.04745	2.5
189.01926	2.6
189.05518	3.8
190.02554	1.8
191.03833	2.1
191.05586	12.9
195.04433	1.4
196.05266	1.9
197.06041	1.9
198.03139	2.4
199.04031	9.3
201.01886	4.8
201.05614	3.5
203.03453	4.8
203.07126	6.8
204.00612	2.0
205.01425	3.3
205.04948	6.1
211.03967	1.9
213.05551	5.3
215.03427	5.1
217.01523	2.0
217.05020	13.0
219.02898	2.1
221.08241	2.0
225.05544	2.6
226.02791	1.8
227.03412	4.8
227.06981	2.1
228.04285	2.7
229.05037	5.2
231.03069	2.3
239.03419	1.7
239.07095	1.8
240.04221	1.7
241.04997	8.5
242.02295	1.8
243.03017	8.0
243.06659	3.6
245.04366	3.3
245.08206	12.8
247.06097	2.0
253.05025	3.0
255.02911	12.9
256.03644	2.9
257.04529	11.9
258.05026	1.4
267.02945	3.3
268.03659	1.8
269.04443	4.8
271.02502	2.4
272.03201	1.6
273.03998	2.8
281.04465	3.1
283.02570	2.8
283.06082	3.2
284.03244	2.3
285.04025	100.0
286.04495	5.0
287.05521	12.9
289.07162	61.0
290.07364	2.9
290.83044	1.4
293.04834	1.7
293.08545	1.9
297.03983	7.6
299.05591	1.9
301.03500	2.7
307.06058	13.8
309.04059	5.5
313.03748	1.7
319.06070	2.2
326.03958	1.8
327.05151	9.2
351.21777	11.8
352.22028	23.5
353.22281	8.4
375.04855	2.0
383.07559	4.4
387.04755	6.7
388.06070	2.9
389.06458	1.6
407.07541	21.8
411.07074	8.8
423.07178	49.5
424.07520	2.3
434.06491	1.7
435.07013	2.5
447.07220	7.2
449.08704	64.6
450.09131	4.7
452.07544	16.3
453.08212	7.0
471.10211	3.5
504.50531	1.5
513.11749	2.4
521.99353	1.3
531.12836	2.7
539.09674	24.0
540.10181	2.9
557.10638	5.2
575.11853	79.4
575.19940	2.9
576.12152	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	573.2911
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	20.7
60.01717	0.2
61.98827	0.3
67.12748	0.1
69.43603	0.4
69.44026	0.5
71.01382	0.7
72.99303	0.2
73.02959	0.2
78.51468	0.1
79.10183	0.1
79.82327	0.1
85.02953	0.4
87.00865	0.1
88.98768	0.1
89.02409	0.6
93.03490	0.2
96.96013	1.1
99.16976	0.1
101.02442	1.0
109.02996	0.1
113.02445	0.3
119.03484	0.6
120.01215	0.1
125.02473	0.2
131.07132	0.2
135.04498	0.1
137.02426	0.3
155.03497	0.1
161.02419	0.4
161.04482	0.2
163.00391	0.2
173.04457	0.1
173.08170	0.2
191.05563	0.8
283.02512	0.2
285.04062	0.4
319.18735	0.1
351.21716	100.0
352.22049	6.3
365.23187	0.4
393.22830	0.5
400.18176	0.1
447.07153	0.4
483.26083	0.3
513.26953	2.5
514.27301	0.2
519.24536	0.2
573.09778	0.4
573.29175	1.7
574.30066	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	573.2913
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	23.2
60.01690	0.3
61.50348	0.1
61.98832	0.5
71.01388	0.6
71.18082	0.3
77.64445	0.1
85.02956	0.3
89.02440	0.8
93.03439	0.2
96.96011	1.4
101.02446	0.7
113.02462	0.3
115.67274	0.1
119.03484	0.5
121.77963	0.2
133.05087	0.1
134.03651	0.2
137.56210	0.2
149.02399	0.2
161.02454	0.3
173.04507	0.3
179.05603	0.2
181.04901	0.2
191.05623	1.0
195.73506	0.2
253.19591	0.2
257.19217	0.2
259.95377	0.2
269.19131	0.3
270.65683	0.1
287.20114	0.2
321.20639	0.3
334.11694	0.2
351.21725	100.0
352.22070	6.8
362.44199	0.2
365.23276	0.4
393.22717	0.4
513.26978	2.8
514.27106	0.3
573.20807	0.2
573.29401	3.2
574.29504	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	573.2317
Annotation	Kadsuphilol J
Peak:m/z	Relative Intensity
57.03444	1.3
59.01379	14.4
61.98828	2.1
69.87555	5.2
71.01385	9.7
73.02942	2.4
75.44987	0.9
80.14349	1.1
85.02911	1.6
89.02452	16.0
91.70577	1.0
93.03512	1.5
96.95987	4.5
98.20002	1.6
99.00884	6.2
101.02437	6.4
109.02996	1.5
113.02487	2.0
119.03493	1.3
125.02406	3.6
126.71406	1.2
131.03505	2.4
149.02348	1.6
149.04553	6.8
149.05621	1.2
149.09703	2.8
161.02400	2.4
161.04449	1.5
165.38281	1.1
167.03488	1.4
167.10712	3.6
173.04462	1.8
175.03934	1.5
176.04764	3.6
191.05589	8.7
191.07144	3.1
207.04044	1.1
233.06624	1.2
235.06123	2.5
240.07269	1.2
285.04178	2.4
293.08566	1.4
325.09274	4.1
351.21609	6.2
411.07315	1.2
455.69421	1.3
535.23938	1.6
537.25513	69.7
538.25946	5.2
573.23138	100.0
574.23645	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	573.2909
Annotation	Unknow
Peak:m/z	Relative Intensity
52.97306	0.3
57.03458	0.3
58.00587	0.8
59.01377	22.2
61.98820	0.7
62.56631	0.3
69.34734	0.8
69.35142	2.4
71.00989	0.7
71.01373	11.4
72.91061	0.3
72.99294	1.3
73.02918	0.6
83.01380	0.5
85.02958	2.8
88.58551	0.3
88.98839	0.5
89.02441	12.3
93.03454	0.8
95.01390	1.1
96.76638	0.3
96.96005	3.0
101.02438	6.1
106.53302	0.4
113.02435	6.3
116.55788	0.3
119.03509	7.0
123.85338	0.4
125.02427	1.3
126.53408	0.4
131.03476	0.8
135.04468	0.6
137.02419	1.0
143.03453	1.5
161.02455	0.7
161.04521	3.7
173.04547	0.9
179.03401	0.4
179.03804	0.5
179.05589	8.5
191.05580	1.6
239.06676	0.6
239.56895	0.5
245.04414	0.7
281.04855	0.4
283.02625	0.5
287.20203	0.7
289.21707	1.0
299.21512	0.4
321.20663	100.0
322.21033	6.0
335.22324	2.9
351.21716	59.2
352.22086	3.7
363.21747	2.3
393.22778	1.2
411.06573	0.4
435.07498	0.4
483.25992	7.3
484.26547	0.5
513.27051	0.5
533.94501	0.4
537.32483	1.4
573.21295	0.6
573.29889	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	573.2911
Annotation	Unknow
Peak:m/z	Relative Intensity
51.33426	0.2
56.66719	0.2
59.01376	18.7
61.98827	6.3
71.01369	0.8
71.62008	0.3
73.02921	0.3
79.95725	0.9
83.04996	0.3
85.02960	0.7
89.02435	0.6
90.89429	0.2
93.03455	0.7
95.95213	0.3
96.96004	9.6
98.95575	0.4
101.02435	0.9
107.23073	0.2
113.02425	0.4
119.03458	0.4
125.02454	0.6
129.03560	0.2
132.02145	0.3
133.02936	2.1
135.04489	1.5
137.02391	0.4
145.05020	0.2
161.02428	6.6
165.01855	0.2
173.04477	0.5
179.03462	0.9
191.05511	1.5
231.06929	9.6
231.57059	2.3
232.06784	1.1
232.57010	0.7
239.06654	0.9
255.03113	0.3
283.02386	0.3
351.21713	100.0
352.22067	5.9
365.17828	3.8
365.22812	0.4
366.18188	1.1
383.18787	0.4
393.22845	2.2
472.79031	0.3
511.21442	1.2
513.27063	3.1
572.75928	0.3
573.20618	3.5
573.30383	2.6
573.76605	0.3
574.29608	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	573.2912
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00578	0.5
59.01376	6.3
60.99309	0.5
61.98820	0.4
66.36568	0.2
69.28537	1.8
70.60811	0.2
71.01385	0.6
73.02945	0.6
80.96508	0.2
85.02933	0.6
87.45267	0.2
88.98772	0.4
89.02441	0.6
90.99116	0.1
93.03439	0.2
93.35580	0.2
96.39659	0.2
96.96004	1.1
98.19858	0.4
101.02416	0.4
109.02976	0.2
113.02462	0.3
119.03508	0.4
121.02962	0.2
125.02410	0.4
135.04515	0.4
137.02438	0.4
161.02405	0.4
173.04617	0.4
177.01877	0.3
179.03377	0.2
191.05626	1.2
192.05750	0.2
227.03662	0.2
251.46870	0.2
257.19116	0.5
259.20599	0.7
269.06717	0.2
271.20639	1.0
287.20151	2.3
289.21664	2.2
290.22119	0.2
303.19650	0.2
305.21280	0.6
333.20703	1.8
351.21722	100.0
352.22061	6.0
393.22565	0.5
513.27063	0.4
573.10498	0.3
573.20447	0.2
573.28949	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.2883
Annotation	1-palmitoyl-sn--glycero-3-phospho-D-myo-inositol
Peak:m/z	Relative Intensity
55.09204	0.4
55.15265	0.4
68.04682	0.4
70.47018	1.3
70.47369	0.4
73.15189	0.4
78.95898	54.2
96.96954	11.4
134.98550	0.8
150.98003	0.6
152.99580	50.7
167.24457	0.4
171.00555	0.6
223.00017	1.4
229.11769	0.5
240.98671	1.0
241.01166	26.6
255.23271	66.5
256.23621	3.3
259.02200	0.6
315.04825	8.3
391.22388	4.7
440.36563	0.5
492.43832	0.5
571.28821	100.0
572.29150	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	573.1033
Annotation	Luteoskyrin
Peak:m/z	Relative Intensity
53.16884	0.6
53.71161	0.6
59.01364	0.8
69.03451	2.4
71.01357	0.8
83.01381	11.0
89.02431	1.3
89.42017	0.7
93.03458	4.0
96.96000	2.6
107.04997	0.8
108.02161	0.7
109.02956	8.4
117.03423	0.8
119.04995	0.9
121.02930	1.2
123.04501	1.7
125.02413	4.0
128.10873	0.7
133.02956	1.2
135.04507	1.9
137.02437	65.3
138.02759	1.2
143.04951	1.9
145.02950	2.2
146.03691	1.4
147.04512	5.0
149.02444	1.8
151.03981	2.4
159.04570	3.2
161.02449	7.9
162.03171	2.6
163.00417	1.0
163.04025	4.8
165.01900	4.5
167.03429	1.3
167.04843	0.7
169.02925	1.0
171.04500	2.2
173.02391	5.3
174.03148	1.0
175.03990	12.0
177.01900	1.9
179.03474	5.1
183.04497	1.4
187.03946	5.1
189.01884	3.3
189.05493	4.6
190.02609	1.5
191.03662	5.1
191.05466	5.0
198.03192	0.8
199.03976	8.5
201.01912	11.4
201.05672	0.8
202.02583	1.0
203.03432	3.6
205.01276	0.7
205.04968	1.5
207.02974	1.6
212.04710	1.0
213.05640	1.1
214.02637	1.0
215.03426	6.0
217.01550	0.8
217.05072	1.6
225.05502	0.8
227.03447	4.8
228.04231	1.8
229.01363	1.4
229.04924	1.6
230.01987	0.9
231.03020	3.6
233.04399	1.4
239.03471	1.5
241.05101	1.2
242.02261	1.5
243.02983	6.1
245.04460	2.2
248.01834	0.6
249.05603	1.0
255.02937	2.4
256.03568	0.8
257.04596	1.4
266.40930	0.7
267.02988	0.8
267.06528	0.7
271.02475	0.9
272.03592	0.6
283.02353	1.6
284.03146	1.0
285.04041	4.5
290.05753	0.8
291.06543	1.2
295.06100	1.0
303.06461	1.0
305.04541	1.3
306.05151	1.1
319.06033	1.6
320.06888	0.8
321.07727	1.5
331.06293	0.9
337.06995	0.8
345.07632	1.3
346.04373	0.9
347.05588	1.5
348.06207	1.0
349.07013	1.6
350.04178	1.7
365.06778	1.0
373.07349	1.0
389.06665	1.0
391.04129	0.8
392.05206	2.7
393.06003	1.3
405.06296	1.9
407.07751	1.1
417.06329	1.2
435.07169	23.4
436.07468	1.9
447.07114	2.7
513.23901	0.8
529.11249	1.0
537.25427	2.1
555.09265	3.6
573.10321	100.0
573.24146	2.7
574.10510	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	571.1388
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01366	2.2
61.98825	3.5
62.25581	0.6
71.00516	0.7
76.07020	0.7
82.99647	0.8
84.04511	1.3
94.02964	1.2
95.01384	0.8
96.96002	2.0
98.99084	1.4
108.97536	2.4
109.02888	1.1
110.99113	2.6
123.99778	0.8
125.97823	1.2
126.98591	15.1
128.03586	0.9
138.98599	9.7
148.83458	0.6
149.00647	1.3
149.60750	0.7
151.02226	0.9
153.37865	0.6
154.98079	58.5
158.03687	0.9
175.02194	1.5
186.03200	2.7
191.01767	0.9
191.05588	1.7
198.07851	0.7
214.02641	3.4
215.03319	0.7
219.01187	12.7
247.00632	7.7
262.02969	0.9
272.63678	0.8
288.04651	3.2
383.03040	1.5
383.08279	86.0
384.08655	5.1
398.10620	100.0
399.10870	5.8
571.30518	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	570.1823
Annotation	Unknow
Peak:m/z	Relative Intensity
57.59130	0.5
59.01365	1.3
67.43910	0.5
71.15347	0.8
71.15693	0.6
72.99224	0.5
85.02951	4.9
87.00845	1.6
93.03448	2.5
96.96005	2.9
109.02952	0.6
111.04550	0.7
127.04026	1.2
133.02911	0.7
135.04474	2.5
144.03023	0.8
161.02409	2.4
171.02971	0.9
173.04509	2.8
177.90762	0.6
179.03476	2.1
191.05592	100.0
192.05919	1.8
272.62781	0.5
353.08774	18.5
360.07349	0.6
523.96301	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.1088
Annotation	Unknow
Peak:m/z	Relative Intensity
54.23912	0.5
58.71795	0.4
59.01381	1.4
60.33831	0.5
69.57384	2.6
71.01396	0.5
71.47101	0.5
75.36167	0.5
79.95747	2.0
85.02954	0.7
87.85817	0.4
88.98843	0.6
91.01865	0.9
93.03456	0.6
95.01410	0.6
96.96012	10.0
98.19874	1.0
107.01372	0.7
108.02202	0.6
109.02962	2.4
111.90707	0.4
121.02962	1.9
123.04527	1.5
125.02463	1.6
133.02960	0.6
135.04492	2.3
137.02377	0.8
149.02536	0.8
151.00378	4.2
153.01918	0.5
161.02463	1.6
163.00374	0.7
167.03493	1.7
173.04626	0.9
173.06090	0.9
174.03247	0.8
179.03477	1.8
183.04507	0.6
186.03297	0.7
191.05621	4.1
199.03932	0.7
213.01952	0.9
214.02763	0.6
215.03485	1.6
227.03432	1.9
229.05045	1.6
230.02170	1.1
231.06943	8.0
231.57144	1.0
232.06749	0.7
233.04283	0.5
239.06688	11.8
239.56787	1.6
243.02924	2.0
255.02975	1.0
257.04678	0.8
258.01660	40.8
259.02411	17.0
268.64914	0.5
271.02457	27.8
272.03214	13.5
273.04016	18.3
273.07074	0.6
274.04474	0.8
283.02469	2.1
285.03976	9.2
296.53009	0.5
297.03928	0.5
298.01083	0.8
299.01855	1.4
301.03516	100.0
302.03857	5.8
304.02194	3.1
311.01843	0.8
313.03537	10.6
315.05167	2.1
329.02991	0.9
331.04565	64.4
332.04919	3.1
343.04648	2.6
345.06131	1.0
353.08774	1.4
361.05615	1.1
365.17838	5.4
366.18411	0.9
367.04361	1.1
367.17221	0.5
381.17548	0.6
383.18808	1.0
385.05682	4.7
399.18494	3.0
400.18292	0.5
403.06665	3.0
436.36987	0.5
553.09589	1.1
571.10846	37.6
572.11218	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	571.1389
Annotation	Unknow
Peak:m/z	Relative Intensity
58.07978	0.8
59.01375	5.3
61.98825	6.3
69.81600	4.8
73.03483	0.8
77.16539	0.7
79.95749	1.6
80.98033	1.2
85.02939	1.2
87.86845	0.8
89.02450	1.7
93.03482	1.1
95.01367	0.9
96.96024	2.4
108.97523	6.8
109.02933	1.8
110.99062	2.5
123.99899	2.0
125.97792	3.1
126.98573	6.6
128.03523	2.1
135.04518	1.0
138.98611	5.0
145.02946	1.6
146.04555	1.1
149.00671	3.4
151.02196	1.7
154.98087	28.8
158.03731	1.5
173.04546	1.3
175.02209	2.6
177.00215	1.4
186.03230	4.7
187.03934	1.4
191.05586	3.9
199.15697	0.8
203.01756	1.4
209.11841	2.5
214.02701	5.2
219.01190	24.0
220.01244	0.9
247.00665	16.3
259.87781	0.9
262.02963	2.8
263.00143	1.2
279.23361	0.7
383.08295	72.5
384.08749	4.2
398.10626	100.0
399.10870	8.4
486.83560	0.8
554.85150	0.8
570.30322	1.0
571.31274	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	569.2995
Annotation	LRRK2-IN-1
Peak:m/z	Relative Intensity
50.91934	0.4
55.98998	0.4
59.01347	0.8
60.56292	0.4
61.14642	0.5
61.98831	0.5
63.96251	0.8
67.01858	0.4
69.03490	0.7
70.25721	0.4
71.01382	6.6
72.99275	0.5
73.02937	1.5
78.98586	5.7
79.95736	7.9
80.96513	56.5
81.03442	0.9
83.01342	0.5
85.02962	3.2
87.00870	2.6
90.92703	0.4
94.98080	12.4
96.95984	1.1
97.02911	0.8
98.19832	0.8
100.83013	0.4
101.02432	2.6
106.98076	2.5
107.74829	0.4
112.90538	0.4
122.97602	2.9
125.02433	2.5
134.97571	4.1
136.99142	1.4
148.99132	5.1
152.98622	4.3
164.97287	0.8
164.98615	9.6
206.99693	1.5
225.00722	13.4
269.24872	1.8
299.04422	3.4
363.74924	0.5
380.41879	0.5
442.18674	0.5
507.04117	0.5
569.29950	100.0
570.30316	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	569.3329
Annotation	Unknow
Peak:m/z	Relative Intensity
54.50787	0.2
57.73623	0.2
59.01379	100.0
60.01707	0.5
60.86028	0.2
61.98825	1.7
70.52088	0.4
70.52419	0.2
71.01385	1.1
73.02956	0.4
73.96729	0.2
74.49719	0.2
85.02954	0.7
91.29404	0.2
93.03478	0.9
96.96030	0.4
101.02466	0.6
109.02959	0.5
113.02448	0.3
131.54169	0.2
135.04536	0.3
137.02495	0.2
145.02934	0.3
161.02457	0.4
161.04524	0.3
173.04579	0.4
179.03575	0.3
181.03998	0.2
189.02036	0.3
191.05592	2.9
209.01181	0.2
217.01588	0.3
304.95435	0.2
332.52515	0.2
349.03387	0.2
440.22687	0.2
467.30063	0.4
509.31009	0.3
521.45740	0.2
552.05237	0.2
569.25806	0.6
569.33789	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.3457
Annotation	Unknow
Peak:m/z	Relative Intensity
55.49719	1.4
59.01380	5.8
61.98824	17.9
71.04993	2.1
71.61901	1.6
71.84476	1.4
81.95320	1.1
96.80495	1.2
96.95992	2.9
125.09604	1.3
177.98376	1.1
191.05586	3.2
198.60576	1.2
202.20493	1.2
242.78967	1.4
250.92188	1.1
393.31747	1.6
399.53748	1.3
405.31598	2.8
423.94415	1.3
427.32062	1.6
437.30441	4.4
469.33405	21.5
487.34238	74.1
488.34348	5.9
506.25403	1.2
569.34546	100.0
570.34802	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	570.1827
Annotation	Unknow
Peak:m/z	Relative Intensity
71.60625	0.7
71.61044	0.9
73.98812	0.7
74.05824	0.6
85.02940	6.1
87.00872	1.6
93.03449	3.6
96.96020	4.3
127.03996	1.4
133.02925	1.0
135.04514	3.6
145.06075	0.8
161.02412	1.6
169.24313	0.7
171.02904	0.8
173.04570	4.2
179.03447	2.4
186.23079	0.7
186.27328	0.8
191.05605	100.0
192.05952	3.0
215.51015	0.7
229.11981	1.3
234.62637	0.7
322.53546	0.8
340.76184	0.7
353.08713	17.6
354.09146	1.4
457.46896	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.2599
Annotation	Taxumairol V
Peak:m/z	Relative Intensity
55.01873	1.6
57.03439	2.3
58.00579	1.2
59.01376	100.0
60.01734	1.0
61.98811	3.2
71.01379	56.9
72.01710	1.5
72.99286	3.1
73.02946	10.4
79.95744	2.1
83.01389	4.8
83.05009	1.0
84.00021	0.7
85.02947	17.6
87.00862	3.9
87.05676	0.9
88.98775	0.9
89.02439	35.9
89.39375	1.0
93.03454	5.0
95.01372	3.6
96.96004	17.7
97.02924	1.2
98.95594	1.5
99.00862	4.5
101.02441	37.2
109.02936	1.9
111.04498	1.0
113.02439	27.7
113.06062	1.2
119.03497	12.8
119.04967	1.6
123.04504	1.4
125.02435	3.2
131.03502	2.4
133.02911	3.2
135.04527	6.7
137.02429	1.7
143.03477	6.0
147.08099	1.6
149.04533	1.3
150.03204	1.4
151.03969	1.6
153.01903	1.0
155.03490	0.8
159.02951	3.6
161.02513	8.9
161.04546	31.7
163.04021	0.9
165.05466	0.9
170.20488	0.9
171.10239	2.0
172.94643	0.9
173.04480	4.3
179.03461	3.9
179.05582	12.2
191.05603	21.3
192.06067	1.2
195.06508	1.2
239.06679	15.7
239.56818	9.1
240.06593	4.5
243.17612	1.1
248.07259	1.5
285.18561	4.3
295.13510	0.9
303.19666	4.6
329.17523	15.3
330.17899	1.2
339.04861	2.4
347.18588	42.1
348.18872	3.1
353.08673	3.2
381.17325	3.6
382.17651	1.3
399.18301	2.0
446.69196	0.9
449.14212	2.3
491.22421	0.9
509.23859	80.5
510.24158	6.6
533.26123	2.0
553.22894	9.8
569.09802	2.1
569.25464	14.9
570.11737	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.1507
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	1.5
63.49747	0.6
65.00318	0.6
67.01891	0.6
67.41257	0.5
67.94091	0.6
69.03453	1.2
69.03802	0.5
69.72514	3.4
71.01384	1.5
75.00856	0.7
79.01881	0.7
81.03461	2.7
83.01376	3.7
83.83173	0.5
85.02947	1.8
86.67536	0.5
89.02428	0.8
93.03450	18.8
95.01382	1.5
95.05015	1.4
96.96017	2.7
97.02928	5.4
98.19873	1.0
99.00855	0.9
107.01382	2.4
107.05036	1.6
108.02172	0.9
109.02951	3.5
111.00922	0.9
111.04477	3.3
113.02456	1.4
117.03454	12.3
119.05046	1.4
121.02948	4.2
123.00839	1.6
123.04515	4.5
125.02447	10.0
125.42532	0.6
130.08713	0.8
133.02948	1.1
135.04520	7.0
137.02440	6.8
137.06068	1.1
139.03998	7.2
143.04996	0.9
145.03003	0.9
147.04509	2.0
149.02425	2.4
151.00348	2.4
151.03996	3.2
153.05586	0.7
155.03477	1.4
156.05774	0.7
157.06548	1.4
158.03784	0.6
159.04460	1.5
161.02440	11.1
163.00287	1.2
163.04001	1.8
165.01881	4.3
165.05545	2.3
167.03482	16.1
171.04411	0.8
173.04532	1.5
173.06039	3.2
175.04019	1.4
177.01866	2.7
177.05528	1.8
179.03502	3.1
181.05084	1.3
185.06119	1.5
187.07637	0.9
191.03517	1.6
191.05614	3.4
193.01404	4.0
195.06593	0.8
197.04510	4.3
197.06036	0.8
199.04004	1.2
200.04787	0.9
201.05539	7.1
205.01369	2.1
207.03075	1.1
209.04524	10.7
209.06287	0.9
211.07695	1.1
213.05513	2.1
215.07111	1.7
217.05032	2.2
219.06607	2.1
221.04465	1.0
223.02473	1.8
231.06677	0.8
235.02466	4.5
239.05397	5.9
241.05031	1.8
242.05795	0.7
243.03011	0.7
243.06516	1.8
245.04549	5.3
247.02547	0.8
255.06572	1.1
257.04523	3.5
257.07983	0.9
265.03537	3.1
267.06491	1.5
269.06595	1.0
271.06000	2.2
275.05466	0.8
285.07590	1.0
287.05612	13.6
299.05591	6.1
311.05484	0.8
313.07080	1.3
317.06729	5.3
329.06619	100.0
330.06973	6.3
341.06601	3.3
343.08176	1.3
353.08780	0.6
359.07684	64.6
360.07968	3.6
371.07608	3.0
389.08780	19.6
390.09180	1.5
399.18625	0.8
401.08600	2.3
413.08652	0.8
419.09793	0.9
431.09775	9.7
449.10794	19.0
450.11118	1.1
461.10770	6.8
479.12207	3.1
551.13995	1.2
557.27863	0.6
569.14844	9.2
570.15344	0.7
587.15979	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.1295
Annotation	Unknow
Peak:m/z	Relative Intensity
54.95932	1.8
57.03445	8.2
59.01375	20.7
61.98827	3.0
65.00326	8.8
67.01884	1.9
69.52911	11.5
71.01382	10.8
73.02927	4.0
79.95739	2.6
82.40919	1.5
83.01387	5.4
85.02950	8.0
87.00863	1.7
88.52561	1.3
88.98820	2.5
89.02451	3.7
92.69730	1.4
93.03450	17.9
96.96016	20.9
99.84161	1.5
101.02422	6.0
107.01399	12.6
108.02180	2.5
109.02971	6.9
113.02419	2.7
116.92852	4.8
117.03439	5.4
119.03497	1.6
119.05070	2.9
121.02952	2.8
123.04509	2.6
125.02435	78.3
133.02943	20.5
134.03676	2.0
135.04523	27.6
136.07709	1.4
137.02402	10.9
138.01932	2.0
139.03963	1.7
149.02429	2.6
150.03247	2.2
151.00362	32.4
151.03932	3.6
152.01099	2.4
153.01888	5.5
155.03474	2.4
159.04500	5.8
161.02426	68.6
162.02855	1.7
163.04027	2.6
165.05556	1.9
169.01433	2.0
171.10281	1.9
173.04562	20.2
177.01945	2.7
177.05537	5.2
179.03487	16.7
191.03775	2.5
191.05586	36.0
192.05862	2.9
197.04652	2.5
201.05545	6.3
202.06123	1.5
203.03407	1.4
221.04504	2.9
229.01471	2.2
237.76225	1.4
239.06664	4.4
239.56754	1.8
243.03017	2.0
243.49133	1.7
245.04517	100.0
246.04948	4.6
247.06418	2.6
269.04517	1.9
289.07059	3.6
323.07672	31.6
324.08206	2.4
347.18570	12.0
353.08792	5.0
371.09705	2.6
429.10052	2.2
430.10632	3.6
431.10730	1.9
449.10815	47.3
450.11191	3.5
475.08563	3.2
509.23853	8.3
569.12848	44.8
569.26111	4.4
570.13232	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	569.1295
Annotation	Unknow
Peak:m/z	Relative Intensity
54.95932	1.8
57.03445	8.2
59.01375	20.7
61.98827	3.0
65.00326	8.8
67.01884	1.9
69.52911	11.5
71.01382	10.8
73.02927	4.0
79.95739	2.6
82.40919	1.5
83.01387	5.4
85.02950	8.0
87.00863	1.7
88.52561	1.3
88.98820	2.5
89.02451	3.7
92.69730	1.4
93.03450	17.9
96.96016	20.9
99.84161	1.5
101.02422	6.0
107.01399	12.6
108.02180	2.5
109.02971	6.9
113.02419	2.7
116.92852	4.8
117.03439	5.4
119.03497	1.6
119.05070	2.9
121.02952	2.8
123.04509	2.6
125.02435	78.3
133.02943	20.5
134.03676	2.0
135.04523	27.6
136.07709	1.4
137.02402	10.9
138.01932	2.0
139.03963	1.7
149.02429	2.6
150.03247	2.2
151.00362	32.4
151.03932	3.6
152.01099	2.4
153.01888	5.5
155.03474	2.4
159.04500	5.8
161.02426	68.6
162.02855	1.7
163.04027	2.6
165.05556	1.9
169.01433	2.0
171.10281	1.9
173.04562	20.2
177.01945	2.7
177.05537	5.2
179.03487	16.7
191.03775	2.5
191.05586	36.0
192.05862	2.9
197.04652	2.5
201.05545	6.3
202.06123	1.5
203.03407	1.4
221.04504	2.9
229.01471	2.2
237.76225	1.4
239.06664	4.4
239.56754	1.8
243.03017	2.0
243.49133	1.7
245.04517	100.0
246.04948	4.6
247.06418	2.6
269.04517	1.9
289.07059	3.6
323.07672	31.6
324.08206	2.4
347.18570	12.0
353.08792	5.0
371.09705	2.6
429.10052	2.2
430.10632	3.6
431.10730	1.9
449.10815	47.3
450.11191	3.5
475.08563	3.2
509.23853	8.3
569.12848	44.8
569.26111	4.4
570.13232	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	568.2758
Annotation	Unknow
Peak:m/z	Relative Intensity
57.01228	0.2
61.98825	100.0
69.34407	0.4
69.34807	1.3
96.96027	0.3
98.19926	0.5
99.30103	0.2
117.64532	0.2
119.05034	0.3
140.34546	0.2
145.02925	1.3
148.19749	0.2
163.03979	0.2
170.14835	0.2
191.05579	0.2
505.28278	2.0
569.31226	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	568.3617
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	19.3
61.98828	4.1
67.62594	0.4
70.35416	0.6
70.35824	1.2
71.01366	0.6
75.00855	2.2
78.95900	17.0
80.96510	0.6
85.02914	0.5
96.95937	0.5
106.83099	0.4
112.68237	0.4
113.02382	0.4
142.99243	0.4
152.99582	2.9
168.04343	2.7
193.62845	0.5
224.06917	8.3
242.07980	2.6
255.23230	2.9
269.24826	100.0
270.25162	4.7
279.73489	0.5
448.01050	0.5
450.24734	0.5
494.32477	73.7
495.32776	6.3
505.30026	3.0
568.28790	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	568.1671
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	5.2
61.98826	100.0
64.32439	0.2
66.68468	0.2
71.01382	1.9
73.02956	0.7
82.40053	0.2
83.01406	0.3
85.02959	1.3
87.00876	0.4
89.02452	0.8
93.03458	0.7
96.96015	1.1
98.95533	0.2
101.02431	1.1
109.01720	0.7
109.02978	0.5
113.02431	1.1
115.92065	0.3
121.02972	0.9
122.03289	0.4
123.04514	0.3
125.02433	0.6
133.02945	0.4
135.04584	0.7
137.02454	0.5
150.03217	0.3
151.03951	0.3
160.04027	0.3
161.02446	0.6
161.04549	0.4
173.04515	0.7
179.03616	0.3
191.05617	3.2
210.11024	0.3
271.56778	0.2
289.07343	0.3
507.35367	3.3
508.35541	2.4
567.31689	0.5
568.31262	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	568.2624
Annotation	Unknow
Peak:m/z	Relative Intensity
53.33113	0.2
59.01374	4.4
60.01699	0.2
60.80555	0.2
61.98828	100.0
67.08845	0.2
71.01376	2.0
73.02941	0.4
79.95727	0.4
85.02974	0.7
87.00899	0.2
88.98775	0.2
89.02432	1.9
90.02800	0.4
90.17137	0.2
93.03463	0.3
95.01403	0.2
96.96002	1.8
98.20660	0.4
99.00892	0.3
101.02423	1.3
102.02769	0.3
109.02964	0.3
113.02470	1.1
119.03464	1.0
120.03897	0.3
121.02937	0.3
125.02459	0.4
137.02440	0.4
138.01973	0.2
143.03500	0.3
144.31854	0.2
161.02454	0.7
161.04562	0.7
161.05878	0.2
173.04648	0.4
179.05571	1.2
191.05594	1.8
239.06680	1.6
260.09149	0.2
286.07196	0.4
301.09512	1.0
381.17572	0.4
472.79126	0.3
507.21689	0.3
508.22162	3.2
568.26819	0.6
569.26044	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.2807
Annotation	Unknow
Peak:m/z	Relative Intensity
54.73998	0.9
58.00592	0.9
59.01370	8.6
61.98824	1.4
62.77599	0.9
69.28475	8.8
71.01370	5.5
73.02946	12.2
83.01379	2.6
93.03489	1.1
96.96006	1.7
101.02448	5.9
103.55025	0.8
135.04524	1.5
137.02361	0.9
144.88969	0.9
191.05591	2.1
319.22748	100.0
320.23004	5.8
333.24258	3.3
357.13577	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.3456
Annotation	Actinioerythrol
Peak:m/z	Relative Intensity
61.98824	43.0
69.27151	100.0
74.61932	9.7
83.48412	10.0
88.22632	9.7
96.96014	52.3
98.20653	18.5
132.00615	8.7
147.61267	9.6
267.92542	9.1
439.78519	10.6
478.37869	10.8
480.01163	10.5
567.34454	29.5
568.34680	14.5
580.99036	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	567.1349
Annotation	Unknow
Peak:m/z	Relative Intensity
54.75740	0.4
55.01883	0.4
59.01374	2.2
65.99392	0.4
69.03451	0.5
69.28345	2.9
69.28768	0.9
71.01381	4.7
72.99308	1.4
73.02943	1.4
83.01395	0.7
85.02940	3.0
89.02444	1.4
93.03454	17.8
95.01414	0.7
96.96008	3.1
97.02951	0.5
98.95584	0.6
99.00881	1.5
101.02436	1.8
108.02171	51.2
109.02962	11.0
113.02426	2.5
119.03453	0.6
121.02944	0.9
123.04458	0.5
125.02440	0.9
125.35500	0.4
133.02959	1.4
134.03754	1.2
135.04521	4.3
137.02437	25.3
138.02722	0.7
139.04111	0.4
151.03999	0.9
152.01143	100.0
153.01939	5.1
161.02429	2.8
161.04515	0.6
163.03993	4.2
173.04584	1.0
177.01941	1.2
179.03490	2.9
189.05627	0.5
191.05612	2.9
192.27646	0.4
193.05002	0.4
205.05113	0.4
207.02982	1.1
215.90352	0.4
234.92673	0.4
264.24591	0.5
271.08447	0.4
272.12756	0.4
297.06064	0.7
315.07217	1.1
345.17255	0.5
359.11563	0.5
367.21255	1.7
370.21021	0.5
375.14023	0.6
405.15582	0.7
429.10315	16.2
430.10767	1.1
447.11365	19.2
448.11499	0.8
469.33200	0.5
479.15768	0.5
521.26147	4.2
531.17145	4.1
531.24133	0.7
545.79150	0.4
566.30255	0.6
567.13501	99.8
568.13715	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	566.3325
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	3.5
60.15961	1.0
61.98827	100.0
71.61949	1.1
81.31596	0.9
92.01820	0.9
96.96006	2.2
99.29144	1.1
167.51138	0.9
173.04532	1.0
191.05568	1.7
201.28897	1.2
399.99152	0.9
418.19614	1.3
506.34842	1.1
532.93506	1.2
566.29901	2.2
567.29651	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.1345
Annotation	Unknow
Peak:m/z	Relative Intensity
52.05365	0.6
57.03423	1.8
59.01369	9.0
61.98815	3.7
63.63390	0.9
65.03947	1.0
69.03452	0.9
69.41708	0.7
71.01382	7.7
71.61852	0.8
72.99314	2.2
73.02938	2.4
79.95721	1.2
81.03485	1.1
83.01368	1.0
85.02940	4.8
87.00893	1.9
88.98798	1.2
89.02438	2.6
93.03455	81.8
94.03777	1.2
95.01369	1.3
96.96005	10.5
97.02970	1.5
97.17638	0.7
98.95570	0.8
101.02436	3.3
108.02167	43.5
109.02955	14.6
111.04519	1.0
113.02424	3.7
114.93309	1.0
115.04764	0.7
115.92072	2.5
116.92809	1.2
119.03500	1.5
119.05029	3.8
121.02934	2.3
123.00835	1.3
123.04539	1.6
125.02410	2.5
127.82775	0.7
133.02972	2.7
134.03725	1.0
135.00880	0.9
135.04526	4.1
137.02438	100.0
138.02792	1.1
143.66127	0.7
147.04677	0.8
149.04550	0.7
151.00366	1.2
151.04015	2.4
152.01144	95.4
153.01944	7.8
159.04486	1.0
161.02425	7.6
161.04575	0.8
163.03984	4.0
165.02046	0.9
166.05208	0.9
167.03450	1.2
173.04573	2.9
175.03964	1.0
177.01953	1.4
178.02397	0.8
179.03473	2.7
183.04590	1.2
191.03831	1.3
191.05580	9.8
192.05858	1.4
197.06140	1.6
211.03914	1.3
227.03445	3.0
238.06035	1.1
242.08154	5.2
243.06445	1.7
243.08614	2.9
245.04500	0.8
247.06425	1.0
249.05879	0.8
255.02962	3.0
267.02878	0.9
271.02405	1.6
272.03308	1.5
273.04047	4.1
275.09467	0.9
283.02454	41.0
284.02899	1.8
285.04013	1.2
296.03241	1.2
301.03439	11.0
302.03934	1.2
313.03543	1.2
315.07208	1.2
325.03656	1.3
331.04581	3.4
341.08759	0.9
379.48068	0.9
403.06937	8.8
405.14960	2.4
411.09576	1.2
421.07785	8.1
429.10333	92.0
430.10727	4.4
447.06384	1.3
447.11713	2.8
459.11572	1.4
507.22726	1.9
523.12506	3.2
567.13251	71.8
567.23547	2.6
567.33838	3.8
568.13745	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	566.2453
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03463	0.2
59.01376	3.2
61.98827	100.0
68.70964	0.2
69.57758	1.2
71.01371	1.5
73.02924	0.2
79.95717	0.3
81.21265	0.2
83.05021	0.2
85.02972	0.9
87.00858	0.3
89.02447	1.3
93.03421	0.8
95.01426	0.2
96.96017	2.7
98.95612	0.3
101.02449	0.7
109.02949	0.5
113.02451	0.6
119.03510	0.5
120.25584	0.1
121.02982	0.3
125.02434	0.3
133.02968	1.0
134.03764	0.2
135.04521	1.8
136.04904	0.4
137.02507	0.9
148.04045	0.2
150.03217	0.2
151.03998	0.3
153.01907	0.4
158.05984	0.2
161.02440	3.3
162.02794	0.2
165.05620	0.2
173.04596	0.3
179.03508	1.0
179.05661	0.6
180.03761	0.3
180.96147	0.2
189.01918	0.2
191.05609	2.0
201.05365	0.2
204.06633	0.3
253.09818	0.3
289.07193	0.3
327.15976	0.9
342.07120	0.3
354.79846	0.2
412.23071	0.2
428.06723	0.4
472.15076	0.7
506.26056	0.6
506.34085	0.5
507.22913	0.2
529.19446	0.5
530.20062	0.9
566.23969	0.7
567.16290	0.3
567.24512	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	566.2453
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52749	0.1
59.01369	0.2
61.98826	100.0
69.42275	0.1
69.57655	0.5
69.58067	0.2
71.01377	0.2
73.02946	0.1
85.02937	0.1
89.02416	0.1
93.03480	0.3
93.23214	0.1
96.96021	0.4
98.19851	0.1
101.02458	0.2
109.02927	0.1
113.02455	0.1
119.05058	0.1
121.02925	0.2
122.02518	0.2
128.73450	0.1
133.02930	0.1
135.04544	0.4
136.04837	0.2
137.02434	0.3
142.06642	0.3
146.89632	0.1
161.02466	0.4
162.02835	0.1
166.05078	0.1
173.04576	0.3
179.03448	0.5
183.03099	0.1
191.05595	0.6
242.08319	0.1
283.02429	0.9
285.03973	0.1
290.07883	0.1
301.03522	0.2
325.03607	0.1
341.08820	0.2
403.07401	0.2
421.07602	0.2
442.82153	0.1
472.15332	0.1
490.16537	0.1
503.12790	0.1
506.26053	0.4
508.37711	0.1
529.19739	0.1
530.19934	0.4
566.09491	0.2
566.24817	0.1
567.11554	0.5
575.05817	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	565.0475
Annotation	UDP-glucose
Peak:m/z	Relative Intensity
62.96393	0.8
69.55183	2.0
78.95898	100.0
96.95958	1.3
96.96954	36.8
98.19881	0.6
111.02002	8.4
120.96940	2.1
138.97993	2.7
146.35156	0.3
150.97993	3.1
158.92528	13.7
162.97934	0.4
164.03572	0.8
168.99133	0.3
174.98038	1.4
176.93555	1.1
192.99033	1.5
211.00098	4.7
241.01170	9.4
272.95654	4.7
280.02200	1.9
305.01779	0.9
307.61975	0.3
320.97726	2.4
323.02811	60.8
324.03284	2.2
380.81250	0.5
384.98499	3.8
402.99539	1.9
420.81750	0.4
421.81894	0.5
422.81937	0.8
565.04706	26.3
566.05176	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	565.3227
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	3.0
58.00591	1.4
59.01376	100.0
61.98825	7.1
65.22470	0.9
67.01906	1.2
68.46622	0.8
69.03458	1.0
70.25143	0.9
70.99463	2.0
71.01377	23.9
73.02949	6.5
79.95753	1.4
82.95403	2.0
83.01384	3.6
85.02948	13.8
86.00063	1.0
87.00883	3.1
89.02441	5.2
90.07563	0.9
93.03445	7.2
95.01384	4.3
96.96005	37.2
97.02933	1.2
99.00851	2.0
99.37711	0.9
101.02431	11.3
109.02973	5.6
111.04514	1.5
113.02439	13.4
121.02944	1.9
123.04503	3.9
125.02448	3.8
129.61963	0.9
133.02917	2.7
134.03709	2.1
135.04500	4.2
137.02423	6.5
143.03485	2.1
149.02435	1.6
149.06032	1.0
159.02925	0.9
160.55795	0.9
161.02463	4.6
161.04581	5.1
161.05782	1.1
162.03224	1.1
162.57919	1.0
163.03978	1.8
165.01936	4.7
173.02290	1.2
173.04599	6.8
173.05917	1.8
174.04875	1.1
175.03915	1.9
177.01927	5.5
179.03522	1.7
179.29297	0.8
181.05064	1.7
188.04767	1.5
189.01952	12.0
191.03523	2.9
191.05580	16.0
192.05937	3.2
193.06004	2.7
203.03461	1.0
203.07144	1.4
205.05077	1.8
215.07216	1.0
215.98604	1.0
216.00578	4.2
217.01399	9.6
218.01657	1.1
225.05344	1.0
229.01416	1.9
231.02940	2.1
231.10291	1.1
242.02045	1.1
242.08138	2.6
245.08228	1.3
271.06021	1.1
283.02402	1.1
288.06372	3.0
289.07144	4.5
299.05362	1.0
315.08658	1.5
315.25439	1.8
317.26880	3.6
327.04953	3.3
329.23212	1.4
341.06528	4.1
372.15137	1.5
373.15594	2.7
397.90103	1.0
419.11389	11.3
449.08807	1.2
449.14304	1.2
461.31165	61.9
462.31396	4.6
463.23477	1.2
467.15347	2.2
479.32242	17.3
480.32233	2.3
494.70804	1.3
505.33817	17.8
521.33740	5.4
523.34448	2.9
529.15039	3.6
547.15442	2.1
565.15625	4.8
565.23846	2.0
566.16943	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.343
Annotation	Unknow
Peak:m/z	Relative Intensity
54.56136	0.3
55.01879	1.5
57.03446	2.9
58.00589	1.1
59.01376	94.5
60.01721	0.7
60.99313	0.2
61.98817	2.0
67.01899	0.9
69.03456	1.1
71.01379	30.6
71.62035	0.4
72.99305	1.4
73.02942	6.5
75.00883	0.3
78.30795	0.2
79.95750	0.8
81.03457	0.7
83.01389	3.7
84.02171	0.5
85.02946	19.4
86.00108	0.7
86.03282	0.5
87.00870	3.5
87.04529	0.3
88.98769	0.3
89.02438	11.0
93.03456	7.9
95.01382	3.6
95.05019	0.4
96.96004	4.1
97.02954	1.7
97.06588	1.2
99.00888	2.9
101.02440	14.9
105.18596	0.2
106.95982	0.3
108.02178	0.3
109.02953	3.4
109.06578	0.3
111.00891	1.1
111.04520	1.3
112.01678	0.5
113.02441	17.5
113.09663	0.7
115.04033	0.4
119.03506	3.0
121.02959	0.6
123.04520	1.6
123.08139	1.5
124.01687	1.2
125.02415	2.3
127.03996	1.7
127.11294	0.9
128.03574	0.3
129.01956	0.5
131.03558	0.4
133.02963	1.2
134.03685	0.5
135.04524	2.2
135.60741	0.3
137.02420	1.3
137.09743	1.1
139.11343	0.4
141.09207	0.7
143.03490	2.9
145.03012	0.3
147.04482	0.5
149.04570	0.8
150.03229	0.4
151.04018	1.3
155.03535	0.8
155.10805	1.3
157.12256	0.6
159.03023	0.8
159.04523	0.9
160.01698	0.5
160.05318	0.5
161.02449	2.8
161.04523	4.2
163.03958	0.4
163.07539	0.3
165.05705	0.3
169.12317	0.7
171.02859	0.3
171.10287	0.6
171.13945	0.7
172.05290	1.5
173.04546	6.9
173.06000	0.6
174.03244	0.6
174.06859	0.3
177.01936	0.6
179.03461	1.7
179.05719	0.6
183.13890	0.5
186.06763	0.4
187.04012	1.1
187.07527	0.4
187.13399	1.6
189.01929	0.7
191.05594	39.1
192.05937	1.6
197.06061	0.3
198.06841	0.3
199.03940	0.7
200.04781	0.9
200.14069	0.4
201.05557	0.5
201.14905	1.7
202.06288	0.5
203.07036	0.4
203.12767	0.6
211.04140	0.3
211.07622	0.4
211.13414	1.1
215.07132	0.4
217.01430	0.8
227.03481	0.8
227.07034	0.4
228.04257	0.7
229.08711	0.4
229.14470	0.7
230.15265	0.5
231.03024	0.4
241.04848	0.5
253.09280	2.5
255.02884	0.5
256.03729	0.3
258.01697	0.7
267.06754	0.3
269.04269	0.3
271.02405	0.5
273.04022	0.4
279.03104	0.3
281.04492	0.9
281.15466	1.0
283.02536	0.4
283.13406	5.7
284.13647	0.4
289.07162	1.3
293.04486	0.3
295.06131	1.3
299.05554	0.5
299.16644	0.4
301.03427	1.9
301.14401	1.8
307.06131	0.9
309.07663	1.4
309.14886	4.2
310.15253	0.3
311.09375	0.5
311.12897	0.6
323.05676	0.6
323.09302	1.0
324.10077	0.5
325.14508	0.4
327.12311	0.4
327.15948	5.7
327.21680	4.4
328.16360	0.3
329.13907	2.3
331.04486	0.8
333.19318	0.4
337.07355	0.5
339.08667	0.9
339.25110	0.3
341.06573	1.0
341.27042	1.7
344.18301	0.5
345.13214	0.5
345.16977	6.6
346.17175	0.7
347.20602	0.6
351.08755	2.4
352.09476	0.7
353.09943	0.5
353.13940	2.4
357.26663	0.5
359.28006	10.5
360.28299	0.4
371.14966	17.6
372.15228	1.7
379.08035	0.6
381.09760	1.2
388.22006	0.3
389.16040	1.5
401.28970	0.6
407.07678	0.6
450.53525	0.3
455.29910	0.7
459.10846	0.5
467.30023	0.7
473.31226	1.0
485.12305	0.8
485.31079	0.9
501.30338	0.4
503.13437	11.3
503.32205	100.0
504.13995	1.8
504.32507	7.3
504.39862	0.5
519.16467	0.6
521.33228	34.2
522.33588	2.5
542.42932	0.4
545.13275	0.6
545.21191	1.7
545.33008	1.6
563.15436	7.7
563.22455	3.1
563.33832	5.0
564.10980	0.4
564.15149	0.4
564.34198	0.3
583.30090	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.343
Annotation	Unknow
Peak:m/z	Relative Intensity
54.56136	0.3
55.01879	1.5
57.03446	2.9
58.00589	1.1
59.01376	94.5
60.01721	0.7
60.99313	0.2
61.98817	2.0
67.01899	0.9
69.03456	1.1
71.01379	30.6
71.62035	0.4
72.99305	1.4
73.02942	6.5
75.00883	0.3
78.30795	0.2
79.95750	0.8
81.03457	0.7
83.01389	3.7
84.02171	0.5
85.02946	19.4
86.00108	0.7
86.03282	0.5
87.00870	3.5
87.04529	0.3
88.98769	0.3
89.02438	11.0
93.03456	7.9
95.01382	3.6
95.05019	0.4
96.96004	4.1
97.02954	1.7
97.06588	1.2
99.00888	2.9
101.02440	14.9
105.18596	0.2
106.95982	0.3
108.02178	0.3
109.02953	3.4
109.06578	0.3
111.00891	1.1
111.04520	1.3
112.01678	0.5
113.02441	17.5
113.09663	0.7
115.04033	0.4
119.03506	3.0
121.02959	0.6
123.04520	1.6
123.08139	1.5
124.01687	1.2
125.02415	2.3
127.03996	1.7
127.11294	0.9
128.03574	0.3
129.01956	0.5
131.03558	0.4
133.02963	1.2
134.03685	0.5
135.04524	2.2
135.60741	0.3
137.02420	1.3
137.09743	1.1
139.11343	0.4
141.09207	0.7
143.03490	2.9
145.03012	0.3
147.04482	0.5
149.04570	0.8
150.03229	0.4
151.04018	1.3
155.03535	0.8
155.10805	1.3
157.12256	0.6
159.03023	0.8
159.04523	0.9
160.01698	0.5
160.05318	0.5
161.02449	2.8
161.04523	4.2
163.03958	0.4
163.07539	0.3
165.05705	0.3
169.12317	0.7
171.02859	0.3
171.10287	0.6
171.13945	0.7
172.05290	1.5
173.04546	6.9
173.06000	0.6
174.03244	0.6
174.06859	0.3
177.01936	0.6
179.03461	1.7
179.05719	0.6
183.13890	0.5
186.06763	0.4
187.04012	1.1
187.07527	0.4
187.13399	1.6
189.01929	0.7
191.05594	39.1
192.05937	1.6
197.06061	0.3
198.06841	0.3
199.03940	0.7
200.04781	0.9
200.14069	0.4
201.05557	0.5
201.14905	1.7
202.06288	0.5
203.07036	0.4
203.12767	0.6
211.04140	0.3
211.07622	0.4
211.13414	1.1
215.07132	0.4
217.01430	0.8
227.03481	0.8
227.07034	0.4
228.04257	0.7
229.08711	0.4
229.14470	0.7
230.15265	0.5
231.03024	0.4
241.04848	0.5
253.09280	2.5
255.02884	0.5
256.03729	0.3
258.01697	0.7
267.06754	0.3
269.04269	0.3
271.02405	0.5
273.04022	0.4
279.03104	0.3
281.04492	0.9
281.15466	1.0
283.02536	0.4
283.13406	5.7
284.13647	0.4
289.07162	1.3
293.04486	0.3
295.06131	1.3
299.05554	0.5
299.16644	0.4
301.03427	1.9
301.14401	1.8
307.06131	0.9
309.07663	1.4
309.14886	4.2
310.15253	0.3
311.09375	0.5
311.12897	0.6
323.05676	0.6
323.09302	1.0
324.10077	0.5
325.14508	0.4
327.12311	0.4
327.15948	5.7
327.21680	4.4
328.16360	0.3
329.13907	2.3
331.04486	0.8
333.19318	0.4
337.07355	0.5
339.08667	0.9
339.25110	0.3
341.06573	1.0
341.27042	1.7
344.18301	0.5
345.13214	0.5
345.16977	6.6
346.17175	0.7
347.20602	0.6
351.08755	2.4
352.09476	0.7
353.09943	0.5
353.13940	2.4
357.26663	0.5
359.28006	10.5
360.28299	0.4
371.14966	17.6
372.15228	1.7
379.08035	0.6
381.09760	1.2
388.22006	0.3
389.16040	1.5
401.28970	0.6
407.07678	0.6
450.53525	0.3
455.29910	0.7
459.10846	0.5
467.30023	0.7
473.31226	1.0
485.12305	0.8
485.31079	0.9
501.30338	0.4
503.13437	11.3
503.32205	100.0
504.13995	1.8
504.32507	7.3
504.39862	0.5
519.16467	0.6
521.33228	34.2
522.33588	2.5
542.42932	0.4
545.13275	0.6
545.21191	1.7
545.33008	1.6
563.15436	7.7
563.22455	3.1
563.33832	5.0
564.10980	0.4
564.15149	0.4
564.34198	0.3
583.30090	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.2625
Annotation	Unknow
Peak:m/z	Relative Intensity
56.70982	4.9
58.55711	4.7
58.65145	4.0
59.01373	35.6
61.98820	17.6
66.08762	4.2
68.60391	4.6
69.03453	5.5
71.01365	9.4
71.28417	4.8
71.62016	6.3
78.95902	5.5
79.52596	4.6
85.02938	11.8
89.02437	5.2
90.49618	4.1
93.03461	28.3
96.96001	20.9
105.13201	4.5
111.04540	7.4
113.21641	4.5
133.02936	8.8
135.04529	23.8
137.02440	6.2
150.03249	6.1
161.02361	8.4
163.84546	4.4
167.43739	4.5
173.04552	33.3
173.62550	4.8
178.02748	5.5
187.07568	6.0
191.05609	100.0
211.13371	5.1
226.73616	4.8
231.53809	4.4
249.03665	4.3
291.19537	12.5
293.08594	5.9
309.15024	4.7
327.15741	7.5
345.17026	9.4
371.15027	28.1
542.86926	5.8
563.21393	16.6
590.08228	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	563.2705
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	2.0
57.03440	3.1
58.00595	0.8
59.01378	24.4
59.82825	0.7
61.98832	6.9
65.04115	0.8
69.03445	1.3
69.52682	6.2
71.01381	31.9
72.99311	1.5
73.02942	13.8
75.00903	1.1
79.95726	2.6
80.89507	0.8
83.01373	5.2
83.84499	0.7
85.02946	15.0
87.00874	3.3
87.38192	0.7
89.02448	16.8
92.34129	0.7
93.03466	5.0
95.01376	2.4
96.96005	6.7
97.02962	2.0
99.00871	8.2
99.04518	0.8
99.18934	0.8
101.02441	27.7
109.02951	1.9
111.04494	2.0
113.02438	10.7
115.03994	1.3
116.05020	0.9
119.03492	1.8
119.05042	1.0
123.04527	1.4
125.02411	3.2
131.03473	2.6
133.02916	1.8
135.04526	4.5
137.02463	1.3
143.03462	1.5
149.04572	5.0
155.03537	0.9
159.03021	1.7
159.04382	1.0
161.02472	5.7
161.04546	7.3
163.03976	3.5
164.04358	1.4
173.04527	6.9
179.03430	2.6
179.05696	0.8
179.94957	0.9
187.04004	1.1
187.07684	1.0
189.01883	1.5
191.05605	28.7
209.15431	3.5
217.01385	1.1
218.63286	0.8
224.06746	0.9
233.06696	1.0
243.02972	0.9
244.27846	0.8
255.02992	2.2
257.04404	1.7
257.11737	0.8
283.02484	2.3
293.09045	1.0
299.05643	3.7
301.14194	0.9
327.15976	3.0
337.09219	1.0
338.09583	1.1
341.06430	1.3
345.16983	2.0
353.08777	1.1
371.15067	4.8
371.20682	15.1
372.21051	1.0
407.07642	7.2
440.99756	0.9
457.16446	0.8
466.08887	2.7
482.13177	2.1
503.13129	2.6
503.24966	100.0
504.25339	8.6
521.23938	1.5
545.20868	0.8
548.89777	0.9
563.16162	1.9
563.25464	21.3
564.22437	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	563.2131
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	1.0
57.03448	2.4
58.00583	1.4
59.01375	61.1
61.98827	9.1
67.01871	2.7
69.03452	1.3
71.01376	29.9
71.62103	1.4
72.99285	2.2
73.02942	25.1
73.33815	0.9
74.98228	0.9
79.95729	4.1
81.03457	1.8
82.51688	0.9
82.95411	1.3
83.01398	7.6
83.04974	1.2
84.36111	1.0
85.02950	14.6
87.00870	7.2
88.98810	1.9
89.02447	10.2
92.83471	0.8
93.03455	20.9
95.95203	1.0
96.27880	1.0
96.96006	76.6
97.02931	1.4
98.95610	1.5
99.00886	3.0
101.02438	26.5
104.05366	0.9
109.02954	8.1
111.04508	3.7
113.02435	10.4
119.03460	2.8
121.02946	2.3
122.03655	1.3
123.04505	3.0
125.02413	4.4
127.03984	2.5
131.03484	2.0
133.02950	8.4
134.03818	1.9
135.04527	15.4
136.04829	1.4
137.02452	6.4
143.03459	1.9
145.02930	1.4
146.03709	4.9
147.04512	2.3
149.02383	0.9
149.04527	3.3
149.06047	1.1
150.03220	2.1
151.03975	3.4
155.03482	4.6
159.04500	1.5
160.01585	1.1
161.02434	22.7
161.04526	5.6
161.05969	2.1
162.02811	2.1
164.04744	1.5
165.01897	2.2
165.05568	3.3
173.04547	38.1
173.05978	1.7
175.03966	2.9
177.01880	3.6
177.05569	2.4
178.02460	1.2
179.03493	10.6
179.05745	1.1
179.07120	5.7
187.04010	4.5
187.07617	1.9
189.01900	3.7
191.05592	100.0
192.05992	5.3
193.06140	1.5
195.06651	1.3
200.04771	1.1
201.09261	1.7
203.03436	1.1
203.07040	1.6
211.07573	1.0
217.01349	2.7
227.03571	2.1
227.12788	1.4
228.04146	1.9
229.08620	2.2
231.06897	6.2
231.57085	1.9
232.06894	1.5
238.06348	1.4
239.06839	2.1
239.10727	1.2
243.02736	1.5
245.04463	1.2
245.08121	1.2
255.02901	6.4
255.10172	1.7
256.03595	1.9
257.04529	4.4
266.05722	1.5
267.06400	1.3
267.10248	1.2
269.04364	2.0
269.11758	1.5
270.05099	1.1
271.09995	1.8
273.04279	1.0
281.04297	1.1
283.02502	2.5
283.09723	11.1
283.13324	4.0
289.07175	3.5
295.06174	1.2
295.09723	2.6
296.10263	1.3
297.03983	1.5
298.12000	2.0
299.05612	9.1
300.06000	1.1
301.03378	1.5
301.14285	2.6
311.09244	22.8
311.12698	1.3
319.05997	1.4
325.10641	2.2
326.11615	14.5
327.12170	1.5
327.15869	8.6
329.13739	2.4
335.07565	1.3
341.06610	3.5
341.10181	1.8
341.13907	24.2
342.14053	1.6
345.16873	6.7
351.08627	1.3
353.09100	1.6
353.13998	2.5
365.17960	7.9
366.17990	1.8
371.14951	22.2
372.15134	1.5
383.18802	3.2
389.15881	3.0
401.18073	9.0
407.07739	13.1
408.07834	1.0
422.10059	1.3
447.07312	1.6
466.08865	6.5
473.18384	2.3
482.13306	1.8
485.18088	3.9
491.19232	2.5
503.13147	8.1
503.18817	1.8
503.24973	4.2
503.32132	7.9
521.33234	2.0
533.20020	4.6
545.20093	7.2
563.14764	2.3
563.24139	15.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.2129
Annotation	Unknow
Peak:m/z	Relative Intensity
52.56552	0.2
57.03436	0.4
59.01376	3.3
60.99280	0.3
61.98814	0.7
64.77284	0.3
67.01878	1.0
69.03416	0.3
69.33608	0.7
69.34009	1.5
71.01369	1.5
73.02935	0.7
81.03441	0.5
83.01421	0.3
83.05032	0.7
85.02946	11.4
86.16473	0.3
87.00871	3.0
89.02434	0.2
93.03455	6.8
96.96001	0.4
98.20625	0.5
99.00902	0.4
99.04510	0.5
101.02444	0.4
109.02931	1.2
111.00858	0.3
111.04511	1.8
113.02428	0.5
121.02940	0.8
123.04498	0.8
125.02446	0.5
127.04020	2.6
129.01990	0.2
132.02155	3.5
133.02962	1.4
134.03741	1.9
135.04521	2.4
137.02411	1.0
146.03729	0.9
147.04523	0.3
148.05214	0.5
149.02448	0.7
151.03934	0.3
158.03706	0.5
159.04549	0.4
160.01643	12.1
161.02333	1.2
162.03200	1.1
163.03911	0.3
165.05560	5.9
171.03014	0.6
171.04433	0.6
172.05289	1.1
173.02415	0.4
173.02982	0.4
173.04521	5.4
173.05978	0.4
174.03175	3.0
175.04012	0.8
176.04764	1.2
177.01915	0.4
177.05533	0.4
178.02681	0.9
179.03493	0.9
182.03706	0.3
183.04539	0.2
184.05359	0.3
185.02393	1.0
186.03209	0.7
187.04010	0.7
187.07515	0.3
188.04700	0.4
191.05591	100.0
192.05922	2.3
195.04517	0.3
199.03947	0.9
200.01089	0.4
200.04762	4.2
202.02663	0.7
203.07095	0.4
206.02138	0.5
211.13318	0.7
213.05554	0.9
214.06279	0.4
228.04362	0.6
257.15390	0.9
263.75800	0.3
275.17703	0.3
281.15369	1.2
299.13251	0.5
299.16501	7.3
299.19852	0.4
300.16705	0.4
307.13199	0.3
308.09100	0.3
309.14963	0.7
317.17499	0.8
325.14423	6.5
326.14590	0.4
327.15961	12.0
328.16293	0.9
343.15454	19.5
344.15823	1.1
345.17023	2.9
351.07230	0.8
352.07864	0.3
353.09396	0.4
353.13895	4.3
354.14105	0.3
371.14948	90.4
372.15259	6.4
389.15924	0.8
402.57516	0.3
459.29535	0.6
563.21246	6.4
564.21484	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.2131
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	0.4
57.03434	0.6
58.44104	0.3
59.01376	15.8
60.45362	0.3
60.99289	0.4
62.81669	0.2
67.01883	0.8
69.03444	0.7
71.01377	6.5
71.07492	0.3
71.07819	0.6
72.99298	0.5
73.02937	1.2
79.95737	0.7
81.03447	0.5
83.01400	0.8
83.05002	0.7
85.02944	15.3
87.00867	3.0
88.98743	0.3
89.02432	1.9
93.03453	8.7
95.01402	0.7
96.96009	0.5
99.00874	0.9
99.04492	0.4
101.02443	2.9
109.02920	1.4
111.00876	0.5
111.04518	2.4
113.02436	3.2
119.03522	0.6
121.10252	0.5
121.39800	0.3
123.04503	0.5
125.02481	0.3
127.03999	3.1
129.01952	0.4
129.39185	0.3
135.04503	0.6
135.39777	0.3
137.02443	0.5
143.03482	0.5
143.05060	0.6
145.02847	0.3
151.16197	0.2
153.07068	0.6
155.03496	0.5
158.03732	1.0
159.01028	0.2
159.65866	0.3
161.02405	1.1
161.04564	1.1
171.03046	0.6
171.04449	0.5
172.05283	3.9
173.02367	0.4
173.04546	6.0
174.03198	2.7
179.03442	0.4
180.05814	0.5
185.06076	0.3
191.05595	100.0
191.85765	0.3
192.05966	2.4
197.06027	0.6
198.06825	0.9
199.04047	0.4
200.04756	0.4
201.14903	1.2
206.51218	0.3
224.04749	0.3
228.04323	0.6
231.02835	0.4
232.03522	0.3
233.06580	1.2
237.16394	0.5
253.09203	0.3
253.15964	0.6
265.15939	0.4
281.15442	3.6
283.13358	2.2
283.16940	1.4
299.16220	0.4
301.14410	1.0
309.14926	15.0
310.15240	1.0
311.13031	0.4
327.12134	0.6
327.15976	11.4
327.21814	0.8
328.16318	0.9
329.13934	7.5
330.14297	0.5
335.12747	0.4
341.06500	0.7
341.27042	0.4
343.15588	1.0
345.16901	1.8
353.09570	0.4
353.13907	6.1
354.14328	0.4
359.27954	0.8
363.20160	0.4
371.14954	46.8
372.15262	3.5
407.08078	0.4
503.13696	1.3
503.32248	16.7
504.32855	0.7
521.33350	3.8
545.20349	6.2
546.20642	0.5
563.13928	0.5
563.21411	2.0
563.34424	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.2128
Annotation	Unknow
Peak:m/z	Relative Intensity
50.96312	0.5
57.03432	1.0
58.00573	0.4
59.01372	18.5
61.98821	1.1
67.01862	1.2
69.03438	0.6
70.95093	1.0
71.01373	6.9
73.02932	2.0
81.03457	0.6
83.04988	0.5
85.02943	15.1
87.00870	3.9
88.37658	0.4
89.02444	3.1
93.03452	9.1
95.01369	1.0
96.96011	2.4
99.00858	1.1
99.04506	0.9
101.02449	3.8
109.02962	2.5
111.00863	0.8
111.04501	2.6
113.02456	3.1
119.03503	0.8
121.02975	0.9
122.59631	0.4
123.04462	0.9
125.02445	0.5
127.03989	2.6
133.02983	0.6
135.04480	0.9
137.02460	1.0
137.94499	0.4
141.34323	0.4
143.03514	0.8
149.04553	1.5
151.03908	0.5
155.03456	0.7
158.03700	0.5
159.04552	0.5
161.02342	1.3
161.04546	1.2
165.05516	0.6
171.02893	0.6
171.10231	0.6
171.13997	0.5
172.05293	0.8
173.04530	9.3
173.05978	0.8
174.03174	1.3
175.03920	0.6
176.04715	0.5
179.03445	0.8
187.03984	0.6
191.05586	100.0
192.05888	2.8
196.05312	0.7
197.06026	3.1
201.15013	0.7
209.30147	0.4
211.07634	1.3
233.06685	0.5
241.05046	1.6
251.07303	0.5
253.12129	0.5
265.15924	0.7
281.04517	0.5
281.15375	0.7
283.16953	1.2
289.07053	0.5
299.16464	0.5
309.14917	25.7
310.15356	1.4
311.12891	0.7
327.12341	0.4
327.15976	8.3
327.21783	1.5
328.16342	0.4
329.13977	1.6
343.15329	0.5
345.17007	2.5
352.09128	0.5
353.13879	39.3
354.14407	2.3
359.14999	1.8
359.28122	1.0
371.14941	56.0
372.15231	4.0
389.16104	0.8
485.12723	0.5
499.83295	0.5
502.30994	0.8
503.12888	2.7
503.19305	2.8
503.32141	15.8
504.32816	0.8
521.20508	1.1
521.33136	4.0
545.20245	11.8
546.20514	1.3
563.15088	1.8
563.22272	2.5
563.33392	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.0786
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03753	1.0
59.01374	11.2
60.99292	2.6
61.98813	4.9
71.01377	28.7
71.63595	1.0
72.99302	15.6
75.00864	1.9
80.56700	1.1
80.79700	1.1
85.02924	2.3
87.00849	3.3
88.05176	1.1
89.02450	15.6
96.96975	1.1
101.02460	1.6
102.05584	1.3
102.18781	1.0
103.03998	1.8
115.00367	78.7
117.01947	8.4
133.01419	18.1
135.04477	1.0
145.01379	3.9
145.06097	1.8
146.04579	3.0
147.02986	100.0
148.03342	1.6
161.00879	1.6
173.04492	1.5
179.05626	2.2
191.05612	14.3
192.05894	2.6
193.06006	1.1
220.96257	27.8
221.03130	5.6
221.06607	4.3
221.08537	1.1
245.88745	1.2
289.75360	1.3
358.45953	1.2
478.84857	1.1
503.16467	5.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.1765
Annotation	Dracunculifoside H
Peak:m/z	Relative Intensity
50.04829	0.2
57.03445	0.5
59.01376	3.2
69.26999	2.6
71.01378	4.7
73.02946	2.0
83.01396	0.6
85.02946	2.0
87.00900	0.4
89.02429	1.4
89.03983	0.6
91.05544	0.7
93.03479	1.2
95.01382	0.4
96.96014	1.6
98.95592	0.3
99.00892	0.8
101.02438	3.1
105.03458	0.5
107.05029	2.8
109.02987	0.4
111.04565	0.3
113.02445	1.5
115.04031	0.5
117.03455	1.7
123.04542	0.4
125.02467	0.3
132.02182	0.9
133.02951	18.2
134.03758	7.4
135.04520	100.0
136.04839	3.0
161.02437	53.1
161.04602	1.3
162.02742	1.7
168.33305	0.3
168.68182	0.3
173.04561	1.0
177.62448	0.2
179.03487	63.1
180.03839	1.8
189.02019	0.6
191.05626	6.3
217.01379	0.8
231.06926	1.0
231.57092	0.5
239.06685	1.0
255.02890	0.4
269.10144	0.6
283.13190	0.4
301.14081	0.3
304.52820	0.3
327.16028	0.6
341.06406	0.7
345.17194	0.4
371.14999	1.5
389.16202	0.3
399.18045	0.3
407.07748	0.5
466.08942	0.3
503.31540	0.3
563.17377	62.0
564.10364	0.4
564.18011	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	563.213
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45016	0.5
57.03416	0.7
59.01384	4.1
60.99287	1.2
61.98820	1.0
67.01878	2.9
71.01364	2.3
77.46581	0.6
79.56326	0.6
81.03487	0.7
84.69215	0.6
84.85355	0.6
85.02950	8.7
86.54916	0.5
87.00880	4.7
87.01331	1.0
90.00414	0.7
93.03455	17.1
94.03768	0.7
96.96037	0.7
98.20670	1.1
107.05002	0.7
108.02158	2.5
109.02966	5.0
111.04520	2.4
119.20997	0.6
121.02927	2.6
122.03723	1.1
123.04514	1.4
124.00996	0.6
124.01691	7.1
125.02464	3.3
126.03206	1.5
127.04004	2.8
132.02168	1.0
133.02939	4.0
134.03734	7.9
135.04521	90.1
136.05081	2.3
137.02454	4.4
139.03960	1.0
149.06023	0.7
150.03255	4.7
151.03993	11.2
155.03505	0.7
160.01654	3.2
161.02409	3.1
162.03210	0.7
163.04088	1.0
163.09229	0.6
171.03024	1.2
172.05345	0.9
173.04538	18.4
174.03149	1.0
177.01895	0.9
178.02701	4.0
179.03493	20.1
180.04201	2.1
189.05528	0.8
190.52402	0.6
191.05602	100.0
192.05939	1.9
197.06163	0.7
200.04929	0.9
202.06313	0.6
227.03540	1.9
228.04268	1.7
233.08211	0.8
255.02997	2.7
256.03653	1.5
283.02570	2.9
283.13434	1.7
290.07959	1.4
297.15393	0.9
299.05566	1.2
299.16525	1.1
301.14688	0.7
306.07407	1.0
307.08124	4.1
308.08981	14.5
309.15103	2.7
323.07581	0.9
325.14584	1.6
327.15942	9.4
343.15564	3.0
345.17133	3.5
351.07245	3.3
352.08005	17.0
353.09805	0.9
353.13937	6.3
354.45898	0.8
371.14972	51.9
372.15463	3.4
389.16168	1.4
407.07837	0.7
423.12695	0.6
447.07373	3.9
545.20795	1.2
549.41455	0.6
563.21741	22.1
564.21936	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	561.3276
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	1.8
57.03446	3.0
58.00593	1.2
59.01377	100.0
60.01706	0.7
61.06653	0.2
61.98836	2.2
69.03442	0.9
70.29442	0.4
70.29839	0.6
71.01380	33.1
71.05018	0.4
71.52673	0.2
72.99307	1.8
73.02944	6.3
75.00883	0.7
81.03466	0.5
83.01385	3.8
83.18402	0.2
84.02168	0.5
85.02950	16.5
85.63330	0.2
86.00115	0.6
86.03355	0.2
87.00864	2.5
87.04534	0.8
88.21784	0.3
89.02442	15.8
93.03468	1.3
93.07111	0.3
95.01385	4.1
96.96021	0.9
97.02951	1.0
97.06619	0.6
99.00877	2.9
99.04553	0.3
99.08153	0.5
101.02441	18.1
109.02944	0.6
111.00883	1.2
112.01665	0.6
113.02448	19.9
113.09727	0.6
114.02767	0.3
115.04049	0.3
119.03504	5.9
121.10172	0.3
123.04504	0.3
124.01648	0.8
125.02428	2.7
127.04051	0.3
129.01944	0.5
131.03487	0.6
133.02960	0.8
135.04541	0.5
137.02467	0.6
139.11278	0.9
141.09232	0.3
141.12804	0.3
143.03503	2.4
149.04594	0.6
151.00377	0.5
151.11299	0.9
151.64070	0.2
155.10764	0.5
157.12320	1.5
159.02956	0.9
160.01654	0.3
161.02505	1.3
161.04527	5.1
163.11314	0.5
165.01839	0.3
169.12357	0.7
171.10179	0.3
171.13933	0.5
173.04555	1.3
173.11806	0.5
175.04066	0.6
177.02049	0.3
178.99928	0.3
179.03609	0.2
179.05586	1.7
181.12347	0.6
183.13908	0.3
186.12596	0.4
187.13402	0.8
191.03702	0.4
191.05585	6.6
199.13419	0.9
201.14951	0.9
227.16403	0.3
228.13589	0.4
229.18027	0.4
258.01654	0.6
259.02286	0.6
271.02536	0.3
273.04102	0.4
289.49103	0.2
297.24271	0.4
301.03519	1.8
302.03952	0.8
309.24432	0.6
321.24292	1.2
325.14444	0.8
327.25977	0.3
330.16684	0.5
331.04559	1.0
335.17148	0.3
339.25311	3.3
341.13669	0.3
344.18518	0.5
348.17993	1.0
351.12436	0.5
357.26468	5.8
358.26758	0.6
362.19537	1.3
369.13486	2.4
370.13913	0.4
380.16595	0.4
381.26517	0.5
429.25031	0.8
445.25229	0.3
447.27408	0.3
453.28735	0.9
465.28574	1.8
471.29758	0.8
483.29492	4.2
483.35925	0.4
484.29691	0.6
501.30664	98.6
502.31033	8.2
519.31702	29.8
520.32098	2.5
535.67938	0.3
543.31433	1.7
561.18378	0.4
561.25671	0.5
561.32928	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.3277
Annotation	Unknow
Peak:m/z	Relative Intensity
51.31541	0.2
52.47071	0.2
53.38575	0.2
55.01865	1.1
57.03444	2.7
58.00592	1.4
59.01377	100.0
60.01713	0.9
61.98824	3.5
62.48344	0.2
66.45872	0.2
67.01884	0.5
68.99816	0.2
69.03461	0.9
69.93232	0.2
71.01379	32.1
71.05041	0.6
71.27422	0.3
71.62312	0.2
71.62744	0.2
72.01740	0.2
72.99302	1.9
73.02949	7.2
75.00855	0.4
76.49586	0.2
81.03450	0.4
83.01387	3.9
83.05061	0.2
84.02171	0.4
85.02949	16.4
86.00095	0.6
87.00877	2.6
87.04507	0.7
88.98818	0.4
89.02439	16.7
89.29754	0.2
93.03448	1.1
93.07131	0.3
95.01385	3.8
96.96011	1.7
97.02953	1.3
97.06612	0.7
99.00870	3.3
101.02440	17.8
101.06084	0.2
104.61835	0.2
109.02952	0.6
109.06703	0.2
111.00857	1.2
112.01647	0.5
113.02442	19.1
113.09757	0.4
114.02770	0.3
115.03989	0.3
119.03491	5.9
119.04845	0.2
121.10238	0.4
123.00977	0.2
123.08174	0.3
124.01647	0.6
125.02441	3.0
126.64094	0.2
127.04015	0.2
127.11300	0.3
129.01933	0.6
130.08766	0.3
131.03493	0.9
133.02939	0.8
134.03796	0.2
135.04506	0.5
137.02461	0.8
137.09761	0.2
139.11288	0.9
141.01947	0.4
143.03493	2.5
149.02409	0.3
149.04543	1.0
151.00351	0.4
151.03940	0.3
151.11259	0.7
153.09142	0.2
155.10725	0.3
157.12308	1.9
159.03006	1.2
159.04185	0.2
160.01686	0.4
161.02513	1.7
161.04529	5.1
163.04034	0.3
163.11261	0.5
169.12288	0.6
171.10297	0.4
171.13875	0.4
172.05232	0.3
173.04567	1.6
174.03247	0.3
175.04022	0.4
176.01149	0.3
177.01886	0.3
178.99832	0.3
179.03482	0.5
179.05573	1.5
181.12379	0.6
181.61136	0.2
183.13989	0.2
184.07401	0.2
186.12543	0.6
187.13446	1.2
187.14853	0.2
189.01955	0.5
191.03758	0.4
191.05602	6.9
192.05940	0.2
193.05043	0.3
199.13354	0.9
201.14915	0.7
228.13576	0.3
235.06093	0.2
240.04128	0.3
258.01718	0.3
259.02100	0.4
272.03122	0.3
289.07184	0.5
297.24249	0.5
301.03452	1.2
302.04004	0.6
303.23230	0.6
309.24255	0.5
321.24280	1.0
325.14429	0.8
330.16849	0.5
331.04636	0.5
339.25403	3.1
341.13879	0.3
343.15494	0.4
344.18414	0.6
348.17944	0.7
351.12335	0.6
355.24911	0.4
357.22083	0.4
357.26480	5.9
358.26883	0.5
362.19409	1.2
369.13354	2.0
380.16901	0.5
381.26266	0.6
389.21582	0.3
429.24881	0.8
441.28775	0.3
447.27408	0.4
453.28766	1.2
465.28549	1.7
471.29459	0.8
483.29541	4.0
484.29327	0.3
501.30655	97.7
502.31046	8.8
517.29785	0.7
519.31696	29.7
520.32043	2.7
543.31659	1.9
561.23676	1.4
561.32629	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.2369
Annotation	(+)-N-Methylapateline
Peak:m/z	Relative Intensity
59.01100	0.4
59.01376	5.8
61.98820	0.5
69.84959	0.4
69.85368	0.8
71.01380	2.5
73.02925	0.2
73.33985	0.2
75.27865	0.2
79.95315	0.3
79.95733	2.7
80.96498	0.4
85.02935	0.9
89.02431	2.2
91.94459	0.2
93.03437	0.2
95.95219	1.9
96.96004	4.7
101.02413	1.8
105.16067	0.2
113.02437	0.9
119.03495	0.2
121.43997	0.2
135.04453	0.4
138.97049	0.4
191.05559	0.4
239.06706	1.8
239.56787	1.1
240.06567	0.5
381.17502	0.4
397.42581	0.2
399.18417	3.4
400.18652	0.4
441.19473	0.5
561.23663	100.0
562.24048	8.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.291
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	2.2
57.03432	6.6
58.00599	1.5
59.01371	45.5
59.30565	1.5
61.37325	1.5
61.98828	13.4
66.49041	1.6
67.01898	2.5
69.03448	4.5
71.01384	27.7
72.99293	6.4
73.02918	4.6
81.03445	5.9
83.01373	9.2
83.05001	4.7
84.02159	1.6
85.02947	10.2
87.00864	6.6
89.02437	19.4
93.03435	6.5
95.01405	3.1
95.05003	4.9
96.95997	6.8
97.02933	5.7
97.06562	11.5
99.00810	2.3
101.02427	21.5
107.04991	1.6
109.02956	3.3
109.06540	1.8
113.02428	12.0
113.06088	1.8
119.03460	5.6
119.08591	2.3
121.06519	2.6
123.04472	4.8
123.08130	4.1
125.02437	3.4
125.09708	23.7
135.04488	2.8
135.08121	4.7
137.02408	1.9
137.06053	2.2
137.09738	7.9
141.12831	2.4
149.05986	3.7
161.04588	8.9
163.11278	14.0
165.12808	5.4
167.10812	9.3
171.10239	9.9
173.04500	3.0
175.03714	1.5
177.12811	2.4
179.05638	3.4
179.10802	3.1
181.12321	5.9
181.91196	1.6
184.08852	1.5
185.11812	25.4
189.12814	1.8
191.05600	22.5
191.10779	3.0
191.14415	16.7
192.05949	1.9
207.10197	7.8
209.11813	55.5
211.13391	4.6
225.11304	6.2
227.12886	10.0
237.11243	6.3
245.19070	41.4
246.19305	2.5
253.09250	33.9
263.20120	5.9
271.16922	3.5
289.18060	100.0
290.18411	4.4
295.02417	7.0
307.19104	61.9
308.19174	2.2
325.20261	1.7
378.19534	2.1
561.28027	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	561.2913
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	2.1
55.06174	1.3
57.03448	6.8
58.70135	1.2
59.01374	41.0
61.98820	18.6
65.79166	1.2
66.65859	1.4
67.01870	1.5
69.03449	5.0
69.24278	14.1
71.01377	29.3
71.05011	1.3
72.99295	3.0
73.02936	5.1
80.02672	1.8
81.03452	3.7
83.01374	11.0
83.05019	5.6
85.02945	8.3
87.00856	5.7
89.02441	19.6
91.04083	1.3
92.21075	1.5
93.03461	6.3
95.01386	3.7
95.05005	4.3
96.96006	5.9
97.02953	7.3
97.06585	15.4
98.25610	1.5
99.00883	3.8
101.02432	26.8
109.02953	1.9
109.06552	1.5
111.04504	3.4
113.02432	14.0
119.03507	5.5
119.08713	2.5
121.06599	2.5
123.04507	6.5
123.08150	3.7
125.02423	1.9
125.09713	23.2
133.02998	2.0
134.20676	1.3
135.04472	2.2
135.08234	2.0
137.02422	2.4
137.06129	2.3
137.09711	8.4
139.34796	1.5
141.12801	2.5
142.02626	1.4
143.03471	2.3
149.06079	2.1
149.09758	1.8
151.11270	3.0
161.04549	10.7
163.11282	15.7
165.09244	1.8
165.12827	4.7
167.10762	9.8
171.10242	11.8
173.04518	5.0
177.17599	1.3
179.05643	3.1
179.10829	2.8
181.12309	4.4
183.13881	1.6
185.11810	25.7
190.49689	1.2
191.05571	23.3
191.10771	3.9
191.14389	18.6
192.05940	1.8
197.11784	1.8
201.11087	1.4
207.10175	7.6
209.11804	54.6
210.12129	2.2
211.13437	4.9
225.11197	7.3
226.12033	2.0
227.12875	10.5
235.08302	1.8
237.11276	8.3
245.19077	42.6
253.09254	36.7
253.11835	2.7
261.18515	1.6
263.20123	6.1
271.17026	4.3
279.19540	1.5
281.21106	3.2
289.18054	100.0
290.18384	6.6
295.02368	5.3
307.19116	61.1
308.19473	4.2
325.20145	2.5
543.12787	1.6
561.13660	4.5
561.29114	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	560.2709
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	3.4
59.01677	0.2
61.98827	100.0
69.91582	0.4
71.01391	0.9
73.02962	0.3
74.36913	0.1
83.01394	0.2
85.02941	0.6
89.02448	0.4
93.03476	0.2
95.01404	0.2
96.96014	0.3
101.02446	0.4
113.02480	0.4
125.02475	0.1
135.04555	0.3
137.02411	0.1
151.17085	0.1
161.02493	0.2
161.04558	0.1
173.04521	0.3
179.03459	0.1
191.05609	1.3
258.01758	0.1
259.02725	0.1
271.02570	0.2
301.03705	0.4
331.04626	0.3
335.22260	0.3
336.22504	0.8
337.23016	0.4
338.23309	0.6
346.87289	0.1
357.26596	0.2
363.14322	0.1
369.13562	0.4
501.30661	3.4
519.31537	1.2
561.24207	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	561.1973
Annotation	Unknow
Peak:m/z	Relative Intensity
51.26020	0.4
54.25171	0.3
57.03445	0.8
59.01375	15.4
60.99305	0.3
61.98825	9.5
67.01872	0.8
69.03455	0.6
70.94884	0.7
70.95194	0.3
71.01380	6.6
71.05002	0.5
72.99315	0.5
73.02939	3.3
73.80623	0.3
75.00864	0.3
81.03458	0.7
83.01371	1.1
83.05029	0.7
85.02942	14.5
87.00871	3.7
89.02442	2.7
93.03448	7.0
95.01392	0.7
96.96008	2.5
97.02939	0.6
97.06586	0.5
99.00864	0.8
99.04522	0.7
101.02441	5.0
109.02952	1.9
109.06582	0.9
111.04507	2.3
111.05167	0.3
113.02435	3.0
117.13775	0.3
119.03485	0.8
119.04994	0.4
121.02944	0.3
123.04511	0.8
124.01632	0.3
125.02436	1.8
125.09715	0.3
127.03995	3.0
133.02953	0.6
134.03751	0.6
135.04521	1.0
137.02455	0.8
137.76691	0.3
139.55945	0.3
143.03488	0.6
146.03699	0.3
149.04478	0.5
149.06163	0.3
150.89420	0.3
151.00348	0.9
151.03981	0.4
153.01889	0.7
153.09196	0.5
155.03479	0.5
159.04453	0.5
160.01675	1.1
161.02425	1.3
161.04558	1.1
163.03995	0.8
163.11311	0.5
171.03014	1.0
171.10310	2.4
173.04533	3.0
174.06929	0.4
175.03981	1.2
177.01913	1.2
178.99873	1.1
179.03499	0.7
179.05620	0.3
185.06149	0.3
187.03973	0.4
189.01907	1.9
190.02594	0.4
191.05594	100.0
192.05949	2.3
197.11821	2.1
198.03206	0.9
200.04742	0.8
200.08142	0.4
202.06328	0.4
203.03421	0.3
209.11713	1.4
211.03915	0.7
211.13359	1.0
212.04723	3.9
215.03452	2.6
217.01407	1.4
225.05525	2.1
226.02802	1.7
226.06287	1.3
228.04353	0.7
229.01360	0.5
231.02980	0.5
235.13295	0.4
239.06932	0.5
239.91187	0.3
240.04243	3.3
243.02907	0.9
253.09288	3.1
258.01608	0.6
272.03134	0.5
281.15347	0.4
284.02921	0.3
289.06973	0.4
289.18219	0.5
301.03375	1.5
307.13293	0.5
307.19159	2.0
323.12775	1.8
325.14334	1.1
325.20145	6.9
326.20609	0.3
331.04510	0.9
337.09216	0.5
339.12320	1.0
341.07193	1.8
341.13867	7.5
342.14185	0.6
343.15613	1.8
351.12283	0.9
357.26657	0.4
362.19089	0.4
369.13379	49.6
370.13574	3.1
387.14462	0.5
397.11261	0.5
399.17001	0.5
436.07541	0.3
451.10403	1.2
465.96497	0.3
501.30637	6.0
519.31927	1.7
543.28241	0.6
544.21570	0.3
561.14227	0.5
561.20190	1.0
561.29047	0.7
562.22290	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.2029
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	0.3
59.01360	1.2
62.28419	0.2
65.01370	0.3
67.01872	0.4
68.99825	0.3
69.54692	0.7
69.55124	1.2
71.01366	0.9
73.02952	0.4
73.66264	0.2
78.95931	0.4
81.03443	0.4
83.05013	0.5
85.02947	8.5
87.00864	2.3
88.25066	0.2
93.03444	3.3
96.95993	0.4
96.96934	0.3
101.67844	0.3
109.02944	0.9
111.04509	1.1
127.04024	2.2
133.02930	0.3
135.04463	0.3
171.02989	0.8
173.04485	1.3
191.05595	100.0
192.05942	1.9
525.19617	0.3
561.04102	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.206
Annotation	Unknow
Peak:m/z	Relative Intensity
53.08486	0.3
59.01376	1.9
63.96230	1.3
69.03451	0.5
69.76373	1.6
69.76782	0.8
71.01376	6.1
73.02934	1.1
78.98577	4.6
79.95732	6.7
80.96513	51.9
81.03426	0.7
83.01355	0.4
84.56943	0.3
85.02945	2.3
87.00877	2.6
88.98797	0.4
89.02428	0.5
94.98076	12.0
96.95977	2.3
97.02956	1.4
98.19917	0.4
99.00870	0.7
99.04431	0.4
101.02461	2.5
104.41913	0.4
106.98065	2.3
109.02954	0.5
113.02422	0.7
122.97565	2.6
123.74049	0.4
125.02449	2.8
127.03981	0.8
134.97568	3.3
135.04529	0.9
136.99138	1.0
148.99124	4.5
152.98640	4.3
158.76364	0.4
161.02440	0.5
164.98611	10.4
167.00137	0.5
173.04555	1.0
178.99962	0.4
179.03485	0.7
191.05595	3.1
206.99657	2.3
209.11784	1.8
225.00710	16.0
226.01071	0.4
239.06653	0.4
262.12476	0.4
281.47314	0.4
285.88486	0.4
299.04303	2.5
301.03531	0.4
367.09106	0.6
487.09009	0.4
527.17920	4.1
533.88690	0.4
559.20605	100.0
560.20923	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	559.2935
Annotation	13beta,29-Dihydroxymilbemycin A3
Peak:m/z	Relative Intensity
51.90240	0.3
55.84697	0.3
57.03440	0.5
58.00594	0.4
58.79231	0.4
59.01377	11.3
61.98825	2.3
69.69778	0.3
71.01385	3.8
71.23738	0.3
71.62254	0.6
71.62611	0.3
73.02932	0.9
79.95734	6.9
80.96523	1.0
82.95401	0.4
83.01395	0.7
83.05033	0.4
85.02960	2.2
85.06571	0.5
87.00888	0.8
89.02454	2.8
93.03456	4.2
95.01425	0.5
95.95224	4.2
96.96007	60.4
101.02426	2.4
102.05587	1.6
109.02967	0.5
110.97501	0.4
111.04513	0.6
113.02435	1.7
119.03523	1.0
125.02429	0.5
128.03540	2.9
133.02959	1.0
134.03741	0.4
135.04524	2.4
137.02440	11.8
138.02750	0.7
138.97043	0.5
146.04625	0.5
148.01611	0.5
149.02371	0.9
151.03929	0.4
155.03551	0.5
155.08363	0.4
161.02448	2.6
161.04608	0.7
165.05475	0.6
166.67171	0.3
173.04549	3.6
176.01141	3.0
179.03474	2.1
179.05598	0.4
190.02675	0.7
191.03494	4.8
191.05603	5.9
193.04993	0.8
205.05054	0.6
209.04836	0.6
221.19174	0.5
223.06171	1.0
231.06955	1.0
231.56982	0.4
239.06715	9.5
239.56807	1.8
240.06758	0.8
272.03049	0.5
283.19189	0.6
335.07883	0.5
337.19916	0.5
353.08749	0.6
365.17938	0.4
381.05954	0.5
381.17319	0.4
397.11768	0.6
397.16528	1.8
399.18396	0.9
413.10815	0.5
499.29199	1.4
515.31952	0.6
521.16327	2.4
537.95349	0.4
559.22009	54.8
559.29614	100.0
560.22308	4.9
560.29901	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	559.2065
Annotation	Unknow
Peak:m/z	Relative Intensity
53.05804	0.3
59.01382	3.1
61.98823	1.7
63.96228	0.8
69.03458	0.8
71.01381	6.6
71.62207	0.6
72.99302	0.6
73.02950	1.6
75.00867	0.4
78.95916	0.4
78.98588	4.6
79.95733	8.1
80.96514	49.9
81.03460	1.2
83.01369	0.4
85.02936	3.3
87.00871	3.1
89.02456	0.9
90.75558	0.4
93.03463	1.7
94.98084	11.3
95.01361	0.6
95.83440	0.4
96.96010	3.2
97.02957	1.6
99.00861	0.8
101.02434	2.9
106.98063	2.5
109.02971	1.2
111.04481	0.4
113.02436	1.1
115.04057	0.5
118.66456	0.3
121.02965	0.3
122.97580	4.9
125.02418	3.2
127.04002	1.1
133.02924	0.5
134.97583	3.6
135.04491	2.0
136.99162	1.5
137.02371	0.9
138.14207	0.4
143.03452	0.4
143.96387	0.4
148.99138	4.5
149.06044	0.4
152.98628	5.5
152.99716	0.6
161.01270	0.4
161.02402	2.0
161.04510	0.7
164.98622	8.5
167.00105	0.7
167.03543	0.4
173.04579	2.3
176.35022	0.4
179.03503	1.2
182.99696	1.8
189.01900	0.4
191.05608	6.4
206.99646	3.1
209.11827	3.0
225.00717	18.2
243.01834	1.5
299.04428	2.7
341.16675	0.4
407.07834	0.5
521.25842	0.8
523.21252	0.7
527.17993	2.7
559.20593	100.0
560.13739	0.4
560.21008	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	557.3102
Annotation	13beta-Hydroxymilbemycin A4
Peak:m/z	Relative Intensity
56.79963	1.1
59.01375	19.3
60.99310	1.8
61.45417	1.3
61.98822	5.3
64.31991	1.1
67.01849	1.2
71.01376	6.9
79.57466	1.2
85.02943	3.9
87.00889	1.8
88.98808	8.8
89.02441	4.1
93.03459	5.3
96.96013	12.0
98.95584	2.3
101.02428	4.3
109.02898	1.7
113.02418	2.9
116.92849	2.6
119.03460	1.5
125.54114	1.3
129.01987	1.4
133.06570	1.6
135.04515	1.8
137.02489	1.3
161.02470	2.1
161.04465	1.5
163.04004	1.6
173.04581	6.6
179.03503	2.2
191.05537	8.7
192.08075	1.2
224.06883	3.6
231.06989	2.3
236.05788	1.3
247.09612	1.4
301.03503	2.2
305.21222	3.2
335.22321	4.5
497.27255	2.9
521.26489	1.1
521.33252	31.1
522.33582	2.6
557.30957	100.0
558.31116	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	557.3096
Annotation	Unknow
Peak:m/z	Relative Intensity
51.36583	1.2
59.01373	42.7
61.98820	6.0
69.35506	6.5
69.35913	2.6
71.01382	6.4
73.02931	3.3
82.95403	2.3
85.02946	3.5
88.98806	11.6
89.02438	3.7
92.17747	1.0
92.49694	1.3
93.03450	4.4
96.96001	11.5
98.22690	1.1
98.95615	5.3
101.02424	5.0
102.45396	1.2
106.44773	1.2
109.02958	1.9
113.02427	2.8
116.92829	6.7
119.03523	1.6
121.02939	1.6
135.04530	3.2
137.02415	4.7
161.02399	2.0
163.03947	1.2
173.04535	4.7
173.05910	1.3
173.60582	1.4
179.03514	2.1
184.31769	1.2
191.05577	6.0
293.12378	1.6
295.23062	1.2
301.03506	2.4
335.22260	96.6
336.22662	6.2
370.49237	1.1
381.45068	1.3
441.13931	1.8
497.27283	3.7
521.25818	1.7
521.33209	29.4
522.33398	2.6
557.30920	100.0
558.31390	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	557.3102
Annotation	Unknow
Peak:m/z	Relative Intensity
56.79963	1.1
59.01375	19.3
60.99310	1.8
61.45417	1.3
61.98822	5.3
64.31991	1.1
67.01849	1.2
71.01376	6.9
79.57466	1.2
85.02943	3.9
87.00889	1.8
88.98808	8.8
89.02441	4.1
93.03459	5.3
96.96013	12.0
98.95584	2.3
101.02428	4.3
109.02898	1.7
113.02418	2.9
116.92849	2.6
119.03460	1.5
125.54114	1.3
129.01987	1.4
133.06570	1.6
135.04515	1.8
137.02489	1.3
161.02470	2.1
161.04465	1.5
163.04004	1.6
173.04581	6.6
179.03503	2.2
191.05537	8.7
192.08075	1.2
224.06883	3.6
231.06989	2.3
236.05788	1.3
247.09612	1.4
301.03503	2.2
305.21222	3.2
335.22321	4.5
497.27255	2.9
521.26489	1.1
521.33252	31.1
522.33582	2.6
557.30957	100.0
558.31116	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	557.3203
Annotation	Unknow
Peak:m/z	Relative Intensity
54.76889	0.1
59.01373	1.3
60.01707	0.2
61.01812	0.1
61.98825	100.0
68.54754	0.1
69.46209	0.9
78.91941	0.1
78.95900	1.4
80.65408	0.1
80.96351	0.2
112.03229	0.1
152.99582	0.3
158.74617	0.1
168.04341	0.2
207.61230	0.1
224.06897	0.2
226.07553	0.2
255.23276	2.7
256.23624	2.8
257.23877	1.8
258.24179	1.1
269.27045	0.1
314.35178	0.1
318.85892	0.1
369.53784	0.1
480.30853	1.2
481.31210	0.6
482.31653	1.1
483.31781	3.1
557.32257	0.3
572.73584	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	558.3325
Annotation	Unknow
Peak:m/z	Relative Intensity
55.73362	0.4
61.70415	0.3
66.47459	0.3
70.34394	0.8
71.01375	0.8
78.95898	19.6
79.95734	0.4
80.96511	2.1
81.95315	0.6
82.96102	3.9
82.96935	0.6
93.03429	0.3
94.98087	0.6
96.96964	0.5
96.97644	1.0
100.20525	0.3
113.64004	0.3
152.99593	3.2
168.04288	3.4
219.25398	0.3
224.06911	8.8
224.09123	0.5
227.00378	1.0
232.11067	0.3
242.08041	1.6
267.66199	0.4
274.40738	0.3
283.26398	100.0
284.26770	4.6
334.16141	0.3
508.34033	75.3
509.34338	5.0
531.56860	0.4
531.64850	0.4
558.28687	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	557.2962
Annotation	Unknow
Peak:m/z	Relative Intensity
51.85755	0.6
55.01879	2.0
57.03439	0.8
58.00591	1.5
59.01375	100.0
61.98834	0.7
71.01375	33.7
71.62283	0.9
72.99296	3.7
73.02941	7.9
75.00876	1.8
75.88101	0.7
83.01391	3.9
85.02943	11.7
87.00866	3.8
88.19012	0.6
88.98821	0.8
89.02436	21.5
90.80423	0.7
92.70838	0.7
93.03470	1.3
95.01400	2.8
96.96011	2.7
97.02921	0.9
99.00881	5.1
101.02434	26.3
102.02716	0.7
109.02956	1.4
109.48191	0.7
111.00911	0.9
113.02444	14.1
115.00347	3.5
118.46246	0.6
119.03486	7.2
127.00361	31.2
131.03537	1.4
134.03787	0.9
135.04541	2.0
143.03484	3.8
149.04556	1.3
157.01411	6.4
159.03015	3.0
161.02438	2.5
161.04547	23.0
162.04857	0.7
173.04597	2.3
175.02579	1.8
179.03609	1.2
179.05634	3.6
191.05632	5.0
208.20360	0.7
225.29999	0.7
270.74625	0.7
271.02652	0.8
275.20456	0.8
317.21277	3.5
319.19095	28.6
320.19507	1.6
327.01517	1.3
335.22229	6.4
336.22681	0.9
346.79498	0.8
388.49652	0.6
447.05820	1.4
467.15805	0.8
477.21252	29.9
478.21954	2.6
495.22672	1.7
497.27527	74.5
498.27942	6.3
519.24445	7.9
521.17627	1.2
521.26099	4.2
541.26520	6.6
557.10022	3.0
557.22552	8.1
557.30859	3.7
558.23218	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.2963
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	30.9
60.01719	0.2
61.98827	1.9
68.14279	0.1
71.01384	0.4
73.02934	0.1
79.06839	0.1
88.98801	0.5
89.02432	0.3
91.85495	0.1
96.96011	0.5
101.02442	0.6
109.10931	0.1
113.02491	0.2
119.03485	0.5
161.04520	0.2
191.05577	0.3
221.06560	0.2
334.21063	0.2
335.22235	100.0
336.22571	7.3
336.28687	0.2
349.23804	0.3
377.23233	0.2
497.27545	3.6
498.27182	0.3
556.95264	0.2
557.29639	2.9
558.30164	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	557.3096
Annotation	13beta-Hydroxymilbemycin A4
Peak:m/z	Relative Intensity
51.36583	1.2
59.01373	42.7
61.98820	6.0
69.35506	6.5
69.35913	2.6
71.01382	6.4
73.02931	3.3
82.95403	2.3
85.02946	3.5
88.98806	11.6
89.02438	3.7
92.17747	1.0
92.49694	1.3
93.03450	4.4
96.96001	11.5
98.22690	1.1
98.95615	5.3
101.02424	5.0
102.45396	1.2
106.44773	1.2
109.02958	1.9
113.02427	2.8
116.92829	6.7
119.03523	1.6
121.02939	1.6
135.04530	3.2
137.02415	4.7
161.02399	2.0
163.03947	1.2
173.04535	4.7
173.05910	1.3
173.60582	1.4
179.03514	2.1
184.31769	1.2
191.05577	6.0
293.12378	1.6
295.23062	1.2
301.03506	2.4
335.22260	96.6
336.22662	6.2
370.49237	1.1
381.45068	1.3
441.13931	1.8
497.27283	3.7
521.25818	1.7
521.33209	29.4
522.33398	2.6
557.30920	100.0
558.31390	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	557.2961
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	33.8
60.99323	0.5
61.98818	1.7
69.43270	2.3
71.01388	4.0
71.01704	0.3
73.02964	0.5
74.84024	0.5
79.95776	0.4
80.96523	0.3
82.95444	0.7
83.01437	0.4
85.02940	1.8
87.00893	0.6
88.98811	2.0
89.02436	3.7
89.02906	0.3
93.03471	2.1
95.01440	0.7
96.96011	3.4
99.00928	0.7
101.02437	3.2
107.23880	0.4
109.02950	1.7
111.04493	0.4
113.02429	2.2
119.03515	1.7
123.00903	0.5
123.04561	0.4
125.02470	0.8
133.02946	0.7
133.06612	0.8
134.03748	0.5
135.04532	4.7
137.02501	1.2
143.03578	0.5
151.00403	1.1
151.04073	0.6
153.01944	1.4
159.04538	0.7
161.02478	1.6
161.04526	1.9
173.04543	2.5
179.03494	3.5
179.05629	1.5
189.01678	0.4
191.05620	7.0
193.15733	0.3
197.04727	0.4
203.52287	0.3
215.03529	0.6
227.03622	0.5
238.05826	0.5
258.01678	8.8
258.04251	0.7
259.02444	5.8
271.02502	5.7
272.03247	2.8
273.04025	4.6
283.02557	0.4
285.04025	1.4
301.03531	19.0
302.03937	1.4
304.02301	0.5
312.65948	0.3
313.03473	2.2
331.04565	12.6
332.04846	0.6
335.22253	100.0
336.22592	6.4
341.08759	0.6
343.04538	0.4
395.09909	0.5
403.06503	0.6
421.07562	0.4
497.27505	7.8
498.28036	1.0
521.17505	0.4
521.25610	1.0
539.08258	0.8
557.09241	18.5
557.21826	2.7
557.31134	1.6
558.09473	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.2959
Annotation	Tricalysioside N
Peak:m/z	Relative Intensity
55.01864	1.6
57.03444	2.4
58.00600	1.1
59.01377	100.0
59.98651	0.7
61.14561	0.7
61.98833	2.1
67.88583	0.7
69.45364	2.8
69.45793	2.5
71.01378	31.8
72.99307	2.4
73.02951	7.5
73.43320	0.7
75.00880	0.7
83.01373	5.0
83.19180	0.8
85.02943	13.4
87.00890	2.1
88.98824	1.7
89.02440	19.6
93.03461	2.3
95.01396	2.3
96.96014	3.4
99.00894	2.9
101.02435	26.1
109.02965	1.3
113.02441	15.6
119.03497	6.7
125.02457	1.2
125.29929	0.7
129.01942	0.8
131.03554	1.1
134.03719	1.3
135.04504	2.0
143.03532	2.8
159.03043	3.0
161.02461	3.0
161.04535	23.2
161.05855	1.2
173.04472	3.3
179.05559	3.4
179.86327	0.7
191.05612	6.2
272.93912	0.7
285.73026	0.7
289.07416	0.7
309.48404	0.7
317.21240	2.9
335.22269	6.9
405.73138	0.8
410.24545	0.7
467.15512	1.2
497.27521	75.1
498.27875	6.6
519.24451	8.8
519.31293	1.0
520.24878	1.3
521.17059	1.8
521.25824	5.0
541.26440	7.9
557.09308	1.7
557.22461	11.7
557.29962	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	557.2962
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03426	2.0
59.01379	4.3
60.16650	0.8
61.98820	3.6
69.03452	6.6
71.01360	1.7
71.05013	2.2
71.62286	1.1
74.49750	0.8
74.92810	0.9
80.02641	1.4
81.03442	2.2
83.01373	1.0
83.05029	5.7
93.03477	1.2
95.05013	0.9
96.96001	3.0
97.02924	1.1
97.06579	2.0
119.75385	0.9
123.08178	1.6
125.06058	1.0
125.09711	4.1
137.02428	1.0
137.09712	0.9
150.18480	0.8
151.11279	4.4
153.12726	1.5
161.02493	1.0
161.09724	6.5
163.11308	4.9
165.12761	2.6
173.04640	1.0
179.09297	1.6
179.10753	17.3
181.12335	1.0
191.05588	1.9
197.11818	68.3
198.12134	1.9
209.11812	55.7
210.12112	1.7
223.09770	2.2
226.90224	0.8
227.12788	5.7
241.10852	8.1
297.13437	4.1
315.14511	9.5
321.20911	0.9
389.23221	1.0
507.25946	2.2
525.27014	100.0
526.27252	7.5
557.29718	7.6
558.29486	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.2958
Annotation	Unknow
Peak:m/z	Relative Intensity
55.56573	0.2
57.51017	0.2
59.01377	26.7
61.98826	0.4
70.62965	0.7
71.01393	0.7
73.98286	0.2
79.95760	0.3
85.02982	0.4
88.98820	0.8
89.02438	0.5
93.03461	0.4
96.95997	1.8
101.02445	0.8
109.02941	0.2
111.04516	0.3
113.02446	0.3
115.51833	0.2
119.03486	0.8
133.02969	0.3
135.04517	0.5
137.02444	0.3
161.02437	0.4
173.04588	0.6
179.03459	0.3
182.12117	0.2
191.03989	0.2
191.05592	1.0
200.93785	0.2
202.52301	0.2
231.06892	0.7
239.06607	1.3
239.56917	0.4
240.06621	0.3
287.20020	0.3
289.21716	0.3
301.03491	0.2
335.22241	100.0
336.22552	7.1
349.23862	0.4
365.17801	0.6
366.18423	0.3
399.18134	0.3
416.87140	0.2
497.27570	2.5
498.28131	0.4
557.29962	2.4
558.30298	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.2954
Annotation	Unknow
Peak:m/z	Relative Intensity
51.25687	0.3
58.13106	0.3
59.01375	31.1
60.99311	0.7
61.98829	1.9
62.37656	0.3
69.03409	0.3
69.46303	1.8
71.01367	1.9
73.02932	0.6
85.02941	0.5
87.00845	0.4
88.98807	3.9
89.02425	1.3
90.07641	0.3
93.03452	1.9
96.96018	2.0
99.22675	0.3
101.02435	1.3
109.02995	0.4
111.04509	0.4
113.02449	1.3
119.03497	0.8
125.02483	0.4
133.02942	0.8
134.03708	0.5
135.04538	3.2
136.04736	0.3
137.02423	0.7
137.51587	0.4
145.02939	0.4
149.02484	0.4
161.02449	1.4
161.04521	0.5
172.38849	0.3
173.04546	5.9
179.03476	2.1
179.05614	0.5
191.05588	2.5
221.06570	0.4
233.06662	2.7
301.03473	0.7
331.04684	0.3
335.22241	100.0
336.22568	6.4
395.09738	3.7
455.12338	0.3
497.27426	5.3
498.27701	0.5
519.31268	1.4
521.32678	0.5
557.21692	0.6
557.29590	9.4
558.29895	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.2955
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00589	0.2
59.01374	31.2
60.01702	0.3
60.99311	0.5
61.98820	2.1
66.98946	0.2
70.81055	0.6
71.01385	1.8
72.99309	0.3
73.02935	0.9
73.85122	0.2
79.95737	0.4
82.95393	0.3
83.01405	0.3
83.71101	0.2
85.02961	0.7
87.00872	0.6
88.98798	3.7
89.02449	1.3
93.03461	1.7
96.96004	2.4
99.00854	0.3
101.02436	1.5
109.02958	0.4
111.04505	0.5
113.02436	0.8
119.03496	0.5
121.02953	0.6
125.02446	0.4
133.02956	0.7
134.03709	0.5
135.04529	3.4
136.04817	0.3
137.02431	0.8
143.93947	0.2
161.02425	1.4
161.04495	0.6
173.04517	5.4
175.04010	0.2
179.03487	1.9
191.05545	1.8
192.05865	0.3
193.04935	0.5
233.06645	2.3
301.03534	0.4
335.22235	100.0
336.22586	6.4
377.23108	0.3
386.24805	0.3
395.09750	3.5
413.25760	0.3
455.11780	0.5
497.27466	3.7
498.27585	0.4
519.31787	1.3
521.32623	0.7
557.20978	0.7
557.29340	8.3
558.29968	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.2369
Annotation	Unknow
Peak:m/z	Relative Intensity
51.70533	1.4
53.62112	1.6
59.01376	60.8
61.98815	8.3
71.01374	30.2
72.99303	2.9
73.02940	7.9
83.01367	3.3
85.02944	10.4
87.00857	3.1
88.98814	4.1
89.02432	23.0
92.34793	1.6
93.03466	6.6
95.01353	3.0
96.96004	10.6
98.20699	2.8
98.36825	1.8
99.00861	6.6
101.02427	24.3
109.02927	3.5
113.02443	11.1
117.26052	1.5
119.03498	6.8
125.02393	3.9
131.03462	3.0
133.02930	6.3
134.03732	3.1
135.04503	22.5
145.02942	1.9
149.04530	2.6
151.03979	2.5
161.02437	16.0
161.04471	11.1
173.04568	9.8
179.03499	14.9
179.05579	4.5
191.05609	20.0
197.11897	3.5
211.14256	1.6
227.16393	1.9
241.01021	1.9
327.01489	2.1
335.22330	2.8
357.02237	1.9
389.21515	2.0
449.14935	3.2
467.15616	2.7
497.27698	26.7
519.24280	21.5
520.24634	2.4
521.25934	76.8
522.26349	5.3
530.57208	1.8
541.26666	2.6
557.23804	100.0
558.23291	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.0929
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	2.9
61.98831	2.7
65.00327	0.6
71.01369	2.5
72.99319	0.6
73.02959	0.7
75.00855	0.5
79.95724	0.4
80.96533	0.4
83.01405	0.7
85.02944	0.8
87.00884	0.6
88.98808	1.4
89.02448	1.1
89.22523	0.4
91.01886	1.9
91.54440	0.3
93.03456	1.9
96.96027	2.9
98.19907	0.9
99.00874	0.5
101.02444	0.8
108.02179	0.8
109.02950	37.0
110.03280	0.7
113.02479	0.5
115.00407	1.1
119.03603	0.4
125.02456	0.8
127.00369	9.5
133.02936	0.7
135.04504	1.5
137.02391	1.2
143.38782	0.3
149.02570	0.3
150.03275	0.4
151.00372	0.8
153.01932	37.0
154.02251	0.9
157.01425	1.5
159.04584	0.4
161.02446	1.3
163.03960	0.6
173.04594	2.0
177.01900	0.6
179.03496	0.5
183.04483	1.7
187.04112	0.4
191.05591	3.8
193.91035	0.3
199.04062	0.6
211.04007	1.6
215.03534	0.4
227.03503	4.5
229.05103	0.8
238.02719	0.7
239.03647	0.6
242.02228	0.6
243.03009	1.6
254.02145	0.8
255.02980	4.9
257.04712	0.8
258.01645	2.0
259.02463	5.5
271.02454	6.2
272.03165	2.9
273.03998	7.2
281.04758	0.4
283.02463	100.0
284.02771	4.5
285.04053	3.4
289.07648	0.5
290.07324	0.7
297.03983	0.8
298.01270	0.5
299.01917	0.5
301.03500	22.8
302.03824	1.2
313.03528	2.5
314.04327	2.7
315.04990	0.6
319.19107	7.9
320.19434	0.5
325.03574	1.9
331.04553	11.1
332.04996	0.5
343.04367	0.9
393.06046	1.1
403.06671	32.4
404.06906	1.9
421.07748	29.8
422.08047	2.2
437.05344	2.3
477.10583	5.3
477.21130	8.2
478.10483	0.4
495.22290	0.7
497.27737	0.5
513.10284	0.7
519.24438	1.5
521.25854	2.0
557.09259	38.1
557.21735	3.1
558.09723	3.9
558.21765	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.2944
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03438	1.0
59.01376	14.5
61.98828	12.0
69.03439	1.1
69.26572	2.4
69.26989	7.1
71.01388	6.8
73.02936	2.4
78.95918	2.0
80.96518	1.6
83.05041	1.0
85.02950	3.9
89.02448	5.2
89.03975	0.9
90.07674	1.2
93.03468	2.6
96.96006	7.3
97.02914	1.0
99.00912	1.1
101.02451	6.6
107.29694	0.9
113.02464	3.4
117.03477	5.1
119.03552	1.8
121.02934	1.2
125.09689	1.1
126.67345	0.9
132.02193	3.7
133.02963	1.5
134.03734	74.5
135.04568	4.3
137.02438	2.7
149.04948	1.4
149.06056	8.6
151.03935	2.0
152.99594	2.2
160.01659	12.4
161.02422	3.9
165.02065	0.9
173.04553	3.6
173.05952	1.1
175.03969	13.6
179.03493	2.7
191.05605	7.3
193.05037	100.0
194.05402	3.7
198.23975	0.9
211.13458	1.1
221.15102	1.0
323.07147	1.0
327.16187	1.7
327.21909	1.6
333.20609	10.9
334.21060	1.0
357.26486	1.3
519.31720	24.0
555.21313	5.6
555.29346	54.2
556.21625	1.0
556.29718	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	555.2941
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	3.0
59.01379	28.6
61.98819	15.6
69.49039	12.5
71.01373	12.9
73.02942	6.2
78.95901	3.3
85.02942	6.3
87.00901	2.5
88.98776	2.1
89.02448	6.5
93.03452	3.5
96.96001	13.6
99.00863	2.2
99.04542	2.2
101.02437	9.7
109.02924	2.0
113.02457	5.7
117.03472	2.3
121.02995	1.8
124.92487	1.8
125.02396	2.2
133.02974	3.7
134.03734	53.7
135.01833	1.9
135.04514	8.1
137.02441	4.0
139.55722	1.7
149.06062	5.3
152.99620	4.3
160.01680	9.8
161.02414	10.1
161.04587	2.0
171.10184	3.7
173.04576	5.5
175.04022	7.5
179.03473	7.2
191.05615	14.0
193.05052	72.6
214.89026	1.9
262.72870	2.0
272.03506	2.7
327.16000	2.1
327.21774	2.6
333.20822	10.2
519.19043	3.7
519.31671	42.0
520.32220	2.3
555.21210	9.1
555.29266	100.0
556.29633	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	555.3298
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82312	12.9
60.88708	15.0
61.98832	16.4
65.99820	12.8
69.27830	49.0
69.28252	100.0
80.96535	15.7
94.25170	14.9
98.19929	41.3
114.65697	14.6
141.28938	15.6
173.06958	17.3
237.45709	16.0
237.84853	14.3
283.26428	50.8
555.33295	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	557.0931
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52504	0.4
53.91486	0.4
56.73965	0.4
59.01373	2.4
59.30072	0.4
59.73922	0.4
61.98830	2.4
69.55827	1.6
69.56226	0.9
70.92420	0.4
71.01371	1.2
88.98811	1.1
89.02448	1.3
93.03457	0.8
95.01382	0.4
96.96017	1.0
99.27689	0.5
101.02401	0.8
107.01389	0.6
109.02937	6.0
116.58702	0.5
119.03513	0.7
119.47101	0.4
123.00890	0.5
125.02421	1.7
127.72646	0.5
130.20662	0.5
135.00900	0.5
135.04535	0.6
149.02419	0.9
151.00349	4.1
152.01233	0.5
153.01913	3.4
159.04486	0.5
160.73898	0.5
161.02423	1.5
163.00275	0.7
173.04633	0.5
174.03214	0.5
174.10155	0.4
175.03813	0.5
175.93555	0.4
179.03474	1.1
179.05576	0.7
183.04372	0.6
187.03983	0.7
190.99901	0.4
191.03929	0.4
191.05571	2.1
195.02989	0.5
199.03979	1.1
201.05542	0.7
203.03448	0.6
205.01453	0.5
209.11848	1.0
211.03952	0.6
214.02670	0.6
215.03488	1.7
227.03493	1.3
229.05034	1.8
230.02199	1.4
231.02942	0.5
241.05038	0.6
243.02974	1.8
244.03624	0.8
245.04489	0.6
255.02872	0.7
257.04489	0.8
258.01654	41.5
259.02405	21.0
259.05170	0.9
260.02786	0.6
264.15317	0.6
271.02451	30.8
272.03183	12.5
273.04007	23.8
274.04413	1.2
283.02481	2.2
284.03070	0.5
285.04013	9.2
297.03931	0.6
299.01917	2.2
301.03494	99.5
302.03876	5.4
304.02298	2.6
311.01947	1.3
313.03488	11.0
315.05231	0.8
325.03741	0.5
327.38638	0.5
329.02979	1.2
331.04541	53.9
332.04904	2.4
343.04425	2.7
361.05493	1.2
367.04556	1.6
385.05820	2.2
399.18665	0.5
403.06754	2.6
421.07629	1.4
489.23557	0.5
497.27219	0.9
539.08478	3.5
557.09271	100.0
558.09619	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	555.114
Annotation	Unknow
Peak:m/z	Relative Intensity
51.10529	0.3
57.93192	0.3
59.01377	2.1
61.98823	0.9
70.36634	1.0
71.01360	0.9
73.02922	0.4
93.03431	0.8
95.01406	0.4
96.96028	1.7
100.54938	0.3
101.02418	0.3
101.80087	0.3
107.01339	0.5
108.02213	0.6
109.02955	1.8
113.02488	0.5
123.00845	0.5
125.02499	1.5
133.03000	0.5
134.03700	1.2
135.04510	0.6
137.02452	1.1
151.00371	3.3
151.11142	0.3
159.04427	0.5
161.02493	1.6
163.00304	0.5
170.99545	0.4
171.04428	0.5
173.04576	0.5
174.03232	1.3
179.03506	0.6
187.03882	0.8
191.05609	1.4
193.05063	1.6
199.04028	0.7
200.54633	0.3
201.01924	0.3
201.05508	0.5
202.02852	0.5
203.03473	0.9
211.03963	0.5
213.02057	0.5
214.02765	0.6
215.03459	1.3
227.03436	1.7
229.01306	0.4
229.05026	1.2
230.02147	0.9
231.02795	0.5
242.02179	0.3
243.02924	1.6
245.04388	0.4
255.03021	0.6
257.00955	0.4
257.04587	0.5
258.01660	44.0
259.02402	15.2
260.02731	0.5
269.89044	0.3
271.02454	21.4
272.03210	11.3
273.04010	14.2
273.07059	0.5
274.04514	0.6
283.02536	1.2
285.04016	6.3
286.04309	0.4
298.01242	0.8
299.01968	0.5
301.03506	100.0
302.03900	4.6
304.02206	2.3
311.02002	0.9
313.03467	9.2
314.03903	0.6
329.02841	0.7
331.04556	55.6
332.04831	2.5
333.20685	1.2
343.04462	0.6
345.06219	0.4
361.05508	1.1
385.05701	1.8
403.06631	2.3
455.65921	0.4
555.11383	29.6
555.26672	1.0
555.28394	1.0
556.11566	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	555.2077
Annotation	Unknow
Peak:m/z	Relative Intensity
52.19153	0.3
57.03430	0.5
59.01375	10.1
61.98814	2.0
71.01377	4.8
72.99312	0.5
73.02947	1.7
73.20975	0.3
75.00892	0.3
78.95898	0.4
79.12788	0.3
83.01362	0.4
85.02962	1.7
87.00899	0.3
89.02435	4.7
89.03959	1.0
93.03453	1.1
95.05067	0.4
96.96001	1.7
99.00877	1.3
99.04520	0.4
101.02433	3.5
109.02966	0.9
113.02434	2.6
117.03461	4.5
119.03481	1.4
120.67098	0.3
121.02966	0.4
123.04532	0.5
123.50600	0.3
125.02441	0.8
131.03502	0.4
132.02168	2.6
133.02977	0.9
134.03731	75.9
135.04591	3.4
137.02437	1.0
140.91966	0.3
147.04517	0.3
149.06071	8.0
160.01648	11.4
161.02428	3.6
161.04527	0.7
163.03972	0.3
165.01993	0.3
173.04532	1.2
173.25247	0.3
175.03989	10.8
175.05496	0.6
176.04349	0.6
179.03471	2.7
179.05437	0.7
191.05588	2.2
193.05032	100.0
194.05356	2.9
203.07214	0.3
205.04948	0.3
289.07065	1.8
293.32629	0.3
303.19754	0.4
333.20673	0.6
458.14575	0.6
519.18152	0.4
519.31799	0.9
555.20715	8.6
555.28156	4.5
556.20544	0.7
556.28802	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.2652
Annotation	Unknow
Peak:m/z	Relative Intensity
51.48944	0.8
57.03429	1.0
59.01375	13.2
59.94616	0.9
60.49199	1.0
61.98838	4.4
67.99732	0.8
69.33351	6.8
69.33757	1.5
71.01376	7.3
72.99300	1.4
73.02953	2.3
79.95731	2.2
81.03460	1.1
83.01374	1.2
83.05010	4.5
84.02154	1.1
85.02939	2.2
87.00863	1.2
88.98745	1.2
89.02435	5.6
93.03456	2.7
96.96011	10.1
99.00864	1.6
101.02441	5.3
109.02943	1.7
110.55549	0.9
111.00870	1.1
113.02439	3.2
119.03530	1.1
123.04532	2.4
125.02452	1.9
134.03732	1.4
135.04556	4.5
137.02434	2.2
149.02457	1.2
150.03223	2.1
151.03975	1.7
161.02469	5.3
161.04628	1.2
163.11261	2.1
165.01901	1.3
165.05521	2.7
165.12802	1.3
173.04530	4.0
173.05910	0.9
174.54678	0.8
175.03845	1.0
177.01936	1.0
179.03442	2.6
181.91261	1.0
191.05602	11.7
195.06514	1.0
209.11810	100.0
210.12125	3.5
227.12856	16.3
237.09956	0.9
239.06638	2.7
247.05853	0.9
253.09247	16.1
271.02585	1.0
289.07285	1.2
333.20660	1.9
353.08890	1.6
445.20691	2.2
495.31519	1.2
501.15530	1.4
507.20309	2.6
511.18161	1.1
545.83917	1.2
555.20709	5.5
555.33557	2.1
556.20355	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	554.3457
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	23.3
60.01709	0.3
61.69642	0.2
61.98831	0.2
69.35724	1.7
78.95901	19.2
79.85587	0.2
80.03173	0.2
80.96526	0.6
94.98106	0.3
95.43871	0.2
96.55631	0.2
98.19849	0.4
115.95854	0.2
122.98507	0.2
141.24469	0.2
152.99593	2.3
168.04285	3.2
224.06908	7.3
242.07968	1.9
255.23270	100.0
256.23618	5.4
276.16779	0.2
480.30905	70.4
481.31235	5.4
495.27426	0.3
554.26752	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	554.3458
Annotation	Unknow
Peak:m/z	Relative Intensity
56.54074	0.3
59.01376	14.8
61.98824	2.3
71.01365	0.8
78.31125	0.3
78.95899	5.2
79.95721	1.0
80.96515	5.3
81.53285	0.3
82.96067	0.5
87.00896	0.4
87.74026	0.3
94.98087	1.0
96.95995	0.7
106.98067	0.3
125.02483	0.4
134.97549	0.6
148.99191	0.3
149.65408	0.3
152.99577	1.1
164.98587	0.9
168.04289	1.0
169.17273	0.3
187.84070	0.3
206.99585	0.3
218.08870	0.3
224.06827	0.6
225.00645	0.5
226.01068	0.5
242.07993	2.1
255.23262	100.0
256.23636	4.6
267.41882	0.3
273.29825	0.3
279.23279	0.6
480.30905	35.1
481.31329	2.1
504.31012	0.5
554.26373	7.7
555.26703	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.3013
Annotation	Unknow
Peak:m/z	Relative Intensity
53.11044	0.2
54.55984	0.2
59.01363	0.4
61.98831	1.2
61.99097	0.2
63.54702	0.2
64.37292	0.2
71.18882	0.3
72.62276	0.2
78.95897	6.2
96.95995	0.4
103.20403	0.2
111.39633	0.2
129.63054	0.2
131.04625	0.2
143.11644	0.2
152.99577	1.1
168.04259	1.3
207.84407	0.2
224.06879	1.1
242.07956	2.7
261.22186	0.5
279.23254	100.0
280.23615	4.5
290.19403	0.2
311.35498	0.2
504.30914	40.0
505.31256	2.1
554.32715	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.3506
Annotation	Muscanone
Peak:m/z	Relative Intensity
59.01372	1.7
60.94384	0.8
61.98820	7.3
68.37855	0.9
69.45845	7.2
71.50191	0.8
78.95911	1.3
80.96513	5.0
85.17451	0.9
96.96010	7.2
98.19813	1.4
113.32506	0.8
164.98711	1.0
191.05659	1.0
225.00536	0.9
226.30360	0.9
279.23447	1.2
309.21109	0.9
327.54681	0.8
391.24072	0.8
393.31403	1.5
417.04959	1.0
453.33487	1.9
466.29309	1.0
471.34744	100.0
472.35172	7.2
532.34589	0.9
553.27216	4.2
553.35101	76.6
554.35400	5.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.3743
Annotation	Unknow
Peak:m/z	Relative Intensity
50.95992	0.4
55.01858	0.6
57.03427	1.0
59.01375	0.6
67.01885	0.7
69.03449	9.6
71.01358	2.1
71.05013	2.4
81.03441	0.5
83.04998	0.9
84.62460	0.5
91.04002	0.5
97.02884	0.7
97.06600	1.2
108.02145	0.6
109.06554	0.5
123.08100	2.5
125.09723	4.0
137.09753	1.0
148.16029	0.4
149.09717	1.3
151.11270	7.3
153.12849	1.7
161.08447	0.8
161.09703	11.7
163.64684	0.5
179.10759	33.3
180.11089	1.0
197.11809	85.4
198.12158	1.8
223.09743	5.2
237.22240	0.7
241.10791	12.9
241.13109	0.9
255.23268	86.8
256.23648	3.7
297.13385	8.4
315.14453	15.5
316.14911	1.2
417.33957	0.5
509.86041	0.5
553.37408	100.0
554.37769	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	554.1148
Annotation	Unknow
Peak:m/z	Relative Intensity
53.70813	0.5
54.12722	0.4
59.01377	4.1
61.98827	100.0
64.58522	0.5
65.03965	0.5
71.01393	1.2
76.53162	0.5
79.63295	0.5
83.01380	0.5
85.02956	1.4
86.19812	0.5
88.98801	0.5
91.01891	18.7
93.03452	1.6
96.31989	0.4
96.96021	2.9
101.02460	0.8
108.02180	0.8
109.02947	10.2
113.02496	0.6
121.02962	0.7
123.04517	0.5
125.02422	1.0
125.28809	0.4
133.02934	2.2
133.72789	0.5
134.03726	0.6
135.00877	60.1
135.04507	1.9
136.01460	1.0
137.02422	3.3
138.56281	0.5
149.02437	0.8
150.03242	0.7
151.03914	0.5
153.01930	42.9
154.02258	0.8
161.02428	4.7
163.03961	0.9
171.10324	0.6
173.04492	1.5
175.03905	0.6
177.01918	0.6
178.02504	0.5
179.03503	1.6
189.01781	0.8
191.05615	4.7
192.05913	0.7
193.05064	0.9
239.40369	0.5
243.06259	0.6
246.17989	0.5
279.05014	1.4
297.06210	0.8
318.85855	0.6
323.94913	0.5
339.07175	77.7
340.07535	3.4
555.28412	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.1146
Annotation	Unknow
Peak:m/z	Relative Intensity
50.11314	0.3
53.55516	0.2
59.01376	3.8
60.23585	0.2
61.98825	100.0
67.01871	0.3
69.03451	2.5
69.27757	2.0
69.28172	0.7
71.01385	1.2
72.99316	0.3
73.02954	0.4
75.00890	0.4
77.23616	0.2
79.01903	1.1
79.07525	0.3
79.95773	0.3
81.03448	0.4
81.38428	0.3
85.02950	1.0
87.00910	0.3
88.98821	0.3
89.02445	0.5
93.03469	1.0
95.01400	0.7
96.96004	9.6
97.02940	1.9
101.02446	0.4
107.01397	2.4
108.02160	2.3
109.02953	4.3
113.02426	0.5
116.92847	0.4
121.02940	1.7
123.00891	0.9
124.01598	0.2
125.02435	2.7
127.07678	0.3
128.03499	0.7
133.02982	0.9
135.00870	0.3
135.04520	2.1
136.01596	0.3
136.04811	0.3
137.02441	1.6
146.04616	0.5
149.02461	0.8
151.00362	2.5
151.04030	0.4
152.01102	0.4
153.01921	11.7
154.02364	0.3
159.04538	0.3
161.02443	2.2
161.05991	0.4
163.04082	0.5
167.03551	0.3
173.04597	1.0
175.03931	0.4
177.01976	0.4
179.03500	1.1
185.18318	0.3
191.05588	3.6
197.06111	1.1
198.06711	0.3
242.05867	1.5
243.06589	3.2
271.02466	0.3
279.05066	7.1
289.07156	0.3
297.06104	4.9
301.03723	0.6
339.07135	13.1
340.07404	0.4
394.78394	0.3
434.08951	0.3
447.12845	3.6
523.70599	0.3
554.13123	0.4
554.21161	0.5
555.21246	0.7
555.29352	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.1151
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	9.8
61.98829	100.0
68.10493	1.0
69.36526	4.7
69.36961	3.8
71.01387	2.6
78.95901	1.8
91.01880	6.1
93.03458	4.0
96.96001	4.3
108.02184	6.9
109.02949	2.7
123.00871	2.0
123.04520	1.2
135.00856	7.8
135.04506	1.6
137.02434	4.2
152.01131	8.7
161.02434	1.6
171.00609	1.5
173.04539	1.8
189.01988	1.2
191.05586	8.9
197.06075	1.8
209.11801	1.0
215.06955	1.0
243.06586	58.1
244.06876	2.2
287.05731	1.1
447.12921	9.5
554.24231	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	554.3014
Annotation	Unknow
Peak:m/z	Relative Intensity
51.32001	0.3
59.01368	0.5
61.98833	3.1
70.93449	0.3
70.93789	0.6
78.95902	23.3
80.96521	0.4
96.96952	0.4
124.37938	0.4
128.80595	0.3
152.99573	3.0
168.04300	3.4
191.05545	0.5
194.05887	0.4
224.04825	0.6
224.06912	9.3
242.07938	2.0
261.22217	0.6
275.25043	0.3
279.23260	100.0
280.23593	4.7
348.87735	0.4
454.34048	1.1
471.34653	1.1
472.35056	5.1
504.30923	79.6
505.31210	5.8
553.35046	0.8
554.27277	0.9
554.35394	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	552.3537
Annotation	Unknow
Peak:m/z	Relative Intensity
57.10556	0.3
58.44423	0.3
59.01376	3.6
60.01694	0.5
61.01787	0.4
61.98825	100.0
64.86897	0.3
70.01880	1.4
74.37959	0.3
78.95900	1.6
82.19373	0.3
85.05926	0.3
87.95414	0.3
96.96053	0.3
152.99638	0.7
277.21710	3.2
502.29492	2.6
553.35309	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.3537
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05938	0.3
52.21386	0.2
59.01382	2.6
60.43809	0.2
61.98827	100.0
64.10534	0.3
70.61926	0.6
70.62293	0.5
73.13871	0.3
73.37753	0.2
78.95901	0.7
80.90202	0.3
88.03374	0.3
96.04837	0.3
112.99387	0.3
140.97163	0.3
142.76651	0.3
152.99580	0.7
253.21631	2.2
465.30136	0.3
478.29556	1.1
532.62549	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.3538
Annotation	Unknow
Peak:m/z	Relative Intensity
50.15290	0.5
52.63828	0.6
57.38384	0.5
59.01380	3.5
61.98826	100.0
66.27715	0.5
69.38157	4.1
71.01378	0.8
96.96025	0.7
109.02975	0.7
119.07794	0.5
134.13081	0.6
137.02443	0.6
173.04596	1.1
191.05585	4.6
474.46500	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.2055
Annotation	Physalin V
Peak:m/z	Relative Intensity
55.88522	1.1
58.00537	1.4
59.01091	2.0
59.01374	26.6
60.67140	1.1
61.98829	5.7
71.01372	20.0
72.99278	2.6
73.02955	5.9
73.13956	1.1
77.86565	1.1
80.25813	1.0
85.02927	3.4
87.00847	1.7
89.02440	47.6
91.24120	1.0
93.03436	2.5
96.96028	2.9
99.00855	10.7
101.02435	20.6
107.59806	1.1
109.02921	1.4
113.02422	3.5
115.03969	1.3
119.03471	1.4
121.02938	2.3
125.02435	2.6
131.03503	8.5
135.04492	2.3
143.03496	3.5
149.04541	71.6
150.04933	1.4
161.02470	1.6
161.04536	6.3
173.04544	2.3
191.05592	23.8
192.05992	1.4
221.06651	15.7
251.07716	12.3
275.07645	1.3
281.08755	1.1
293.08725	4.4
295.79398	1.0
307.02063	1.1
311.09833	21.0
517.22925	4.6
553.20538	100.0
554.20624	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	551.299
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	20.4
61.98827	100.0
69.40674	93.0
69.78941	10.9
78.95923	14.1
87.84976	11.4
96.96028	30.4
98.20619	29.8
144.79491	12.5
178.30693	16.9
216.34944	11.8
279.23044	13.8
291.04245	11.9
551.30237	43.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.299
Annotation	Unknow
Peak:m/z	Relative Intensity
54.94217	7.7
61.98834	100.0
67.06680	10.7
69.46261	37.2
69.46682	35.7
78.95900	30.0
96.96035	17.4
109.47243	8.4
144.11938	9.9
152.99536	26.9
181.95399	8.6
191.05637	22.9
238.64725	8.6
279.23318	24.4
291.19540	18.8
309.20547	17.4
321.02753	10.1
465.29642	11.1
469.33432	15.2
488.34998	16.4
551.31555	22.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.3439
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	0.6
58.43104	0.3
59.01376	13.3
59.01678	0.7
61.98813	0.4
69.28883	0.5
69.29288	2.2
71.01379	2.3
73.02942	0.9
78.95905	0.7
80.96509	0.3
83.01376	0.5
85.02959	0.9
87.00861	0.4
89.02433	2.0
95.01372	0.3
96.95968	0.3
97.97462	0.3
98.20605	0.5
101.02442	2.9
113.02435	1.2
119.03499	0.7
133.05049	0.4
142.49362	0.3
152.99583	0.8
161.04517	1.3
179.05579	0.6
182.08910	0.3
191.05585	2.3
235.08217	2.7
246.56441	0.3
253.06627	0.6
253.09256	11.8
255.23265	100.0
256.23611	4.4
318.15280	0.3
355.82083	0.3
465.30176	0.3
491.31946	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.3021
Annotation	Unknow
Peak:m/z	Relative Intensity
54.18506	0.2
58.24672	0.2
59.01374	0.6
61.98827	100.0
62.70910	0.2
71.01396	0.5
71.62295	0.3
76.51403	0.3
78.95904	1.7
79.95750	0.7
80.96513	3.8
82.10575	0.3
87.28241	0.3
94.98109	0.7
96.96021	0.4
134.97487	0.3
148.99112	0.3
152.99617	1.9
164.98599	0.5
225.00792	1.0
253.21669	0.5
254.22112	0.4
465.29944	0.9
471.34488	0.3
552.32788	0.4
553.26721	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	551.2857
Annotation	Withangulatin D
Peak:m/z	Relative Intensity
57.03474	0.3
58.00607	0.4
59.01376	100.0
60.01716	0.4
61.98829	1.6
69.53611	1.7
71.01382	8.0
72.99312	0.5
73.02943	5.8
75.00871	0.3
80.21313	0.2
81.15925	0.2
83.01377	2.6
85.02956	1.7
86.03327	0.3
87.00889	0.7
89.02443	5.9
92.80831	0.2
93.03434	0.2
95.01378	0.5
96.96029	0.2
97.02938	0.2
99.00881	0.3
101.02440	10.7
112.35191	0.2
113.02451	3.9
119.03491	3.7
125.02451	0.6
131.03523	0.9
143.03497	1.8
149.04543	1.7
152.99619	0.3
160.65947	0.3
161.04553	4.1
167.00475	0.2
179.05582	2.0
189.01927	0.8
191.05681	0.9
191.94289	0.2
203.05681	0.9
215.89340	0.2
221.06700	1.1
287.20010	0.3
431.24301	3.4
432.24683	0.3
449.25391	9.8
450.26108	0.9
491.26459	9.4
492.26880	0.8
551.31250	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.271
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	2.2
57.03433	1.7
58.00576	1.2
59.01378	100.0
61.98819	4.0
67.01894	1.5
69.03456	1.1
71.01379	45.8
71.62978	1.7
72.99305	4.2
73.02946	12.1
75.00885	1.9
79.95718	5.2
82.95395	2.4
83.01388	6.0
85.02948	24.3
85.88730	1.0
87.00875	2.8
89.02441	19.1
93.03448	9.6
95.01391	3.5
95.95222	1.3
96.02127	1.2
96.96004	14.7
97.02940	1.7
98.95605	1.6
99.00880	6.4
101.02442	33.4
109.02942	8.2
111.00866	1.4
111.04521	1.6
113.02435	20.4
115.92098	1.3
119.03497	5.1
121.02947	2.2
121.71264	1.1
123.04485	5.5
125.02427	2.4
131.03461	1.6
133.02957	9.1
134.03386	1.1
135.04520	22.5
137.02451	10.2
139.04027	1.6
143.03519	1.9
151.04099	2.0
153.01903	13.3
153.05556	4.3
159.02954	3.7
159.04347	1.6
161.02434	26.3
161.04527	24.8
162.02782	5.4
167.03528	2.2
173.04556	12.6
179.03488	10.5
179.05583	4.5
181.94821	1.2
187.03983	14.3
191.05602	72.8
192.05911	1.5
231.06920	9.2
239.06691	36.0
239.09154	2.0
239.56880	7.8
240.06671	3.9
240.56720	1.4
260.75391	1.0
297.15036	2.6
301.03397	1.1
315.15970	4.8
329.17502	4.5
335.07571	1.3
341.13931	6.9
353.08844	7.6
359.14932	15.4
365.17822	2.9
366.18448	1.4
381.17087	2.0
389.06479	1.7
389.18124	12.1
399.18259	4.6
400.18625	1.5
413.10754	3.5
428.87744	1.1
429.13715	1.3
447.25647	1.8
452.34482	1.1
465.26971	2.3
489.26886	1.4
491.22836	64.4
492.23251	6.6
507.28076	59.5
508.28494	6.5
515.11700	1.2
550.03864	1.1
551.18121	4.3
551.22693	7.4
551.31165	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	549.3793
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	0.3
59.01376	100.0
60.01702	0.5
61.98847	0.4
69.92892	0.2
70.83945	0.5
71.01391	0.8
73.02941	2.4
77.83611	0.2
91.31141	0.2
103.04022	0.8
159.03822	0.3
168.05524	0.2
364.78259	0.3
439.31662	0.4
441.33704	2.8
453.33862	0.6
471.34647	1.1
489.35892	2.9
490.36551	0.4
549.37976	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.3795
Annotation	Unknow
Peak:m/z	Relative Intensity
55.09818	0.4
55.20894	0.4
56.78234	0.4
59.01377	100.0
60.01712	0.7
61.72354	0.4
61.98827	1.6
71.01389	1.8
71.08836	0.7
73.02944	2.9
78.54180	0.4
84.50989	0.4
96.95969	0.4
101.93371	0.4
103.04031	0.6
114.42103	0.4
121.02953	1.0
161.56992	0.4
191.05597	0.4
207.88248	0.4
223.40216	0.4
329.70856	0.4
371.29507	0.5
407.18390	0.4
411.32819	0.6
441.33798	2.5
453.34363	0.5
471.34604	0.9
489.35806	6.2
549.37811	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.1402
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	14.2
61.98825	0.6
69.03389	0.6
69.31525	1.0
69.31927	3.7
71.01381	10.7
71.81313	0.5
72.81989	0.5
72.99300	1.9
73.02935	0.9
73.30712	0.5
83.01345	0.7
85.02948	4.2
87.00879	1.3
89.02440	13.3
93.03456	1.6
93.83344	0.5
95.01366	1.1
96.96024	2.6
97.02936	0.7
98.95557	0.6
99.00902	0.7
101.02441	5.9
108.02168	50.0
109.02965	12.1
113.02447	4.5
119.03498	6.6
121.02950	24.4
123.00870	0.5
131.03581	0.6
133.02939	1.5
134.03719	0.9
135.04530	9.7
137.02426	3.6
143.03467	1.0
149.04533	0.6
151.04010	0.6
152.01141	100.0
153.01955	5.4
159.04517	0.7
161.02425	1.6
161.04501	1.4
163.03993	3.7
171.31885	0.5
173.04495	1.5
175.04001	1.4
177.01927	1.4
179.03488	8.4
179.05551	1.5
191.05595	15.5
202.06271	0.9
205.04997	0.9
207.02983	1.1
220.07269	0.9
235.09636	0.7
239.06709	2.5
239.56589	0.5
250.51163	0.5
297.06155	0.8
311.09302	1.3
315.07220	1.1
321.20538	1.0
351.21750	3.9
353.08710	14.4
354.09247	0.8
371.14954	4.3
381.17526	1.0
399.18494	0.8
415.11688	0.7
425.05212	0.5
429.10330	29.1
430.10715	1.7
505.26538	0.8
515.11664	1.0
515.18439	0.6
551.14008	88.2
552.14319	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	549.3791
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03425	0.2
59.01376	100.0
59.83261	0.2
60.01717	0.5
67.81490	0.2
69.36818	1.9
71.01401	0.5
73.02955	1.3
75.94517	0.2
77.52482	0.2
98.19794	0.4
101.43298	0.2
103.04031	0.5
191.25554	0.3
278.02963	0.2
400.14450	0.2
439.87338	0.2
441.33710	2.5
471.29004	0.2
471.34494	1.2
489.35782	2.0
549.38165	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.3639
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	1.0
57.03447	1.5
58.00602	0.3
59.01377	100.0
59.97511	0.1
60.01718	0.5
61.11550	0.2
61.91815	0.1
61.98825	0.8
63.06939	0.2
67.18789	0.1
68.63787	0.1
69.03458	0.4
71.01379	16.0
71.62121	0.2
72.01715	0.2
72.99323	0.7
73.02946	4.1
75.00857	0.3
78.95872	0.2
83.01389	2.4
84.02161	0.2
85.02950	9.3
86.00102	0.4
86.76574	0.1
87.00871	0.9
87.03149	0.1
89.02439	2.7
93.03476	0.5
95.01374	2.0
96.96014	1.7
97.02953	0.8
99.00879	1.9
99.92609	0.2
101.02441	7.7
109.02943	0.5
110.03445	0.1
111.00884	0.7
112.01678	0.2
113.02446	9.6
113.72170	0.1
115.03970	0.4
115.92086	2.1
116.92835	0.8
119.03498	0.7
119.04995	0.2
123.04542	0.2
124.01691	0.4
125.02464	0.8
129.01926	0.2
133.02953	0.2
135.04529	1.0
136.04944	0.2
137.02460	0.2
143.03500	2.3
146.21637	0.1
154.46507	0.2
159.02957	0.7
161.02435	0.5
161.04550	3.5
161.05864	0.3
163.53496	0.2
168.89021	0.1
171.13884	0.5
171.77515	0.1
173.04533	0.5
173.96519	0.2
175.03990	0.2
177.01950	0.3
179.03568	0.2
185.15390	0.2
189.01997	0.8
190.02437	0.4
191.02573	0.2
191.05585	1.6
197.15483	0.3
210.12151	0.2
217.01399	0.7
218.01651	0.4
219.01944	0.2
229.08592	0.1
231.06984	0.4
265.21552	0.2
279.23047	0.2
299.25876	1.6
320.33936	0.2
327.29016	0.3
328.05374	0.3
329.05780	0.2
329.22794	0.2
341.06570	0.5
342.07010	0.3
343.07465	0.2
345.30069	4.3
387.31290	0.5
415.30231	0.2
421.11661	0.3
441.32156	0.2
453.32104	0.3
459.33127	0.5
475.55389	0.2
489.34302	51.0
490.34659	3.6
507.35330	24.3
508.35693	1.9
549.23279	0.3
549.37061	2.5
550.36395	0.2
555.50757	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	549.3066
Annotation	4,5-Dihydroxykleinifulgin
Peak:m/z	Relative Intensity
56.81997	0.3
57.03456	0.4
59.01379	3.1
71.01373	0.5
73.76839	0.3
79.95730	0.6
81.32787	0.3
83.05008	0.4
85.02947	1.0
87.04498	1.1
89.02446	0.3
96.96005	11.8
98.19841	0.7
101.02405	0.4
111.04517	0.3
123.04514	0.9
133.02943	2.4
135.04497	1.7
161.02440	6.2
162.02684	0.3
173.13557	0.3
174.99411	0.3
175.80197	0.3
177.05469	0.5
179.03516	1.5
191.05588	0.6
206.06369	0.3
221.04553	0.8
221.55994	0.3
281.06528	0.6
297.22443	0.4
337.25113	0.5
349.25116	0.4
353.08731	0.3
353.24915	0.3
379.26331	0.3
387.16635	0.5
391.26208	0.3
405.26459	4.5
406.27078	0.3
423.28040	0.3
441.30087	1.4
443.31656	3.0
444.31775	0.4
445.29813	0.3
457.29401	0.4
459.31250	0.5
469.29510	3.6
470.29895	0.4
487.23746	0.3
487.30673	5.3
488.30579	0.6
505.31671	9.4
506.32010	0.8
549.23511	5.2
549.30658	100.0
550.23584	0.6
550.31024	9.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.3275
Annotation	Unknow
Peak:m/z	Relative Intensity
53.06932	0.2
59.01377	14.1
61.98812	1.0
67.85493	0.2
69.19220	0.2
71.01375	2.5
71.76730	0.2
73.02934	0.6
75.00938	0.2
82.04562	0.2
85.02950	0.9
87.00855	0.3
89.02441	2.0
95.01406	0.3
96.96014	0.4
101.02438	2.8
113.02436	1.1
119.03488	0.6
121.02993	0.3
123.70604	0.2
125.02385	0.2
133.05043	0.3
139.20181	0.2
161.04530	0.7
179.05623	0.3
235.08217	2.4
253.09277	11.3
253.21703	100.0
254.09651	0.3
254.22040	3.8
309.20773	0.2
324.94250	0.2
459.34607	0.4
489.30606	0.8
549.30292	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.3278
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03416	1.0
58.00592	0.9
59.01377	100.0
61.98834	7.1
69.25283	7.4
71.01383	9.7
73.02952	3.9
76.54423	0.7
78.95924	0.7
83.01373	1.5
85.02960	5.7
87.00890	1.0
89.02454	1.6
93.03470	2.1
94.17881	0.8
95.01408	0.9
96.96017	2.2
98.20616	1.7
99.00877	1.6
101.02437	3.6
109.02977	1.8
113.02441	3.7
137.02470	1.3
159.02979	0.7
161.02435	0.8
161.04573	2.5
173.04567	1.8
177.01947	1.8
189.01991	2.9
190.02306	1.4
191.05540	4.4
217.01392	4.5
218.01859	2.1
219.01941	2.3
229.08682	1.4
251.52214	0.7
280.00113	0.8
327.21359	0.9
328.05417	1.4
338.36856	0.8
341.06702	2.6
343.06989	1.3
445.31656	16.4
446.32080	1.9
463.32892	9.3
489.34109	1.9
507.35013	1.1
549.16443	1.1
549.30896	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	549.0699
Annotation	Unknow
Peak:m/z	Relative Intensity
56.92338	0.1
58.07212	0.1
59.01361	0.2
69.72311	0.1
70.65966	0.1
71.62106	0.1
76.37366	0.1
79.95729	2.7
93.03430	0.1
96.96004	100.0
97.95933	0.2
98.95580	0.3
100.55986	0.1
101.02413	0.2
109.02924	0.2
123.04544	0.2
135.04459	0.1
137.02505	0.1
161.02483	0.2
163.03990	0.2
173.04581	0.2
177.01898	0.3
189.01855	0.5
190.02608	0.1
191.03616	0.1
191.05592	0.4
192.05923	0.1
217.01373	0.4
222.13695	0.1
329.56018	0.1
341.06641	1.1
351.21780	0.8
451.10321	0.9
486.86679	0.1
504.30487	0.1
547.91388	0.1
548.29614	1.4
549.29962	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.2471
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01431	3.6
61.98880	0.6
65.00094	0.7
69.70108	1.5
69.70522	1.8
71.01452	3.1
73.02963	0.6
82.70569	0.5
82.95441	1.1
83.05054	0.9
85.02940	2.5
87.00932	0.7
89.02531	1.9
93.03448	2.7
96.96008	9.6
98.95667	2.8
98.96503	0.6
101.02522	2.4
109.03033	1.7
113.02552	1.5
115.92171	0.7
125.02498	0.8
134.03796	0.7
135.04532	4.5
137.02451	3.3
151.04057	1.2
152.85777	0.5
161.02478	1.4
161.04646	0.9
164.03685	0.6
173.04579	1.5
173.06042	0.6
179.05693	0.6
191.05597	5.2
192.05962	0.7
197.02190	6.1
239.06836	0.6
252.96945	0.6
283.02408	1.2
351.21719	100.0
352.22043	5.5
366.21957	0.6
487.07126	1.0
544.87378	0.6
549.16760	1.6
549.24457	32.1
550.15540	0.6
550.24817	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.2469
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03477	0.7
58.35006	0.6
59.01380	4.4
71.01366	4.1
71.18633	1.2
73.02965	1.5
80.86047	0.6
85.02941	3.4
87.00908	1.6
89.02494	2.3
90.34229	0.7
93.03474	1.6
96.96004	7.7
98.95610	1.2
99.00922	0.8
101.02499	2.5
108.02198	0.7
109.02990	1.0
115.00428	1.8
125.02493	1.7
135.04565	0.9
137.02486	1.0
139.07661	1.3
151.04105	0.7
159.82391	0.7
161.02472	1.7
161.04572	1.7
173.04564	1.8
175.02538	1.7
176.02797	0.6
179.03543	0.9
191.05594	13.7
192.05920	3.5
193.06105	2.7
197.02242	7.4
240.55341	0.7
247.04422	0.7
312.09964	1.1
327.12509	1.0
333.66669	0.7
351.21722	100.0
352.22070	6.1
372.07553	0.8
489.19708	5.3
529.36310	0.7
549.16498	2.0
549.24548	47.3
550.24805	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	549.2961
Annotation	Unknow
Peak:m/z	Relative Intensity
57.62932	0.1
58.12301	0.1
59.01378	0.1
70.89616	0.2
78.95893	0.7
79.95734	2.4
84.49049	0.1
96.96004	100.0
97.95931	0.2
98.95589	0.1
109.02972	0.1
191.05635	0.1
247.97469	0.1
269.80673	0.1
280.86057	0.1
301.98831	0.1
341.06793	0.2
451.10443	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.0699
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01360	0.4
65.99817	0.1
71.01366	0.4
73.02954	0.2
75.71844	0.1
78.46336	0.1
79.95727	2.6
96.96004	100.0
98.20761	0.3
101.02419	0.3
109.02962	0.4
113.02436	0.2
123.04543	0.3
133.02963	0.5
135.04492	0.3
137.02483	0.1
151.03964	0.2
161.02467	1.3
175.04001	0.1
177.01897	0.6
178.02277	0.3
179.03648	0.2
180.08994	0.1
189.01921	1.1
190.02386	0.6
191.03360	0.2
191.05583	0.2
192.03844	0.2
203.03380	0.1
216.00581	0.2
217.01347	0.9
218.01755	0.4
219.02960	0.3
220.03270	0.2
233.03731	0.1
239.06541	0.2
326.20593	0.1
341.06577	1.7
342.07010	1.6
343.07269	1.2
451.10321	0.9
549.15863	0.2
549.24762	0.2
549.29822	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.3635
Annotation	Unknow
Peak:m/z	Relative Intensity
51.19682	0.4
59.01375	100.0
60.01704	0.7
61.98822	1.4
71.16089	0.4
71.62882	0.7
80.77904	0.4
125.39830	0.4
140.41740	0.4
250.21161	0.4
439.32092	3.5
474.02518	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.3633
Annotation	Unknow
Peak:m/z	Relative Intensity
53.09325	0.6
59.01375	100.0
59.87577	0.8
60.78306	0.7
61.98839	4.4
64.10902	0.8
65.20058	0.7
68.75837	0.8
69.35709	1.4
69.36125	6.0
71.01369	0.9
73.02941	1.8
75.00863	3.7
76.97986	0.7
82.96070	0.8
85.02940	1.6
91.71741	0.8
94.05949	0.8
97.10647	0.9
97.15376	0.7
126.78755	0.8
130.58633	0.8
191.05516	1.0
195.13797	0.8
198.01260	0.8
217.01273	1.1
383.29306	1.5
439.32022	3.2
457.33057	2.9
457.86511	1.0
469.32953	1.0
487.34195	3.4
547.36481	1.0
560.97418	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	548.1519
Annotation	Unknow
Peak:m/z	Relative Intensity
56.81226	0.4
59.01376	1.4
60.99301	0.4
67.01888	1.2
69.03448	0.5
70.03530	1.7
71.01384	1.6
72.27847	0.4
73.02938	0.4
74.91065	0.4
80.81422	0.3
81.03429	0.5
83.05011	0.5
85.02943	10.2
87.00866	3.0
93.03452	11.2
99.00873	0.5
109.02956	1.3
111.04520	2.4
117.03463	2.7
117.99958	0.4
127.04018	3.0
129.03406	0.9
137.02455	1.1
145.02934	4.2
146.03722	10.0
147.04515	27.3
148.04858	0.8
154.02547	1.3
155.03532	0.7
161.02368	2.0
162.03258	2.1
163.04004	11.3
169.04919	9.7
170.05231	0.5
171.02975	1.2
173.04553	11.1
173.06000	0.8
174.03165	2.0
184.07271	12.8
186.06824	0.5
188.04782	0.6
189.01909	9.9
190.02695	5.1
191.03552	18.7
191.05603	100.0
192.04190	1.9
192.05989	1.2
276.09933	0.6
292.09500	0.6
319.08148	1.5
320.09091	3.2
363.07169	33.3
364.07941	33.9
365.08435	2.1
548.09534	0.7
548.16052	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.364
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	100.0
61.98825	5.2
65.24554	0.6
69.64624	2.2
69.65054	2.1
71.01376	0.7
93.03456	1.3
96.96011	1.5
98.20602	1.5
104.02561	0.7
109.02928	0.9
133.02948	0.8
135.04539	1.1
146.99211	0.8
173.04564	1.1
189.01959	1.9
191.05556	3.6
217.01505	3.2
290.47025	0.7
311.22385	0.8
327.05099	1.4
384.46793	0.8
403.98648	0.8
404.91666	0.7
409.31302	1.4
421.31293	1.3
439.32233	1.2
457.33218	17.6
458.33585	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.3486
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	0.9
57.03442	1.8
58.00594	0.3
59.01376	100.0
60.01712	0.6
60.74840	0.2
61.98828	2.8
67.01895	0.2
69.03452	0.4
69.29232	1.7
71.01378	17.0
72.01708	0.3
72.99318	0.5
73.02946	4.9
74.02471	0.4
75.00893	0.3
76.28453	0.1
78.90931	0.2
79.95741	0.2
81.96606	0.2
83.01377	2.6
83.05045	0.2
85.02949	9.3
86.00111	0.5
87.00873	1.2
88.96642	0.2
89.02444	3.6
93.03446	0.9
95.01392	1.7
96.96005	5.4
97.02956	0.6
98.20586	0.3
99.00873	2.2
101.02438	9.7
103.53811	0.2
108.02187	0.2
109.02951	1.3
111.00897	0.7
111.04516	0.2
112.01720	0.3
113.02442	10.3
114.02806	0.3
115.04031	0.2
119.03499	1.2
120.97459	0.2
121.10239	0.7
123.04517	0.5
124.01650	0.3
125.02426	1.1
128.03522	0.3
129.01939	0.5
133.02943	0.3
135.04520	0.6
137.02409	0.2
141.01950	0.2
143.03468	2.0
145.02901	0.2
147.04411	0.2
157.12367	0.2
159.02997	1.3
161.02440	0.4
161.04544	6.7
165.01912	0.2
171.13902	0.5
173.04544	1.2
173.05800	0.2
177.01935	1.4
177.09192	0.2
179.03447	0.2
179.05687	0.3
185.15466	0.5
187.03999	0.2
187.07631	0.3
189.01915	4.7
190.02663	0.7
191.03526	0.9
191.05602	1.8
192.05847	0.2
202.06384	0.2
203.03531	0.2
205.08649	0.2
216.00699	0.8
217.01395	7.6
218.01758	0.4
219.02907	0.9
231.02969	0.7
231.10225	0.7
233.04442	0.3
277.00262	0.2
279.23178	0.3
297.24420	0.4
315.18317	0.3
325.27490	0.4
326.04178	0.3
327.05072	2.6
329.19702	0.7
333.19138	0.7
341.06604	2.9
343.28436	2.7
347.20758	0.9
359.81403	0.2
401.10742	0.2
407.07666	0.3
419.11288	1.3
427.30399	0.3
437.12381	0.4
437.72015	0.2
439.30536	0.5
449.08804	1.0
449.14563	0.3
450.04053	0.2
457.31824	0.5
469.31604	0.6
487.32721	41.3
488.33051	3.2
504.28159	0.4
505.33801	21.5
506.33899	1.4
547.15192	0.4
547.22937	0.8
547.34918	1.8
548.31049	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.2183
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	0.7
59.01378	7.2
61.98825	1.2
69.03457	0.4
69.61951	2.9
71.01376	5.3
71.01705	0.5
72.99296	0.9
73.02943	1.2
79.95733	0.7
80.91698	0.4
83.01404	0.9
85.02941	2.2
87.00871	1.0
89.02434	3.8
93.03452	1.5
95.05021	0.6
96.96007	18.3
98.19932	0.5
99.00883	0.6
101.02431	2.7
102.76041	0.5
105.03392	0.6
107.05046	0.5
109.02941	3.1
111.04555	0.5
113.02428	1.1
117.03460	1.1
119.03502	0.9
121.02945	2.1
123.04528	1.1
123.61742	0.4
125.02441	0.8
132.02193	2.1
133.02948	33.0
134.03770	3.1
135.04518	47.6
136.04846	1.1
137.02449	3.0
147.04434	0.5
148.05278	1.7
149.06078	8.2
153.01921	3.0
153.09218	0.8
159.04523	0.6
161.02432	100.0
162.02748	2.1
163.03987	0.7
173.04559	1.5
175.04091	0.7
177.01947	1.5
177.05554	16.4
178.02672	0.7
179.03485	62.8
180.03920	2.1
189.01927	1.5
191.05579	4.9
203.03487	1.8
217.01357	0.9
218.02089	0.4
221.04535	29.8
222.04774	1.2
231.06967	1.1
233.04524	1.2
237.07501	0.4
251.05591	30.9
252.05911	1.2
258.01669	0.5
281.06641	56.8
282.07022	1.8
289.07037	0.4
301.03351	1.1
311.07693	0.6
315.05365	0.5
319.77274	0.5
323.07632	1.9
331.73297	0.5
341.08777	44.0
342.09134	1.5
350.97836	0.4
365.17990	0.5
402.76093	0.5
419.11243	1.4
449.14459	1.0
547.21661	28.2
548.22162	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.218
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03438	0.4
58.00605	0.4
59.01096	0.7
59.01377	9.3
61.98826	1.0
68.04731	0.3
69.40842	3.0
71.01380	5.5
72.38337	0.3
72.99306	0.9
73.02944	0.8
79.95736	0.9
81.03463	0.3
83.01382	0.7
85.02939	2.4
87.00871	0.7
88.98806	0.4
89.02443	3.5
89.03942	0.5
93.03453	1.5
95.01366	0.4
95.05022	0.5
96.96005	24.0
99.00907	0.4
101.02429	3.0
105.03460	0.8
107.05051	0.5
107.11565	0.3
109.02958	3.1
111.04594	0.5
113.02452	1.5
117.03475	0.8
119.03492	1.1
121.02959	1.3
123.04517	1.2
125.02509	0.8
132.02097	1.6
133.02951	34.4
134.03795	3.1
135.04515	50.8
136.04840	1.4
137.02429	3.2
139.03976	0.9
145.02948	0.4
147.04520	0.6
148.05286	1.5
149.02432	0.6
149.04659	0.6
149.06067	7.4
150.03244	0.6
153.01955	1.3
153.05562	0.4
153.09212	0.5
159.04446	0.4
161.02431	100.0
162.02817	2.8
163.03986	0.6
165.01849	0.8
166.71846	0.3
173.04575	1.6
175.03952	0.7
177.01968	1.6
177.05551	16.9
178.02687	1.2
178.05862	0.8
179.03481	66.7
180.03784	2.1
187.07581	0.6
189.01929	1.9
189.05611	0.6
191.03844	0.6
191.05574	5.5
192.06107	0.5
203.03540	1.9
205.05063	0.5
207.06570	0.5
211.02454	0.6
213.05600	0.3
216.00610	0.5
217.01360	0.9
221.04532	31.8
222.04863	1.0
231.06923	0.6
233.04515	1.1
251.05586	33.3
252.05931	1.2
257.08203	0.6
281.06644	60.9
282.07025	2.1
289.07187	0.9
305.06766	0.6
311.07761	0.4
323.07706	2.5
341.08774	50.8
342.09247	2.2
365.17969	0.3
367.10565	0.4
385.12762	0.4
419.11319	1.5
426.89816	0.4
449.14670	0.6
481.71066	0.4
547.21674	27.7
548.22064	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	547.182
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	1.4
61.98829	0.6
63.06042	0.4
65.01974	0.4
67.01899	0.5
68.64642	0.4
69.30651	0.4
71.01415	0.8
74.14017	0.4
85.02940	0.5
86.63925	0.4
89.02438	0.5
93.03453	3.4
95.01360	0.5
97.49976	0.4
108.02190	1.6
109.02944	10.3
109.58840	0.4
111.04516	0.5
117.03486	1.1
119.05016	1.0
122.03738	3.0
123.04508	1.4
124.01691	0.6
125.02454	0.8
133.03004	0.5
134.03807	0.6
135.04518	0.5
137.02443	1.5
145.02960	2.2
147.04509	0.9
149.02461	0.8
150.03232	1.5
151.00400	1.6
151.03981	1.0
154.02713	0.4
155.29866	0.4
159.04504	0.8
161.02432	1.9
162.03214	0.4
163.00378	0.7
163.03992	0.8
164.01212	0.4
165.02003	0.8
173.02432	0.8
173.04533	4.4
174.03201	0.8
175.03969	1.0
176.01160	0.6
177.01933	3.8
185.06042	0.7
187.04034	0.9
189.01918	38.8
189.09236	0.7
190.02582	2.9
191.03506	5.3
191.05608	7.1
192.05896	0.6
197.06157	0.5
199.04024	0.5
202.06395	0.4
203.03500	1.0
205.01382	0.6
205.08606	0.5
215.03513	1.0
216.00581	2.3
217.01398	100.0
218.01727	3.4
219.02953	1.5
227.03543	0.9
229.01405	0.6
229.05016	0.8
230.02281	0.8
231.02930	1.8
231.10260	1.5
241.05121	0.5
243.03033	1.3
255.02988	0.6
256.03577	0.5
257.04456	1.3
258.01660	31.8
259.02441	11.4
260.02676	0.5
262.51053	0.4
271.02481	17.0
272.03207	8.4
273.04031	10.4
274.04330	0.6
281.04532	0.9
283.02481	1.5
284.03223	0.8
285.03998	9.4
297.04108	0.7
298.01215	1.3
298.04626	0.7
299.05737	0.7
301.03516	78.7
302.03836	2.8
304.02170	2.1
309.20673	1.1
310.21133	1.0
311.02060	0.7
311.21497	0.8
313.03543	6.4
323.05637	0.8
325.03366	1.0
326.04266	9.2
327.05063	61.0
328.05432	2.8
329.03320	0.9
331.04565	41.8
332.04935	1.7
339.05078	0.6
341.06628	7.5
343.04669	0.9
358.03299	1.3
380.73657	0.4
385.05624	1.6
403.06650	1.2
407.07803	0.7
407.13440	0.9
437.12115	0.8
449.08810	4.8
449.14447	0.7
450.09448	0.9
450.15350	1.3
547.18054	33.7
548.18524	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	547.1607
Annotation	Unknow
Peak:m/z	Relative Intensity
58.20500	0.3
59.01369	1.0
61.98825	1.3
65.00320	0.5
69.53468	0.3
70.94734	0.9
71.01396	0.5
79.95707	0.4
85.02954	0.4
89.03989	0.4
93.03461	1.3
95.05080	0.8
96.95999	3.5
103.05521	0.4
107.01327	0.3
109.02208	0.7
109.02952	13.0
115.05550	0.4
117.03479	0.8
119.05023	0.7
121.02936	0.8
122.03744	0.9
123.04514	10.0
133.02928	3.2
135.00880	0.5
135.04510	1.0
137.02472	0.8
139.84212	0.3
145.02942	1.7
146.03737	0.7
147.04510	3.7
148.01602	0.4
149.02420	0.4
150.03218	1.1
151.03992	4.4
159.04512	0.8
161.02440	4.5
161.05949	0.4
162.03151	0.7
163.03987	0.4
172.05266	0.4
173.04579	0.8
175.03955	1.3
176.01076	1.3
176.04765	4.5
177.01915	24.8
177.09218	0.4
178.02275	0.8
179.03421	0.4
187.03984	1.4
187.07536	0.8
188.01270	0.4
189.01913	53.3
190.02678	8.7
191.03468	8.7
191.05559	1.7
201.01874	1.2
201.09125	0.6
203.03468	5.5
205.05150	0.4
205.08704	4.7
216.00613	11.7
217.01390	40.6
218.01930	2.6
219.02988	12.1
220.03252	0.4
229.01390	2.2
231.02942	10.7
232.03552	1.2
233.04509	1.1
242.02127	0.9
243.03018	0.5
310.21027	0.4
323.05505	1.2
327.05005	3.0
341.06619	100.0
342.07004	5.4
395.11237	0.6
401.10400	0.7
419.11334	11.3
420.11691	0.7
437.12445	2.1
449.08817	0.4
449.14478	0.6
529.15002	2.2
547.15533	7.6
548.16077	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.1605
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01363	1.1
71.07890	0.6
85.02917	0.4
89.03982	0.4
91.01835	0.4
92.38241	0.3
93.03451	0.7
95.04987	0.6
96.96005	8.1
103.05552	0.4
105.03492	0.4
108.02154	0.5
109.02940	10.4
117.03445	0.7
119.05015	1.0
121.02950	0.7
122.03719	0.8
123.04513	9.6
127.08000	0.3
133.02933	2.5
135.00937	0.6
135.04535	0.5
145.02895	1.8
147.04521	4.0
149.02397	0.6
150.03172	1.2
151.04005	3.7
157.83270	0.3
159.04497	1.1
161.02420	2.4
161.06087	0.4
162.03232	0.4
163.03966	0.7
173.04570	0.4
173.06207	0.3
175.03909	1.6
176.01141	0.8
176.04767	4.7
177.01917	19.6
177.09061	0.4
187.03970	1.0
187.07559	0.6
189.01909	42.6
190.02713	8.1
191.03497	8.8
191.05533	1.1
201.01958	0.7
203.03479	5.0
205.08656	4.5
216.00616	8.2
217.01393	29.8
218.01970	2.3
219.02956	9.4
220.03233	0.4
229.01361	0.8
231.02953	8.5
232.03484	1.0
233.04626	1.0
235.19600	0.3
242.02112	0.5
279.06644	0.5
281.04443	0.7
297.07251	0.3
323.05554	1.3
327.05045	0.9
341.06616	100.0
342.06964	6.0
395.11307	0.6
401.10648	0.5
419.11319	5.6
529.15088	1.3
547.15997	6.3
547.23962	0.8
548.16345	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.1607
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	1.0
71.01385	0.5
71.38580	0.5
81.03466	0.5
85.02962	0.4
93.03455	1.1
93.92226	0.3
94.98071	0.8
95.05013	1.0
96.96008	4.9
101.02446	0.3
103.05508	0.4
105.03479	0.3
108.02160	0.4
109.02200	0.6
109.02943	10.4
117.03459	0.5
119.05029	0.8
121.02933	0.6
122.03710	0.6
123.04519	10.7
133.02945	2.2
135.00859	0.5
135.04498	1.8
137.02449	0.8
139.50487	0.4
145.02910	1.6
147.04535	3.3
149.02448	0.6
150.03203	1.0
151.03989	4.6
155.69191	0.3
159.04486	1.4
160.01636	0.5
161.02446	3.1
161.06036	0.4
162.03203	0.7
163.03951	0.4
165.05498	0.6
173.04527	1.1
175.03993	2.2
175.07741	0.3
176.01118	0.9
176.04779	4.5
177.01915	18.4
177.09235	0.6
178.02333	0.7
179.03471	1.3
187.04025	1.1
187.07629	1.2
189.01917	42.4
190.02681	9.4
191.03468	8.5
191.05556	2.4
201.01920	0.5
203.03506	4.3
205.04964	0.4
205.08672	4.3
216.00601	6.9
217.01395	30.1
218.02025	2.4
219.02974	10.2
225.07489	0.3
231.02971	7.6
231.10216	0.7
232.03540	1.0
233.04471	0.8
238.82542	0.3
281.06790	0.5
289.07205	0.7
297.07687	0.4
323.05627	1.1
341.06616	100.0
342.06924	6.6
395.11023	0.5
419.11536	1.7
529.14618	0.5
547.15692	8.8
547.29047	1.2
548.15820	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.1126
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03427	0.2
59.01374	0.8
61.98838	0.3
67.01887	0.3
69.96871	0.8
71.01374	0.8
73.02960	0.4
79.95734	3.1
81.03455	0.2
82.95419	0.3
85.02937	0.5
86.96295	0.2
87.00871	0.5
89.02442	0.4
93.03447	1.4
96.96007	100.0
97.95950	0.3
98.19942	0.3
98.95592	0.4
99.00884	0.3
101.02444	0.2
101.41443	0.2
109.02948	0.4
111.04539	0.3
113.02495	0.3
123.04504	0.3
125.02429	0.5
128.03574	0.3
133.02939	0.4
134.03751	0.5
135.04512	1.1
136.01631	0.2
137.02443	0.6
146.04579	0.5
149.02458	0.2
151.03986	0.6
161.02495	0.8
161.04553	0.2
165.01842	0.2
173.04541	2.1
177.01903	0.2
179.03455	0.8
189.01831	0.2
191.05594	6.1
192.06007	0.5
193.05037	0.2
211.06096	0.4
219.02888	0.2
231.10175	0.2
257.08224	0.3
275.09320	0.3
289.07132	0.2
313.09299	0.6
327.10977	0.6
328.11353	0.3
329.11694	0.7
349.20346	0.2
353.08905	0.5
367.11655	0.3
371.10034	0.2
385.12204	0.2
449.14478	1.1
486.27753	0.2
547.20313	0.5
547.27960	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.1604
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	1.8
61.98806	0.4
69.92226	1.1
71.01379	0.9
71.52916	0.2
73.02959	0.3
79.95706	0.5
83.01400	0.3
85.02955	0.8
87.00864	0.3
89.02428	0.4
89.03975	0.4
91.01869	0.3
93.03460	1.0
95.05014	1.0
96.96005	11.1
98.19940	0.4
99.00835	0.3
101.02452	0.7
103.05524	0.5
105.03472	0.4
108.02168	0.5
109.02949	9.8
113.02469	0.3
117.03445	0.8
119.05006	1.0
121.02930	0.7
122.03742	0.8
123.04522	9.1
124.04767	0.3
125.02408	0.6
133.02950	3.8
134.03773	0.4
135.00851	0.5
135.04517	2.4
137.02428	0.8
139.03963	0.2
145.02977	1.7
146.03731	0.5
147.04501	3.6
148.01692	0.4
148.05286	0.5
149.02431	0.7
150.03215	1.2
151.03996	4.4
157.99677	0.3
159.04510	1.0
161.02438	8.5
161.06055	0.5
161.09814	0.3
162.03119	0.4
163.03957	0.7
164.04843	0.3
165.01929	0.5
173.04536	0.7
175.04021	1.7
176.01128	0.7
176.04758	4.5
177.01912	18.9
177.09218	0.6
178.02307	0.8
179.03490	0.6
187.04016	1.2
187.07585	0.7
187.11217	0.3
189.01913	43.9
190.02684	9.2
191.03470	8.1
191.05560	2.3
192.04007	0.3
192.05954	0.2
201.01932	0.4
203.03493	4.6
205.05011	1.0
205.08650	4.3
207.10309	0.3
215.36180	0.3
216.00606	7.5
217.01390	29.3
218.02046	2.2
219.02963	10.3
225.11337	0.5
229.01431	0.6
229.08554	0.4
231.02963	8.0
231.06950	1.0
232.03487	0.8
233.04558	0.9
239.06830	1.5
239.56848	0.7
240.06587	0.4
243.12215	0.3
255.02861	0.3
281.04498	0.8
289.07135	0.4
297.07556	0.5
313.14703	0.4
323.05667	0.9
341.06622	100.0
342.06964	5.9
343.15527	1.2
365.17841	0.9
366.17792	0.3
367.10321	0.9
395.11121	0.5
399.18359	0.3
419.11322	2.1
449.14066	0.4
487.25461	0.5
511.21756	4.3
512.22021	0.5
529.15094	0.4
547.15814	6.2
547.23523	0.9
548.16492	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.1114
Annotation	Unknow
Peak:m/z	Relative Intensity
57.17950	0.2
59.01375	1.4
61.98817	0.7
66.94150	0.2
71.01384	1.3
73.02934	0.5
73.43230	0.2
74.52279	0.2
79.95734	2.8
83.01406	0.3
85.02937	2.4
87.00872	0.5
89.02444	0.8
91.50700	0.2
93.03435	1.5
96.96006	100.0
97.02940	0.2
97.95950	0.3
98.95603	0.3
99.00892	0.4
101.02439	0.5
109.02943	1.2
111.04541	0.5
113.02447	0.3
121.02961	0.5
123.04483	0.5
125.02466	0.9
127.03990	0.3
133.02904	0.2
134.03746	0.3
135.04501	1.2
137.02420	1.1
139.03978	0.2
149.02435	0.3
149.04488	0.2
151.00450	0.2
155.03453	0.4
158.90967	0.2
161.02420	1.6
164.01131	0.3
165.01906	0.8
167.03505	0.4
173.04599	1.2
173.05925	0.3
177.01959	0.5
179.03455	1.1
187.04034	0.4
187.07568	1.0
191.05595	21.1
192.05934	0.8
203.07150	0.4
228.04108	0.2
239.06755	0.4
245.04506	0.6
245.08096	0.3
257.08130	1.1
270.39590	0.2
281.04532	0.3
289.07120	1.4
290.07465	0.3
304.65775	0.2
345.37140	0.3
353.08820	0.5
355.08066	1.3
367.11835	0.6
380.38492	0.2
385.12619	0.7
414.08734	0.3
449.14481	1.0
511.25052	0.3
515.12061	0.3
529.13397	0.2
547.13757	1.6
547.21954	0.5
547.27954	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.3323
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	0.7
57.03448	2.0
59.01378	100.0
60.01710	0.9
60.90313	0.4
60.99306	1.1
61.98827	4.9
67.01884	3.4
68.99815	0.6
69.03452	1.7
71.01382	18.5
71.05054	0.6
72.84931	0.5
72.99306	0.8
73.02947	5.0
79.95766	0.6
81.03473	1.2
82.00484	0.5
83.01394	1.7
83.05027	1.5
85.02946	17.3
86.00110	0.7
87.00874	9.1
87.04537	0.5
87.60781	0.5
89.02464	3.4
93.03454	23.9
94.03802	0.6
95.01362	2.5
96.96016	2.5
97.02962	0.6
97.06622	0.6
99.00866	3.1
99.04549	0.6
101.02448	8.4
107.05045	0.5
108.02171	0.8
109.02946	1.6
111.00856	0.7
111.04531	3.8
113.02444	8.3
115.03941	0.4
119.03529	0.8
120.14462	0.4
123.04580	0.5
125.02447	2.0
127.04017	1.8
129.01891	0.5
133.02982	1.0
135.04543	1.7
137.02420	2.0
143.03465	1.8
145.00894	0.5
151.04126	0.5
154.02693	0.5
155.03482	1.4
155.04942	0.5
157.06625	0.5
158.03745	0.7
158.07364	1.6
159.02896	0.5
159.04507	1.0
161.02440	1.9
161.04527	5.6
171.03024	1.3
171.04431	0.8
172.05232	1.2
173.04561	23.2
173.06026	2.5
174.04906	0.6
174.06825	0.9
177.01857	1.1
179.03458	1.0
183.04471	0.7
185.06065	1.0
186.06900	5.3
187.03941	0.5
187.07611	3.2
189.09152	0.8
191.05598	96.7
192.05960	3.0
197.06116	0.7
199.03995	1.6
200.04733	3.7
201.05533	2.9
201.09207	2.4
209.11819	0.5
211.07587	1.0
212.08429	1.7
214.06361	3.2
215.07127	11.6
225.05684	0.7
226.02817	0.6
227.03526	2.1
228.07851	0.9
229.08682	8.6
230.09344	1.7
231.10127	0.6
233.06548	1.7
252.07788	0.6
253.04968	0.6
253.08746	1.6
255.06625	2.0
255.13919	0.9
256.07431	10.5
257.07935	1.1
274.08405	0.9
283.13226	1.1
293.25000	0.7
295.09506	0.7
297.03958	0.6
305.24762	0.9
309.14957	1.2
309.20508	0.9
311.12967	0.7
325.03430	0.6
325.14368	0.9
327.15988	1.6
341.26944	2.1
346.67633	0.5
353.13901	11.6
354.14307	1.1
371.10556	0.9
371.14816	4.4
409.31396	0.6
413.25351	1.0
437.29556	0.5
449.29492	1.5
457.33456	0.9
467.30252	3.0
485.31198	20.4
486.31403	1.9
499.34161	0.9
503.32214	16.2
504.32458	1.5
517.35358	6.2
518.36182	0.6
545.20300	17.3
545.34296	4.3
546.20837	1.5
564.82306	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.3329
Annotation	Unknow
Peak:m/z	Relative Intensity
53.44455	0.1
55.01883	0.8
57.03445	1.5
58.00603	0.4
59.01377	100.0
60.01722	0.5
60.99309	0.2
61.98839	1.2
67.01891	0.8
68.99827	0.2
69.03467	0.6
70.30116	0.1
71.01381	16.1
71.05038	0.4
71.16522	0.3
71.90720	0.1
72.99325	0.7
73.02950	4.0
75.00887	0.4
79.95714	0.3
81.03470	0.4
83.01380	2.6
83.05031	0.3
85.02951	10.5
86.00099	0.4
86.03309	0.2
87.00874	2.8
87.04504	0.2
89.02441	2.9
89.26169	0.1
93.03453	4.9
95.01386	1.8
96.96009	0.6
97.02950	1.0
97.06585	0.7
99.00880	2.4
99.04539	0.1
101.02443	9.6
101.06659	0.1
102.02741	0.2
109.02957	0.5
111.00877	0.7
111.04529	0.9
112.01640	0.2
113.02448	9.1
115.04009	0.3
119.03485	1.2
121.02973	0.2
121.10230	0.5
122.03767	0.1
124.01700	0.4
125.02427	1.2
126.88982	0.1
127.04038	0.3
128.03542	0.2
129.01941	0.4
131.03529	0.2
133.03004	0.3
135.04509	0.4
137.02440	0.4
142.02647	0.2
143.03496	1.5
149.02403	0.3
155.03505	0.5
155.04904	0.1
158.07372	0.3
159.03003	1.0
159.04483	0.4
161.02545	0.8
161.04550	5.2
163.04071	0.2
171.04486	0.2
171.13994	0.2
172.05302	0.3
173.04550	4.5
173.06038	0.4
174.06837	0.2
177.01863	0.3
179.03561	0.2
183.04512	0.3
183.13829	0.2
185.06038	0.2
186.06851	1.0
187.07611	0.8
188.08466	0.2
189.01955	0.4
189.09245	0.2
191.05606	18.1
192.05981	0.6
199.03999	0.3
200.04793	0.6
201.05569	0.4
201.09172	0.5
209.11842	0.2
211.07643	0.4
211.16919	0.2
212.08481	0.2
213.09254	0.2
213.18629	0.4
214.06349	0.9
215.07092	2.4
217.01459	0.2
225.18538	0.2
227.03453	0.6
228.08008	0.2
229.08694	1.8
230.09419	0.5
231.06776	0.2
233.06750	0.3
237.18636	0.2
251.20297	0.2
253.09134	0.2
255.06668	0.4
256.07394	3.4
257.08051	0.3
274.08447	0.4
281.24863	0.6
283.13428	0.3
293.24866	0.5
297.03253	0.2
305.24792	0.9
309.15088	0.2
311.25882	0.6
313.07239	0.2
323.25992	0.4
327.16025	0.5
341.26941	2.4
353.13834	1.2
354.95578	0.2
371.14822	1.0
372.09909	0.2
377.19833	0.2
395.24487	0.3
413.25458	0.9
425.29117	0.4
437.28818	0.3
449.29086	1.3
455.30209	0.7
467.30087	3.6
485.31165	20.2
486.31390	1.8
501.15869	0.3
503.32236	17.8
504.32379	1.3
517.35181	0.3
545.20856	2.0
545.32288	1.6
546.33911	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.2966
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	0.6
57.03432	1.3
58.00594	1.5
59.01377	13.9
59.44567	0.5
60.99290	0.5
61.98824	4.0
67.01880	1.9
69.03462	1.7
69.26151	5.4
71.01377	11.1
72.99302	1.1
73.02945	2.1
79.64560	0.5
80.61427	0.5
81.03444	0.8
83.01405	1.3
83.05057	1.0
83.17981	0.5
84.45412	0.5
85.02939	5.5
85.21771	0.5
87.00880	3.8
89.02443	9.7
93.03456	13.2
93.07115	0.6
96.96017	1.4
97.02926	0.9
97.06571	1.0
99.00875	1.0
101.02449	10.2
109.02912	0.6
109.06599	1.3
111.04523	2.1
111.08157	15.3
113.02435	5.1
119.03493	3.3
123.04542	0.8
127.07654	1.3
129.01918	0.8
133.02937	1.1
135.04544	1.1
137.02419	1.5
143.03432	0.9
151.11217	0.8
153.09215	0.9
153.12839	1.4
155.03436	1.2
159.04523	1.3
161.02438	0.8
161.04564	5.5
167.10721	0.6
169.12343	5.8
170.87886	0.5
171.10266	0.6
172.05327	1.7
173.04553	17.0
173.06026	2.1
177.01945	0.9
179.05602	1.9
181.12366	1.3
183.13853	0.8
186.06960	1.2
187.07654	5.3
188.08131	0.5
191.04276	0.7
191.05606	34.0
197.11818	74.2
198.12206	2.3
199.13361	5.0
200.04768	3.6
201.05586	4.4
201.09346	2.6
211.07668	1.2
211.13377	9.2
212.08560	0.5
215.07097	9.7
216.07753	0.5
227.12860	1.9
229.08684	11.2
230.09450	3.0
231.10115	1.1
235.08206	0.8
243.03070	0.6
243.09981	0.6
247.20596	0.6
253.09268	50.1
254.09724	1.0
255.06735	0.8
261.65433	0.6
263.20126	5.6
265.18057	1.7
291.19644	26.9
292.20056	1.0
309.20700	100.0
310.21042	5.4
327.16098	1.0
351.07056	0.7
353.13962	0.6
371.14685	0.9
448.13654	2.1
527.28125	0.6
545.20050	6.1
545.33240	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	545.2964
Annotation	Unknow
Peak:m/z	Relative Intensity
50.60868	0.3
55.01867	0.5
57.03439	1.3
58.00587	1.2
59.01375	14.4
61.98827	1.8
66.51873	0.3
67.01876	1.4
69.03448	1.6
69.26093	3.5
71.01374	9.6
72.99298	0.7
73.02943	2.6
78.14000	0.3
81.03448	0.4
83.01395	0.9
83.05023	1.0
85.02942	4.8
87.00874	3.5
89.02435	9.4
91.03994	0.3
93.03453	10.5
93.07111	0.7
95.01388	0.9
95.04988	0.5
96.96006	1.2
97.02943	0.6
97.06589	0.8
99.00883	0.4
99.04535	0.4
101.02436	10.6
109.02949	1.1
109.06583	1.3
111.04508	2.1
111.08154	14.8
112.23722	0.4
113.02438	5.5
119.03493	2.8
125.02480	0.5
127.03964	0.8
127.07660	1.0
131.03522	0.4
133.02966	0.8
135.04558	0.7
137.02492	1.7
143.03493	0.9
146.03755	0.4
147.04538	0.4
151.04070	0.5
151.11230	0.9
153.01901	0.3
153.09239	0.5
153.12854	1.2
154.02731	0.4
155.03473	0.6
155.70454	0.4
159.04524	1.6
161.02460	0.5
161.04530	5.2
161.78311	0.4
169.12318	6.1
169.43320	0.3
171.02969	0.8
171.10289	0.4
172.05254	1.0
173.04555	14.8
173.06007	2.1
174.06848	0.4
177.01923	0.7
179.03487	0.5
179.05602	1.8
179.10736	0.9
181.12349	1.7
183.04436	0.5
183.13905	1.2
185.06055	0.7
186.06873	1.5
187.04068	0.5
187.07625	3.5
189.02011	0.5
189.09166	0.7
191.05598	32.1
192.05969	1.0
193.12346	0.7
197.11809	69.7
198.12108	2.4
199.04034	0.5
199.13397	5.5
199.15121	0.7
200.04764	2.7
201.05525	3.0
201.09164	2.1
209.11755	0.6
211.07607	0.8
211.11430	0.7
211.13383	8.3
212.08319	0.4
214.06409	0.9
215.07112	12.7
223.34921	0.3
227.12885	2.0
229.08673	8.5
230.09366	2.1
231.06815	0.5
231.10075	0.7
233.06673	0.6
235.08116	0.7
253.09265	49.1
254.09602	1.2
255.06528	0.7
256.07388	1.2
257.07993	0.6
263.20129	6.4
265.18109	1.6
273.18542	1.4
291.19644	25.8
292.19977	1.2
309.20682	100.0
310.20975	4.8
327.15851	0.7
351.07227	0.6
353.13779	0.8
371.15024	0.5
404.14484	0.4
405.11920	0.5
433.20880	0.5
448.13770	1.2
513.26978	0.4
545.20325	6.1
545.33856	2.8
546.20465	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.2424
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	1.8
61.98823	3.0
67.01889	0.3
70.92307	0.1
71.01378	0.7
71.62888	0.2
73.02957	0.2
79.95737	9.1
80.96532	0.3
85.02965	0.7
86.52848	0.2
87.00880	0.4
89.02435	0.3
93.03455	1.8
93.25021	0.1
94.03776	0.4
94.16705	0.2
94.98114	0.2
95.95232	3.0
96.96012	4.3
101.02428	0.4
109.02938	0.7
110.97586	0.2
111.04503	0.4
115.20480	0.1
119.05013	0.5
121.02936	0.2
123.04504	0.3
124.00751	0.9
125.02470	0.3
131.04562	0.2
133.02968	0.2
135.04491	0.5
137.02431	0.5
141.95764	0.3
145.02956	0.3
151.00693	0.2
153.01889	0.4
155.03419	0.2
161.02431	0.6
173.04524	1.9
174.04907	0.2
177.05557	1.4
179.03346	0.2
189.01820	0.2
190.02666	0.2
191.05602	5.4
192.06036	0.3
195.04408	0.2
202.06174	0.2
205.05060	0.2
215.07010	0.2
219.06924	0.5
229.08702	0.3
251.03493	0.8
271.10123	0.2
285.04123	0.2
307.09665	0.5
309.14926	0.2
311.13339	0.2
327.15942	0.5
351.15771	0.2
353.13995	0.9
363.16669	0.2
365.17856	7.8
366.18378	0.7
371.14905	1.1
383.18933	2.6
409.09171	0.2
414.90350	0.2
425.20059	0.7
433.36142	0.2
450.14935	0.7
482.17621	0.3
488.96335	0.2
545.24225	100.0
546.24573	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	545.2422
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	0.4
58.39039	0.3
59.01373	6.8
61.98829	5.3
70.99123	0.7
71.01369	1.9
72.62642	0.4
72.99314	0.5
73.02936	0.4
79.95733	3.7
81.03446	0.9
83.01410	0.6
85.02935	3.3
85.47186	0.4
87.00887	1.3
88.98840	0.5
89.02440	0.5
89.13509	0.4
93.03444	3.1
95.01392	0.7
95.05036	0.7
95.95255	1.6
96.96008	2.5
97.02950	0.6
101.02462	0.8
107.05059	0.7
108.23600	0.4
109.02958	5.3
111.04495	0.5
112.94967	0.4
113.02487	1.3
116.65018	0.3
117.03497	0.6
119.05083	0.6
121.02953	1.5
122.03742	0.8
123.04526	4.8
124.01687	0.4
125.02461	1.4
127.03996	0.5
133.02968	1.0
135.04514	1.9
137.02448	1.1
139.04050	0.5
139.11255	0.3
145.02925	0.5
147.04462	0.4
149.02448	4.4
150.03212	0.4
151.04012	2.6
155.03488	0.5
159.04385	0.6
161.02414	3.4
161.04596	0.4
161.06087	0.6
162.03125	0.4
163.03999	2.1
165.01981	0.5
167.03503	0.7
172.05289	0.6
173.04524	2.6
173.05859	0.4
174.03120	0.5
175.03943	0.8
177.01942	1.0
179.03488	0.6
183.10254	0.8
187.04076	0.5
187.07623	4.0
188.01138	1.1
189.01926	3.6
190.02670	0.8
191.03732	1.0
191.05592	22.4
192.05913	1.0
201.05591	0.4
203.03479	0.9
203.07127	0.9
205.00656	0.4
205.05077	0.9
217.01428	1.0
219.03035	0.6
225.05635	0.5
227.07040	1.3
227.10805	0.6
229.08647	0.6
231.02878	0.6
245.08211	0.4
247.06171	1.0
251.10730	0.7
253.05280	0.4
253.08708	0.9
253.65623	0.5
254.06052	0.5
281.04529	1.4
289.07239	1.0
292.13803	0.4
295.09845	0.6
297.03946	0.8
313.07162	2.5
321.07529	0.5
327.15979	0.6
337.10770	1.1
337.14645	0.7
341.06732	2.3
349.10754	1.6
349.14777	3.3
353.13916	3.8
365.17865	54.3
366.18240	3.6
371.14981	0.6
377.10406	2.1
435.16235	0.4
456.85159	0.4
485.31152	1.6
501.15503	7.7
501.22321	0.6
502.16058	0.9
503.32220	0.8
545.14722	10.3
545.24146	100.0
546.15216	1.0
546.24561	8.1
546.32153	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.1521
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	0.5
59.01371	2.0
67.01866	0.4
69.42489	1.8
71.01393	1.5
73.02935	0.5
79.95702	0.3
81.03443	0.4
83.01372	0.3
83.04965	0.3
85.02946	10.4
87.00854	2.2
93.03458	4.8
96.75005	0.2
96.96005	11.3
99.04497	0.4
101.02462	0.5
109.02935	1.7
111.04497	1.6
111.60144	0.2
113.02462	0.3
115.44657	0.3
121.02989	0.3
125.02419	0.4
127.04005	3.1
134.03677	0.4
135.04503	2.6
137.02420	0.3
155.03513	0.4
161.02390	1.0
171.02951	0.7
173.04544	2.4
179.03384	0.3
191.05594	100.0
192.05927	3.0
193.05057	0.3
225.05394	0.3
255.08830	0.4
282.07639	0.4
289.07217	0.4
310.07065	0.6
311.07806	1.8
312.08640	3.3
325.09357	2.0
327.10968	16.6
328.11169	0.7
353.08878	7.7
371.09906	7.6
372.10526	0.4
447.25912	1.0
465.27338	0.7
545.15161	7.6
545.22827	7.5
546.15466	0.6
546.23126	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.2272
Annotation	Manumycin F
Peak:m/z	Relative Intensity
50.22526	0.3
52.61084	0.3
55.01868	0.6
57.03450	0.4
59.01374	22.0
61.98823	1.3
67.01880	0.4
71.01369	3.8
71.62386	0.6
73.02949	1.4
74.96007	0.3
79.95733	3.3
80.96524	0.4
83.01401	1.0
85.02953	4.0
87.00874	1.1
89.02438	1.0
93.03449	2.3
95.95229	0.4
96.96004	100.0
99.00869	1.1
101.02440	5.4
109.02945	1.6
111.00854	0.9
111.04524	0.6
113.02440	2.2
121.02962	1.5
123.04502	0.7
125.02433	1.1
127.03978	0.6
133.02971	0.7
134.03748	0.4
135.04527	3.1
137.02448	1.0
145.02966	0.4
146.03726	0.5
147.04526	0.6
150.03069	0.4
155.03505	0.5
159.03008	0.4
159.04584	0.4
160.04082	0.4
161.02420	1.6
161.04578	1.1
173.04535	3.6
173.05914	0.5
179.03464	1.1
189.01999	0.4
191.05597	15.0
191.07356	0.7
192.05962	0.9
227.98895	0.3
229.01447	0.4
239.06859	0.7
243.02937	0.6
243.19623	0.6
266.05832	1.0
267.06445	0.7
277.05078	0.4
283.09897	0.6
289.07056	0.6
294.05185	0.5
309.07831	0.3
327.11462	2.1
353.06277	4.1
371.10181	0.9
405.25085	0.8
447.25912	2.0
465.26959	10.4
466.27060	0.6
483.22681	3.1
485.20862	2.9
545.22668	89.0
546.23175	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	545.1522
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	1.1
59.01371	2.3
60.62825	0.5
60.99300	1.2
66.82644	0.5
67.01877	4.1
69.03437	0.9
69.60301	3.3
71.01372	2.9
80.96516	0.6
81.03461	0.9
83.02533	1.1
83.05012	1.4
85.02942	6.8
87.00864	11.8
87.05643	0.7
93.03455	34.0
94.03762	0.9
96.95996	1.8
99.00869	0.8
109.02932	1.6
111.04516	6.9
125.02365	0.6
127.03998	1.5
129.01953	1.4
134.02466	1.1
135.04515	2.3
137.02425	1.0
140.04639	1.0
151.05095	0.7
155.03534	2.8
161.02425	2.4
171.03204	2.2
172.04018	1.0
172.39998	0.5
173.04533	23.2
179.03625	0.9
180.04102	0.6
186.05582	1.7
187.07712	0.7
189.06723	1.2
191.05600	53.7
192.05916	1.9
197.04869	0.8
198.04257	9.4
199.04880	0.9
200.03462	1.2
201.06677	1.3
211.05106	1.7
212.05907	4.1
213.06686	18.4
227.06068	1.1
227.08212	5.6
228.05382	1.8
229.02469	1.7
230.05623	1.1
239.04552	0.9
243.07709	1.1
244.07289	1.3
254.05711	1.9
255.06494	4.3
257.05658	16.2
258.08844	0.8
260.06702	1.7
270.08823	14.5
272.06723	0.7
296.06732	1.0
297.07471	1.2
311.07944	0.9
312.08640	0.8
327.10989	6.4
351.82162	0.6
371.09927	25.2
372.10205	1.0
407.69995	0.6
464.10617	0.8
500.45789	0.6
527.18286	0.9
545.15173	100.0
546.15460	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	545.1523
Annotation	Unknow
Peak:m/z	Relative Intensity
55.68561	0.3
59.01376	0.5
66.83212	0.3
69.26115	2.1
69.26529	0.6
71.01375	0.6
72.99265	0.3
80.96509	2.4
85.02943	3.1
87.00865	0.6
93.03472	1.8
94.98074	0.4
96.95993	0.6
109.02950	2.5
111.04491	0.9
121.02927	1.6
125.02386	0.4
127.04000	1.1
135.04514	22.8
136.04860	0.4
137.02473	0.3
139.17516	0.3
140.95238	0.3
144.19234	0.3
154.06155	0.5
155.03508	0.7
160.04019	0.5
165.01913	1.4
170.64630	0.3
173.04576	1.8
177.04330	0.4
178.05017	0.6
179.05710	0.7
188.61864	0.3
190.04877	0.4
191.05589	23.6
192.06085	0.8
193.07339	1.7
195.02921	0.3
205.07227	1.5
217.07207	0.4
224.05458	0.4
225.00671	1.1
238.06200	1.1
240.04184	1.1
241.07309	0.7
252.07852	0.3
255.08868	3.8
256.09558	2.1
267.08887	0.5
269.06775	1.7
273.49094	0.3
283.08401	1.2
284.09058	1.8
286.07034	1.0
295.08334	1.0
297.06192	1.1
311.04117	0.5
311.07825	15.1
312.08585	24.5
313.08932	1.3
325.09460	0.9
327.10944	100.0
328.11267	5.9
353.08862	2.4
371.09924	13.5
372.10181	0.4
385.89447	0.3
401.61319	0.3
501.16824	0.6
545.15485	5.6
546.16486	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.1518
Annotation	Unknow
Peak:m/z	Relative Intensity
51.42385	0.5
59.01346	0.8
69.03429	0.6
69.34336	4.7
71.01368	1.3
79.95741	1.8
80.96510	7.3
85.02969	2.9
87.00825	0.8
93.03440	3.2
94.98071	1.5
95.95256	0.6
96.96005	1.9
109.02946	3.6
111.04485	1.1
127.03963	0.8
134.97592	1.0
135.04514	19.7
137.02426	1.4
145.47697	0.5
146.04594	1.5
151.50879	0.6
151.87802	0.6
155.03477	1.2
161.02423	1.0
163.03937	0.7
164.98610	1.2
173.04532	7.4
179.03467	1.0
179.05774	0.8
187.07535	0.6
191.05597	21.5
192.06122	0.9
193.07329	1.3
205.07364	1.5
218.07983	0.6
225.00748	2.4
238.06079	1.2
240.04199	0.6
247.06537	3.9
247.56451	0.9
255.08861	4.3
256.09671	2.8
267.08789	1.1
269.06830	1.6
278.93774	0.5
283.08438	1.9
284.09024	2.6
286.07050	1.1
295.08301	1.0
297.06259	1.3
311.07834	22.8
312.08597	32.6
313.08835	1.9
322.62988	0.6
327.10938	100.0
328.11295	4.9
353.08932	1.6
354.07132	0.9
371.09912	55.1
372.10333	3.3
415.17834	2.7
416.18149	2.3
493.97403	0.6
494.05731	0.6
501.16299	2.5
545.19690	14.5
546.18884	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.1507
Annotation	Unknow
Peak:m/z	Relative Intensity
52.14861	0.3
57.03442	0.6
59.01376	1.0
67.01872	0.4
68.84917	0.2
70.66727	0.6
71.01385	0.6
72.41370	0.2
73.02961	0.3
77.23461	0.3
85.02943	7.8
87.00884	1.7
93.03458	3.4
109.02931	0.6
111.00864	1.0
111.04503	0.9
127.04012	2.1
129.70383	0.3
133.02921	0.5
135.04543	2.4
137.02441	0.3
147.02991	0.3
161.02414	1.1
171.03029	0.5
173.04521	4.0
179.03484	2.5
179.75342	0.3
191.05594	100.0
192.05952	2.1
353.08740	15.4
354.09055	0.7
461.20407	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.152
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	0.3
59.01374	1.8
60.99299	0.2
62.14602	0.1
62.23373	0.2
67.01882	0.5
68.80259	0.2
69.03446	0.4
70.62370	0.5
71.01375	1.2
73.02943	0.5
79.95751	0.2
80.96527	1.6
81.03465	0.4
83.01398	0.2
83.05025	0.5
85.02949	11.6
86.03291	0.2
87.00873	2.2
93.03458	4.3
94.98093	0.2
95.01400	0.2
96.96010	0.5
97.02948	0.2
98.20007	0.2
99.04501	0.4
101.02447	0.3
109.02956	1.7
111.04516	1.3
113.02448	0.2
125.02515	0.2
127.04015	2.4
135.04520	2.3
137.02449	0.4
143.03468	0.2
145.06163	0.5
148.99063	0.2
155.03563	0.2
171.03011	0.7
173.04541	1.8
177.02057	0.2
191.05595	100.0
192.05954	2.4
225.00754	0.6
255.08894	0.6
256.09521	0.3
282.07486	0.3
284.09250	0.3
295.08252	0.2
309.09714	0.2
310.07037	0.8
311.07791	2.6
312.08621	3.9
313.08795	0.2
325.09412	2.0
327.10950	18.6
328.11240	1.0
353.08899	6.9
354.09195	0.4
371.09924	8.6
372.10196	0.5
383.20636	0.7
419.61484	0.2
501.16388	0.7
545.15582	7.0
546.15668	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.1505
Annotation	Unknow
Peak:m/z	Relative Intensity
56.44011	0.2
57.03449	0.2
59.01374	0.8
67.01871	0.4
71.01375	0.8
71.35677	0.4
71.48850	0.2
72.32549	0.2
73.02959	0.3
76.11849	0.2
79.43769	0.2
81.03468	0.3
83.05034	0.2
85.02946	6.0
87.00888	1.8
93.03457	2.8
99.04491	0.3
109.02940	0.7
111.00876	0.9
111.04500	1.1
127.03983	1.8
133.02931	0.3
135.04524	2.1
137.02460	0.4
161.02426	1.3
171.02930	0.5
173.04539	3.1
179.03561	2.0
191.05594	100.0
192.05939	1.9
210.25536	0.2
220.64359	0.2
353.08731	14.7
354.09097	0.7
390.75580	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.115
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01364	1.1
65.04874	0.4
69.46535	3.4
71.01389	0.7
71.47404	0.4
81.17031	0.4
85.02945	6.9
87.00861	1.1
93.03420	2.4
95.34951	0.5
98.20641	0.9
99.00822	0.5
100.58968	0.5
109.02931	0.7
111.04511	1.0
120.33010	0.4
122.20293	0.4
124.69024	0.4
127.03992	1.9
133.02887	0.4
135.04506	1.5
135.05522	0.4
161.02412	1.0
173.04529	1.8
179.03554	0.9
191.05594	100.0
192.05981	2.1
203.02039	0.5
233.80763	0.5
241.92763	0.5
353.08722	15.6
354.08777	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.145
Annotation	Unknow
Peak:m/z	Relative Intensity
52.05288	1.1
57.03446	2.4
59.01096	1.3
59.01377	20.4
61.98831	5.4
62.79070	0.9
64.89504	0.8
65.00328	1.2
67.01892	3.0
67.43562	0.9
69.03447	2.0
69.42673	5.2
69.43080	1.9
71.01380	7.8
73.02924	1.6
73.87057	0.9
79.95730	1.1
80.96532	1.0
81.03458	1.9
82.91434	1.0
83.01394	4.6
83.05019	1.6
85.02944	11.7
87.00861	6.4
87.04501	2.0
89.02431	2.6
93.03453	20.5
95.01400	2.4
95.05031	4.1
96.96003	6.0
97.02923	2.8
99.00884	2.0
99.04499	1.3
101.02428	3.7
105.03440	3.1
107.01374	2.0
107.05012	3.9
108.02152	2.4
109.02942	37.0
111.04504	3.8
113.02471	1.3
117.03465	5.4
119.05041	4.6
121.02942	8.4
122.03766	1.8
123.04523	30.9
125.02470	7.6
127.04007	1.6
128.03587	1.2
133.02956	3.7
135.04506	7.5
137.02425	6.6
139.03986	3.1
140.45847	0.9
145.02942	4.9
147.04514	1.3
149.02434	42.9
150.03125	3.1
151.03998	22.6
155.03506	1.6
158.03725	1.5
159.04498	3.6
160.05167	0.9
161.02441	29.3
161.06050	4.2
161.40311	1.1
162.03232	2.4
163.00323	1.1
163.04016	15.8
164.04700	1.7
165.01933	1.8
172.05286	6.7
173.04576	18.5
173.05991	2.0
174.03224	1.3
175.03960	3.6
177.01920	4.6
177.05487	1.3
178.02756	1.0
179.03470	3.0
181.12300	1.7
183.04410	1.3
185.06065	2.6
186.03244	1.2
186.06851	3.1
187.04100	5.4
187.07639	53.9
188.01135	9.2
188.04752	2.2
188.07971	2.7
189.01918	35.3
190.02647	3.9
191.03615	5.9
191.05600	100.0
192.05974	4.0
197.06047	1.5
199.03862	1.6
200.04834	2.7
201.05579	3.7
201.11298	1.1
203.03458	8.1
203.07088	3.7
205.05078	7.8
207.10260	1.6
209.05952	2.0
209.09824	1.8
209.11806	2.6
211.03975	2.0
211.07581	4.8
212.08351	1.4
213.05449	1.3
214.06308	1.9
215.07045	4.4
217.01387	2.4
225.05557	2.5
225.09299	1.5
225.11267	2.9
226.06310	1.7
227.03394	3.0
227.07138	13.3
227.10693	7.0
229.05130	2.0
229.08704	7.2
231.02992	2.4
231.06937	3.1
231.57129	1.3
237.05627	1.2
237.09248	1.2
243.12512	1.0
245.08119	2.4
247.06015	7.4
251.10765	7.1
253.08809	4.4
255.06586	1.1
256.07431	6.6
267.06567	1.1
267.10263	1.6
269.08167	2.7
270.08389	1.1
271.05887	1.0
273.03906	4.8
283.13318	1.5
289.07169	11.5
295.06406	1.8
295.09717	6.5
295.12888	0.9
309.14929	2.3
309.20703	2.6
313.07150	34.9
314.07510	1.1
315.08817	1.9
327.15927	2.3
337.10873	1.9
341.06610	15.7
342.07104	1.2
349.10699	4.2
353.13879	13.9
371.14880	4.3
377.10254	3.9
379.11667	2.0
391.11530	1.2
415.15570	1.6
439.15408	1.5
457.16476	4.1
483.14209	1.8
485.31027	2.9
501.15530	72.8
501.27383	2.6
502.15930	5.9
509.25906	1.7
527.13165	6.5
545.13910	28.2
545.21234	6.0
546.14838	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	544.276
Annotation	Unknow
Peak:m/z	Relative Intensity
53.89166	0.1
57.03453	0.1
59.01378	1.5
60.01730	0.2
61.98827	100.0
67.01914	0.3
71.01389	0.7
73.02959	0.2
85.02953	0.9
87.00364	0.1
87.00901	0.5
89.02470	0.3
93.03455	1.7
93.04005	0.2
94.83060	0.1
96.96018	0.4
97.68436	0.1
98.19875	0.4
101.02460	0.5
109.02939	0.2
111.08173	0.2
113.02438	0.3
120.23347	0.1
137.02464	0.3
173.04543	2.4
173.05992	0.3
174.05115	0.2
186.06856	0.3
187.07675	0.3
191.05598	6.0
197.11797	1.0
200.04715	0.3
201.05608	0.3
201.09280	0.3
209.11853	0.2
211.13530	0.2
215.07106	0.7
227.03384	0.2
229.08676	1.0
229.59772	0.2
230.09552	0.2
253.09300	1.1
256.07452	0.6
274.08716	0.2
291.19611	1.1
295.02701	0.2
296.03094	0.2
309.20706	2.5
319.22943	0.2
320.23230	0.5
321.23505	0.2
322.23743	0.2
353.14124	0.4
371.14890	0.2
544.13568	0.4
544.31555	0.3
545.19824	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	544.2759
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	2.4
61.98827	100.0
67.01878	0.4
68.16786	0.2
69.03429	0.3
71.01364	1.2
71.31382	0.2
73.02946	0.3
79.95768	0.5
83.05020	0.3
85.02945	1.6
87.00861	0.8
89.02445	0.6
93.03457	3.1
96.96009	1.4
97.02964	0.7
101.02432	0.7
109.02958	0.6
111.04537	0.6
113.02441	0.4
118.59001	0.3
125.09740	0.3
127.03983	0.4
128.03522	0.4
133.02943	0.3
137.02425	0.5
158.07500	0.3
159.04500	0.3
161.02339	0.3
161.04610	0.4
165.12845	0.4
171.10289	0.6
173.04558	3.8
173.05994	0.6
186.06839	0.5
187.07639	0.8
191.05597	13.2
197.11781	0.9
200.04797	0.6
201.05556	0.4
201.09241	0.5
211.13452	0.4
212.08411	0.4
214.06343	0.4
215.07092	2.3
227.03551	0.5
227.12897	0.6
229.08661	1.7
230.09419	0.3
247.20695	0.4
253.09247	2.1
256.07385	2.0
267.14383	0.3
291.19669	2.9
309.20670	7.7
321.23352	0.3
327.16483	0.3
353.13968	0.9
371.15222	0.4
448.13660	0.6
453.16016	0.2
544.13336	0.3
544.30457	2.6
545.20856	1.5
545.24103	1.5
545.32477	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	544.167
Annotation	Unknow
Peak:m/z	Relative Intensity
54.83372	0.8
56.55920	0.7
57.03437	1.0
59.01376	10.7
60.99314	1.5
61.98828	100.0
67.01888	5.3
67.94569	0.8
69.03456	1.4
69.73670	3.8
71.01386	3.5
73.02932	1.4
79.95733	0.9
80.96497	0.9
81.03478	1.2
83.05032	0.8
84.21823	0.7
85.02942	4.2
87.00863	6.4
89.02410	0.8
93.03453	35.4
96.62017	0.6
96.96017	5.2
97.06618	1.1
98.20649	1.1
99.00864	0.8
101.02419	1.7
109.02952	2.4
111.00928	0.8
111.04510	6.0
113.02453	1.7
114.02029	0.7
118.48246	0.6
119.40731	0.8
123.04506	1.0
125.02449	2.1
127.04004	1.0
133.02962	2.1
134.03720	6.4
135.04538	7.2
137.02455	2.4
150.03252	2.0
151.03830	0.8
155.03506	1.8
159.04509	0.7
161.02437	4.5
162.81375	0.6
163.00249	0.7
173.04541	24.4
173.06023	1.3
175.03992	1.2
177.01979	1.2
178.02724	1.2
179.03384	3.5
189.01999	0.8
191.05591	35.2
192.06003	1.8
193.05054	1.1
213.05600	0.8
215.07274	0.9
217.01451	1.0
239.06738	2.4
240.56503	0.7
243.02946	1.0
243.06625	1.8
294.39005	0.8
307.12067	0.8
313.84641	0.7
344.04791	1.0
353.08566	1.1
353.14099	1.4
399.18524	1.2
434.08701	1.1
449.14502	4.4
481.17081	27.8
482.17493	1.3
484.30118	1.0
544.21350	5.5
545.13586	0.9
545.20923	1.3
559.47943	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.3527
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01370	6.3
61.98827	24.3
69.74186	9.8
76.95934	1.5
80.96500	1.8
81.09198	1.5
168.24091	1.5
192.65381	1.4
277.21643	3.6
391.29892	2.0
407.33029	3.6
420.04684	1.7
453.33572	7.5
455.35211	20.3
456.35403	3.9
497.36340	100.0
498.36542	9.6
541.33545	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	542.0937
Annotation	Unknow
Peak:m/z	Relative Intensity
57.86377	0.5
59.01105	0.8
59.01382	14.9
61.98830	12.6
70.86696	0.5
71.01376	7.9
72.99328	0.7
73.02953	0.8
75.00854	0.6
78.95902	0.8
79.95736	1.3
80.96519	5.1
83.01405	0.7
85.02962	2.9
87.00875	1.3
89.02435	10.6
90.02755	0.6
93.03455	2.5
94.02982	7.8
94.98087	1.5
95.01392	1.3
96.96013	4.7
101.02453	4.6
107.01360	0.8
109.02944	3.2
110.06091	1.3
113.02432	3.0
119.03493	5.1
125.02441	1.7
125.18404	0.6
131.03516	1.1
133.02986	0.9
135.04498	2.2
137.02469	1.9
138.01935	2.5
138.05579	0.5
143.03459	1.1
147.71187	0.5
147.96548	0.5
149.81787	0.6
150.76701	0.5
151.00375	3.2
151.04065	0.7
161.02414	2.4
161.04544	1.1
163.00356	0.7
163.04108	0.6
164.98596	1.1
167.03456	0.6
173.04517	1.3
173.05988	0.8
177.01906	0.8
179.03525	1.0
179.05591	6.2
180.05942	0.8
187.03975	1.1
189.02031	0.8
191.05600	9.1
196.00742	0.8
203.03709	0.5
213.02008	0.6
214.02501	0.7
215.03468	2.3
225.00726	1.3
227.03497	2.0
229.05109	0.8
230.02103	0.9
243.02921	2.1
255.02914	1.2
258.01657	39.8
259.02405	14.9
269.04315	0.6
271.02460	25.8
272.03195	13.0
273.04013	18.4
274.04291	0.9
283.02307	1.5
285.03995	8.5
293.09164	0.9
297.04248	0.9
298.00983	0.8
299.02020	1.1
301.03513	100.0
302.03836	5.1
304.02191	2.4
305.02570	0.6
311.02011	0.9
313.03503	9.2
315.05124	0.8
329.02777	0.8
331.04559	49.3
332.04852	3.0
343.04568	3.1
365.60806	0.7
367.04489	1.5
369.06030	0.8
374.60995	0.5
385.05536	5.0
387.60104	1.0
403.06689	7.4
403.61594	1.2
436.12949	1.1
447.62189	2.0
448.12225	0.9
466.13773	1.8
466.63846	0.8
480.21191	0.7
481.24396	1.4
482.24646	1.5
524.08087	1.3
524.20313	1.3
526.15686	2.8
542.09357	46.5
542.16559	2.8
543.09644	4.8
543.17633	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	543.1017
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01361	0.3
59.36752	0.1
61.98824	0.2
69.38612	0.5
69.39040	0.8
71.01382	0.3
78.95902	3.9
79.95733	3.0
80.96526	0.2
85.02920	0.2
87.00883	1.0
96.96005	100.0
96.96901	6.7
97.95953	0.2
135.04491	0.2
147.02983	0.3
173.04526	0.3
191.05592	1.2
240.43933	0.2
283.02518	0.2
284.02811	0.2
286.04327	0.2
481.23386	0.2
513.15363	0.2
543.17883	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.3307
Annotation	Unknow
Peak:m/z	Relative Intensity
53.70166	2.6
57.03421	2.5
59.01377	100.0
60.01701	3.0
61.98827	26.5
69.03445	4.0
71.01369	29.2
71.62532	4.7
73.02941	9.8
77.07214	3.0
79.95739	3.5
80.91663	9.5
82.95394	13.4
83.01391	5.2
85.02931	17.9
87.00861	4.1
89.02438	15.0
93.03461	20.9
95.01350	3.2
96.95982	15.7
101.02459	17.0
109.02926	6.2
111.04475	6.4
113.02465	14.2
119.03458	4.6
121.02940	61.4
122.03270	3.3
125.02432	6.1
135.04514	5.4
137.02435	10.5
138.02821	2.5
143.03403	3.4
149.02357	3.7
150.03146	6.0
159.04507	3.0
161.02376	10.1
161.04504	7.7
173.04509	17.2
178.99963	2.8
189.01837	3.9
191.05600	61.7
197.11748	3.6
201.11301	4.9
209.11790	5.0
217.01361	4.9
219.02988	3.5
258.01642	5.7
259.02267	3.2
260.02325	3.3
261.04041	21.1
262.04425	3.0
273.03638	6.0
275.04559	2.9
289.07095	2.8
295.02472	14.5
301.03500	14.4
302.03827	13.7
303.04099	21.7
331.04346	7.5
332.04984	6.4
333.05154	7.6
341.43512	2.7
404.06763	2.9
405.07257	4.5
483.22778	5.2
483.28992	16.9
501.30481	8.4
507.35577	6.2
543.12781	18.8
543.25366	4.5
543.33710	61.3
544.33527	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	543.3319
Annotation	Unknow
Peak:m/z	Relative Intensity
53.07301	0.2
59.01375	100.0
60.01711	0.7
61.98833	0.5
71.09018	0.4
117.03479	0.4
119.05061	0.3
145.02914	1.5
163.04126	0.3
191.05695	0.3
236.37663	0.2
264.49811	0.2
409.52600	0.3
413.23730	0.3
485.32944	0.5
505.28403	1.0
524.80994	0.3
543.34259	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	541.2684
Annotation	Unknow
Peak:m/z	Relative Intensity
54.46498	0.5
59.01353	1.2
61.98820	2.7
63.96231	0.9
71.01375	6.6
71.09612	1.1
73.02935	2.2
78.95910	0.6
78.98593	5.4
79.95738	7.5
80.96511	57.9
81.03469	0.8
85.02940	2.4
87.00877	2.5
94.98081	14.5
96.95963	0.9
97.02938	1.4
99.00861	1.0
101.02435	2.0
101.64428	0.6
106.98069	3.6
122.97541	3.0
125.02454	2.9
127.04015	0.9
134.97588	3.9
136.99133	1.6
138.48116	0.6
148.99112	6.0
152.98607	4.4
153.28468	0.6
164.98598	11.0
182.64720	0.6
185.76245	0.6
206.99606	2.0
225.00714	15.7
241.21700	2.0
299.04379	3.0
410.94116	0.7
500.65182	0.7
541.26819	100.0
542.27045	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	541.3013
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	0.4
57.72614	0.3
59.01095	0.5
59.01377	8.8
61.98831	4.0
71.01376	1.6
71.05004	0.3
73.02941	0.7
78.95879	0.3
84.40749	0.3
85.02934	1.2
88.70134	0.3
89.02428	1.0
93.03461	0.5
96.95995	0.8
98.19857	0.8
101.02448	2.0
110.48914	0.3
113.02432	0.9
119.03481	1.2
125.02473	0.3
143.82706	0.3
148.44141	0.3
161.02559	0.4
161.04532	0.3
191.05542	1.7
197.11835	0.5
209.11926	0.4
243.17586	0.3
253.09328	0.9
287.16431	1.5
301.03677	0.4
305.17563	3.0
319.22745	100.0
320.23050	5.2
331.04611	0.4
481.27588	2.6
499.28775	0.6
541.30560	5.4
542.31427	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.3014
Annotation	Salvigreside C
Peak:m/z	Relative Intensity
59.01377	34.7
60.01707	0.4
61.98825	1.6
71.01389	1.1
73.02956	0.3
85.02945	0.4
85.75078	0.2
89.02438	0.3
93.03471	0.4
96.05286	0.3
101.02446	1.6
110.87379	0.2
113.02447	0.5
119.03511	0.6
161.04482	0.3
167.97849	0.2
173.04565	0.4
191.05611	0.5
194.17439	0.2
221.06665	0.3
229.60847	0.3
254.43745	0.2
287.16452	0.4
305.17569	0.8
319.22745	100.0
320.23083	5.5
481.27951	3.9
482.28174	0.6
541.30237	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.3149
Annotation	Milbemycin A4
Peak:m/z	Relative Intensity
57.03426	2.7
59.01377	35.2
61.98822	12.1
71.01385	9.7
73.02939	3.3
77.70806	1.7
78.95921	3.9
85.02940	7.3
87.00859	3.1
88.98799	2.1
89.02443	6.5
93.03464	17.2
95.01388	2.2
96.96008	7.8
99.00885	2.6
101.02447	5.8
109.02975	3.8
110.25999	2.2
111.04517	3.5
113.02431	6.6
121.02942	3.7
125.02451	3.8
135.04494	3.4
137.02431	47.6
138.02798	2.6
151.03992	2.1
161.02480	4.4
161.04509	2.6
173.04558	5.2
191.05617	13.9
192.05949	2.0
255.06613	9.7
258.01682	7.5
259.02200	2.6
271.02390	6.8
272.03348	6.1
273.04037	2.8
297.07422	3.5
301.03445	22.7
331.04526	12.4
385.05710	2.7
403.06433	2.5
427.07440	2.0
431.60220	2.1
480.65308	2.6
497.95605	2.6
505.33719	22.4
541.09546	4.8
541.31409	100.0
542.31897	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	541.3152
Annotation	Unknow
Peak:m/z	Relative Intensity
56.24436	2.1
59.01379	38.1
61.98830	13.1
69.67470	5.8
69.67881	7.4
71.01386	14.1
72.99285	2.0
73.02932	4.4
78.95908	3.1
85.02954	6.1
87.00868	2.4
89.02457	3.4
93.03459	19.5
95.01443	2.4
96.95992	11.4
99.00885	2.1
101.02460	5.8
109.02942	1.9
113.02451	5.1
113.07151	1.9
119.03490	3.4
121.02934	3.5
135.04546	2.3
137.02440	52.0
138.02786	2.4
161.04538	3.1
173.04591	5.4
189.12575	2.1
191.05646	11.4
203.05630	1.9
231.06967	3.2
255.06541	4.7
258.01691	6.9
259.02539	4.3
271.02475	7.2
272.03180	5.6
273.03928	4.7
275.32803	2.1
285.03909	2.9
301.03522	32.8
305.17584	3.0
331.04504	14.6
385.05475	2.2
481.27829	4.3
505.33847	26.7
541.10211	7.8
541.22876	4.8
541.31427	100.0
542.31915	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	541.3237
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03457	0.2
59.01378	2.6
60.99305	14.3
61.98820	0.7
71.01383	1.9
72.99309	0.5
73.02930	0.3
78.95913	0.5
78.98578	0.6
79.95741	1.0
80.96516	7.0
83.01393	0.2
85.02956	0.7
87.00894	0.6
88.00400	0.8
88.98804	100.0
89.02429	3.3
89.99140	0.6
93.03465	1.1
94.98096	1.5
96.95997	2.6
96.96994	0.2
97.02925	0.2
99.04557	0.2
101.02450	0.9
102.85635	0.2
106.98058	0.2
108.02164	0.3
109.02956	1.6
113.02421	0.4
119.03540	0.3
119.05019	0.5
120.58546	0.2
122.97575	0.4
123.04507	0.5
125.02439	0.7
133.02942	0.3
134.97589	0.5
135.04514	0.6
137.02480	0.4
145.03012	0.2
147.04485	0.3
148.99081	0.7
150.03191	0.2
151.03951	0.5
152.98598	0.5
153.01961	0.2
161.02460	1.2
161.04547	0.3
163.03961	0.8
164.98607	1.3
165.05553	0.2
166.02782	0.2
173.04538	0.4
177.01958	1.2
179.03445	0.5
179.10657	0.2
189.01917	2.7
190.02684	0.5
191.03651	0.5
191.05588	2.5
192.05801	0.3
197.11801	1.1
203.03349	0.3
209.55203	0.2
216.00648	0.5
217.01399	2.0
219.03058	1.1
225.00717	2.5
225.11281	0.2
231.02917	0.8
239.05675	0.2
252.04984	0.3
258.01587	0.3
271.02322	0.5
272.03543	0.3
273.03836	0.2
297.07788	0.2
299.04440	0.3
301.03461	1.3
319.19067	0.4
331.04794	0.2
341.06631	6.5
342.06970	0.5
354.65204	0.2
451.10275	6.1
452.10638	0.9
493.05872	0.2
540.67432	0.2
541.15820	13.4
541.22369	1.2
542.16595	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	541.0985
Annotation	Muraxanthone
Peak:m/z	Relative Intensity
52.49221	0.3
59.01381	3.5
61.98811	0.5
69.43924	0.9
69.44353	1.4
71.01374	0.7
76.02525	0.3
76.76775	0.4
85.02968	0.6
89.02435	0.4
93.03457	15.8
95.01383	0.5
101.02462	0.4
107.01366	0.4
107.88778	0.3
108.02211	0.5
109.02945	1.9
113.02453	0.5
114.06402	0.3
115.05482	0.4
121.03008	0.3
123.00897	0.6
123.83741	0.3
125.02432	1.1
133.02931	0.3
135.00890	0.3
137.02440	13.0
138.02719	0.4
149.02461	0.4
151.00366	4.1
151.03986	0.4
159.04454	0.3
161.02449	0.8
161.56451	0.3
163.00372	0.3
171.04509	0.3
173.06110	0.4
174.03230	0.3
179.03496	0.3
187.03967	0.4
191.05597	1.0
192.00854	0.3
199.03990	0.7
202.02765	0.3
203.03447	0.4
211.03946	0.5
213.01976	0.3
214.02690	0.6
215.03528	0.8
227.03438	1.4
229.01572	0.4
229.05049	1.6
230.02174	0.8
231.02908	0.4
231.61392	0.3
241.05020	0.4
242.46811	0.3
243.02986	1.1
255.02975	0.4
256.03693	0.4
257.04620	0.5
258.01654	28.0
259.02414	9.1
260.02704	0.4
271.02448	18.2
272.03195	8.0
273.04013	19.8
274.04471	0.7
283.02414	1.9
285.04028	5.8
295.02579	0.5
298.01239	0.4
299.01971	1.2
301.03506	100.0
302.03824	4.2
304.02255	2.1
311.02039	0.6
313.03522	7.0
325.03464	0.5
329.03018	1.0
331.04550	45.3
332.04810	2.1
336.22629	0.4
343.04541	1.8
361.05701	0.9
367.04532	0.8
385.05685	3.8
403.06686	13.0
404.07037	0.8
421.07739	0.5
481.27805	0.5
523.08850	0.4
541.09808	14.2
542.10236	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.1477
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	0.9
59.01374	21.5
61.98839	4.5
71.01376	6.6
72.99293	1.1
73.02943	2.3
75.00867	0.6
78.95894	7.7
79.95717	0.7
80.91666	1.5
83.01379	1.3
85.02946	3.3
88.98819	1.0
89.02411	3.9
93.03455	16.1
95.01322	0.7
96.95993	3.1
96.96957	1.2
101.02433	4.7
108.02177	0.9
109.02927	3.2
113.02462	4.1
119.03500	1.8
121.02952	27.7
125.02431	2.3
135.04559	0.9
137.02437	13.8
151.00359	4.9
152.99496	1.3
155.03441	0.8
161.02426	2.3
161.04581	1.0
165.85571	0.8
171.00627	1.1
173.04497	2.7
177.01831	0.8
179.05635	1.2
189.05409	0.7
191.05609	5.6
199.03886	0.7
201.05579	1.1
212.72296	0.7
215.03476	1.2
227.03430	2.6
243.02934	1.1
258.01669	28.5
259.02411	9.4
268.04221	0.7
271.02457	17.9
272.03217	9.1
273.04013	19.0
283.02386	2.9
285.04047	6.9
297.03824	0.8
299.01917	1.1
301.03506	100.0
302.03870	5.4
304.02103	2.5
313.03479	7.0
329.02948	1.2
331.04556	45.7
332.04883	2.3
343.04507	1.9
367.04675	0.8
376.41068	0.8
385.05643	3.7
403.06650	14.9
421.07599	1.0
481.28183	1.8
499.28952	2.5
534.96649	0.8
540.29883	1.6
541.09198	12.0
541.30457	3.0
542.09808	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	541.1519
Annotation	Unknow
Peak:m/z	Relative Intensity
53.84962	0.5
59.01367	1.0
60.56380	0.5
61.56524	0.5
61.98827	100.0
69.72371	2.1
69.72791	1.3
71.01392	1.1
75.15076	0.5
87.00871	0.8
89.02464	1.5
98.19900	0.6
101.02471	0.6
119.03431	0.6
134.22427	0.5
159.23299	0.5
163.78285	0.5
164.98996	0.5
170.49260	0.5
179.05653	1.4
199.03535	5.3
245.34892	0.6
301.82977	0.6
306.34296	0.5
379.08301	0.6
380.69693	0.6
404.10681	2.0
503.16040	3.9
505.16595	0.6
541.13599	2.4
545.13007	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.1923
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00580	4.3
59.01376	97.0
61.98829	6.0
69.27697	7.9
69.28133	8.6
71.01375	62.4
72.99309	5.8
73.02950	2.1
74.02454	3.4
83.01381	2.3
83.06623	1.8
85.02950	13.4
87.00881	7.7
88.98823	2.0
89.02438	100.0
93.03441	6.6
95.01382	3.1
96.95997	4.0
99.00853	2.7
101.02437	34.0
105.26791	1.7
109.02963	6.6
113.02437	24.5
119.03488	39.5
121.02954	1.9
123.04537	2.4
125.02446	5.0
131.03464	4.8
135.04507	3.7
137.02420	2.5
143.03485	10.7
143.04605	5.8
149.04552	3.9
150.03215	6.3
151.03835	2.1
153.01915	7.6
161.02467	4.3
161.04539	15.5
165.05519	11.2
166.05869	5.0
173.04504	5.9
177.03371	15.9
179.05589	61.7
183.02960	2.6
185.06161	2.1
191.05608	25.1
213.05637	12.7
223.03908	2.4
224.04619	2.9
225.05507	2.0
240.04283	6.0
240.07603	4.8
241.05032	57.6
242.05466	3.4
255.06581	22.3
256.07385	37.9
270.09003	15.6
271.09726	62.7
271.12616	3.8
272.10104	2.8
301.10858	16.3
317.03101	3.3
481.22562	3.7
497.23349	3.5
505.15601	2.2
541.15131	3.1
541.22015	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	541.265
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03438	2.0
58.00584	3.0
59.01376	100.0
61.98827	2.7
63.07603	0.9
69.03452	1.1
71.01382	58.4
72.99310	4.4
73.02936	3.4
73.85252	0.9
75.93881	0.8
83.01373	2.1
83.05013	1.6
85.02954	11.7
87.00866	13.7
89.02441	91.0
93.03452	2.5
95.01386	4.5
96.96004	19.3
98.20621	2.5
99.00871	1.4
101.02440	37.1
107.47157	0.9
111.00854	1.9
113.01693	1.8
113.02442	26.5
119.03493	42.2
129.88745	0.8
131.03479	4.9
133.02911	1.0
134.40627	0.9
135.04510	1.4
137.02412	2.3
138.19266	0.8
141.01924	2.2
143.03503	11.1
149.04547	3.7
159.02936	2.1
161.02441	2.6
161.04547	15.9
173.04471	1.7
179.05597	61.8
180.05939	1.2
191.05605	7.2
225.00705	1.9
258.01602	4.2
259.02408	1.5
271.02441	2.2
271.44791	1.0
273.18451	1.5
275.20233	1.6
285.03973	1.0
293.58890	0.9
301.03409	8.7
319.19107	75.9
320.19440	4.7
331.04645	4.8
379.17783	1.1
389.19647	1.3
410.17245	1.0
479.22452	3.4
481.24380	19.6
482.24081	1.2
541.15802	3.8
541.23047	5.7
542.09454	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	541.0985
Annotation	Unknow
Peak:m/z	Relative Intensity
52.49221	0.3
59.01381	3.5
61.98811	0.5
69.43924	0.9
69.44353	1.4
71.01374	0.7
76.02525	0.3
76.76775	0.4
85.02968	0.6
89.02435	0.4
93.03457	15.8
95.01383	0.5
101.02462	0.4
107.01366	0.4
107.88778	0.3
108.02211	0.5
109.02945	1.9
113.02453	0.5
114.06402	0.3
115.05482	0.4
121.03008	0.3
123.00897	0.6
123.83741	0.3
125.02432	1.1
133.02931	0.3
135.00890	0.3
137.02440	13.0
138.02719	0.4
149.02461	0.4
151.00366	4.1
151.03986	0.4
159.04454	0.3
161.02449	0.8
161.56451	0.3
163.00372	0.3
171.04509	0.3
173.06110	0.4
174.03230	0.3
179.03496	0.3
187.03967	0.4
191.05597	1.0
192.00854	0.3
199.03990	0.7
202.02765	0.3
203.03447	0.4
211.03946	0.5
213.01976	0.3
214.02690	0.6
215.03528	0.8
227.03438	1.4
229.01572	0.4
229.05049	1.6
230.02174	0.8
231.02908	0.4
231.61392	0.3
241.05020	0.4
242.46811	0.3
243.02986	1.1
255.02975	0.4
256.03693	0.4
257.04620	0.5
258.01654	28.0
259.02414	9.1
260.02704	0.4
271.02448	18.2
272.03195	8.0
273.04013	19.8
274.04471	0.7
283.02414	1.9
285.04028	5.8
295.02579	0.5
298.01239	0.4
299.01971	1.2
301.03506	100.0
302.03824	4.2
304.02255	2.1
311.02039	0.6
313.03522	7.0
325.03464	0.5
329.03018	1.0
331.04550	45.3
332.04810	2.1
336.22629	0.4
343.04541	1.8
361.05701	0.9
367.04532	0.8
385.05685	3.8
403.06686	13.0
404.07037	0.8
421.07739	0.5
481.27805	0.5
523.08850	0.4
541.09808	14.2
542.10236	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.0986
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	2.4
61.01786	0.3
65.08241	0.3
70.62268	0.3
70.62602	0.9
71.01382	1.6
73.02929	0.4
85.02957	0.7
88.98810	0.4
89.02429	2.1
91.97414	0.4
93.03465	3.1
96.96012	3.0
100.14169	0.3
101.02413	0.9
113.02435	0.8
119.03471	0.6
125.02391	0.4
132.66580	0.3
133.02977	1.6
135.04514	1.4
137.02463	4.3
149.04515	0.6
159.04515	0.6
161.02446	4.0
173.04597	1.8
173.05820	0.3
175.00455	0.5
176.03929	0.4
179.03491	1.3
179.05634	0.3
183.04515	2.1
185.02425	0.4
191.05621	2.2
199.04033	1.0
209.02451	0.5
211.03947	2.5
213.02003	0.4
226.02673	0.4
227.03481	5.8
237.01891	0.5
238.02734	1.6
239.03442	0.9
239.06639	0.5
253.01561	0.4
254.02148	0.9
255.02960	8.0
257.05444	1.3
258.01678	0.9
259.02454	1.8
266.02249	0.7
267.02829	0.9
271.02460	2.3
272.03256	1.7
273.04037	3.4
277.62561	0.4
281.04517	0.6
283.02460	100.0
284.02771	4.9
285.03952	1.7
295.02466	0.4
296.03189	0.8
297.03928	1.3
301.03519	13.1
313.03427	1.7
319.19122	0.7
325.03513	4.5
331.04630	5.0
331.52347	0.4
353.08920	0.4
403.06668	30.0
404.06952	1.7
421.07608	7.8
422.07025	0.4
481.23199	1.0
541.09845	22.3
541.17065	0.8
542.09955	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	541.0978
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	1.3
60.99305	10.0
71.01385	1.3
71.47410	0.9
80.11683	0.9
88.98803	61.4
93.03448	1.2
94.42302	1.0
95.05068	1.3
96.96010	1.0
98.20754	2.1
109.02953	14.1
123.04510	8.9
133.02940	2.1
135.04539	5.5
137.02490	1.1
142.52359	0.9
145.02910	1.4
147.04480	1.0
151.03990	5.5
161.02402	6.7
173.04520	1.1
177.01917	17.2
179.03514	3.1
187.04013	1.2
189.01913	33.4
189.03625	1.7
190.02678	8.3
191.03450	8.3
191.05281	1.7
203.03531	4.0
216.00703	5.4
217.01385	31.7
218.02040	2.0
219.02957	13.3
220.03333	1.1
231.02986	9.6
239.06616	1.3
258.01666	2.4
271.02435	2.3
273.04044	1.4
289.07297	1.4
301.03500	8.5
323.05679	2.1
331.04507	4.7
341.06631	77.4
342.06927	5.1
403.72980	1.1
451.10315	100.0
452.10510	6.9
541.09808	4.7
541.19403	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.0985
Annotation	Unknow
Peak:m/z	Relative Intensity
53.15936	0.3
54.60388	0.3
59.01382	1.7
59.05114	0.3
69.67529	0.9
69.67956	1.3
71.01370	1.0
85.02965	0.4
89.02455	1.4
93.03461	2.0
94.41674	0.4
95.01414	0.5
99.00916	0.6
101.02431	0.7
107.01395	0.4
109.02953	1.7
123.00899	0.6
125.02477	1.3
133.02936	3.3
134.03773	1.7
135.04524	19.2
137.02431	2.3
139.74181	0.3
149.02431	0.3
151.00371	3.6
161.02443	11.1
163.00362	0.4
174.03326	0.8
179.03494	13.3
187.00412	0.4
187.03986	0.9
190.99760	0.5
191.03505	0.4
199.04010	0.4
203.03462	0.8
205.01483	0.7
211.04073	0.4
213.02043	0.5
214.02609	0.5
215.03540	1.1
217.05075	0.4
218.61606	0.4
227.03479	1.7
229.05060	1.2
230.02115	0.8
231.02914	0.7
241.05080	0.7
242.02234	0.4
243.03006	2.0
255.02899	0.6
256.03778	0.6
257.04547	0.9
258.01660	39.2
259.02414	16.7
260.02896	0.7
271.02454	26.8
272.03210	12.1
272.05859	0.3
273.04016	18.2
274.04431	1.1
281.04822	0.5
281.14120	0.4
283.02466	1.5
285.04028	9.1
298.01105	0.8
299.01904	1.5
301.03513	100.0
302.03860	4.9
304.02197	3.1
311.02005	1.0
313.03516	11.1
314.03842	0.5
329.03000	0.9
331.04559	64.9
332.04849	3.1
343.04709	1.8
361.05746	1.2
367.04553	0.8
385.05756	3.2
403.06647	2.6
523.08777	2.1
541.09790	52.6
541.19061	14.7
542.10291	5.7
542.19116	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.1506
Annotation	Unknow
Peak:m/z	Relative Intensity
55.32662	1.0
58.02967	13.6
70.02973	4.2
71.61136	1.1
72.00902	2.8
82.34097	0.9
88.69431	1.0
91.05533	4.5
96.96006	2.2
115.14027	1.1
116.92853	2.2
120.01257	1.7
136.57982	1.0
147.04512	20.8
164.07149	56.2
171.76436	1.0
173.04526	1.6
185.10178	0.9
185.50665	1.1
191.05574	3.4
206.08200	100.0
207.08492	3.7
247.06288	1.4
249.06592	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.2863
Annotation	Unknow
Peak:m/z	Relative Intensity
58.04208	0.2
59.01374	2.5
60.99294	0.7
61.98828	1.1
69.28545	1.0
69.28955	0.4
71.01374	1.0
72.99299	0.2
73.02941	1.0
78.95903	0.2
80.96505	0.2
83.01407	0.3
85.02936	0.5
86.70437	0.1
87.00880	0.4
88.98808	3.7
89.02426	0.4
93.03450	0.7
95.38955	0.2
96.96014	0.4
97.29724	0.1
99.00905	0.2
101.02459	0.9
102.07049	0.1
109.02954	0.3
113.02372	0.4
125.02437	0.2
133.03012	0.2
134.03706	0.2
135.04495	0.6
137.02431	0.2
155.03487	0.2
161.02386	0.5
173.04564	0.9
179.03516	0.4
191.05594	2.1
192.05901	0.2
211.13403	3.5
253.09303	0.2
256.07016	0.3
335.22241	100.0
336.22589	6.2
349.23889	0.3
361.17773	0.2
441.04813	0.2
447.22116	0.3
449.14532	0.3
466.32074	0.2
509.21295	0.2
539.32220	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.2859
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	1.8
60.99288	0.5
61.98830	0.8
64.20751	0.1
69.91197	0.6
71.01382	0.5
73.02943	0.9
85.02972	0.2
88.98804	2.7
89.02411	0.2
93.03464	0.2
101.02412	0.7
135.04504	0.5
137.02409	0.3
139.52902	0.1
161.02480	0.2
163.04016	0.2
173.04520	0.5
179.03416	0.2
191.05620	0.9
198.52647	0.1
211.13298	0.3
266.13785	0.1
281.54852	0.1
301.03409	0.1
313.32404	0.1
335.22244	100.0
336.22592	6.2
349.23871	0.5
509.31693	0.2
539.31818	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.2624
Annotation	CHEBI:68153
Peak:m/z	Relative Intensity
53.65780	0.6
57.03443	1.1
59.01377	6.3
61.98823	2.5
62.23949	0.6
69.03446	0.9
71.01370	1.4
71.62261	1.0
73.02950	0.6
78.91274	0.6
78.95903	30.4
85.02927	0.7
96.95998	1.7
96.96954	2.3
99.08138	2.1
111.08134	0.7
113.09720	2.3
113.39921	0.6
129.09235	3.5
135.04604	0.9
139.11272	1.1
150.97986	0.9
151.11238	1.1
152.99577	42.6
161.02467	0.9
169.12366	3.8
170.99350	0.6
171.00632	3.0
171.10240	1.5
181.12302	3.1
183.13867	1.2
191.05585	2.7
193.12270	0.8
197.11813	10.1
199.13399	5.0
200.04822	0.9
211.13371	11.7
227.03308	3.7
245.04297	1.9
275.19983	1.3
293.21176	8.3
311.22260	37.1
312.22620	0.9
317.21265	3.5
324.06534	0.7
331.17233	0.7
336.12308	0.9
391.90323	0.7
432.48825	0.6
443.43616	0.7
444.40521	0.6
447.21701	1.1
501.32166	5.3
503.32593	1.2
539.26178	100.0
540.26605	6.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.2525
Annotation	Unknow
Peak:m/z	Relative Intensity
56.95269	0.5
59.01370	0.7
61.98825	5.5
62.28173	0.5
63.96233	0.9
67.97113	0.5
68.58395	0.5
69.03448	0.7
71.01382	6.7
72.62267	0.5
73.02931	1.3
76.85088	0.5
78.98600	4.2
79.95739	8.9
80.96514	52.3
81.03477	0.8
85.02953	2.1
87.00871	2.4
94.98081	13.1
96.96012	1.6
97.02938	1.4
99.00850	0.6
101.02443	2.2
104.28822	0.7
106.98081	2.5
110.20341	0.5
122.97569	2.3
125.02434	2.2
127.04050	0.6
134.97566	4.0
136.99146	1.6
138.29623	0.6
148.99127	5.1
152.98622	5.2
164.98610	11.0
206.99617	2.3
225.00734	13.9
239.20146	1.5
299.04358	3.0
427.57727	0.5
455.44843	0.5
539.25287	100.0
540.25598	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	539.2259
Annotation	Unknow
Peak:m/z	Relative Intensity
51.30811	1.7
59.01378	100.0
61.98813	5.3
63.07945	2.0
68.68746	1.7
69.03452	3.0
71.01378	41.4
71.62904	2.9
71.68319	1.7
72.99285	2.0
73.02947	26.5
83.01381	8.5
85.02930	10.7
87.00845	2.6
88.56378	2.1
88.98827	8.6
89.02440	24.5
93.03454	6.9
95.01417	2.9
96.88211	1.6
96.96010	5.2
99.00866	7.3
101.02434	36.3
109.02916	3.0
111.00865	1.9
111.04479	2.5
113.02431	18.0
115.04005	2.3
119.03528	9.3
121.02960	3.6
125.02457	6.1
128.03508	2.2
131.03511	1.8
133.02954	4.6
134.03740	2.3
135.04498	7.7
137.02408	3.8
143.03444	3.2
149.04497	6.6
151.03984	3.5
155.03426	2.0
161.02429	10.3
161.04561	13.5
173.04521	8.4
179.03487	4.1
179.05606	3.3
187.07739	2.0
190.93356	2.3
191.05577	29.0
295.06247	2.0
327.09781	3.5
336.80389	2.0
371.20700	7.0
427.76846	1.8
434.86273	2.7
479.26291	6.3
497.27521	9.8
503.24927	77.0
504.25293	6.7
538.68750	3.6
539.22534	89.6
540.22925	7.9
545.24127	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	539.1378
Annotation	Unknow
Peak:m/z	Relative Intensity
55.34253	1.5
57.53417	1.4
58.70380	1.6
59.01376	34.4
61.98830	16.3
68.08142	1.7
69.64242	5.6
69.64648	3.7
70.78580	1.5
71.01376	29.4
72.99274	2.0
73.02920	3.5
78.95891	2.9
83.01397	1.7
85.02940	4.0
87.00873	9.1
89.02440	44.4
95.01373	1.9
96.96950	5.5
101.02432	22.0
113.02428	14.1
119.03506	8.3
125.02422	1.6
131.03497	2.4
143.03455	4.1
161.04541	7.4
179.05591	37.5
195.05199	1.7
197.92232	1.7
221.06638	20.2
237.30083	1.8
237.75566	1.7
242.29347	1.8
323.09805	5.1
326.04056	2.2
341.10867	14.6
342.11215	6.9
343.86447	1.8
377.08566	15.3
383.11914	2.2
476.82086	1.7
503.16150	100.0
504.16483	5.5
539.13818	69.3
540.13885	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	537.3295
Annotation	Virenamide A
Peak:m/z	Relative Intensity
55.01871	0.6
57.03173	0.3
57.03426	1.5
58.00613	0.5
59.01375	56.9
60.01709	0.8
61.98832	3.2
67.30919	0.3
69.03451	0.5
70.99678	0.8
71.01377	14.9
72.99310	1.0
73.02936	3.7
75.00889	0.4
79.95731	0.4
83.01379	2.0
83.05043	0.3
84.77788	0.3
85.02947	6.2
87.00875	1.3
88.98785	0.4
89.02441	8.9
89.02998	0.6
93.03469	1.1
95.01390	1.0
96.95998	2.7
99.00847	1.5
101.02438	11.9
105.01902	0.4
109.02956	0.4
111.00867	1.2
113.02435	5.5
118.03751	0.3
119.03502	3.2
119.05035	0.4
123.04505	0.5
125.02448	2.0
131.03526	0.4
133.02991	0.4
134.03728	0.3
135.04524	0.7
137.02431	3.3
138.02809	0.8
143.03458	0.4
148.01505	0.3
149.02461	0.3
150.03117	0.4
151.04018	0.8
159.03003	0.6
159.04422	0.4
161.02466	2.0
161.04558	2.0
162.03081	0.3
163.03969	0.6
165.04022	0.7
173.04559	1.9
179.03389	0.4
186.71965	0.3
191.05603	3.9
239.06703	0.5
283.13397	0.5
285.03925	0.4
289.07172	0.6
315.25256	1.7
345.16711	0.4
357.26385	0.4
371.15060	0.6
425.73163	0.5
433.28119	0.4
447.07092	0.7
477.30667	3.2
537.32709	100.0
538.33081	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	537.2549
Annotation	Alangionoside O
Peak:m/z	Relative Intensity
55.01895	0.4
57.03446	4.6
58.00591	2.5
59.01375	57.8
61.98816	1.2
68.99824	0.4
69.03456	1.7
71.01379	51.5
71.31364	0.4
72.01716	0.4
72.99300	3.2
73.02943	17.8
75.00874	0.7
75.47154	0.3
79.01920	0.3
79.95743	0.5
81.03464	0.9
83.01373	1.8
83.05029	0.7
85.02949	6.9
87.00864	1.7
89.02440	100.0
90.02779	0.7
93.03463	1.0
95.01394	0.9
96.96002	9.4
97.02952	2.2
99.00874	33.0
99.04541	0.6
100.01254	0.3
101.02438	32.7
109.02964	1.6
109.06571	0.5
111.00877	0.3
111.04514	0.4
112.05296	1.1
113.02449	8.1
115.03986	1.4
119.03494	4.7
120.05807	0.5
123.04527	1.0
125.02435	9.0
131.03491	15.6
131.08568	0.3
133.02979	0.5
134.07344	1.8
135.04529	1.1
135.08147	1.3
136.01700	0.3
137.02432	1.2
137.09708	1.4
139.03981	0.5
139.07626	1.7
139.11243	0.3
143.03493	2.7
149.04547	54.8
149.09708	20.1
150.03177	0.3
150.04912	0.7
150.10052	0.5
151.04070	0.8
153.01884	0.6
153.08038	0.5
153.09210	8.2
157.63028	0.3
161.02422	1.8
161.04544	3.6
165.01872	0.6
165.05530	0.4
167.10762	22.9
167.17271	0.3
168.11183	0.5
173.04567	0.8
175.03951	0.3
177.09869	0.3
179.03517	0.8
179.05595	1.6
191.05606	16.8
192.05989	0.6
193.05074	0.4
203.07118	1.1
205.05045	0.6
207.13823	0.9
209.11827	1.1
221.06618	3.2
225.14975	1.7
233.06659	4.6
240.07486	0.7
243.15956	1.3
245.08138	0.9
247.06366	0.6
251.07721	5.1
262.35571	0.4
267.06573	0.4
271.40735	0.4
275.07654	0.6
281.08636	0.4
282.09039	0.5
289.07169	7.5
290.07602	0.5
293.08780	8.0
293.11972	0.6
297.11353	0.8
311.09787	0.9
330.71460	0.4
345.13327	0.6
365.14661	0.8
375.14365	0.5
383.18976	0.8
395.09869	0.4
405.21243	2.8
519.24585	0.6
537.25470	95.1
538.25787	7.9
538.32220	0.2
539.77246	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.2109
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68800	1.6
51.70573	1.8
57.03436	3.1
59.01374	34.5
61.98811	4.9
69.02596	1.6
71.01379	25.4
71.38477	3.5
72.99291	5.2
73.02943	9.0
85.02938	6.6
87.95039	1.7
89.02438	51.4
89.02990	2.7
93.03472	3.3
96.95959	3.1
97.02975	2.1
98.19908	1.8
99.00861	10.9
101.02445	24.5
103.00346	3.8
105.01927	7.4
113.02435	5.3
117.01911	1.8
119.03513	3.3
125.02443	4.5
131.03477	10.1
135.04521	4.1
137.02417	3.3
143.03496	3.3
147.03018	9.2
149.03333	3.2
149.04543	61.3
161.02397	3.5
161.04573	2.0
163.53905	1.9
173.04558	4.7
179.03441	4.5
183.00356	1.7
189.01697	1.8
191.05574	17.8
221.06648	12.9
223.40457	1.7
251.07695	9.6
269.19034	2.3
293.08713	3.4
311.09729	7.4
325.18152	2.0
361.20169	6.6
375.06821	11.1
376.07388	2.0
427.90988	1.9
431.20499	9.8
449.21756	5.9
475.19586	3.7
493.20602	4.2
537.11774	3.1
537.20984	100.0
537.32837	16.1
538.20972	5.5
558.01276	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	537.1967
Annotation	Unknow
Peak:m/z	Relative Intensity
56.25747	0.8
57.03448	1.5
58.00579	2.1
59.01377	35.4
61.98812	1.2
65.11137	0.6
69.62180	1.8
69.62590	4.0
71.01373	2.6
72.19447	0.7
72.99305	15.4
73.02953	1.0
79.95724	1.0
83.05019	3.2
85.02946	1.3
87.00876	4.7
93.03448	2.7
95.82094	0.8
96.96001	6.1
99.00870	2.4
101.02467	1.3
103.00360	22.3
109.02936	1.2
113.02460	1.3
115.00323	0.9
119.04990	1.6
127.03978	0.9
129.01923	5.1
135.04491	0.9
137.02412	3.0
147.03011	1.3
151.04044	1.1
158.49652	0.8
161.02391	1.4
161.89354	1.0
163.04036	1.7
173.00882	2.0
173.04538	2.8
179.03464	1.0
191.05605	4.6
231.06873	2.7
239.06609	2.0
239.23598	0.7
301.18091	8.4
303.19385	0.9
319.19135	1.9
325.18152	0.9
336.02701	0.7
337.09277	2.2
361.20151	69.3
362.20428	3.9
363.55991	0.9
365.17783	3.7
383.19012	1.6
405.19250	4.0
431.20761	6.9
432.20901	0.8
449.21756	100.0
450.22092	7.5
475.19815	2.4
477.30481	2.6
493.20648	6.0
499.18234	1.3
537.17615	1.2
537.32697	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.1245
Annotation	6-Hydroxymyricetin 6,3',5'-trimethyl ether 3-glucoside
Peak:m/z	Relative Intensity
59.01376	4.1
61.98829	1.4
64.75307	0.4
69.03462	2.5
71.01387	2.9
71.62749	0.6
73.02945	0.8
81.03446	1.6
83.01393	2.0
85.02959	2.3
87.00882	1.0
88.98817	1.0
89.02431	2.1
92.55841	0.5
93.03470	1.8
95.01382	2.4
96.96021	0.8
97.02950	2.6
99.00859	0.5
101.02466	1.5
107.01372	2.0
108.02145	0.5
109.02953	1.5
113.02436	1.3
119.01413	0.5
119.05063	1.0
121.02942	2.9
123.00877	9.4
123.04533	0.7
124.01660	19.7
125.02441	43.3
125.57320	0.4
126.02806	1.2
133.02898	0.6
135.03119	0.4
135.04518	1.7
136.01649	0.6
137.02423	3.4
139.04022	1.3
149.02419	5.0
149.99577	35.9
151.00362	2.8
151.03998	1.5
152.01076	0.6
161.02435	3.0
161.04517	0.8
162.02252	0.7
163.04007	2.0
164.04791	3.5
165.01958	0.7
166.99969	0.5
167.03430	0.9
168.00632	60.5
169.01392	4.2
173.04558	2.1
175.00275	2.0
176.01112	0.6
177.01891	0.8
179.03490	1.2
179.07050	0.8
190.02713	6.2
191.03644	1.0
191.05559	6.6
191.77773	0.5
193.25653	0.5
205.05042	8.9
208.03760	0.6
223.06039	2.6
247.13640	0.5
289.06970	0.5
313.05609	3.6
331.06689	14.3
337.09277	1.1
367.10223	0.9
380.65268	0.4
477.30365	1.0
519.11053	1.0
536.31964	0.6
537.12408	100.0
537.31964	3.7
538.12744	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	537.1243
Annotation	Unknow
Peak:m/z	Relative Intensity
54.42188	0.5
57.03436	3.0
58.00586	1.7
59.01374	32.1
61.98829	1.3
65.00580	0.5
69.03445	1.2
71.01378	28.4
71.61987	0.9
72.99304	1.8
73.02937	7.5
79.95722	1.5
81.03449	2.6
83.01386	2.8
83.05035	0.9
85.02957	3.8
87.00864	1.1
88.98827	0.7
89.02439	48.2
93.03445	2.8
95.01390	1.3
95.05013	2.5
95.95145	0.5
96.96003	52.9
97.02941	6.3
99.00872	16.8
99.04538	0.7
101.02434	16.5
107.04993	0.6
109.02944	19.8
110.01511	0.5
111.00848	0.8
111.04517	0.9
113.02453	4.4
115.04010	1.7
119.03489	3.3
121.02982	3.4
122.03693	0.9
123.04516	10.4
125.02439	19.9
131.03476	7.0
133.02963	1.2
135.04514	3.6
137.02435	9.5
139.04022	3.0
139.07605	1.2
143.03471	1.3
143.05115	0.7
145.02925	1.2
146.03632	0.6
147.04494	0.8
149.02545	6.1
149.04539	22.9
149.09723	6.1
150.03233	1.4
151.03995	7.4
153.01935	1.8
153.09187	3.2
159.04488	2.0
160.05267	1.2
161.02423	4.2
161.04535	2.3
161.06065	4.2
162.03166	1.0
163.04018	1.6
164.01118	2.8
165.01923	3.8
165.05559	0.9
167.03494	2.3
167.10783	7.5
168.04233	1.2
173.04607	1.1
173.05952	0.6
175.04010	2.5
175.07596	1.5
177.01935	0.6
177.05547	0.9
179.03484	6.5
179.05064	0.6
179.05663	0.7
185.06027	1.1
187.03990	4.3
188.01036	0.7
188.04782	3.2
189.01884	0.6
191.05592	11.1
192.05873	0.6
201.05502	0.7
202.06317	1.8
203.03500	0.8
203.07100	9.7
205.05029	6.9
221.06418	0.9
221.08156	1.8
225.14951	0.6
227.07112	2.3
230.05814	0.7
233.06682	3.2
245.08185	15.7
246.08493	0.9
247.06160	2.5
247.56660	0.8
251.07753	1.9
271.06131	1.3
287.05856	0.6
289.07156	100.0
290.07437	4.8
293.08813	7.8
313.07147	2.2
376.21045	0.5
383.18903	1.7
395.09842	1.0
405.21271	1.8
477.15765	0.7
493.13409	1.7
537.25464	53.7
538.25995	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	537.1248
Annotation	Unknow
Peak:m/z	Relative Intensity
54.24989	0.7
55.01868	0.8
57.03446	2.2
58.00587	1.2
59.01377	27.9
60.05972	0.8
61.98819	1.1
69.03452	1.6
70.74952	0.7
70.92580	1.6
71.01381	21.5
72.99297	1.1
73.02948	5.8
79.95728	1.7
81.03451	2.1
83.01390	1.7
85.02949	3.1
87.00861	1.3
89.02444	37.5
93.03443	2.8
95.05019	1.1
96.96010	62.5
97.02938	5.4
99.00883	10.4
101.02448	12.8
108.34834	0.7
109.02952	17.3
113.02433	3.0
119.03490	2.0
121.02921	2.6
122.03739	0.9
123.04523	10.1
125.02454	18.2
131.03522	5.2
133.02975	1.5
135.04543	3.8
137.02451	8.5
139.03996	1.9
145.02969	0.9
149.02483	4.4
149.04552	16.0
149.09689	2.9
150.03227	1.3
150.98610	0.9
151.04012	5.9
153.01872	1.8
153.09161	1.1
159.04565	1.2
160.05203	0.8
161.02438	4.8
161.04634	1.5
161.06064	3.6
164.01154	3.0
165.01877	2.9
165.05544	1.9
167.03403	1.4
167.10832	3.9
168.04292	1.4
173.04584	2.4
175.03958	2.5
179.03485	6.3
179.05707	0.9
187.03973	2.7
188.01285	0.8
188.04771	2.8
191.05614	10.6
202.06213	1.0
203.07130	9.9
205.05095	5.7
210.59668	0.8
221.06323	0.9
221.08264	1.5
227.07083	1.3
233.06735	3.9
240.07558	1.2
245.08167	15.3
247.06210	1.6
251.07671	0.8
271.06110	1.3
289.07172	100.0
290.07538	5.2
293.08731	7.9
313.07172	1.9
323.07684	0.9
383.18692	1.3
395.09811	1.4
405.21347	1.3
537.16522	3.4
537.25446	42.1
538.25598	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.1246
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	1.6
59.01380	12.7
61.98821	3.4
65.00325	1.0
67.01880	0.9
71.01384	9.9
71.61929	0.9
72.99305	1.7
73.02930	1.9
79.01885	1.3
79.95706	1.6
80.85706	0.8
81.71442	0.8
84.95137	1.3
85.02934	4.7
87.00861	3.0
89.02431	5.9
93.03454	5.6
95.01375	2.4
96.96009	18.3
97.02912	1.0
99.00881	0.9
101.02435	4.7
107.01374	3.5
107.87481	0.7
109.02932	3.0
111.00872	3.1
111.04543	0.9
113.02428	2.4
119.03501	2.2
123.00880	13.6
123.04497	1.6
125.02438	19.6
131.04669	1.3
133.02968	1.3
133.05048	3.2
134.03679	1.3
135.04507	3.2
136.98775	1.4
137.02429	3.3
139.00377	5.5
140.01126	3.3
141.01852	1.7
143.03459	0.8
149.02490	1.1
151.00362	13.4
151.03954	1.2
153.01897	1.6
155.03551	1.3
159.04489	0.9
161.02444	4.9
161.04492	1.1
162.03163	2.3
164.94426	0.8
165.01868	1.6
167.03470	1.0
168.00581	4.8
169.01425	24.2
173.04536	4.8
177.05566	1.8
178.05844	1.1
179.03479	3.4
179.05795	1.1
179.07185	1.0
187.04146	0.8
189.01830	1.4
191.03860	0.7
191.05595	16.0
201.01665	3.4
201.05582	2.4
203.03476	1.3
205.12296	1.6
211.02444	5.2
223.02429	0.8
227.03459	2.1
229.05063	1.4
230.02124	1.2
243.02940	2.1
243.06557	8.6
245.04474	1.3
247.06361	3.1
247.56541	2.9
248.06969	1.4
257.04327	1.6
258.01666	30.6
259.02472	10.2
271.02289	15.6
271.04684	3.3
272.03189	9.5
272.65234	0.8
273.04022	15.0
283.02551	1.9
285.04044	6.5
287.05600	1.9
289.06744	1.8
298.01199	1.0
299.02048	1.0
301.03516	100.0
302.03809	4.6
304.02271	2.5
313.03421	7.0
331.04556	44.8
332.04926	2.1
343.04611	1.4
375.06876	5.9
382.09460	0.9
385.05466	2.6
385.09680	1.0
403.06485	6.7
415.18008	2.3
433.24542	1.6
493.11905	1.5
519.11896	1.2
536.32965	1.2
537.12280	29.9
537.19708	91.2
537.32886	4.9
538.13190	1.6
538.19873	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	535.4002
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	100.0
61.98826	9.3
65.15572	0.8
69.28171	9.1
78.95883	2.5
80.18482	0.9
84.41352	0.9
92.22885	0.9
95.95214	1.9
96.96019	2.1
144.29578	0.9
145.30986	0.9
152.78055	0.8
225.11110	1.0
309.20682	1.8
359.52756	0.9
418.97894	1.0
505.29761	1.6
535.30688	4.0
536.31940	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	536.3588
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01367	2.5
60.01698	0.4
61.01811	0.7
61.98827	100.0
70.06425	1.2
95.95215	0.8
96.96006	0.5
126.25034	0.4
138.39688	0.4
239.18320	0.3
249.39925	0.4
277.11768	0.3
435.50742	0.3
536.31079	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	535.3118
Annotation	Glidobactin D
Peak:m/z	Relative Intensity
55.01872	0.6
57.03443	1.0
58.00596	0.3
59.01376	52.9
60.01712	0.3
61.98827	7.8
63.26440	0.2
68.10323	0.2
69.03452	0.2
69.67148	0.8
69.67556	0.4
71.01378	14.1
72.99310	1.0
73.02936	3.6
75.00856	0.4
76.36610	0.2
82.89664	0.2
83.01377	1.9
84.95117	0.4
85.02951	5.7
87.00872	1.0
87.04522	0.4
89.02439	7.8
89.02991	0.4
93.03451	10.8
94.03779	0.3
95.01391	1.0
96.96008	1.8
97.02959	0.5
98.95577	0.2
99.00865	1.6
101.02440	10.5
108.02192	0.3
109.02948	1.1
111.08149	0.2
113.02447	5.3
119.03502	2.8
121.02943	2.4
123.04529	0.3
125.02454	0.7
131.03503	0.5
133.02905	0.2
135.04501	0.7
137.02438	23.4
138.02786	0.6
143.03493	0.5
149.04527	0.3
151.03925	0.4
153.01918	0.6
153.59132	0.2
159.02942	0.5
161.02507	0.5
161.04518	1.6
162.51910	0.2
167.03499	0.4
173.04593	1.0
177.01959	0.3
179.03444	0.6
183.46153	0.2
189.01970	0.2
191.05583	2.7
207.13892	0.5
209.04535	0.5
217.01268	0.2
231.06891	0.8
235.16983	0.3
243.95410	0.2
260.46689	0.2
277.21692	0.4
293.21283	0.2
295.22800	1.5
313.23999	0.7
331.18961	0.3
343.09225	0.4
365.17761	0.4
369.06058	0.4
371.07721	0.4
457.27960	0.9
475.29007	2.4
517.15039	0.3
517.30603	0.5
535.31183	100.0
536.31525	7.3
547.84552	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.3119
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	1.1
56.82802	0.5
57.03433	1.6
58.00592	0.6
59.01376	59.0
60.42245	0.5
61.98830	6.5
69.03460	0.7
69.34412	4.1
69.34841	1.0
71.01375	14.9
71.05019	0.5
72.99297	1.5
73.02935	4.5
81.03452	0.6
82.95412	0.9
83.01392	2.5
84.95090	0.7
85.02950	8.0
87.00880	2.2
89.02444	6.1
93.03448	3.9
95.01402	2.0
96.96005	16.0
97.02950	0.8
99.00865	1.9
100.46703	0.5
101.02435	9.3
105.42707	0.5
108.02158	1.1
109.02950	2.0
111.00876	0.7
111.04504	0.5
113.02450	6.0
119.03576	2.7
119.05012	11.3
121.02957	3.0
123.04505	1.5
123.08129	1.4
125.02428	2.2
125.90736	0.6
128.03558	0.9
133.02966	0.8
135.04495	2.9
136.01613	2.1
136.04884	0.5
137.02432	95.3
138.02731	2.6
143.03520	0.7
149.02426	0.6
150.03227	0.6
151.03951	1.1
155.10750	0.7
159.03036	0.7
161.02477	2.7
161.04512	1.7
163.04005	10.9
165.01891	0.6
173.04572	3.9
175.03938	0.9
179.03494	1.0
187.07674	1.1
191.05586	8.5
192.05882	0.7
199.02002	0.6
203.07156	0.6
231.10193	0.7
277.21713	1.4
289.07156	2.1
295.22726	1.4
335.22321	3.2
341.06570	0.7
413.10770	5.2
431.15106	0.5
439.26819	1.0
457.28027	2.0
475.29459	2.8
481.17163	1.1
517.14728	0.6
535.14410	12.6
535.31201	100.0
536.15271	1.0
536.31592	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	535.312
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	0.8
56.79445	0.3
57.03447	1.3
58.00586	0.4
59.01377	58.2
61.98827	50.8
68.02535	0.6
69.28214	0.7
69.28621	2.8
71.01379	13.9
72.99311	1.2
73.02953	4.8
75.00861	0.3
77.77032	0.3
81.03487	0.5
82.95425	0.3
83.01381	2.0
84.95119	0.7
85.02943	6.5
87.00890	0.8
88.98788	0.4
89.02438	7.0
93.03456	11.4
95.01405	1.5
96.96003	2.6
97.02934	0.4
99.00851	1.9
101.02445	9.2
109.02967	0.8
110.58329	0.4
111.00883	0.8
113.02434	5.4
119.03498	1.9
119.05018	1.3
121.02937	2.7
122.03316	0.7
123.03412	0.5
123.04497	0.5
123.08211	0.9
125.02441	1.4
128.99289	1.3
129.01878	0.3
129.99619	0.7
135.04526	2.0
136.04868	0.7
137.02437	33.8
138.02768	1.1
143.03523	0.6
152.01163	0.3
153.02010	0.4
159.02983	1.1
159.04332	0.4
160.45454	0.5
161.02466	1.0
161.04572	2.0
163.03992	1.0
173.04578	1.4
187.07686	0.4
191.05591	4.7
215.79700	0.3
231.07059	0.6
277.21698	1.7
289.06976	0.5
295.22769	0.9
301.03397	0.4
313.23889	0.6
337.79761	0.4
365.18167	0.5
371.07800	0.4
439.27118	0.9
457.27997	1.6
473.32562	0.5
475.29251	2.9
481.17078	0.5
504.17612	0.5
517.14087	0.5
517.30072	0.8
535.31207	100.0
536.20032	0.5
536.22980	0.6
536.31549	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	535.2758
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	0.9
57.00995	0.7
57.03444	1.4
59.01376	31.9
61.98813	1.3
64.65365	0.6
68.99779	0.8
69.03426	0.6
69.43758	2.2
69.44180	3.2
71.01376	12.4
72.99285	1.4
73.02940	4.1
73.52793	0.6
75.00864	2.0
83.01366	2.9
85.02938	5.4
86.00093	0.8
87.00868	5.1
89.02421	2.0
93.03482	0.8
95.01385	1.8
96.96015	0.9
97.02973	0.9
99.00879	1.5
101.02446	5.6
111.00852	1.2
111.69165	0.7
113.02469	3.5
113.09716	0.9
124.01639	1.4
125.02434	2.2
127.11290	0.9
137.02414	1.8
142.02750	0.8
161.02448	1.0
173.04459	0.9
181.50130	0.6
191.05566	2.8
199.25732	0.6
217.30876	0.7
239.20036	0.7
241.21712	0.7
269.21219	3.9
285.20544	1.0
287.22241	42.8
288.22549	2.1
299.22427	1.2
301.23865	1.4
329.23090	0.8
431.26389	17.4
432.26727	1.0
449.27502	40.6
450.27783	2.5
475.28140	0.7
489.32364	1.1
491.28558	100.0
492.28836	7.8
493.30695	0.8
520.21210	0.7
534.85986	0.8
535.31628	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	535.1663
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00591	3.5
59.01374	100.0
66.89468	2.4
69.03458	5.0
71.01375	77.5
71.33382	2.6
73.02953	7.5
83.01395	3.9
85.02923	14.2
87.00893	4.4
89.02437	96.1
89.11096	3.2
91.01910	10.0
93.03436	15.1
95.01365	5.3
96.96033	4.9
97.02956	7.8
99.00898	4.2
101.02430	57.9
107.05093	2.3
113.02439	33.4
119.03496	53.5
121.02967	10.3
125.02439	38.8
131.03508	7.6
137.02509	12.8
143.03447	13.5
149.04530	6.0
151.03984	91.0
152.04268	3.4
161.04538	13.5
179.05612	32.6
191.05534	4.1
221.06590	24.5
245.06752	4.1
257.08429	3.2
263.07666	10.5
285.11298	9.4
313.79764	2.9
323.09778	63.4
323.61273	2.7
342.08978	2.5
443.11963	3.9
456.14999	2.7
535.14459	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	535.1298
Annotation	Unknow
Peak:m/z	Relative Intensity
58.92144	0.5
59.01377	3.7
60.98996	0.7
60.99304	14.9
69.75806	1.4
69.76245	1.9
71.01384	2.1
85.02950	1.7
87.00880	1.0
88.98803	100.0
89.02437	8.0
93.03484	1.3
96.96001	2.6
98.95596	2.6
98.96431	0.5
99.92566	0.6
101.02422	1.2
105.57874	0.5
109.02958	0.5
113.02423	1.2
115.00354	0.8
115.92033	0.7
116.92860	2.1
119.03474	1.0
125.02447	2.9
135.04510	1.9
136.04866	0.7
137.02443	0.5
151.00302	0.8
151.03957	0.8
161.02446	1.5
161.04529	0.8
165.01958	1.1
171.10268	0.6
173.04617	1.5
179.03445	0.7
191.05598	6.8
192.05960	1.6
193.06030	1.6
207.02977	1.0
250.32442	0.5
259.06073	1.9
269.04593	1.9
287.05664	0.6
318.22565	0.5
342.06931	0.6
343.07336	0.8
373.09735	0.6
491.12320	1.3
494.60886	0.5
535.13214	1.7
535.25122	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.3431
Annotation	Unknow
Peak:m/z	Relative Intensity
58.15207	0.6
59.01376	47.7
60.01704	7.1
61.01802	6.7
61.98826	100.0
71.42663	0.6
71.61655	0.7
78.15246	0.6
78.95895	6.4
79.79620	0.6
114.18687	0.9
152.99626	1.4
160.06726	0.6
160.07928	0.6
168.60466	0.6
171.00629	1.9
203.70744	0.6
207.10410	0.9
243.12399	0.7
393.19427	1.0
475.38177	1.5
476.27682	4.5
518.71368	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.3433
Annotation	Unknow
Peak:m/z	Relative Intensity
53.64938	0.4
59.01374	0.8
61.98825	100.0
70.19852	0.4
71.62119	0.6
72.17349	0.4
81.53268	0.4
99.52876	0.5
142.29117	0.5
230.36679	0.5
349.97278	0.5
375.68454	0.4
380.62384	0.4
390.62445	0.4
471.34680	4.6
472.35834	0.6
530.84491	0.5
534.33722	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.3432
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02773	0.4
59.01378	12.6
59.27482	0.5
60.01715	1.6
61.01803	1.9
61.98829	100.0
62.70495	0.5
69.61499	0.5
71.46670	1.1
71.49850	0.5
78.95904	4.0
99.94852	0.5
132.32115	0.6
140.01181	0.8
184.81865	0.6
191.05635	1.7
196.03722	2.9
197.11871	1.3
215.12885	0.6
241.10982	1.7
255.23280	18.1
256.23727	1.1
390.01926	0.5
452.27811	11.4
452.33640	0.9
453.28143	1.1
534.27197	0.6
535.31586	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.3844
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	100.0
60.01715	0.9
63.00783	0.3
63.34655	0.3
66.13290	0.3
70.93011	0.6
93.54183	0.2
101.95505	0.3
110.30236	0.2
110.84078	0.2
139.45853	0.2
263.85110	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.3843
Annotation	Unknow
Peak:m/z	Relative Intensity
51.16592	0.1
52.51174	0.2
59.01376	100.0
60.01714	0.5
61.98847	0.2
66.78441	0.2
68.56286	0.2
69.41058	1.2
77.68815	0.2
78.95503	0.1
78.95924	0.6
81.03056	0.2
94.95525	0.1
98.20667	0.3
101.51234	0.1
121.38272	0.2
173.69029	0.2
255.23351	1.1
256.23593	1.9
304.62415	0.2
366.79837	0.2
481.31140	1.8
487.92862	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.3841
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	100.0
60.01717	0.6
61.98814	0.5
62.58412	0.3
87.57832	0.3
95.05080	0.3
96.96067	0.3
97.59096	0.3
98.20734	0.5
145.02960	0.3
190.75627	0.3
307.19073	0.3
354.10068	0.9
365.27094	0.3
391.18182	0.5
533.29773	0.4
553.64923	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.2519
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22940	0.6
51.69683	0.6
53.55437	0.7
58.96659	0.6
59.01458	3.4
59.10578	0.8
61.06707	0.6
69.31990	5.0
69.32397	1.4
71.01464	1.4
82.95482	0.8
93.03539	0.8
96.96088	1.3
135.04613	0.7
137.02495	1.1
140.73859	0.7
150.20726	0.7
161.02428	0.8
163.04021	1.0
167.03488	0.8
168.44217	0.8
173.04593	0.9
183.67200	0.8
191.05685	2.0
193.77191	0.7
197.02220	9.3
225.15083	1.0
333.20801	4.0
335.22253	100.0
336.22641	5.8
485.28888	3.2
504.29376	0.8
533.24811	52.5
533.31067	6.0
534.25574	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	533.3841
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	100.0
60.01717	0.6
61.98830	1.5
70.15436	0.4
70.84684	1.0
74.97668	0.4
78.44602	0.4
78.95936	0.5
80.99780	0.4
82.92860	0.4
87.04527	3.7
96.96071	0.6
118.23929	0.5
160.63715	0.4
173.04741	0.6
326.36035	0.5
385.31189	4.8
386.31467	0.7
473.36423	9.7
474.37122	1.1
475.26825	0.5
487.34232	1.1
518.37421	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.2236
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	0.8
57.03447	5.6
58.00587	2.2
59.01375	67.5
67.01891	0.7
69.03439	1.8
71.01380	46.2
72.99318	3.2
73.02946	15.0
74.88556	0.6
75.00858	1.1
81.03442	2.1
83.01383	1.7
83.04997	0.8
85.02945	7.6
87.00864	2.5
89.02439	100.0
93.03454	8.0
95.01381	0.8
95.05044	1.2
96.96003	8.3
97.02923	3.4
99.00873	25.6
99.01521	1.5
99.04440	0.7
101.02438	29.7
108.02178	1.0
109.02955	2.9
111.00872	1.2
111.04522	2.6
113.02450	6.8
115.03994	3.1
117.01919	0.7
119.03516	2.9
121.02991	0.9
123.04503	1.9
123.08157	2.2
125.02441	17.6
127.04007	1.0
131.03502	14.6
133.02965	1.4
135.04512	32.2
135.08127	1.2
136.04883	1.0
137.02443	4.0
143.03482	3.1
149.04549	56.4
150.04910	1.0
151.07628	1.9
153.05559	0.8
155.03490	3.3
161.02458	6.8
161.04549	3.3
161.05971	1.2
163.04092	0.7
163.07616	7.7
165.01906	1.0
165.09174	4.4
167.03500	0.9
173.04532	29.8
173.06030	1.5
174.04964	0.7
175.03975	1.4
175.88855	0.6
177.01866	1.2
177.09198	2.2
179.03487	7.9
179.10759	2.5
180.03944	0.6
188.08357	0.8
191.05598	38.5
192.05922	1.5
197.04492	0.8
203.10768	3.7
221.06641	4.4
221.11795	11.8
233.06642	12.7
234.83133	0.7
240.07520	3.5
251.07716	4.4
271.09662	0.9
272.03259	0.9
275.07465	0.7
293.08752	19.0
301.03497	1.7
311.10007	1.3
335.07663	4.4
353.08682	6.6
359.07611	1.8
371.09814	11.4
383.18835	5.5
384.19275	3.6
385.18887	0.8
421.07800	1.0
515.12262	1.2
515.21429	2.1
533.12769	11.2
533.20203	1.8
534.13464	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	533.187
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	0.9
56.35449	0.7
57.03429	1.0
59.01369	6.5
61.98822	1.8
67.01882	4.0
69.03452	2.1
71.01390	6.2
71.18561	0.8
71.18906	1.7
73.02945	1.2
81.03457	6.6
82.95406	1.2
83.01384	5.5
83.04995	0.9
85.02949	2.3
85.06571	0.8
87.00858	0.8
89.02410	1.0
93.03450	21.0
95.01394	1.8
95.05022	4.0
96.96015	3.4
97.02949	3.1
99.00852	1.2
99.04516	2.0
99.08127	1.1
101.02443	1.5
101.06076	1.5
107.05013	1.0
109.02938	3.1
109.06590	0.9
111.00891	0.8
111.04513	5.5
113.02453	2.5
119.03478	0.7
121.02955	12.2
122.03789	0.9
123.00898	0.8
123.04531	10.6
123.08126	1.0
125.02433	11.3
125.06079	8.7
128.20683	0.7
133.02940	2.6
135.04530	6.8
137.02446	7.2
137.06079	3.2
138.97125	0.7
139.04013	4.3
139.07631	0.8
141.67543	0.7
147.04543	1.5
149.02454	1.3
151.04004	1.9
153.05547	5.6
155.03491	4.0
155.26550	0.7
160.01392	0.8
160.68611	0.8
161.02415	8.3
163.03979	1.0
163.07634	0.8
165.01880	1.2
165.05603	3.7
165.09189	7.6
167.03477	16.4
173.04530	83.0
174.04863	2.5
179.03465	5.1
179.10757	4.0
181.05066	1.5
181.08681	3.2
181.69322	0.7
191.03503	2.8
191.05574	5.1
193.05038	1.2
197.04535	15.8
203.10744	1.1
205.08693	2.5
207.06598	1.3
207.10214	2.2
209.04547	21.9
209.08087	9.9
219.10225	1.1
221.04599	1.5
221.08176	4.0
221.11540	0.8
223.09816	1.2
231.10277	1.7
235.09697	3.0
239.05528	8.1
249.11400	1.3
251.09225	22.8
262.08545	1.0
263.09207	10.1
269.06723	1.1
275.09375	0.8
277.10696	2.4
281.10242	7.6
291.08789	1.1
293.10291	100.0
294.10620	3.9
305.10266	5.5
307.12079	1.2
323.11316	70.3
324.11572	4.1
335.11456	4.1
335.22269	3.1
341.12375	0.8
353.08200	1.4
353.12411	21.6
365.12384	1.6
371.09784	32.7
372.10114	2.3
395.09308	0.8
395.13510	7.9
413.14493	19.1
425.14407	5.1
443.15540	3.0
489.13593	0.8
489.23331	1.0
515.17902	1.8
533.12579	3.8
533.19061	10.9
533.25409	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.1717
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	0.4
59.01382	1.1
59.01637	0.2
67.01915	0.3
69.71266	1.2
71.01366	1.1
73.02937	0.2
74.62601	0.2
81.29089	0.2
83.04996	0.3
85.02945	9.3
87.00868	1.4
93.03448	3.5
95.76936	0.2
99.04502	0.5
109.02943	0.8
111.04494	1.0
127.03999	2.4
171.02988	0.6
173.04613	1.1
174.96727	0.2
191.05594	100.0
192.05948	2.2
197.95746	0.2
214.21106	0.2
273.30280	0.2
298.94424	0.2
359.23010	0.2
421.07745	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.1298
Annotation	Unknow
Peak:m/z	Relative Intensity
52.60205	0.3
54.09032	0.3
57.03431	0.7
59.01378	3.3
60.99310	0.8
61.78793	0.4
65.35105	0.4
67.01883	3.7
69.03450	0.8
69.57954	0.6
69.58366	1.9
71.01379	3.6
72.99300	0.6
81.03458	1.5
83.01395	1.0
83.05015	1.2
85.02954	0.9
89.02471	0.6
93.03453	21.6
95.05015	0.6
96.96007	0.8
97.02927	0.8
101.02454	0.5
101.06116	0.5
106.00607	0.4
106.85914	0.4
109.02948	1.4
109.06597	0.4
111.00862	1.3
111.04503	4.0
113.02463	0.7
115.18039	0.4
121.02947	8.8
123.00851	0.5
123.04520	1.6
125.02430	1.6
125.06044	1.5
127.03960	0.5
133.02927	0.5
135.04533	1.8
137.02437	4.9
137.06087	0.4
138.03227	0.4
139.04022	0.6
151.03987	0.5
153.05548	5.8
155.03514	4.1
161.02451	1.7
165.09236	1.4
167.03464	3.6
173.04527	100.0
174.04868	2.0
177.89716	0.4
178.90431	0.4
179.03488	1.3
179.10725	0.9
181.08720	0.6
191.05603	1.8
197.04526	13.6
207.06493	0.4
209.04529	2.9
209.08089	2.0
221.08144	1.1
235.09726	0.6
239.05540	1.7
251.09222	3.6
263.09198	1.4
269.06668	0.5
281.10226	1.0
293.10281	19.1
294.10730	1.0
305.10324	1.0
323.11325	13.1
324.11761	0.6
335.22226	6.1
341.06927	0.5
353.12363	3.0
371.09775	39.7
372.10168	1.8
395.13196	1.8
413.14560	3.1
425.14670	1.1
443.15469	0.6
498.28717	0.4
502.86673	0.4
533.19055	1.9
533.25293	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	533.1302
Annotation	Unknow
Peak:m/z	Relative Intensity
51.75718	0.9
57.03452	1.5
59.01383	8.6
60.99295	1.2
61.98826	0.9
64.50337	1.0
67.01884	4.3
68.97864	0.9
69.03472	2.4
69.95276	4.7
71.01384	8.5
72.99294	4.0
73.02933	2.2
73.65707	1.0
75.00845	1.9
76.75559	0.9
80.45193	1.0
81.03445	5.5
83.01399	1.5
83.05013	2.2
85.02934	10.2
86.03272	1.2
87.00884	3.5
88.98827	1.1
89.02422	2.6
93.03452	27.2
94.03827	1.2
95.01379	1.6
95.05015	6.6
96.96006	31.8
97.02951	2.2
97.67209	1.0
98.20605	1.7
99.00871	1.7
99.04514	3.0
101.02420	1.9
101.06110	1.6
107.05025	1.1
109.02943	8.2
111.00862	2.3
111.04517	7.4
113.02439	2.6
117.03451	3.8
121.02939	1.9
122.03742	0.9
123.04524	7.8
123.08141	1.2
125.02452	13.7
125.06058	3.3
125.06939	1.0
127.04006	3.2
128.03510	1.1
129.01889	1.2
133.02921	3.6
134.03702	2.9
135.04518	83.7
136.04814	2.0
137.02441	14.3
139.04030	1.1
145.02989	1.5
147.04480	1.6
149.02382	2.1
149.04439	1.3
150.03148	1.3
151.03984	1.7
155.03487	9.0
161.02444	12.6
163.03972	1.4
164.04767	1.3
165.01984	1.3
165.09236	5.8
167.03488	31.9
167.07217	1.1
171.03004	1.0
173.04536	99.0
174.04883	1.9
175.03951	3.3
177.01881	2.5
178.17627	1.0
179.03490	26.4
179.10803	5.3
183.10190	1.0
189.01913	3.6
191.03754	3.8
191.05594	100.0
192.05971	11.2
193.01347	1.3
195.03006	1.5
197.04546	10.4
205.01381	3.7
207.10298	2.3
209.04491	1.2
209.08141	15.2
217.01421	1.1
219.02934	7.2
221.08237	5.3
223.06071	1.3
223.09785	1.4
229.01453	1.3
230.01846	1.2
239.06682	1.2
251.09229	56.5
252.09578	2.4
263.09329	1.7
275.09225	1.8
280.74747	1.0
281.07468	1.5
281.10281	13.9
304.09488	0.9
305.10132	1.1
311.07990	1.8
315.08603	1.9
315.11978	1.8
325.09418	1.1
326.10104	1.1
335.07724	6.8
339.05130	1.2
340.05267	2.3
341.06497	12.4
341.12421	4.4
342.06989	1.0
347.97348	1.1
353.08731	20.0
354.08951	1.4
359.07382	2.0
371.09784	55.3
372.09949	3.2
413.14493	39.0
414.14935	2.9
443.15536	14.4
444.15884	1.4
455.14603	1.3
461.12976	3.1
497.26614	1.1
515.11554	3.0
515.17944	1.7
533.12073	18.3
533.20190	1.8
534.12598	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	533.1301
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	5.1
61.98845	0.5
67.01895	2.2
69.03466	0.7
69.54321	2.7
71.01380	2.9
71.41291	0.5
71.79025	0.4
72.99329	1.4
73.02957	0.8
73.13788	0.4
75.00869	4.0
77.14973	0.4
79.95771	0.5
81.03472	0.9
83.05038	1.7
85.02930	3.1
87.00857	2.2
89.02474	2.0
93.03455	11.0
94.03791	0.7
96.96004	3.2
97.02982	1.0
99.00910	0.6
99.04539	0.5
101.02469	2.0
107.05024	1.3
109.02950	2.9
111.00939	0.5
111.04514	7.0
113.02503	0.5
117.03479	0.9
119.03532	0.7
119.04958	0.4
120.30076	0.4
121.02965	0.6
123.04513	1.6
127.04002	1.0
132.02222	0.6
133.02953	6.7
134.03761	2.4
135.04518	100.0
135.71062	0.4
136.04851	2.7
137.02434	10.2
139.03984	0.6
141.01875	0.6
147.04466	0.5
149.02435	3.7
149.04662	0.4
150.03203	0.7
151.04048	0.6
153.05562	1.3
155.03499	12.7
159.04532	0.7
161.02444	23.3
162.02777	0.9
163.06111	0.7
163.94051	0.4
164.04797	2.8
167.03462	1.5
167.19493	0.4
173.04538	42.1
174.04919	1.4
179.03481	26.3
180.03839	1.0
190.02687	0.6
191.05592	31.8
192.05951	1.6
197.04527	3.5
203.03458	1.8
205.01489	0.4
205.05040	1.2
209.04439	0.7
211.07582	1.2
219.03024	0.6
223.06082	4.1
224.87445	0.5
233.06508	0.6
242.49901	0.5
255.06525	0.8
291.06805	0.6
291.65994	0.4
299.05261	0.6
309.08298	0.8
317.06754	0.5
323.07605	0.6
325.09161	0.7
327.09210	2.3
335.07690	18.5
336.07819	0.8
341.05908	1.0
353.08728	25.0
353.56702	0.4
354.08917	1.2
371.09802	25.8
372.10016	1.5
387.20065	0.5
395.09506	1.1
406.64362	0.4
473.01898	0.5
503.11557	0.9
515.11926	10.6
533.12964	21.8
534.12982	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	533.1297
Annotation	Unknow
Peak:m/z	Relative Intensity
52.25131	0.7
54.45009	0.6
57.03434	0.7
59.01373	4.3
67.01882	2.8
70.02979	1.0
71.01375	3.5
71.53027	0.9
73.02946	0.9
77.80030	0.6
79.05502	1.3
83.05044	1.1
85.02948	7.6
87.00878	3.1
88.04019	1.2
89.02428	1.0
93.03459	12.9
96.96005	10.7
99.00855	1.4
101.02458	1.0
107.05013	1.4
107.84227	0.6
108.02084	0.7
109.02918	3.7
111.04509	4.0
113.02431	2.2
113.03555	2.6
114.01948	2.4
117.03471	1.3
121.02902	0.7
123.04499	2.7
127.04003	2.0
131.04608	6.3
131.07126	1.3
132.02985	1.4
133.02979	2.1
134.03749	2.6
135.04520	71.3
136.04832	1.4
137.02431	8.9
147.04498	1.0
149.02455	1.0
149.06062	1.2
153.01863	0.6
155.03516	4.7
161.02441	8.6
165.05527	0.8
167.03439	1.4
171.02853	0.8
173.04533	42.8
175.03967	4.5
177.01918	0.8
179.03479	46.6
180.03812	1.5
189.02086	1.1
191.05595	100.0
192.05971	3.1
197.04581	1.7
219.02901	2.1
247.06490	1.1
250.40938	0.7
267.07104	1.9
271.09674	1.0
297.07678	5.4
311.61969	0.7
314.11456	0.8
315.08652	1.1
315.11823	1.2
323.07611	0.9
335.07639	5.9
340.05710	0.7
341.06058	6.9
353.08731	31.8
354.09232	1.9
359.07651	2.1
371.09793	28.6
371.14572	0.7
372.10025	1.4
484.30914	0.7
495.15048	1.3
504.23630	0.8
515.11713	1.9
533.12653	20.5
534.13086	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	533.1295
Annotation	Unknow
Peak:m/z	Relative Intensity
52.11072	0.6
56.86701	0.6
57.03497	1.7
59.01438	25.0
61.98601	0.6
61.98891	2.1
66.95196	0.5
67.01942	0.9
68.99864	1.3
69.03189	0.7
69.03522	1.6
70.06673	0.6
70.38585	0.5
71.01453	13.0
71.62750	0.8
72.99385	5.0
73.02623	1.1
73.03019	3.2
75.00946	9.9
77.38120	0.6
78.78830	0.6
82.95422	4.0
83.01453	1.4
85.02946	14.8
87.00956	4.3
89.02446	5.2
93.03532	2.3
95.01387	4.6
96.95996	3.3
97.03015	0.8
99.00884	7.8
101.02444	2.8
103.00471	2.0
103.06732	0.6
106.06699	0.6
107.05091	0.7
109.03053	2.5
111.00974	1.3
111.04597	1.0
112.01757	0.6
113.02449	16.4
115.00420	1.4
117.02034	2.0
119.05069	0.5
121.02152	1.7
121.02950	46.5
122.02543	0.7
122.03342	1.3
123.04637	0.6
125.02472	1.2
127.04047	0.5
129.02040	1.6
132.02237	1.1
133.02948	17.1
134.03836	2.4
135.04520	16.3
136.04890	0.7
137.02473	3.8
138.85837	0.6
145.03004	0.9
151.04056	0.7
153.01970	0.7
161.02429	54.0
162.02849	1.1
163.04105	0.8
165.02023	0.6
173.04601	2.2
175.02545	2.0
175.04005	0.9
179.03496	15.3
191.05595	7.2
193.03618	2.3
193.05273	0.7
203.07251	1.0
209.12108	0.6
219.06715	1.8
231.03117	0.6
231.05045	3.3
235.06186	0.7
249.06128	29.4
250.06396	0.9
252.36768	0.5
277.07153	4.4
289.07153	2.7
305.21396	0.7
335.22260	4.3
341.13885	0.8
343.08319	0.6
349.09149	2.0
349.49612	0.7
353.08716	1.2
353.23138	0.8
367.10202	2.1
371.09781	100.0
372.10126	4.2
377.68195	0.6
393.08051	1.1
411.09247	17.4
497.17352	0.6
515.18610	0.7
533.12726	21.0
533.19684	1.1
533.29779	10.1
534.13538	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	531.3687
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	100.0
60.01706	0.6
70.28079	0.7
78.88687	0.2
79.57355	0.2
84.26783	0.2
98.20532	0.3
114.05128	0.2
126.86943	0.2
150.64528	0.2
230.89928	0.2
388.46603	0.2
524.54547	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.3687
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	100.0
60.01694	0.3
70.83887	0.6
100.20081	0.2
125.83887	0.3
160.60287	0.3
191.28941	0.2
198.48100	0.2
249.07872	0.2
282.74475	0.2
424.65411	0.3
466.66342	0.2
553.09546	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.3689
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	100.0
60.01697	0.6
61.98820	1.1
71.62791	0.3
78.95915	0.7
103.53143	0.3
114.50307	0.2
118.32773	0.2
134.48689	0.3
191.05696	0.4
191.60652	0.2
194.39261	0.2
206.01863	0.3
253.93405	0.2
255.23274	1.7
256.23532	1.6
471.34842	1.0
480.30966	0.6
481.31174	2.0
481.37170	0.3
509.74661	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	531.3687
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	100.0
59.39051	0.2
60.01710	0.8
61.98844	0.4
78.95921	0.2
98.20708	0.3
106.84557	0.2
136.20691	0.2
137.04582	0.2
163.02078	0.2
165.17162	0.2
184.90443	0.3
208.97560	0.2
305.24960	0.5
306.25320	0.8
360.99466	0.2
441.33688	9.9
442.34180	0.7
531.32312	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.3685
Annotation	Unknow
Peak:m/z	Relative Intensity
51.12041	0.4
59.01376	100.0
60.01707	0.5
64.79161	0.3
65.15372	0.3
70.36535	1.4
81.62837	0.5
85.57256	0.5
88.93853	0.4
94.02764	0.4
100.94143	0.4
164.45883	0.4
178.75264	0.3
182.15454	0.3
257.79276	0.4
389.12033	0.4
449.18713	0.8
528.17041	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.3685
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	0.6
57.82091	0.5
59.01376	100.0
61.98824	1.1
63.59875	0.5
69.03401	0.5
69.41028	3.6
69.41444	0.8
71.01378	4.8
72.99300	1.5
75.00870	3.6
77.55846	0.5
78.95918	0.7
79.94983	0.4
85.02936	5.9
87.00895	2.0
88.78170	0.5
89.02440	1.3
93.03473	0.8
95.01395	1.2
96.95975	3.8
98.20582	0.8
99.00891	2.8
103.00372	0.7
113.02431	5.8
143.40367	0.5
175.02539	1.0
185.04234	0.5
191.05563	4.1
249.06184	2.2
262.56537	0.5
267.07275	0.7
281.10083	0.6
281.24841	19.4
282.25269	1.3
283.13394	0.7
344.64658	0.5
513.30811	0.7
531.31958	25.9
531.77368	2.0
532.32385	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.3686
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	100.0
60.01704	0.4
61.98828	0.7
70.01890	1.6
74.01868	0.4
78.95912	1.9
79.18654	0.4
82.93379	0.3
102.67620	0.3
107.12094	0.3
107.38580	0.3
190.95416	0.4
191.05664	0.4
198.05826	0.3
270.69592	0.3
471.34702	0.5
473.33112	0.3
474.26514	1.4
531.36151	1.1
532.37714	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.297
Annotation	WIKSTROELIDE E
Peak:m/z	Relative Intensity
57.03441	1.7
59.01375	1.9
61.98808	0.6
65.74654	0.3
69.10100	0.3
69.38691	2.2
70.88876	0.3
71.01369	1.6
72.99297	0.5
73.02918	0.6
79.95724	0.3
83.05022	1.2
85.02946	2.0
89.48272	0.2
93.03439	0.5
96.96000	3.2
97.06573	0.6
98.19898	0.4
99.04469	0.3
101.02461	1.6
109.02953	0.5
111.04519	2.2
111.08156	0.7
113.02462	0.3
121.06581	0.3
123.04514	6.6
123.08118	0.3
125.02439	0.3
134.03722	2.0
135.04411	0.9
137.02415	0.4
161.02408	0.8
163.11266	0.9
171.11679	0.3
173.04501	0.8
173.13351	0.3
179.03465	0.8
191.05569	2.7
192.05965	0.7
193.05011	1.1
194.05354	0.9
195.05518	0.4
197.29111	0.3
231.07091	0.5
239.06787	0.3
281.19003	0.5
287.20090	0.3
289.44431	0.3
297.22186	4.7
313.21994	0.3
345.24466	0.4
353.08627	0.3
354.09586	0.3
355.09290	0.4
363.25433	3.1
365.17783	1.0
368.10559	0.5
369.10806	0.9
375.26883	0.4
415.28488	1.6
421.27158	0.3
425.30576	0.3
427.28607	0.4
441.30450	2.3
442.29974	0.4
443.31448	1.8
445.29337	0.4
451.28223	0.8
457.29651	0.4
469.29556	5.2
470.29861	0.5
487.30606	15.1
488.31027	1.6
531.29565	100.0
532.29871	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	531.2805
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	0.6
58.00590	0.5
59.01377	100.0
60.01700	0.5
61.98829	2.0
69.03468	0.7
71.01377	9.1
71.62457	0.5
72.01760	0.3
72.99341	0.5
73.02946	3.6
81.03460	0.4
83.01391	1.5
85.02949	3.6
86.00111	0.5
87.00881	2.3
87.04487	0.8
89.02448	5.1
93.03459	3.2
95.01386	0.7
96.95996	1.7
97.02941	0.5
99.00886	0.4
101.02442	6.7
101.06097	0.7
109.02940	0.6
111.00856	0.7
111.04533	0.9
113.02453	5.1
119.03517	2.1
123.04575	0.4
125.02435	1.8
128.73436	0.3
131.03520	0.6
133.02950	0.6
134.03766	0.5
135.04550	1.4
137.02458	1.0
143.03546	2.1
145.03000	0.4
148.00307	0.3
148.33324	0.3
149.04500	0.4
155.03477	0.3
161.02498	2.2
161.04576	2.9
173.04510	2.3
174.04938	0.4
179.03580	1.2
179.05569	1.9
191.05597	5.7
192.05904	0.6
241.05301	0.3
267.19727	0.7
301.03870	0.5
309.91965	0.3
315.18204	0.5
374.06238	0.6
393.23010	1.1
411.23828	11.2
412.24185	0.5
429.24890	6.0
430.25571	0.5
449.14691	1.2
471.11475	0.4
471.25671	3.2
471.31714	0.5
487.25671	0.9
531.20776	0.7
531.28442	5.6
532.28986	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.2214
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	2.2
57.03438	3.3
59.00900	3.0
59.01105	3.6
59.01373	47.9
61.98828	13.2
66.38355	1.6
69.03443	2.3
71.01379	61.1
71.61931	3.1
72.59054	1.7
72.99306	4.4
73.02943	21.9
75.00894	2.3
79.95737	4.2
83.01382	7.3
83.05026	1.9
85.02943	24.8
87.00899	8.2
88.98774	1.8
89.01914	2.6
89.02441	41.5
93.03449	12.9
95.01405	2.9
95.05042	2.4
96.95998	37.7
97.02955	3.5
99.00875	12.2
101.02431	38.5
101.03978	1.8
101.06061	2.2
108.02169	13.4
109.02934	17.5
111.00874	2.1
111.04506	3.3
113.02437	18.2
115.03969	3.1
117.01603	1.7
119.03495	7.2
119.05034	5.1
121.02953	2.9
123.04517	7.4
125.02435	9.5
127.04030	3.0
128.03487	2.8
129.01953	2.3
131.03506	4.2
133.02951	12.1
135.04524	14.0
137.02438	4.8
138.05609	3.6
143.03445	3.9
145.02966	2.3
146.04584	2.0
149.02484	2.4
149.04541	15.9
151.02722	2.6
151.03984	6.7
152.01146	19.2
159.02988	1.9
161.02446	16.9
161.04517	20.3
162.03317	2.5
163.04021	5.5
173.04524	16.9
177.01923	17.6
178.02426	1.5
179.03494	8.9
179.05592	3.1
184.07352	2.1
187.04025	3.4
189.01906	21.4
190.02762	8.3
191.03723	3.9
191.05598	45.2
191.07329	2.4
192.06035	2.8
193.05074	3.9
195.03062	2.4
203.03508	3.2
209.11812	18.0
216.00656	3.8
217.01430	14.1
219.02975	5.7
227.07085	1.9
227.12857	2.6
230.99814	2.2
231.02908	4.4
235.44640	1.6
239.06750	3.0
240.06691	1.9
240.56844	2.0
253.09262	3.7
281.04532	5.6
289.07230	2.3
293.08820	2.7
297.07553	3.0
299.05692	6.8
321.10492	1.8
339.04977	4.2
341.06622	38.9
342.07150	2.5
351.07202	3.5
353.08646	3.6
369.08350	2.6
379.01459	1.9
381.17523	3.7
384.11786	2.2
399.23663	13.4
429.10202	3.9
451.10355	16.8
463.21851	2.8
468.15628	2.8
531.06018	58.0
531.16779	10.7
531.21735	6.5
531.28235	100.0
532.06378	5.3
532.28680	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	531.2215
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03460	6.1
59.01374	58.6
61.98831	65.6
62.96278	5.3
69.42074	44.1
71.01361	39.4
73.02951	15.9
79.95743	10.5
82.95415	8.2
83.01373	6.8
85.02944	29.1
87.00904	7.7
89.02451	22.5
93.03429	39.2
96.96007	61.8
98.20583	9.7
99.00896	7.5
101.02448	28.0
102.05623	13.9
104.03483	5.7
105.46600	5.5
109.02935	34.1
111.04523	10.0
113.02431	11.6
121.02966	5.6
123.04549	15.8
125.02452	8.4
127.77976	5.0
128.03519	63.3
129.03864	17.4
133.02924	22.4
134.03732	6.7
135.04520	39.3
137.02449	20.4
145.03023	7.3
146.04601	37.6
147.04568	8.7
148.05083	5.4
149.02409	8.5
151.03984	22.2
153.01944	15.7
159.04411	6.0
160.01605	6.0
161.02412	36.2
161.04568	8.9
162.02809	11.8
163.03885	8.0
172.02518	15.7
173.03030	8.9
173.04532	43.4
174.03003	6.7
177.01898	32.5
179.03477	25.5
188.98613	12.8
189.01920	53.8
190.02612	13.9
191.03648	9.8
191.05600	82.1
191.07132	10.0
192.07458	12.9
197.04639	5.5
199.16972	5.1
203.03392	9.6
209.11786	68.7
217.01350	25.9
219.03004	13.9
227.12868	12.5
231.02917	6.9
237.07602	33.7
239.06711	22.5
253.09120	10.8
267.06470	6.7
277.04810	6.2
279.08847	9.1
282.05246	10.6
283.05640	18.0
293.07797	5.4
294.08530	8.9
295.05939	6.9
297.07635	13.2
298.07889	32.9
309.07532	9.4
310.07898	17.0
312.09998	10.0
313.07285	7.1
313.10336	28.6
325.10382	8.7
327.12134	7.7
328.12610	22.2
330.78311	6.6
338.07553	7.1
339.08640	9.0
341.06528	69.9
342.07016	10.9
352.08936	6.1
354.10461	16.0
358.13876	7.9
372.11346	10.8
383.11716	11.5
384.11688	72.4
397.22388	5.3
402.13342	8.9
429.10400	6.0
445.20538	17.5
451.10117	31.5
452.10010	5.7
454.14761	6.8
468.16156	7.2
469.16861	15.8
500.14221	6.1
501.15823	35.7
513.15942	50.0
531.05884	100.0
531.16956	85.9
531.23169	17.0
531.28900	52.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.1139
Annotation	Trilobatin D
Peak:m/z	Relative Intensity
52.38774	0.9
58.32484	0.8
59.01364	6.9
67.01891	2.4
69.81300	0.7
70.30685	0.9
71.01379	5.1
72.99306	2.4
73.02947	1.4
79.95746	2.8
83.05040	1.0
85.02949	12.2
87.00892	3.6
89.02461	3.0
93.03458	13.6
96.96005	29.2
98.95623	0.9
101.02447	2.3
105.03503	1.2
107.05013	1.3
108.02194	1.6
109.02940	18.2
111.04530	2.9
113.02447	1.3
117.03438	1.4
119.03476	1.2
121.03004	2.0
123.04543	4.1
125.02443	1.2
127.04012	3.4
129.03497	1.3
133.02956	10.5
134.03773	1.3
135.04524	18.3
136.04836	0.9
137.02428	4.8
145.02953	5.5
146.03743	1.3
147.04518	9.9
149.02397	1.0
150.03230	1.7
151.03961	5.0
153.01901	0.9
155.03525	2.9
157.02919	5.2
158.03757	1.2
159.04514	10.1
161.02437	13.8
161.04588	1.7
163.04018	1.4
173.02368	2.3
173.04543	23.4
174.03282	2.0
175.04051	3.5
177.01953	8.4
179.03493	16.7
179.05270	1.0
179.05658	0.9
180.03821	0.9
185.02383	4.3
187.04045	1.0
189.01979	3.3
191.05597	98.0
192.06004	3.0
193.06581	1.5
195.03009	2.4
201.01958	1.1
203.03389	1.8
217.01550	1.4
220.05209	1.2
221.05963	2.2
224.04916	1.4
228.99138	2.0
229.01393	36.7
229.54163	0.9
230.01942	1.8
231.03067	1.3
239.03712	1.2
239.07047	4.9
248.04901	1.4
248.07303	1.1
249.05489	7.8
250.06369	2.7
251.07161	1.0
253.05130	1.8
257.05765	1.5
265.04956	1.7
266.05573	2.0
267.06613	16.7
269.08160	4.3
277.05060	11.8
278.05731	3.0
289.12674	0.8
293.04532	4.1
294.05429	3.3
295.06091	27.5
296.06586	1.8
300.76312	0.9
313.07147	2.5
313.10632	1.0
335.07611	6.1
339.05069	100.0
340.05353	4.8
341.06757	2.7
353.08817	12.3
357.06113	1.3
357.09909	1.1
369.08472	1.4
371.34552	0.9
487.12842	2.5
488.04840	0.9
519.64856	0.9
531.06073	2.9
531.11707	32.7
531.28821	4.9
532.11914	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	531.1141
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03454	0.4
59.01348	2.7
59.73791	0.4
60.79352	0.4
61.98836	0.6
65.64013	0.4
67.01874	0.8
69.33487	0.6
69.33896	2.7
69.74966	0.4
71.01387	1.5
79.95753	0.6
81.03438	0.5
85.02946	8.5
87.00875	2.0
89.02470	0.6
93.03458	5.3
96.96008	9.5
99.04508	0.5
101.02436	0.6
108.02144	0.9
109.02947	15.7
111.04556	1.9
113.02479	0.7
117.03455	1.0
119.05035	0.7
121.02963	1.5
127.04003	2.1
129.03500	1.3
130.04329	0.4
131.04955	0.6
133.02971	1.6
135.04536	2.9
137.02429	2.0
145.02960	6.3
146.03729	0.6
147.03349	0.5
147.04518	9.8
149.02386	0.6
151.04008	2.4
157.02942	5.6
158.03674	1.2
159.04518	10.4
161.02481	1.7
163.03966	0.6
170.97606	0.7
173.02432	2.4
173.04533	5.1
174.03206	1.1
175.04041	3.7
177.01952	0.9
179.03452	2.8
184.52072	0.4
185.02434	4.1
186.03230	0.8
187.04079	0.5
189.01994	0.5
191.05603	63.9
192.05965	1.8
193.06577	1.1
195.08044	0.4
196.05228	0.6
197.06097	0.7
201.01927	1.2
203.03540	1.1
209.06099	0.5
211.07687	1.3
221.06071	2.6
222.06805	0.4
224.04712	0.9
225.05537	1.0
229.01396	31.7
230.01868	1.7
232.05263	0.7
233.06071	0.7
237.05554	0.6
238.06438	0.8
239.07086	2.3
248.04672	1.1
248.07062	0.4
249.05510	5.8
250.06268	2.6
251.06970	0.8
253.05013	1.4
265.05051	1.6
266.05856	2.2
267.06589	17.6
268.06979	1.0
269.08182	5.6
276.04117	1.1
277.05048	12.5
278.05719	2.5
280.03592	0.8
292.03812	0.4
293.04538	4.5
294.05338	2.9
295.06079	24.6
296.06326	1.1
313.07077	3.1
321.04184	0.7
327.10831	0.5
339.05063	100.0
340.05405	5.4
353.08804	2.7
357.06113	0.5
369.08301	0.8
436.30008	0.4
487.12308	2.1
531.11285	21.9
532.11505	1.8
554.12048	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.1141
Annotation	Trilobatin D
Peak:m/z	Relative Intensity
54.29270	0.4
57.03464	0.5
58.66499	0.5
65.63240	0.5
65.98348	0.5
67.01886	0.8
67.07492	0.6
69.60323	1.6
69.60745	1.8
71.01392	1.3
81.03438	0.7
85.02947	9.0
87.00867	2.0
88.18060	0.5
93.03459	5.6
96.96027	1.3
101.02444	0.6
102.55708	0.4
108.02176	0.7
109.02939	13.0
111.04510	1.3
113.03566	1.0
114.01965	0.7
121.02964	1.7
127.04001	2.3
129.03473	0.9
131.04565	2.3
133.02943	1.2
135.04501	1.8
137.02458	2.1
145.02948	5.4
145.06462	0.5
146.03697	1.0
147.04491	6.0
151.03983	2.2
153.01854	0.8
155.03583	0.6
157.02959	4.9
158.03706	0.7
159.04520	7.5
160.03966	0.7
161.02434	1.7
163.03934	0.9
171.02963	0.7
173.02463	2.3
173.04514	3.8
174.03229	0.8
175.03966	3.5
177.01782	0.5
179.03452	2.8
185.02423	4.1
186.03201	0.8
187.03947	0.6
187.07634	0.7
189.01869	0.6
191.05592	67.5
192.05984	1.7
193.06598	0.9
197.06076	0.6
201.01924	1.6
203.03419	0.8
211.07607	1.2
217.40083	0.5
221.06041	2.5
224.04771	0.9
225.05548	0.5
229.01387	32.2
230.01828	1.2
233.06131	0.6
237.05284	0.7
239.07076	2.6
248.04790	1.1
249.05579	5.1
250.06197	1.7
251.07069	1.2
252.04431	0.6
253.05103	0.9
260.04752	0.5
265.05002	1.8
266.05804	1.7
267.06577	14.5
268.06894	0.7
269.08221	3.2
276.04245	1.4
277.05014	11.4
278.05655	2.0
280.03821	0.9
293.04520	4.6
294.05249	3.4
295.06070	22.4
296.06357	1.4
313.07126	1.7
321.04037	0.8
339.05057	100.0
340.05447	4.7
341.06293	0.7
353.08798	1.5
403.59708	0.5
487.12180	1.6
525.80499	0.5
531.11273	20.6
532.11591	0.9
532.16071	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	530.3015
Annotation	Unknow
Peak:m/z	Relative Intensity
55.33243	0.3
59.01374	8.0
61.98840	0.3
64.46977	0.3
65.67909	0.3
69.27605	3.1
78.95897	18.8
85.38370	0.4
87.88158	0.3
90.59486	0.3
99.73981	0.3
106.77650	0.3
107.46508	0.3
111.53645	0.3
134.98529	0.4
149.11978	0.4
152.99553	2.6
168.04274	3.2
224.06888	7.1
228.07674	0.3
242.07965	2.1
255.23270	100.0
256.23602	4.8
280.23669	0.3
322.06085	0.3
368.48483	0.3
480.30893	71.1
481.31223	4.7
530.36090	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	530.1669
Annotation	Unknow
Peak:m/z	Relative Intensity
52.85312	1.5
53.05142	1.7
59.01386	9.9
61.98829	30.3
67.01874	2.1
71.01357	7.0
71.62489	2.0
73.32957	1.6
78.54710	1.5
79.95724	1.9
83.05021	2.7
85.02933	7.2
87.00864	2.8
90.38833	1.6
93.03450	15.4
95.01409	1.4
96.95995	5.9
101.02428	3.6
102.05611	11.6
109.02924	4.9
111.04484	2.5
119.05050	1.6
123.04504	2.2
124.25172	1.6
125.02388	3.5
128.03539	71.6
129.01955	3.0
130.48389	1.7
133.02977	11.5
134.03683	3.5
135.04550	10.3
136.04811	2.0
137.02368	4.9
145.05037	2.0
146.04599	29.6
147.04491	7.5
148.05310	8.3
149.02452	2.1
151.03995	4.3
155.03415	2.3
160.01605	4.9
161.02428	17.3
161.04445	2.8
162.03102	3.4
162.06842	2.4
165.05539	1.8
172.02512	27.0
173.02309	3.1
173.04541	16.9
174.03160	5.5
175.03804	1.4
176.04704	5.8
177.01845	4.8
179.03490	8.8
180.04126	3.1
189.01906	8.3
190.02617	1.7
191.03601	3.1
191.05528	37.9
191.07112	18.7
192.05887	2.6
193.04982	3.1
194.05608	4.7
202.02650	3.0
206.02187	2.8
209.11739	3.6
217.01213	2.8
219.02896	1.8
220.03799	1.7
221.06064	2.3
223.07681	1.8
226.06111	1.8
229.01395	2.1
229.04990	3.6
231.02933	1.8
237.05492	2.9
238.06311	4.1
239.06662	5.9
249.05486	3.4
250.06258	3.2
251.07036	1.9
253.08810	3.9
254.05806	4.3
263.03555	1.9
264.07660	2.0
265.04916	2.9
266.05737	4.8
267.02847	3.0
267.06622	4.3
269.08224	2.8
277.05087	3.0
278.05685	3.6
278.10410	2.0
279.06516	6.0
282.05301	25.7
291.06561	1.7
292.07248	5.2
293.08142	8.7
294.05194	4.8
294.08850	4.5
295.06171	2.7
297.07642	40.2
298.08200	2.9
307.09674	3.0
309.04300	2.0
309.07697	24.9
310.08127	3.2
312.10004	31.9
313.10602	3.5
319.06104	3.2
322.04538	1.7
323.05267	5.2
323.08865	2.7
324.10052	8.9
325.10648	4.1
327.12326	26.2
337.07074	4.5
338.07751	3.3
339.08600	5.1
339.12256	3.7
341.06641	10.3
351.08087	3.5
352.08826	2.8
353.06323	2.7
353.10083	14.9
356.08698	2.0
357.13510	13.4
365.09952	6.0
368.08725	3.7
369.09186	2.6
371.11349	11.7
382.12836	4.0
383.11310	83.7
384.11526	2.6
395.13583	2.0
401.12259	5.6
436.14078	3.1
438.11719	5.2
449.14551	2.5
451.09982	3.6
453.14035	5.6
456.16547	4.2
467.15659	9.6
468.16641	14.8
482.14731	3.5
494.14377	9.7
500.15610	30.7
512.15472	43.1
513.15509	2.7
530.16473	100.0
531.06097	16.4
531.16455	6.9
531.28845	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	530.1669
Annotation	Unknow
Peak:m/z	Relative Intensity
52.85312	1.5
53.05142	1.7
59.01386	9.9
61.98829	30.3
67.01874	2.1
71.01357	7.0
71.62489	2.0
73.32957	1.6
78.54710	1.5
79.95724	1.9
83.05021	2.7
85.02933	7.2
87.00864	2.8
90.38833	1.6
93.03450	15.4
95.01409	1.4
96.95995	5.9
101.02428	3.6
102.05611	11.6
109.02924	4.9
111.04484	2.5
119.05050	1.6
123.04504	2.2
124.25172	1.6
125.02388	3.5
128.03539	71.6
129.01955	3.0
130.48389	1.7
133.02977	11.5
134.03683	3.5
135.04550	10.3
136.04811	2.0
137.02368	4.9
145.05037	2.0
146.04599	29.6
147.04491	7.5
148.05310	8.3
149.02452	2.1
151.03995	4.3
155.03415	2.3
160.01605	4.9
161.02428	17.3
161.04445	2.8
162.03102	3.4
162.06842	2.4
165.05539	1.8
172.02512	27.0
173.02309	3.1
173.04541	16.9
174.03160	5.5
175.03804	1.4
176.04704	5.8
177.01845	4.8
179.03490	8.8
180.04126	3.1
189.01906	8.3
190.02617	1.7
191.03601	3.1
191.05528	37.9
191.07112	18.7
192.05887	2.6
193.04982	3.1
194.05608	4.7
202.02650	3.0
206.02187	2.8
209.11739	3.6
217.01213	2.8
219.02896	1.8
220.03799	1.7
221.06064	2.3
223.07681	1.8
226.06111	1.8
229.01395	2.1
229.04990	3.6
231.02933	1.8
237.05492	2.9
238.06311	4.1
239.06662	5.9
249.05486	3.4
250.06258	3.2
251.07036	1.9
253.08810	3.9
254.05806	4.3
263.03555	1.9
264.07660	2.0
265.04916	2.9
266.05737	4.8
267.02847	3.0
267.06622	4.3
269.08224	2.8
277.05087	3.0
278.05685	3.6
278.10410	2.0
279.06516	6.0
282.05301	25.7
291.06561	1.7
292.07248	5.2
293.08142	8.7
294.05194	4.8
294.08850	4.5
295.06171	2.7
297.07642	40.2
298.08200	2.9
307.09674	3.0
309.04300	2.0
309.07697	24.9
310.08127	3.2
312.10004	31.9
313.10602	3.5
319.06104	3.2
322.04538	1.7
323.05267	5.2
323.08865	2.7
324.10052	8.9
325.10648	4.1
327.12326	26.2
337.07074	4.5
338.07751	3.3
339.08600	5.1
339.12256	3.7
341.06641	10.3
351.08087	3.5
352.08826	2.8
353.06323	2.7
353.10083	14.9
356.08698	2.0
357.13510	13.4
365.09952	6.0
368.08725	3.7
369.09186	2.6
371.11349	11.7
382.12836	4.0
383.11310	83.7
384.11526	2.6
395.13583	2.0
401.12259	5.6
436.14078	3.1
438.11719	5.2
449.14551	2.5
451.09982	3.6
453.14035	5.6
456.16547	4.2
467.15659	9.6
468.16641	14.8
482.14731	3.5
494.14377	9.7
500.15610	30.7
512.15472	43.1
513.15509	2.7
530.16473	100.0
531.06097	16.4
531.16455	6.9
531.28845	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.3531
Annotation	Rubianol b
Peak:m/z	Relative Intensity
51.72025	0.2
59.01376	15.6
59.87481	0.2
61.98832	0.3
63.37028	0.2
69.86714	0.4
69.87114	0.8
71.05016	1.7
77.00105	0.2
78.95871	0.3
80.96522	0.3
82.96061	0.3
85.02945	0.2
96.95995	0.3
104.21182	0.2
105.97955	0.2
193.72290	0.3
211.09206	0.3
253.21684	0.7
254.21962	1.0
294.43414	0.2
342.77814	0.2
362.10907	0.3
405.31564	0.7
421.30685	0.3
437.30707	1.2
451.32227	0.5
469.33862	1.8
478.28903	0.3
479.29550	0.9
485.36533	0.4
511.34192	10.6
512.34460	1.0
529.35297	100.0
530.35663	8.3
550.68298	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.3536
Annotation	Rubianol b
Peak:m/z	Relative Intensity
54.21455	0.7
59.01379	12.1
61.98831	2.0
71.05016	1.1
71.31770	1.0
71.32115	1.3
77.26977	0.8
78.95876	0.8
82.42458	0.7
91.37764	0.7
91.81732	0.8
96.96022	3.8
124.41744	0.8
128.39546	0.7
135.04645	0.8
135.43097	0.7
139.58817	0.7
191.05594	1.3
247.17688	0.7
253.21799	1.8
254.22108	1.4
407.19095	0.9
441.33847	2.4
456.65717	0.8
469.33762	1.7
471.34567	0.9
479.29837	1.1
511.34293	8.4
529.35498	100.0
530.35962	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	529.3532
Annotation	Unknow
Peak:m/z	Relative Intensity
53.26862	0.7
59.01375	100.0
61.98839	1.2
62.79437	0.7
63.83935	0.6
66.47292	0.6
66.62474	0.7
68.99576	1.9
70.89588	1.7
71.19700	0.7
75.00893	0.8
101.54136	0.6
112.98581	1.4
115.72111	0.7
179.61749	0.7
180.48714	0.7
191.05598	2.1
288.08487	0.7
469.32983	0.8
518.42419	0.8
529.29883	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.3532
Annotation	Rubianol b
Peak:m/z	Relative Intensity
58.15061	0.9
59.01376	100.0
61.45210	0.9
61.98814	1.2
62.80386	1.1
66.57108	1.2
70.26048	1.9
70.26439	2.3
112.85863	1.0
117.85027	0.9
191.05600	6.3
244.36487	1.2
439.32343	1.7
451.31934	2.3
462.13934	1.0
469.33170	6.7
483.34512	1.4
495.34763	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.3014
Annotation	Kukoamine A
Peak:m/z	Relative Intensity
55.25712	0.8
57.03428	1.4
58.64867	0.9
59.01375	16.2
61.98820	1.0
68.04751	0.9
68.99817	1.0
69.03431	1.0
69.35010	0.8
70.36950	0.7
71.01376	12.9
72.99286	4.6
73.02948	1.3
75.00869	15.1
75.86246	0.8
85.02946	15.8
87.00864	4.4
89.02430	2.4
89.23280	0.7
93.03440	1.2
95.01373	3.3
96.96077	0.8
99.00871	7.5
103.00342	2.1
104.14344	0.9
113.01690	1.5
113.02439	21.5
115.00366	2.1
117.01954	1.8
175.02417	2.7
191.05611	2.3
205.07137	1.1
231.05060	1.1
249.06120	14.0
252.55359	0.8
267.07156	2.3
279.23260	72.0
280.23590	3.7
447.65735	1.2
469.27579	0.9
491.37354	1.4
511.29105	2.8
529.30109	100.0
530.30493	10.1
554.26129	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.3013
Annotation	Unknow
Peak:m/z	Relative Intensity
52.27273	0.2
55.01863	0.3
57.03447	0.3
59.01373	7.5
60.99289	0.3
61.98803	0.7
64.74957	0.2
67.01888	0.5
69.03446	0.6
69.77075	1.2
71.01374	5.6
72.99293	0.4
73.02938	1.0
78.95872	0.2
83.01357	0.6
85.02956	1.7
87.00867	1.6
89.02426	4.4
93.03453	4.8
95.01370	0.4
96.95974	0.4
97.02927	0.3
99.00896	0.3
99.04546	0.3
101.02439	5.2
109.02893	0.4
111.04516	0.4
111.08147	0.4
113.01678	0.4
113.02430	3.1
113.09710	0.4
119.03460	1.6
125.02402	0.3
131.03465	0.3
133.02954	0.4
134.03693	0.5
135.04498	1.5
141.73959	0.2
143.03476	0.8
146.86865	0.3
160.01598	0.6
161.04547	3.0
167.10782	0.5
169.12402	0.4
171.10309	0.4
173.04532	3.5
177.12822	0.4
179.03529	0.4
179.05554	1.1
179.10661	0.2
179.14439	0.7
191.05595	7.1
195.13889	8.9
196.14549	0.5
205.12323	0.7
205.15964	0.4
209.11884	0.4
211.13420	0.7
223.13348	5.7
228.13597	0.8
231.21263	0.3
235.08212	0.3
253.09259	31.3
254.09607	0.9
256.13242	1.2
265.21725	0.5
275.20102	5.8
276.20468	0.3
291.19617	0.3
292.19937	0.5
293.21204	100.0
294.21545	5.1
308.08917	0.3
308.97964	0.3
337.14511	0.5
351.07272	0.7
492.21857	0.7
529.20813	1.9
529.33893	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.3014
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03426	0.3
59.01375	7.6
61.98805	0.8
69.03445	0.5
71.01385	5.1
71.05006	0.2
71.61816	0.2
72.99281	0.3
73.02951	1.2
83.01404	0.7
83.05011	0.3
85.02938	1.6
87.00858	1.0
89.02437	4.7
91.03989	0.2
93.03442	1.5
97.02927	0.3
97.06540	0.4
99.00882	0.4
101.02441	5.8
111.04498	0.3
111.08189	0.5
113.02444	2.9
113.09644	0.3
119.03520	1.6
120.99648	0.3
134.03705	0.4
135.04488	1.0
143.03482	0.9
156.20007	0.2
161.04555	3.2
165.17494	0.2
167.10799	0.4
169.12210	0.2
173.04530	1.3
177.12846	0.3
179.05583	1.0
179.14410	0.7
181.12395	0.2
189.77782	0.2
191.05606	3.8
195.13881	8.3
196.14473	0.7
205.12341	0.7
205.15990	0.5
210.12216	0.2
211.13330	0.5
223.13365	5.5
224.13783	0.3
228.13609	0.7
231.21179	0.5
235.08142	0.3
235.16969	0.5
239.12646	0.2
253.09270	30.8
254.09633	0.9
256.13083	0.7
265.21793	0.7
275.20145	6.2
293.21204	100.0
294.21524	5.0
294.24628	0.4
351.07193	0.4
365.79468	0.2
492.22214	0.9
529.20959	0.5
529.30939	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.1921
Annotation	Dracunculifoside F
Peak:m/z	Relative Intensity
55.01872	0.5
56.07238	0.3
57.03446	0.7
59.01374	5.2
61.98819	3.6
71.01378	5.5
71.62795	0.7
73.02954	2.3
73.38395	0.4
79.95745	0.5
80.96520	2.2
83.01398	1.2
83.05017	0.6
85.02942	3.6
87.00874	0.9
88.98789	0.5
89.02448	1.4
89.03986	0.5
91.05542	0.5
93.03447	3.4
95.01379	0.6
95.05029	0.6
96.95987	2.3
99.00888	1.1
101.02444	4.6
105.03460	0.8
107.05008	2.7
109.02898	0.7
111.04500	0.6
113.02449	2.2
117.03459	1.3
119.03458	0.5
119.05016	0.4
123.04520	0.9
125.02433	0.9
128.03513	1.1
132.02179	1.1
133.02950	24.2
134.03758	7.5
135.04518	100.0
136.04892	1.9
137.02438	1.7
139.96103	0.4
146.04637	0.5
147.04527	0.6
149.02393	0.8
151.04054	0.9
153.01918	0.5
155.03517	0.7
159.03023	0.6
161.02431	54.8
161.04582	1.5
162.02805	1.4
163.03908	0.5
172.02513	0.5
173.04561	3.0
177.01918	1.1
179.03481	61.7
180.03775	0.9
181.85390	0.4
191.05580	7.6
191.07094	0.6
195.02924	0.6
208.20305	0.4
225.00764	0.6
235.11838	1.9
239.06688	0.7
254.05728	0.4
282.05249	0.5
297.07648	0.7
301.03552	0.6
303.04395	0.5
311.11505	1.7
312.09903	0.4
355.10587	0.9
383.11261	1.4
467.15741	0.6
500.15601	0.5
521.83264	0.4
529.19263	88.4
529.26227	5.1
530.19818	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	529.1346
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	1.4
59.01379	3.1
60.42267	0.5
60.99299	0.7
61.98825	5.8
63.65920	0.4
65.63644	0.4
66.77308	0.4
67.01887	4.2
69.03454	0.8
69.76153	2.9
71.01377	4.1
73.02961	1.0
79.95712	0.7
81.03458	1.5
83.05017	1.3
83.72339	0.4
85.02949	6.2
87.00869	2.7
89.03975	0.7
93.03452	31.1
94.03799	0.5
96.96001	1.6
99.00914	0.6
99.04564	0.7
101.02472	0.8
107.05027	0.9
107.84832	0.5
109.02950	1.2
111.00869	0.7
111.04505	5.6
113.02445	1.2
117.03452	1.9
119.05017	2.3
127.04021	2.1
133.02921	2.7
134.03734	15.9
135.04521	41.5
136.04855	0.8
137.02429	6.1
149.06044	1.5
155.03505	6.4
160.01691	0.8
161.02435	8.2
163.03990	1.3
168.65160	0.5
173.04530	100.0
174.04861	1.8
175.03999	0.8
179.03484	43.0
180.03899	0.8
190.02730	1.6
191.05592	74.9
192.05949	1.7
193.05048	12.5
203.03528	1.2
218.53136	0.5
239.06735	3.2
265.07050	0.7
335.07605	1.9
349.09085	1.0
353.08719	50.1
354.09027	1.8
367.10303	46.9
368.10599	2.2
399.18524	0.9
529.13568	4.2
529.26245	0.6
530.18408	1.6
547.15112	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.1348
Annotation	Unknow
Peak:m/z	Relative Intensity
57.02607	0.4
59.01376	1.1
60.99297	0.8
64.90650	0.3
67.01875	2.4
69.03449	0.6
69.34190	0.7
69.34598	2.8
71.01373	1.7
81.03448	0.9
83.05025	0.6
85.02948	4.8
87.00875	3.7
90.01789	0.4
91.05499	0.4
93.03455	17.7
96.96002	1.3
98.51180	0.4
99.00856	0.4
101.02445	0.4
107.04993	0.9
109.02954	0.7
111.04494	4.2
117.03461	1.6
120.04129	0.4
127.04012	1.6
129.01889	0.6
133.02985	2.4
134.03740	16.6
135.04523	43.5
136.04837	0.8
137.02399	0.5
149.06088	1.1
155.03459	2.1
160.01642	1.3
161.02422	7.1
162.02841	0.4
167.03435	0.9
171.02972	0.5
173.04543	12.7
175.04004	1.2
178.02660	0.5
179.03485	37.8
180.03815	0.8
191.05598	100.0
192.05934	1.5
193.05028	14.1
231.06921	0.8
239.06627	0.8
271.56409	0.4
282.45584	0.4
335.07736	0.7
349.09232	2.4
353.08743	39.4
354.09158	1.4
365.17975	1.6
367.10294	31.5
368.10712	1.9
410.12744	0.4
529.13721	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.1348
Annotation	Unknow
Peak:m/z	Relative Intensity
55.22369	0.4
57.03444	0.6
59.01361	1.9
61.98820	0.6
67.01881	3.6
69.03443	0.7
69.61596	0.4
71.01390	2.8
71.61600	0.4
81.03435	0.5
83.05008	1.2
85.02931	0.9
87.00871	0.9
89.02438	0.5
93.03452	20.6
96.96009	1.8
101.02389	0.4
109.02938	1.1
111.00842	0.8
111.04513	5.8
113.02438	0.4
117.03452	1.5
125.59479	0.3
127.03982	0.7
132.02122	0.4
133.02956	3.0
134.03734	18.4
135.04518	10.5
137.02434	5.9
138.02818	0.3
141.53458	0.4
149.06055	1.4
155.03487	7.2
156.26115	0.3
160.01669	1.2
161.02431	10.4
162.02698	0.3
173.04527	100.0
174.04874	1.8
175.03978	1.8
178.02672	0.6
179.02014	0.7
179.03468	6.6
191.05612	2.7
193.05031	17.5
194.05292	0.5
211.03700	0.5
231.06924	0.8
238.45224	0.4
335.07700	5.9
348.69897	0.3
349.09396	1.8
353.08813	0.5
365.17685	0.6
367.10294	41.8
368.10681	2.1
529.13458	11.0
529.21106	0.5
529.26495	0.9
530.14008	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.2856
Annotation	Unknow
Peak:m/z	Relative Intensity
50.71771	0.5
50.91730	0.5
54.35602	0.5
57.03454	2.8
59.01373	13.3
61.98820	1.1
69.03436	0.9
71.01377	18.6
72.99301	5.8
73.02952	1.5
75.00868	14.7
78.95908	0.6
78.98586	2.1
79.95727	2.7
80.96513	17.7
83.01375	1.0
85.02946	22.4
87.00865	7.6
89.02440	5.5
94.98100	3.7
95.01369	6.5
99.00867	9.5
101.02423	1.1
103.00365	2.5
111.00941	0.8
113.02443	31.3
115.00355	1.9
117.01938	2.5
122.97574	1.0
125.02429	0.6
129.01927	2.2
131.03549	0.7
134.97592	0.9
148.99167	1.4
152.98602	1.7
157.01424	1.1
164.98630	3.2
175.02446	2.9
193.03497	0.7
200.44722	0.5
205.07242	2.6
206.99666	0.8
223.08191	1.2
225.00745	4.7
227.20023	1.2
231.05037	1.0
249.06116	8.1
267.07208	7.4
277.21692	50.5
278.22012	2.8
299.04333	0.9
335.23492	0.6
467.26913	0.7
509.27286	1.7
527.28882	100.0
528.29382	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	527.2987
Annotation	Unknow
Peak:m/z	Relative Intensity
52.53845	34.3
59.01384	62.0
61.98823	64.7
71.62696	41.0
71.63082	45.2
80.96516	39.6
84.49291	35.5
194.18225	33.8
241.94621	41.8
255.23274	100.0
491.38181	54.2
498.70920	39.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.2858
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03408	1.9
59.01378	14.5
61.98786	1.0
68.99791	0.9
69.74654	1.0
69.75065	2.8
71.01381	14.7
72.99307	4.9
73.02914	1.0
73.69080	0.6
75.00869	16.0
80.23502	0.7
83.01346	0.9
83.04957	0.7
85.02947	17.7
87.00875	5.6
89.02405	2.8
95.01392	3.6
97.02912	0.7
99.00891	8.2
101.05698	0.6
103.00358	1.5
113.02444	20.7
115.00294	1.8
117.01935	3.5
129.01881	1.5
154.32619	0.8
157.00015	0.7
157.01347	0.8
160.12653	0.7
175.02501	3.7
175.03691	0.9
190.01091	0.8
205.07127	0.8
231.04907	2.4
238.31340	0.7
249.06151	18.1
267.07077	3.2
277.21686	60.9
277.96780	0.6
278.21994	3.3
405.31186	1.8
423.32114	1.2
462.58405	0.8
463.31805	1.7
465.33588	9.0
467.26337	1.0
509.26886	2.7
509.32663	1.8
527.28052	100.0
528.28455	9.2
528.34924	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.2524
Annotation	chaetoglobosin C
Peak:m/z	Relative Intensity
59.01362	1.5
60.93598	0.5
61.73447	0.4
61.98822	1.1
64.25552	0.4
68.78040	0.4
71.01376	6.1
71.45246	0.5
71.45587	0.5
73.02938	1.2
78.95874	0.6
78.98591	5.0
79.95728	7.6
80.96510	51.8
81.03471	1.2
85.02953	3.7
87.00864	2.3
94.98085	12.5
95.01343	0.6
96.96005	1.7
97.02943	1.4
99.00859	0.9
101.02448	1.5
106.98080	2.4
113.02407	0.5
119.65281	0.4
122.97553	2.0
123.68526	0.5
125.02455	2.8
127.03978	0.7
133.66006	0.5
134.97588	3.4
136.99124	1.5
148.99112	5.3
152.98619	4.5
164.97275	0.9
164.98604	11.1
181.31374	0.4
182.32127	0.5
191.01869	0.5
199.48964	0.5
206.99657	2.3
225.00711	13.4
227.20151	2.5
255.80194	0.4
277.00473	0.5
277.21686	0.7
290.08490	0.5
291.19476	0.6
299.04465	3.6
430.02695	0.5
467.27579	0.5
527.25256	100.0
528.25543	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	527.1488
Annotation	Unknow
Peak:m/z	Relative Intensity
53.44164	0.2
53.93462	0.2
56.98038	0.6
59.01375	3.0
61.98818	0.8
67.01888	0.5
69.44473	1.6
69.94308	0.2
71.01376	0.4
73.08250	0.2
74.47020	0.2
78.95892	0.9
80.98046	0.3
82.99603	0.6
85.02922	0.4
93.03439	1.3
94.02988	1.0
95.01402	0.6
96.96030	0.5
98.99079	1.8
104.42733	0.3
108.02184	0.6
108.16121	0.2
108.97527	2.7
109.02922	0.6
110.99097	2.2
111.00890	0.6
113.02441	0.2
117.03455	0.2
123.99832	0.4
125.97790	2.2
126.98589	14.2
127.98903	0.4
130.04240	0.3
132.53806	0.2
138.98589	10.2
141.03490	0.2
143.05006	0.6
145.02936	0.7
149.00650	2.1
151.02191	1.1
152.96513	0.5
154.98077	59.4
155.98390	0.8
158.03728	0.4
159.04509	0.6
163.02272	0.3
173.04573	0.8
175.02206	1.8
177.00093	0.4
185.02419	0.3
186.03214	2.6
187.03979	0.7
191.01706	0.8
191.05589	0.7
201.00214	0.3
203.01692	0.5
213.01891	0.6
214.02716	3.4
215.03548	0.3
218.00424	0.5
219.01192	11.4
220.01492	0.4
245.99893	0.3
247.00697	8.3
248.01059	0.4
250.88103	0.2
262.02979	1.3
263.00186	0.5
288.04572	3.9
313.24579	0.2
317.07043	0.3
382.07898	0.3
383.08279	82.7
384.08585	5.0
394.06677	0.2
398.10620	100.0
399.10956	6.1
467.30084	0.3
527.19568	0.5
527.29749	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.1033
Annotation	Unknow
Peak:m/z	Relative Intensity
55.57051	0.4
59.01373	1.1
71.01366	2.1
71.60771	0.6
72.11555	0.4
74.93898	0.4
75.51508	0.4
78.95887	1.3
85.02936	6.3
87.00861	1.7
89.02435	0.6
89.79850	0.4
93.03445	2.5
96.96042	0.5
96.96955	1.0
109.02969	0.8
110.98493	0.8
111.04514	1.0
111.47544	0.4
113.64832	0.4
127.04007	1.3
133.02940	0.9
135.04536	2.5
142.99843	1.0
147.02933	0.7
161.02423	1.7
173.00946	0.7
173.04578	2.0
179.03500	1.9
184.91760	0.8
184.98564	1.2
191.05592	100.0
192.05943	1.9
330.97339	0.4
341.10776	1.0
353.08710	12.4
354.08768	0.9
391.04352	1.6
527.11902	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.1488
Annotation	Unknow
Peak:m/z	Relative Intensity
51.82686	0.3
56.98015	0.4
57.62322	0.2
59.01378	2.0
61.98784	1.1
67.01831	0.3
71.61772	0.4
80.97998	0.9
82.99587	0.3
85.02924	0.3
89.02362	0.3
93.03382	0.9
94.02935	0.3
95.01350	0.5
96.95976	0.7
98.99043	0.8
101.02463	0.3
108.02132	1.0
108.96841	0.4
108.97526	6.2
109.02957	1.9
110.99036	1.2
111.00825	0.8
117.03416	0.6
123.04502	0.3
123.99863	1.4
124.97065	0.4
125.97803	3.7
126.98595	6.4
138.98593	4.6
140.96465	0.5
141.03317	0.3
143.04936	1.1
145.02963	1.4
147.02596	0.4
149.00661	4.0
151.02203	2.7
152.96469	0.7
153.97231	0.6
154.98074	29.7
155.98335	0.6
158.03673	1.1
159.04434	1.5
163.02122	0.4
173.04398	0.4
174.01413	0.5
175.00980	0.3
175.02209	3.3
177.00084	1.1
185.02379	1.3
186.03206	5.3
187.03850	1.1
191.01630	1.3
191.05524	1.1
201.00102	0.5
201.05649	0.3
203.01593	1.1
203.03354	0.3
204.99411	0.4
213.01834	1.0
214.00890	0.4
214.02701	5.8
215.03169	0.6
219.01178	23.5
220.01404	0.8
238.20265	0.3
243.02974	0.4
247.00668	18.3
248.00986	0.7
262.03040	2.5
263.00058	1.0
271.02377	0.9
288.04413	0.3
333.66742	0.3
383.08276	71.4
384.08566	4.4
394.06891	0.7
398.10617	100.0
399.10883	6.7
452.21643	0.3
527.30017	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	527.103
Annotation	Unknow
Peak:m/z	Relative Intensity
57.89749	0.4
59.01362	1.8
69.65318	0.4
71.01396	1.8
71.60630	0.6
72.99310	0.5
78.95909	1.0
80.38410	0.3
85.02935	5.1
87.00879	0.9
89.02445	0.5
93.03471	3.0
96.96957	0.9
109.02971	0.4
111.04492	1.2
119.03487	0.3
121.88435	0.4
127.04012	1.2
129.05634	0.3
133.03026	0.4
135.04486	2.1
137.02493	0.5
142.99863	0.7
155.03575	0.5
161.02454	1.9
167.47192	0.3
169.24759	0.3
171.02921	0.4
173.00923	0.7
173.04552	3.3
179.03520	2.0
184.98538	0.9
191.05598	100.0
192.05949	2.3
198.41975	0.4
216.98958	0.4
221.47856	0.4
330.93372	0.3
341.10800	1.2
353.08749	14.3
353.13074	0.8
354.08987	1.1
391.04303	1.1
482.80917	0.4
527.12207	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.096
Annotation	Unknow
Peak:m/z	Relative Intensity
57.16417	2.1
59.01374	52.3
60.01705	3.6
61.98826	14.0
64.40723	1.9
68.02534	20.9
71.01385	12.9
71.61909	2.5
72.72961	1.8
72.99281	2.5
73.02938	5.9
80.86013	1.9
83.01405	2.8
83.05023	3.0
85.02952	4.5
87.00847	3.5
89.02433	3.0
91.01890	14.8
93.03438	5.8
96.95995	4.9
101.02425	8.0
108.02161	12.2
109.02914	5.4
110.04501	1.7
113.02429	4.2
121.02941	2.5
123.00871	5.0
125.09811	1.9
128.03534	3.9
135.00859	13.1
137.02428	6.0
152.01128	13.6
161.02382	1.9
171.10136	2.9
173.04507	7.5
191.05629	19.6
209.11826	9.3
211.78946	2.0
225.11267	2.7
232.02177	2.2
243.06593	100.0
244.06856	4.0
291.19421	2.0
342.71906	2.1
445.69684	3.9
447.12927	24.9
511.19971	5.3
539.75995	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.0956
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	19.7
61.98822	5.2
62.65137	1.1
65.03976	1.4
71.01369	3.1
78.95898	2.2
79.95720	1.9
85.02940	3.4
87.00859	2.8
88.98800	1.3
89.02444	1.6
91.01891	30.4
93.03451	3.9
96.96029	6.0
101.02449	2.6
106.27458	1.1
109.02954	18.9
113.02398	1.4
118.06039	1.1
123.04535	2.7
125.02444	2.0
128.45821	1.4
130.65762	1.3
133.02934	2.4
135.00876	87.2
135.04465	3.4
137.02434	5.4
149.02394	2.8
151.03955	1.3
153.01927	58.8
153.71016	1.2
161.02429	4.2
163.04021	1.3
172.39520	1.2
173.04590	5.5
173.05807	1.3
177.01872	2.8
189.01859	1.5
191.05620	18.6
193.05144	1.4
229.52640	1.6
279.04959	2.2
305.21179	2.1
339.07153	100.0
340.07440	4.6
346.20245	1.8
392.80051	1.3
447.06879	3.1
467.26443	2.0
527.18921	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.3346
Annotation	Unknow
Peak:m/z	Relative Intensity
50.95568	7.8
51.94839	7.7
59.01353	16.3
61.98819	35.4
64.65432	8.7
78.95894	14.8
96.96013	11.2
100.94849	7.9
116.50788	8.0
141.81001	8.3
152.99570	16.6
155.30995	9.0
171.10258	24.5
179.10626	9.1
191.05647	8.4
195.13702	12.5
201.11263	9.8
209.11794	24.3
224.13010	9.9
287.94766	9.5
289.18164	14.8
296.22870	11.0
297.23441	25.7
525.26587	100.0
525.34540	83.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	526.0987
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	2.6
61.98825	10.0
64.15189	0.5
70.62486	1.5
71.01365	1.3
79.84190	0.5
93.03429	1.1
96.95986	0.9
101.02458	0.6
107.01408	0.7
108.02192	0.7
109.02984	2.9
122.02483	1.8
123.00820	0.5
125.02441	1.3
133.03008	1.1
135.04491	2.0
137.02448	0.7
146.03635	0.9
147.04590	0.5
149.02451	0.9
151.00334	1.9
153.01823	0.5
161.02397	3.3
163.00418	1.0
163.04024	0.9
165.01941	0.7
171.04440	0.6
173.04559	1.8
174.03206	1.4
179.03468	1.5
189.01862	1.4
190.02618	1.1
191.05605	3.5
203.03452	0.8
213.01820	0.5
215.03413	1.5
227.03441	2.2
229.01511	0.7
229.05052	1.3
230.02153	1.2
242.02081	0.6
243.03001	2.3
244.03818	0.6
245.04584	0.6
256.03607	1.0
258.01660	36.8
259.02411	16.8
260.02866	0.5
263.37247	0.5
271.02460	23.2
272.03186	13.5
273.04010	11.8
274.04373	0.6
283.02466	1.5
284.03204	0.6
285.04037	8.0
298.01080	1.2
299.02011	0.6
301.03510	100.0
302.03879	4.0
304.02298	1.9
311.01913	1.0
313.03491	8.8
313.07074	0.4
329.03012	0.6
331.04562	53.8
332.04968	3.2
343.04605	1.5
343.13028	0.6
361.05380	0.6
363.35931	0.5
364.07657	1.0
385.05676	2.7
403.06674	4.0
463.15460	0.9
525.20544	0.5
526.09851	25.9
526.17499	0.8
527.10071	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.3347
Annotation	Unknow
Peak:m/z	Relative Intensity
55.64640	12.0
62.38163	12.6
71.37865	22.9
85.42281	10.9
88.16644	12.5
104.02753	11.3
155.84010	12.6
163.89113	12.2
272.64398	13.1
335.70630	13.2
442.30893	12.5
487.34198	38.6
525.33429	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	525.3347
Annotation	Unknow
Peak:m/z	Relative Intensity
52.88520	6.3
57.64653	5.5
62.80204	5.5
62.83921	6.1
67.17327	6.0
70.65968	15.2
70.98358	5.6
84.75032	6.4
96.96001	9.2
329.82306	5.8
346.67789	5.9
357.82788	5.9
525.33441	100.0
526.33691	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	525.3067
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	0.6
55.06253	0.4
58.21772	0.4
59.01376	100.0
60.01707	0.8
61.98829	5.7
68.02541	3.5
68.99574	1.5
69.64075	3.1
71.01377	6.1
72.99312	0.5
73.02950	2.6
81.54545	0.4
83.01382	0.8
85.02932	2.9
86.84189	0.5
87.00896	1.0
87.15475	0.4
89.02447	1.1
93.03449	0.6
95.01386	0.9
96.96027	1.0
99.00905	0.6
99.04513	0.5
101.02435	4.3
112.98565	0.7
113.02408	3.1
115.86885	0.4
117.51619	0.5
119.03448	0.6
119.44253	0.5
121.15022	0.4
125.02496	0.6
128.88100	0.5
148.70230	0.4
150.75414	0.5
152.22336	0.4
161.04570	2.2
168.89661	0.5
173.04582	0.9
191.05664	1.3
209.07390	1.5
257.99100	0.5
258.01819	1.4
271.02515	0.9
283.69720	0.5
289.18106	1.2
301.03491	2.7
331.04721	1.7
383.12650	1.0
401.14243	0.5
450.17032	0.8
461.81046	0.5
465.28391	0.8
483.29764	1.2
507.38251	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	525.2833
Annotation	Unknow
Peak:m/z	Relative Intensity
54.07413	27.4
54.47470	34.3
56.54364	35.6
61.98816	64.4
96.95992	80.1
97.42377	31.9
108.45538	30.2
212.96432	32.0
253.21764	76.3
467.86334	34.9
489.35391	100.0
514.48541	33.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.27
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25732	0.7
51.94026	0.7
55.01889	0.8
55.99520	0.6
57.01741	0.6
57.03440	1.2
58.00600	2.5
59.01378	100.0
61.05859	0.6
61.98834	0.9
69.03477	0.7
71.01380	59.7
71.57914	0.8
71.58276	0.7
72.99320	3.4
73.02966	3.4
79.95732	1.6
83.01407	2.9
85.02952	11.9
85.06602	1.7
87.00874	4.5
87.06780	0.6
89.02442	80.2
90.02765	0.8
93.03481	1.3
95.01391	3.7
96.96014	3.1
99.00906	1.1
101.02441	37.0
102.11739	0.6
103.04033	0.8
113.02448	28.8
115.03999	0.8
119.03501	36.0
123.08208	0.6
125.02476	1.9
126.20297	0.6
131.03520	4.5
135.04573	1.6
143.03497	11.0
149.04567	2.8
159.03056	0.9
161.02469	2.0
161.04550	19.7
161.05853	1.3
173.04602	0.9
179.05602	49.2
180.05966	1.0
191.05644	3.2
197.11894	2.9
227.03568	1.3
231.07063	1.4
231.57146	0.8
239.06679	5.9
239.56868	1.4
255.02997	1.4
271.02432	0.8
283.02496	13.4
284.02957	0.6
303.19708	1.6
318.71558	0.7
365.18445	1.0
399.18320	1.6
403.06891	3.7
405.06088	1.1
465.24899	47.5
466.25443	3.9
493.18216	1.2
525.10901	2.5
525.23322	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.1032
Annotation	2'-Benzoylmangiferin
Peak:m/z	Relative Intensity
53.24949	0.2
59.01377	0.5
69.94025	0.9
71.01386	0.3
81.03384	0.3
107.01377	0.5
107.83041	0.2
108.02185	0.5
109.02943	1.6
111.70921	0.3
114.10993	0.3
121.02931	1.3
123.00803	0.4
125.02436	1.1
135.51015	0.2
135.80171	0.3
149.02370	0.4
151.00352	2.2
159.04514	0.5
161.02443	1.3
163.00319	0.6
170.03777	0.3
173.06050	0.3
174.03185	0.8
177.01949	0.4
179.03464	0.4
187.03947	0.6
191.05661	0.3
199.03918	0.3
199.52756	0.3
201.05498	0.3
202.02679	0.6
203.03488	0.8
205.01633	0.4
213.01955	0.6
214.02692	0.5
215.03467	1.7
227.03438	1.7
229.01497	0.6
229.04979	1.1
230.02150	1.0
231.02930	0.4
241.05013	0.4
243.02948	1.6
244.03624	0.5
245.04324	0.4
255.03099	0.6
256.03690	0.4
257.04535	0.6
258.01648	41.8
258.37720	0.3
259.02393	15.2
260.02835	0.5
271.02438	22.2
272.03192	11.9
273.04010	12.5
274.04419	0.4
283.02444	1.6
285.04007	7.6
298.01053	0.9
299.01971	0.7
301.03491	100.0
302.03842	4.6
304.02231	2.9
311.02054	1.2
313.03473	9.0
314.04025	0.4
325.03439	0.5
329.02945	0.9
331.04538	58.8
332.04916	2.5
343.04260	1.3
361.05582	0.8
367.04541	0.5
385.05573	2.1
399.10648	0.3
403.06546	2.8
525.10309	27.6
526.10602	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	524.1982
Annotation	Unknow
Peak:m/z	Relative Intensity
52.41092	0.1
59.01370	1.7
61.98826	100.0
67.82750	0.1
68.59682	0.1
70.90338	0.3
71.01385	0.3
73.02944	0.2
78.95912	0.2
83.01377	0.2
83.30531	0.1
85.02937	0.2
88.03733	0.1
89.02440	0.2
93.03442	0.2
96.96136	0.1
101.02457	0.3
125.25803	0.1
139.00053	0.2
152.99629	0.2
160.41220	0.2
163.38147	0.2
173.04501	0.2
185.05867	0.1
191.05611	0.8
245.39487	0.1
258.01489	0.2
271.02356	0.2
284.83472	0.1
301.03595	0.6
319.22733	0.2
331.04593	0.3
463.27222	0.4
464.27771	0.4
481.27951	0.2
482.28738	0.3
523.28827	0.8
524.29449	1.9
525.10498	0.2
530.19653	0.2
554.89124	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	524.2037
Annotation	Unknow
Peak:m/z	Relative Intensity
54.95677	0.6
59.01381	6.6
61.98830	10.2
71.01373	3.9
72.99306	4.2
73.02995	1.2
80.05116	1.1
83.01435	0.7
84.04607	0.7
85.02993	1.6
86.03316	0.6
89.02502	1.8
90.07806	0.6
93.03506	1.5
94.06696	1.4
96.96068	2.6
101.02514	2.3
106.06684	0.9
107.03844	0.8
108.04552	3.3
108.08252	0.8
109.03017	1.2
110.06123	5.9
113.02561	0.7
118.06703	0.7
120.04604	0.6
121.05388	1.2
122.06127	10.6
122.06918	0.8
132.04578	0.8
133.03000	1.7
134.06136	5.9
135.04596	2.9
136.07680	5.2
137.02496	1.2
146.06219	2.1
148.07758	2.0
149.04625	0.7
152.07175	10.8
159.07001	0.8
160.04091	1.1
161.02461	3.8
161.04820	1.5
162.05659	1.3
173.04688	2.4
174.05695	2.1
179.03581	1.9
180.06654	14.0
186.05721	1.0
187.06288	1.3
188.03787	0.7
188.07129	8.8
190.05174	0.7
191.05576	9.0
192.06180	0.8
201.10406	1.3
203.05873	0.7
203.11980	1.2
209.11900	2.2
210.07892	0.7
210.12189	1.6
213.10387	1.3
215.12000	2.0
220.10027	0.6
223.08768	1.4
224.09558	2.1
224.60251	0.6
225.10344	1.8
227.12016	0.7
236.07056	0.7
236.09521	1.2
237.10268	3.7
238.07423	1.9
238.11142	1.5
239.08269	1.5
239.11855	11.2
239.14026	0.9
240.12640	1.0
241.09808	1.0
241.13596	2.3
242.07011	0.7
249.10165	0.8
250.07501	1.3
251.08173	4.0
251.11836	3.5
252.09062	1.4
252.12527	0.9
253.09715	1.5
257.72552	0.7
258.07123	0.6
263.11963	2.5
264.09109	2.7
265.09805	13.1
266.10614	2.9
267.11362	5.1
268.08624	0.8
268.12057	0.6
279.07843	3.5
279.11475	6.8
280.08670	0.9
280.12164	4.2
280.14728	0.6
281.09515	1.3
281.12817	0.9
283.10895	4.5
284.11523	0.6
289.10010	1.6
290.10645	2.6
291.08472	0.7
291.11313	3.2
292.08661	1.6
293.09293	10.9
294.09811	0.8
295.10968	1.2
298.02231	0.7
298.09656	1.6
306.10373	1.1
307.10852	17.5
308.11633	33.8
309.12338	2.4
311.10193	3.6
312.11090	1.9
340.10623	14.9
341.11099	0.9
344.14429	0.6
351.09964	1.3
352.10696	2.6
353.08759	0.7
362.18808	0.8
388.16571	1.8
406.17618	1.5
418.17709	4.2
430.17691	28.6
430.23550	1.6
431.18033	2.2
448.18744	47.2
449.19406	3.1
450.16751	0.8
456.15997	1.0
461.14078	0.7
462.16690	1.2
474.16815	5.3
478.21655	3.6
492.17752	100.0
493.18008	7.8
506.19772	2.9
517.45642	0.8
524.20563	46.5
525.20587	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	523.319
Annotation	Unknow
Peak:m/z	Relative Intensity
55.18289	19.7
61.98838	100.0
71.62090	24.4
71.62433	26.0
96.40280	18.4
96.96012	56.1
104.16542	20.7
115.79958	21.9
116.79702	19.9
191.05504	36.6
446.66092	23.0
472.30685	22.2
523.31281	57.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.3482
Annotation	Unknow
Peak:m/z	Relative Intensity
52.62856	0.3
54.18130	0.3
55.01867	1.3
57.03445	2.2
58.00581	1.2
58.43472	0.3
59.01376	27.3
60.01684	0.4
61.98819	1.3
68.37216	0.3
69.03437	0.6
71.01377	28.3
71.63006	0.4
72.01671	0.3
72.99301	2.8
73.02945	5.4
74.03284	0.3
75.00871	0.5
79.95720	0.5
83.01383	2.9
84.02160	0.4
85.02943	13.4
86.03275	0.4
87.00868	1.6
87.04518	0.6
89.02438	13.0
93.03455	1.3
95.01385	2.2
95.63144	0.3
96.95997	3.1
97.02965	0.6
99.00869	2.0
101.02438	16.3
102.02766	0.3
102.98032	0.3
107.03760	0.8
109.01666	1.5
109.02924	0.6
111.00885	1.7
113.02441	11.3
114.02689	0.3
119.03497	4.9
119.04963	0.4
122.06108	4.2
123.06418	0.3
125.02431	0.9
129.01923	0.8
129.07098	0.4
132.04568	0.7
133.02917	0.9
134.06100	1.2
135.04524	2.2
137.02444	0.8
137.09668	0.4
143.03477	0.7
143.10730	0.3
150.05592	0.3
151.04103	0.5
152.07169	6.6
155.10794	0.4
157.12381	0.7
158.02489	0.3
159.03043	1.5
160.03984	0.4
161.02440	2.2
161.04521	3.5
161.97794	0.3
162.02823	0.4
171.13893	0.7
173.04524	1.3
176.03520	0.4
179.03510	0.9
179.05614	1.0
187.13356	0.9
189.38763	0.3
191.01968	0.7
191.05582	3.2
195.82378	0.3
201.14923	1.0
227.08006	0.3
239.06599	1.9
239.11888	1.9
239.56885	0.5
253.06078	0.4
265.09760	0.3
267.07745	0.4
280.08374	0.6
283.10822	4.6
295.10828	1.2
299.80911	0.4
315.25522	0.5
319.12851	1.1
359.27856	1.3
361.29565	15.1
362.29916	1.0
365.17859	0.3
399.18433	0.4
411.72296	0.3
448.18817	1.6
464.17828	0.3
480.21399	0.3
491.13620	0.6
492.17712	2.6
523.34790	100.0
524.20361	16.7
524.35016	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	523.291
Annotation	Carthamosterone B
Peak:m/z	Relative Intensity
50.76696	0.1
59.01378	0.6
61.07014	0.1
69.98154	0.5
71.01373	0.5
73.02941	0.6
75.39453	0.1
79.18955	0.1
81.59007	0.1
83.01360	0.1
96.96024	0.1
98.19907	0.1
101.02444	0.2
104.24803	0.1
166.64474	0.1
173.80399	0.1
174.16042	0.1
191.05659	0.2
276.58704	0.1
277.25485	0.1
319.22745	100.0
320.23087	6.3
320.26917	0.3
333.24454	0.3
523.28430	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.3194
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	15.1
61.98831	33.7
62.59835	11.2
70.04146	44.3
96.96024	32.3
96.96584	10.1
98.20672	10.3
109.53555	9.3
169.12326	25.9
171.10254	25.4
213.11333	18.9
215.58237	10.5
231.12450	11.0
283.79388	9.5
309.20828	20.8
319.32220	9.2
388.74561	11.5
444.70203	10.6
487.34552	15.7
523.31787	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	521.3478
Annotation	Lycernuic acid C
Peak:m/z	Relative Intensity
57.03444	1.8
59.01371	2.2
64.21822	0.3
69.61102	2.0
71.01376	7.9
73.02941	17.6
83.04962	0.3
83.37522	0.3
85.02941	0.8
98.19881	0.6
103.03983	1.5
133.02957	2.4
134.03709	0.9
135.04515	3.6
137.02408	0.5
161.02429	8.8
179.03458	1.7
191.05682	0.4
200.12164	0.3
285.20740	0.5
317.21094	0.4
332.16425	0.3
339.26950	0.4
341.28415	0.4
364.45602	0.3
373.30951	0.7
393.31482	0.8
395.29288	0.4
399.32565	0.3
411.32599	5.5
423.32187	0.4
429.22876	2.9
429.33505	0.5
430.22733	0.5
447.24088	1.4
477.35776	4.2
503.33652	0.7
521.27661	8.9
521.34705	100.0
522.28308	0.5
522.35077	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	523.267
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03410	0.9
59.01357	1.5
61.98807	1.4
70.89581	1.4
75.38405	0.5
78.95899	24.6
80.61253	0.7
80.96490	1.0
86.93532	0.6
88.42963	0.7
96.95981	2.0
96.96960	2.0
113.09691	2.1
145.02937	2.3
152.99576	38.3
162.39694	0.6
171.00647	3.4
171.10225	0.9
179.14352	1.4
182.28531	0.7
191.05688	1.0
195.13876	17.5
227.03299	3.7
233.22081	0.7
245.04373	1.0
251.23677	0.7
252.45592	0.6
277.21664	18.7
295.22751	65.7
296.23160	2.9
319.22653	0.7
396.03448	0.7
431.22238	1.7
505.27759	1.2
523.26672	100.0
524.26807	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	521.3332
Annotation	Unknow
Peak:m/z	Relative Intensity
50.16028	0.4
55.01865	1.4
57.03444	3.1
58.00588	0.6
59.01376	36.7
60.01685	0.4
61.98820	1.1
69.03435	0.7
69.46016	3.0
71.01379	31.2
72.99301	2.1
73.02938	8.0
75.00885	1.0
78.95908	0.8
79.95733	1.0
83.01378	4.0
83.04994	0.6
84.02171	0.4
85.02949	15.4
87.00874	2.3
87.04476	0.7
89.02438	13.3
93.03435	2.0
93.07093	1.4
95.01387	3.0
96.96008	20.7
96.96964	1.2
97.02943	0.7
99.00864	3.2
101.02436	18.9
102.02757	0.7
109.02927	1.1
111.00855	1.8
111.08109	0.4
113.02441	13.0
119.03500	4.0
121.02937	2.2
121.78343	0.4
123.04504	0.6
125.02433	1.5
127.11285	0.5
129.01920	0.7
131.03452	0.7
132.94415	0.4
133.02983	0.5
135.04491	1.8
137.02441	2.3
139.04010	0.6
143.03474	1.3
147.04494	0.5
149.02441	0.5
150.03194	0.8
151.03972	0.6
152.01157	0.6
153.01888	1.5
159.03024	1.9
159.04318	0.5
161.02385	1.4
161.04565	5.8
163.03966	0.8
169.12294	0.4
171.13905	3.3
173.04564	1.7
173.05919	0.5
175.04034	0.4
175.07651	0.5
179.03461	0.9
179.05611	0.8
179.30130	0.4
187.04028	0.8
187.13376	1.2
189.63255	0.4
191.01970	1.1
191.05588	9.4
192.05998	0.9
201.14922	1.3
211.04123	0.4
230.15338	0.6
245.04460	0.6
255.03036	0.9
256.03525	0.4
273.04028	0.5
285.03995	0.4
290.62622	0.4
333.19110	4.0
344.01605	0.4
359.15125	1.0
359.28003	10.4
360.28537	0.7
373.22079	1.7
399.18802	0.5
399.23825	1.7
431.17178	0.9
441.25082	1.4
461.31790	0.8
491.32599	1.0
503.13541	0.9
503.32346	0.6
521.33276	100.0
522.33551	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	521.3115
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01858	0.5
56.10098	0.2
56.11721	0.3
57.03442	0.7
59.01377	100.0
60.01712	0.6
61.98833	0.8
67.01900	0.6
69.24432	2.8
71.01379	6.7
72.32840	0.2
72.99302	0.5
73.02944	2.2
75.00897	0.4
78.95914	0.5
81.03477	0.9
83.01385	1.4
85.02953	4.1
87.00881	0.9
89.02446	0.6
93.03452	1.6
95.01389	0.4
96.96021	1.0
97.02979	0.6
99.00901	0.8
101.02431	4.6
107.01398	1.2
108.02203	0.4
109.02961	0.7
111.00903	0.3
111.04529	0.5
113.02423	2.1
119.03537	0.5
119.05045	0.6
123.00916	0.5
133.02985	0.5
135.04538	1.0
137.02487	0.9
143.03514	0.4
151.00394	0.9
159.03036	0.3
159.04512	0.7
161.02489	0.7
161.04543	2.0
163.04031	0.3
173.04533	1.3
175.03987	0.4
177.01863	0.4
187.04031	0.5
191.05614	5.5
191.07185	0.6
197.11778	0.4
209.11888	0.7
211.13432	0.5
217.08675	0.4
242.05855	3.7
257.08188	8.2
258.08652	0.4
260.69702	0.3
273.20847	0.6
283.13666	0.3
315.19626	1.0
317.14078	0.3
317.21091	2.0
365.14197	0.4
397.16656	0.7
415.16541	0.4
417.28363	0.3
461.24814	0.4
479.30280	4.3
503.13306	0.3
505.22107	1.1
505.72241	0.3
521.21423	0.4
521.33929	2.6
522.25336	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.2598
Annotation	Platanionoside I
Peak:m/z	Relative Intensity
55.01878	2.4
57.03444	1.7
58.00586	1.5
59.01376	37.5
60.01701	0.3
61.98822	0.3
68.89032	0.2
69.03450	0.9
71.01379	37.3
71.04997	0.2
72.01713	0.3
72.99310	1.7
73.02943	12.4
75.00861	1.1
81.03434	0.5
83.01389	4.4
84.02153	0.2
85.02949	11.4
86.00102	0.2
86.03349	0.2
87.00871	2.4
88.98810	0.2
89.02439	29.5
90.02737	0.3
93.03467	0.4
95.01388	2.7
96.96010	0.3
97.02941	1.7
99.00878	9.4
99.04526	0.5
101.02439	28.0
102.02784	0.3
106.60889	0.2
109.02965	0.7
111.00875	0.8
113.02440	13.1
115.04014	1.4
116.05083	0.3
118.92921	0.2
119.03495	7.8
123.04511	0.3
125.02442	2.9
127.04022	0.2
129.01964	0.3
131.03488	3.7
135.04488	0.4
137.02425	0.4
139.00293	0.2
139.55247	0.2
143.03474	1.8
149.04549	6.4
149.05783	0.3
159.02980	1.2
160.04008	0.4
161.02380	0.5
161.04546	6.9
167.03528	0.3
172.04042	0.3
172.53683	0.2
173.04594	0.5
179.05605	2.9
190.92149	0.2
191.05579	3.5
192.05847	0.2
204.06586	0.5
209.15468	0.5
215.05553	0.3
221.06639	0.3
227.16588	0.5
233.06665	2.0
248.05771	0.2
251.07661	0.4
253.13512	0.3
281.09161	0.3
293.08740	1.5
295.10770	0.2
297.12424	1.3
315.08356	0.2
325.12051	0.3
355.12991	2.6
371.20731	0.9
389.21771	17.3
390.22159	1.0
399.11948	0.7
401.13333	0.4
431.14545	6.2
432.14694	0.4
441.16190	0.3
443.14413	0.5
461.15448	0.4
485.15018	0.2
503.16495	0.3
503.24561	0.9
521.25958	100.0
522.18903	0.3
522.26245	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	521.2598
Annotation	Unknow
Peak:m/z	Relative Intensity
51.04532	0.2
54.76876	0.3
55.01871	1.9
57.03440	1.5
58.00587	1.0
59.01376	21.0
61.98824	0.8
66.91645	0.3
69.03452	0.9
71.01377	31.2
71.68746	0.3
72.01724	0.5
72.99304	1.6
73.02940	9.8
75.00880	1.2
81.03454	0.6
83.01383	4.2
85.02941	12.4
86.00107	0.3
87.00864	2.0
88.98811	0.3
89.02437	16.2
93.03461	1.7
95.01391	2.1
95.05025	0.3
96.96013	2.3
97.02940	1.8
99.00876	6.8
99.04491	0.5
101.02438	23.2
102.02823	0.4
109.02965	1.7
111.00879	1.1
111.20222	0.2
113.02440	11.1
115.00362	0.6
115.03996	1.5
117.03424	0.4
119.03506	3.4
119.04991	0.4
121.02935	0.3
123.04530	0.7
125.02435	3.6
127.04053	0.3
128.03539	0.4
129.01939	0.6
131.03488	1.9
133.02968	2.3
133.06508	0.2
134.03757	0.3
135.03593	0.4
135.04523	4.6
136.04865	0.3
137.02458	1.1
143.03503	1.4
143.04468	0.3
145.02946	1.8
147.11807	0.7
149.02391	0.5
149.04538	2.5
149.05945	0.4
150.03192	0.9
151.03951	0.5
153.01958	1.8
155.03633	0.2
159.01880	0.3
159.02940	1.5
161.02457	6.5
161.04524	5.2
162.02763	0.4
163.03903	0.5
165.05548	0.9
173.04544	1.4
174.01631	0.4
174.05405	0.3
175.02538	0.3
175.03955	0.4
179.03517	1.4
179.05550	0.9
182.05728	0.4
187.07587	0.3
191.05592	7.1
192.05917	0.4
197.08124	0.5
200.25633	0.2
204.06569	0.4
208.03752	0.4
209.15381	0.4
221.04601	0.5
223.06071	0.5
227.16466	1.2
233.06581	1.3
251.07726	0.3
273.07602	0.6
289.07129	0.4
293.08786	0.8
294.48212	0.2
297.06116	0.9
297.12448	0.8
307.08249	1.1
319.19019	0.3
323.07626	1.5
325.11823	0.3
352.61954	0.3
355.12985	1.0
387.02374	0.3
389.21768	21.0
390.22125	1.4
399.11942	0.3
401.13712	0.4
431.14435	3.0
459.13031	1.3
477.21411	0.3
485.16119	0.3
512.12970	0.4
521.25922	100.0
522.26294	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	521.166
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	2.3
61.98818	0.7
63.13486	0.2
64.45084	0.2
69.45055	1.9
71.01381	2.3
73.02927	0.8
79.95721	1.0
83.01379	0.3
85.02958	1.4
89.02428	0.4
93.03452	30.9
93.95693	0.3
94.03767	0.3
95.95196	0.4
96.96015	1.5
99.00841	0.3
101.02426	1.6
107.32887	0.2
113.02451	0.8
125.03343	0.2
133.02875	0.3
135.04529	0.9
137.02434	100.0
138.02792	2.5
143.03459	0.2
149.46385	0.3
161.02403	0.5
161.04517	0.6
173.04491	0.2
179.03500	0.7
191.05594	0.8
231.06854	0.3
239.06702	8.4
239.56821	2.0
240.06618	0.5
254.49570	0.2
365.18109	0.4
368.95636	0.2
381.17441	0.9
399.18369	2.7
400.18704	0.7
439.72845	0.3
477.12790	0.4
477.21286	0.7
520.33569	0.3
521.16516	7.1
521.33191	2.5
522.16785	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.1287
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	0.8
57.03445	0.9
58.00593	1.4
59.01377	39.9
61.98842	3.6
70.97804	0.7
71.01381	31.4
71.62563	0.9
72.99287	3.4
73.02933	4.3
73.70643	0.6
81.81129	0.7
83.01381	2.2
85.02944	7.5
86.03827	0.6
87.00867	2.7
89.02440	35.6
93.03447	3.5
95.01401	2.2
96.96008	3.8
99.00864	2.8
101.02438	19.2
108.02184	1.8
109.02924	4.2
113.02444	12.0
115.04082	0.6
118.00534	0.7
119.03506	13.7
121.02917	1.2
123.04538	1.2
125.02430	4.2
131.03505	2.6
133.02943	2.1
134.03720	1.5
135.04515	15.3
137.02438	2.8
143.03519	3.2
149.02467	1.2
149.04602	3.7
149.05667	0.7
150.03285	1.1
151.00348	2.6
151.03967	1.6
159.04436	1.6
160.05283	2.9
161.02440	8.0
161.04546	2.7
161.06108	0.7
163.04028	0.9
164.01160	0.9
165.01944	1.2
166.05087	3.0
167.05411	2.1
171.04572	0.8
172.05304	1.2
173.04567	3.6
173.05949	1.4
174.03268	0.7
174.04787	0.7
175.03973	1.1
177.01923	1.1
179.03523	2.7
179.05522	6.0
180.04404	0.6
183.82098	0.7
186.03119	0.7
187.04016	0.9
187.07663	1.5
189.01953	2.0
189.05528	2.4
190.06319	1.6
191.05627	11.5
197.04530	0.8
203.03473	1.4
203.07219	0.7
205.08658	1.4
215.03473	1.0
225.11349	0.8
227.03500	2.4
229.01393	0.9
229.05016	1.2
230.02220	1.3
239.06721	2.5
239.56839	1.1
243.02962	1.3
257.08224	0.9
258.01672	37.9
259.02432	14.9
260.02731	1.1
271.02435	20.0
272.03220	11.5
273.04013	14.4
274.04431	1.2
283.02408	2.0
285.04092	6.9
285.07260	1.4
289.07211	1.1
296.10559	1.3
298.01050	0.8
299.01913	0.9
299.05438	0.7
301.03519	100.0
302.03815	4.1
304.02246	2.1
311.12979	1.2
313.03497	8.9
317.09946	1.6
322.56650	0.7
327.05280	1.3
329.02777	1.0
329.13702	1.1
331.04556	56.4
332.05042	2.3
341.08740	3.7
341.13907	9.7
342.14218	0.9
343.04449	1.6
381.17435	1.6
385.05624	2.8
389.21735	2.3
391.25595	0.7
399.18585	1.1
401.12552	0.8
403.06787	2.8
463.08768	1.1
467.15457	0.8
489.14456	1.6
503.11661	1.4
521.13025	44.0
521.25934	28.3
522.13074	3.4
522.26459	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.1296
Annotation	Unknow
Peak:m/z	Relative Intensity
53.62142	0.4
55.01860	0.6
57.03439	1.0
59.01096	0.7
59.01379	12.3
61.98821	1.1
69.03455	0.9
69.25917	1.8
69.26340	2.6
71.01376	8.7
72.99296	0.8
73.02934	1.7
74.02449	0.7
81.03451	1.1
83.01379	1.0
85.02950	4.4
87.00864	1.0
89.02438	7.4
89.86414	0.5
91.01873	0.7
93.03448	1.8
95.01373	1.6
96.96010	3.6
97.02957	0.8
98.20645	1.0
99.00852	1.3
101.02441	5.1
101.38715	0.4
103.20344	0.4
105.74957	0.5
107.01350	0.6
108.02170	45.2
109.02947	41.1
111.04548	0.6
113.02447	3.2
119.01373	1.1
119.03477	2.4
121.02922	1.8
122.03716	0.6
123.00874	1.7
123.04542	1.3
125.02422	1.5
131.03473	0.7
132.56876	0.4
133.02956	1.3
134.03755	1.0
135.00865	1.7
135.04515	9.8
137.02420	1.7
138.03195	0.7
143.03537	0.9
145.02905	0.6
146.74260	0.4
147.00850	0.6
148.01627	0.8
149.02429	5.6
150.03166	1.4
151.03937	1.5
152.01140	50.0
153.01930	35.2
154.02357	0.7
161.02422	2.8
161.04498	1.1
163.03984	2.0
164.04774	4.1
165.01912	1.3
165.05522	0.7
167.03490	1.9
173.04547	2.4
175.00357	6.4
176.01120	8.2
177.01892	1.0
179.03473	8.4
179.05260	0.6
179.05534	0.5
179.06985	0.7
181.12364	1.5
187.03818	0.6
189.01837	0.6
190.02701	15.9
191.03464	14.0
191.05553	5.5
194.02275	0.6
195.02977	1.0
205.05031	13.3
206.05133	0.6
207.10199	3.2
208.03725	0.7
209.04510	1.9
223.06129	2.6
225.11334	6.6
227.03386	0.6
257.04559	0.6
258.01746	2.8
259.02383	1.3
271.02499	1.6
272.03244	1.0
273.03983	0.7
273.07599	1.1
283.02451	0.5
283.09692	1.9
285.03979	0.7
301.03513	7.1
310.08270	0.8
311.09195	4.1
315.07187	17.9
316.07565	0.6
326.11578	2.1
331.04581	5.1
341.13910	4.7
353.08759	4.0
359.27930	0.5
367.10233	1.1
400.30414	0.5
403.06763	0.7
461.20383	5.4
477.13800	1.2
489.10168	1.3
521.12921	100.0
521.33264	6.3
522.13318	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	520.2031
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	1.5
59.01377	63.9
61.98827	100.0
71.01382	9.0
71.61707	0.7
71.95072	0.6
73.02944	3.2
74.29751	0.6
79.95762	0.9
83.01379	1.6
85.02940	6.5
87.00881	1.1
89.02439	2.9
93.03470	1.9
95.01381	0.7
96.96004	3.9
99.00856	0.9
101.02435	5.6
111.04520	0.7
113.02470	3.9
119.03521	0.7
121.02982	1.1
122.03778	0.7
122.99026	0.6
125.02482	1.2
127.04029	0.7
127.35994	0.7
135.04544	3.4
137.02420	1.0
151.03941	0.8
155.03484	0.7
159.03015	0.7
161.02422	1.9
161.04584	1.9
173.04585	2.3
179.03481	1.1
187.04208	0.7
187.07605	0.7
191.05592	9.8
191.45757	0.7
192.05945	1.2
193.05040	0.6
209.15430	0.9
239.06660	6.0
239.56918	0.8
245.01511	0.7
264.13449	0.7
283.50171	0.7
302.43753	0.6
353.19647	5.2
359.27972	1.4
371.20682	9.1
371.24951	0.9
399.18359	0.8
413.21719	12.5
414.22787	0.7
457.11859	0.6
519.32977	0.7
520.09296	1.6
520.21777	0.6
520.33698	3.0
521.33295	8.1
549.59418	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.3321
Annotation	Inokosterone 20,22-acetonide
Peak:m/z	Relative Intensity
57.03460	2.0
59.01366	3.8
61.98175	0.8
61.98810	2.7
71.01364	1.6
71.62218	0.9
78.35056	0.7
78.95901	10.1
83.05007	2.9
96.96017	1.1
96.96958	1.4
152.99585	14.3
153.99902	1.5
167.12427	0.8
171.00636	1.2
181.63498	0.8
328.58206	0.8
377.24911	2.0
393.28018	17.9
394.27957	0.9
409.31064	29.6
410.31534	1.6
427.32111	7.5
432.22284	2.5
441.30478	1.2
442.01181	0.9
453.30225	3.7
457.32773	1.0
471.31110	67.4
472.31427	6.2
519.33246	100.0
520.33575	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	519.3322
Annotation	Inokosterone 20,22-acetonide
Peak:m/z	Relative Intensity
51.85334	0.3
53.58120	0.3
57.03456	0.4
59.01379	3.4
69.66879	1.1
69.67284	1.0
71.01382	2.5
72.02180	0.8
72.02890	0.3
72.99331	0.6
73.02943	4.0
83.01406	0.4
83.05032	1.4
84.92015	0.4
85.02959	0.9
87.00848	0.4
89.02429	0.7
93.03480	0.6
96.96007	0.8
98.20689	0.6
99.92686	0.3
101.02443	1.2
102.08313	0.4
109.02927	0.4
113.23158	0.4
117.01953	0.4
137.02423	1.3
164.72351	0.3
171.07915	0.4
173.04547	1.0
191.05629	5.0
207.10281	0.4
281.14612	0.4
301.03638	0.5
304.50681	0.4
357.25851	0.5
359.23593	0.5
361.25491	0.5
371.27847	0.6
373.29135	0.6
375.26929	0.9
389.28543	5.0
390.28513	0.7
391.30048	3.2
405.27823	0.4
407.24548	0.6
407.29489	6.0
419.29434	2.3
420.73923	0.4
423.28995	2.1
425.30652	0.6
437.30765	0.8
439.32071	2.8
457.33218	1.2
459.29422	0.5
459.94955	0.4
473.32831	2.1
489.32150	2.3
501.31857	0.8
503.20248	0.5
519.33203	100.0
520.33563	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	519.3321
Annotation	Inokosterone 20,22-acetonide
Peak:m/z	Relative Intensity
57.03445	0.4
59.01376	22.3
59.55201	0.2
61.98830	1.9
69.03439	0.3
69.44553	1.8
71.01375	2.0
71.05017	0.6
72.02159	0.4
73.02944	3.2
74.38582	0.2
83.01369	0.2
83.05019	0.9
85.02937	1.2
87.00847	0.3
89.02438	0.6
93.03460	0.7
96.95998	1.3
97.79360	0.2
98.19914	0.5
99.00854	0.3
101.02440	1.0
109.02905	0.3
111.00926	0.4
113.02456	0.5
116.92870	0.3
128.03523	0.3
133.02954	0.5
135.04456	0.4
137.02464	0.3
138.20494	0.2
146.04562	0.7
151.04031	0.3
161.02444	0.6
161.13326	0.2
173.04529	1.0
174.49507	0.2
191.05598	2.8
223.72530	0.3
361.25534	0.5
371.27325	0.4
372.15350	0.4
373.29034	0.5
375.26840	0.5
377.24362	0.3
377.28513	1.1
386.38391	0.2
389.28497	2.9
391.30197	1.7
399.23801	0.5
401.28146	0.5
405.28015	0.8
407.07480	0.3
407.24579	0.4
407.29532	5.1
408.29959	0.4
417.24301	0.3
419.29742	1.3
423.29166	1.8
425.30457	0.4
427.32080	0.3
432.31903	0.2
437.30933	0.3
439.32086	1.8
440.32452	0.3
455.31708	0.5
457.33145	0.9
459.25552	1.3
459.31558	0.5
471.31244	0.3
473.32526	1.2
475.34329	0.4
489.32294	1.1
501.32260	5.2
502.32706	0.5
519.33221	100.0
520.33606	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	519.3321
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	0.4
59.01376	22.3
59.55201	0.2
61.98830	1.9
69.03439	0.3
69.44553	1.8
71.01375	2.0
71.05017	0.6
72.02159	0.4
73.02944	3.2
74.38582	0.2
83.01369	0.2
83.05019	0.9
85.02937	1.2
87.00847	0.3
89.02438	0.6
93.03460	0.7
96.95998	1.3
97.79360	0.2
98.19914	0.5
99.00854	0.3
101.02440	1.0
109.02905	0.3
111.00926	0.4
113.02456	0.5
116.92870	0.3
128.03523	0.3
133.02954	0.5
135.04456	0.4
137.02464	0.3
138.20494	0.2
146.04562	0.7
151.04031	0.3
161.02444	0.6
161.13326	0.2
173.04529	1.0
174.49507	0.2
191.05598	2.8
223.72530	0.3
361.25534	0.5
371.27325	0.4
372.15350	0.4
373.29034	0.5
375.26840	0.5
377.24362	0.3
377.28513	1.1
386.38391	0.2
389.28497	2.9
391.30197	1.7
399.23801	0.5
401.28146	0.5
405.28015	0.8
407.07480	0.3
407.24579	0.4
407.29532	5.1
408.29959	0.4
417.24301	0.3
419.29742	1.3
423.29166	1.8
425.30457	0.4
427.32080	0.3
432.31903	0.2
437.30933	0.3
439.32086	1.8
440.32452	0.3
455.31708	0.5
457.33145	0.9
459.25552	1.3
459.31558	0.5
471.31244	0.3
473.32526	1.2
475.34329	0.4
489.32294	1.1
501.32260	5.2
502.32706	0.5
519.33221	100.0
520.33606	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	519.2873
Annotation	Unknow
Peak:m/z	Relative Intensity
52.71202	17.8
53.93179	16.8
57.65894	16.8
57.87630	17.4
58.42885	17.1
59.01369	100.0
61.98814	28.4
71.40969	35.9
71.41314	18.5
90.56982	18.3
94.36313	17.5
96.96007	58.7
106.35921	17.9
108.02087	21.0
141.94984	20.2
519.27844	44.7
519.33319	83.9
530.22400	21.3
534.38116	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	519.3321
Annotation	Unknow
Peak:m/z	Relative Intensity
52.22147	0.8
57.02651	0.8
59.01361	4.9
61.98820	2.9
64.43604	0.9
69.59744	0.9
71.05024	1.5
71.62036	0.9
96.95975	1.1
97.02950	5.5
97.06548	1.3
99.00868	18.4
109.06609	1.2
125.09700	4.6
142.02623	1.0
155.14447	1.0
161.09749	0.9
163.11261	6.7
171.12497	0.9
181.12328	19.0
182.12697	1.2
195.13899	1.6
199.13370	9.0
207.10245	41.1
208.10431	1.2
223.13445	1.0
225.11301	66.7
226.11569	1.4
240.11601	0.9
243.12341	100.0
244.12622	3.9
293.21167	20.3
405.38959	1.0
519.33203	55.3
520.33582	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	519.2809
Annotation	Unknow
Peak:m/z	Relative Intensity
51.92928	0.4
54.68929	0.4
55.01875	0.8
57.03449	1.2
59.01375	100.0
60.01705	0.9
61.98824	0.6
71.01376	9.3
71.62069	0.4
72.99299	0.9
73.02955	2.9
75.66107	0.4
83.01391	1.1
85.02949	4.8
87.00883	1.1
87.04479	0.5
89.02454	3.4
93.03455	1.1
95.01373	0.7
96.95982	2.2
99.00884	1.4
101.02431	5.9
109.02964	1.0
111.00858	0.6
113.02451	4.4
119.03507	1.1
123.04482	0.3
125.02445	1.0
125.09699	0.4
135.04512	0.7
139.68387	0.3
143.03442	0.8
151.03943	0.4
159.03014	0.7
161.02451	0.9
161.04510	1.9
173.04533	1.1
179.03522	0.6
179.05592	0.8
191.05598	4.2
269.04437	1.1
271.02148	0.4
289.07059	0.4
357.26364	2.4
362.19366	0.6
399.23862	9.1
400.24194	0.7
417.24933	4.4
421.09247	1.0
431.11237	1.0
459.25803	5.6
460.26178	0.5
477.23337	1.6
477.30096	0.4
501.31848	1.5
519.16846	1.9
519.24146	0.9
519.31952	16.2
520.32617	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.2804
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03430	0.3
59.01377	100.0
60.01702	0.4
61.98830	0.8
65.45955	0.3
67.01890	0.4
71.01379	3.2
72.99326	0.9
73.02952	0.4
74.02482	0.3
75.00880	1.6
79.95734	0.4
83.01411	0.6
85.02954	3.1
87.00885	0.9
89.02448	1.7
93.03450	1.0
95.01401	0.8
96.96004	2.5
97.24095	0.3
98.19838	0.5
99.00860	1.3
99.04531	0.4
99.05633	0.4
101.02452	0.9
106.92329	0.3
109.02975	0.6
111.04572	0.3
112.32855	0.3
113.02433	2.9
113.99243	0.3
119.05000	0.4
121.02974	0.4
125.02481	0.3
128.03561	1.4
129.01973	0.3
133.02954	0.5
135.04536	1.0
137.02460	0.5
143.03656	0.3
143.04596	1.6
149.04539	0.4
151.00394	0.5
156.14229	0.3
161.02455	1.3
161.04536	0.6
165.01915	2.9
165.12802	0.5
173.04558	0.7
173.06020	0.3
174.85555	0.2
177.01956	0.3
179.04672	0.3
187.07672	0.7
189.12869	0.5
191.05609	4.7
191.07338	0.3
192.06018	0.3
197.05922	0.3
202.06406	0.5
207.13997	0.4
209.11900	0.8
225.05505	0.5
229.52946	0.3
231.10236	0.4
239.06729	2.2
239.56946	1.0
243.06660	0.4
249.06105	3.0
253.05246	0.3
254.07878	1.0
263.12967	0.8
267.07242	1.7
269.13998	0.6
271.06046	2.1
272.08954	1.1
309.08322	0.8
343.17603	0.5
365.18024	0.3
389.47067	0.3
399.19162	0.3
399.23892	1.2
407.08200	0.3
407.29550	0.9
417.25006	0.7
431.95209	0.3
459.25980	5.8
460.26468	0.5
475.12378	4.3
481.16748	0.4
501.19937	1.5
519.20825	15.7
519.33472	7.9
520.21204	1.1
520.33594	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.2809
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45393	0.5
56.37943	0.6
57.03445	1.2
59.01376	100.0
60.01713	0.7
60.29123	0.5
61.98822	3.5
64.59634	0.5
71.01380	9.2
71.62445	0.9
72.02154	0.6
73.02950	3.8
82.10275	0.6
83.01385	1.3
83.05028	1.0
85.02945	8.7
87.00864	0.7
87.04513	0.7
89.02435	3.3
93.03475	1.6
95.01368	0.8
96.96008	4.3
99.00843	1.1
101.02440	4.4
109.03015	0.8
111.00874	0.7
113.02430	6.1
119.03437	0.7
119.05029	1.1
125.02366	0.7
129.01892	1.0
133.02962	1.3
135.04507	2.2
137.02426	0.8
148.87282	0.5
149.04552	0.9
151.00357	1.5
151.03981	5.0
161.02464	4.0
161.04526	3.2
173.04584	2.9
179.03459	1.9
185.06065	1.0
191.01987	1.4
191.05605	10.2
263.12872	0.7
271.06079	8.3
305.16010	1.1
389.28384	1.4
399.23810	15.4
400.24124	1.6
407.29471	1.7
417.24966	3.6
439.31927	0.8
457.33292	2.7
459.25641	3.7
481.17017	1.4
483.18640	2.9
501.32098	5.7
519.24994	3.3
519.33167	76.0
520.33405	6.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.259
Annotation	Unknow
Peak:m/z	Relative Intensity
58.66674	0.9
59.01363	4.1
61.98827	1.1
71.01408	1.0
73.02953	1.0
78.95916	0.9
85.02943	1.9
96.95992	2.3
102.03522	0.7
108.86598	0.8
124.21921	0.8
125.02441	1.2
173.04544	0.9
191.05626	3.8
210.17525	0.8
215.42204	0.8
241.26244	0.9
250.49269	0.8
283.13284	0.8
294.21527	1.8
295.22757	2.0
311.19955	1.4
315.19617	100.0
316.20114	4.3
316.23132	1.0
475.28699	1.7
519.33240	13.8
520.30475	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.2443
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	2.0
58.00582	1.3
59.01376	100.0
61.98834	1.8
65.26660	1.0
71.01379	28.0
72.99313	2.3
73.02947	14.9
83.01378	6.7
85.02938	9.9
85.17327	1.0
87.00871	3.8
87.04502	2.3
89.02441	27.7
93.03448	4.5
94.32109	1.2
95.01372	2.7
96.96007	6.9
97.02959	2.1
99.00843	1.9
101.02438	22.7
101.06065	1.8
104.05862	1.1
109.02962	5.6
109.83260	1.0
113.02441	15.0
116.92822	1.4
119.03503	10.2
123.04520	3.2
125.02420	5.2
131.03493	1.9
135.04510	3.1
137.02496	1.6
138.05618	1.3
143.03485	4.2
145.02972	1.3
149.04575	2.8
151.03995	3.3
159.04507	1.8
161.02528	5.2
161.04541	9.1
161.05963	2.5
163.04063	1.6
165.01898	1.7
173.04555	6.3
179.03479	2.4
179.05594	13.0
187.03986	1.3
187.07573	1.3
191.05600	26.3
191.95079	1.1
192.05881	1.4
201.09209	3.3
205.04950	1.3
208.44862	1.0
221.06627	1.0
225.09183	4.9
249.06126	1.6
269.11792	4.6
271.19165	1.4
287.05685	1.5
289.10712	1.1
301.03345	1.2
337.10806	2.0
355.20853	1.6
367.21344	1.1
399.10901	5.2
415.23376	9.8
429.11911	3.3
433.24301	4.9
481.17456	1.9
501.15579	24.5
502.16156	2.6
519.16187	3.6
519.32739	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	519.2442
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	1.3
57.03439	1.5
57.71045	0.7
59.01376	100.0
60.01720	0.9
61.98819	2.5
64.56387	1.0
69.03448	1.5
69.28520	8.5
71.01379	29.1
72.99305	2.2
73.02944	14.6
74.02478	1.5
81.03423	1.0
83.01377	6.0
85.02949	10.4
87.00868	3.6
87.04505	1.1
89.02439	25.2
93.03476	5.2
95.01379	2.4
96.96002	5.8
99.00855	2.2
101.02441	21.9
101.06096	1.4
102.86530	0.8
105.77580	0.9
109.02951	6.3
111.00834	1.0
113.02448	17.7
116.92882	1.3
117.03465	1.1
119.03494	10.5
119.05039	0.8
121.02962	1.5
123.04498	1.9
125.02459	4.5
125.03204	0.8
129.01845	0.8
131.03462	1.9
135.04507	2.8
135.53424	0.8
137.02461	2.1
142.30255	0.9
143.03482	5.7
149.02362	1.0
149.04559	2.2
149.05902	0.9
151.00526	0.9
151.03989	4.5
161.02422	4.5
161.04504	7.0
165.01933	1.1
173.04559	6.4
179.03429	1.7
179.05589	12.2
185.05980	1.1
187.04059	1.0
187.07605	1.6
191.05589	31.4
196.05257	1.0
201.09148	2.9
202.06284	1.3
205.04932	1.2
218.06343	0.9
221.06615	1.1
225.09215	4.5
229.04959	1.0
245.04657	1.1
263.12915	1.0
263.96451	1.0
269.11810	4.5
271.02316	1.0
271.06281	1.6
272.02777	0.9
287.05453	2.4
289.07477	0.8
309.07657	0.9
313.11383	1.6
337.10687	1.2
379.21295	1.9
399.10800	6.7
415.23425	8.1
429.11609	2.7
433.24356	4.6
441.32089	0.9
459.25674	0.9
475.17911	1.2
475.25452	0.9
481.17145	2.7
501.15533	22.2
502.15466	2.2
519.16156	1.0
519.32666	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	519.2443
Annotation	Unknow
Peak:m/z	Relative Intensity
51.93420	0.9
55.01884	1.0
57.03426	2.2
58.00579	1.7
59.01375	48.6
61.98825	5.1
69.03468	2.1
69.53407	0.8
71.01380	24.6
71.05019	1.3
72.99297	2.6
73.02932	5.4
78.61243	0.8
79.95725	0.8
81.03432	1.1
83.01387	3.6
83.05019	1.1
85.02951	8.7
87.00863	2.8
88.70847	0.9
89.02440	21.0
93.03464	3.8
95.01373	1.8
96.96006	4.9
97.02937	2.5
99.00861	7.2
101.02422	16.4
106.86835	0.8
106.87744	1.0
109.02870	1.1
109.06573	1.1
111.04506	1.6
113.02455	8.1
119.03486	4.1
121.06580	1.4
123.04523	2.3
125.02431	4.2
131.03476	3.7
133.98100	1.0
135.04457	4.6
137.02422	1.3
139.07635	1.7
143.03464	2.0
149.02589	1.0
149.04552	7.3
149.09677	1.3
161.02425	2.6
161.04529	3.4
167.03493	1.3
167.10751	2.3
173.04607	4.7
173.05872	1.0
179.03445	1.2
179.05624	1.7
179.10846	1.1
179.14406	3.1
183.06592	4.0
187.04063	1.2
191.05591	29.7
192.05960	1.7
195.13869	11.0
205.12338	10.1
209.11766	2.2
223.13368	100.0
224.13686	3.5
237.04013	8.9
240.42188	1.0
253.09261	15.7
267.05038	2.8
271.02414	1.4
289.07248	1.2
335.23746	1.0
353.13815	1.2
459.22342	41.6
459.29260	3.5
460.22598	3.1
477.30328	2.0
504.21155	1.4
519.10516	1.4
519.17291	1.4
519.32263	21.5
520.22339	1.8
520.32672	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.244
Annotation	Unknow
Peak:m/z	Relative Intensity
52.80244	0.2
55.01872	1.2
57.03447	1.6
58.00593	1.2
59.01376	29.9
60.01721	0.4
67.01876	0.2
69.03431	0.8
70.35204	0.6
70.35580	0.3
71.01379	25.4
72.01723	0.2
72.99297	1.5
73.02941	8.8
75.00878	0.7
81.03452	0.4
81.75314	0.2
83.01378	3.0
85.02946	7.4
86.00058	0.2
87.00883	2.0
89.02438	21.5
92.05550	0.2
93.03468	0.2
95.01381	1.4
96.96035	0.6
97.02946	1.6
99.00876	8.0
99.04504	0.5
101.02436	20.5
102.02785	0.2
109.02953	0.2
111.00886	0.4
113.02444	7.4
114.02797	0.2
115.04006	1.2
117.01907	0.2
119.03484	4.9
121.03011	0.2
121.06522	0.2
125.02430	2.3
127.03999	0.3
128.03448	0.3
129.01968	0.3
131.03496	2.5
134.03729	0.5
135.04468	0.3
137.09689	0.8
141.01927	0.2
143.03477	1.1
149.02449	0.4
149.04536	3.1
149.05948	0.3
149.58846	0.2
150.03220	1.1
150.06410	0.3
151.03654	0.5
151.07541	0.2
151.11293	0.3
152.08446	0.5
153.12874	0.3
159.03011	0.3
161.02451	0.3
161.04524	1.5
161.50040	0.2
163.11275	0.4
165.05542	0.9
166.05920	0.5
173.04597	0.2
177.01926	0.2
179.05664	0.2
181.12328	0.4
189.12820	0.2
191.05585	2.4
193.05025	0.4
195.06680	0.5
195.13850	0.9
197.15428	1.1
206.45334	0.2
207.13857	1.6
208.45718	0.2
225.14952	8.5
226.15192	0.3
233.06674	1.2
251.07693	0.3
293.08810	0.4
320.15775	0.2
387.20206	19.3
388.20712	1.0
475.09549	0.3
501.15802	0.5
519.24396	100.0
520.24756	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	519.2443
Annotation	Unknow
Peak:m/z	Relative Intensity
51.56252	0.2
55.01877	1.7
57.03442	1.5
58.00593	1.9
59.01375	39.9
60.01697	0.2
60.99307	0.2
69.03448	1.8
71.01378	41.7
71.61446	0.3
72.01701	0.3
72.99306	1.5
73.02941	13.6
75.00859	0.9
81.03446	0.6
83.01385	3.9
83.05035	0.6
85.02947	9.4
86.03283	0.3
87.00868	2.0
89.02438	38.5
90.02764	0.5
92.56305	0.2
95.01382	1.9
96.96005	1.3
97.02940	2.7
99.00874	13.6
99.04504	0.4
101.02437	26.7
102.02764	0.3
111.00896	0.7
111.04585	0.2
113.02441	11.0
115.04008	1.9
119.03497	4.6
121.06570	0.2
123.07340	0.4
123.08155	5.2
125.02444	6.4
127.03992	0.4
129.01915	0.3
131.03497	5.6
132.03787	0.2
136.05283	0.4
136.64836	0.2
137.09711	2.6
138.06815	0.6
141.70639	0.2
143.03487	2.4
143.63268	0.2
149.04543	12.3
150.04947	0.3
151.07614	0.6
152.08409	3.0
153.09160	1.0
155.10750	0.4
159.02962	1.6
161.04549	7.3
163.09866	0.3
163.11261	4.9
171.11743	0.4
173.09740	0.6
179.05592	1.7
189.12833	8.8
190.13120	0.4
191.03920	0.4
191.05580	4.8
205.12228	0.4
207.13881	7.7
208.14146	0.3
221.06667	0.5
225.14960	3.5
226.15294	0.4
233.06651	5.2
233.10194	0.3
245.05188	0.2
251.07668	0.9
277.34933	0.2
293.08749	4.2
294.09067	0.3
355.17609	0.3
372.17801	0.4
387.20203	22.3
388.20456	0.9
504.21658	0.3
519.24384	100.0
520.24731	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	519.2075
Annotation	Suspensolide E
Peak:m/z	Relative Intensity
51.51931	0.4
55.01863	0.4
57.03450	2.1
59.01378	24.2
61.98804	0.5
67.01870	0.4
68.99799	0.9
69.03449	0.6
71.01381	12.6
72.99301	4.7
73.02933	1.2
75.00873	8.4
81.03461	0.4
83.01393	0.9
85.02947	13.1
87.00883	3.9
89.02438	3.1
93.03451	1.3
94.24439	0.3
95.01378	2.7
96.96010	3.2
97.02938	0.5
97.06591	0.5
99.00872	6.5
99.04515	2.0
101.02418	1.0
103.00364	1.3
107.04997	0.5
109.02918	0.5
109.06527	0.5
113.02444	16.6
115.00361	1.7
117.01936	1.4
129.01930	1.2
131.03462	0.7
133.02895	0.6
135.04451	0.7
155.98022	0.4
157.01424	0.7
161.02455	1.1
161.13237	0.4
165.12813	2.1
173.04546	1.3
175.02516	1.9
187.07635	0.5
189.12773	1.2
191.05600	4.0
205.07100	0.7
207.05087	0.7
207.13898	4.2
209.11859	3.0
229.51128	0.5
231.04956	0.6
231.07054	1.8
239.06757	1.2
249.06113	8.0
251.12688	0.6
267.07187	20.2
269.13922	1.4
343.17545	3.2
365.17944	1.4
459.18713	2.1
501.19736	3.0
519.20782	100.0
519.32098	8.4
520.21094	6.8
520.33380	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.1138
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	1.7
59.01375	48.5
61.98826	0.7
65.00310	3.3
68.99825	0.8
69.03459	1.0
69.25350	7.0
71.01376	10.6
72.99303	1.6
73.02937	3.1
73.63564	0.6
81.03427	0.9
83.01379	3.3
85.02937	8.2
87.00849	1.5
89.02461	3.8
93.03454	3.4
93.32253	0.6
95.01382	3.0
96.96016	2.5
97.02943	1.2
99.00882	1.3
101.02444	7.4
107.01405	1.6
109.02952	1.7
110.00090	18.2
111.00872	4.0
111.04500	0.9
113.02448	4.5
119.03510	1.3
123.00877	2.6
124.01651	4.9
125.02466	1.5
127.03954	1.1
136.01637	2.6
136.98795	2.9
137.02443	1.2
137.99593	5.9
139.00368	6.8
141.99052	0.9
145.06493	0.8
151.00345	2.8
152.01138	6.9
156.00688	1.0
157.06587	1.1
161.04532	2.1
165.99054	19.0
166.29027	0.8
166.99867	4.3
167.10771	1.7
169.06517	1.0
171.04498	0.9
171.08215	1.2
173.04512	2.1
173.06102	2.7
177.01967	1.0
178.99892	1.7
179.14430	1.5
185.06030	2.2
191.05582	18.4
193.01456	0.9
195.13870	6.1
199.03923	0.7
199.07614	1.7
201.05544	1.7
205.12323	4.4
209.06091	1.3
209.11781	1.1
211.07668	1.2
213.05522	2.2
223.13368	52.1
224.13651	1.2
225.05554	5.0
227.03667	0.9
227.07103	3.9
229.05002	1.4
231.06859	1.8
242.05827	2.2
243.06589	32.6
244.06903	2.0
246.05586	0.7
253.05058	9.5
253.09180	8.5
255.06604	28.7
256.06900	0.8
258.01657	7.1
259.02441	2.2
269.04504	2.7
270.05313	16.2
271.06082	100.0
272.03479	1.2
272.06430	4.5
273.04013	2.1
281.10208	1.0
283.06107	0.8
283.13498	1.4
297.07611	2.2
301.03485	14.0
313.03470	0.9
331.04547	8.2
336.44254	0.7
336.71188	1.0
399.14661	1.8
415.10431	2.3
433.11356	46.4
434.11511	3.0
441.28607	1.1
459.12836	2.3
459.22278	8.6
459.29434	2.7
475.12402	67.1
476.12720	5.4
495.20218	1.6
504.21063	6.6
518.31268	1.7
519.15417	7.1
519.31677	74.6
520.32007	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	519.1137
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03428	1.0
59.01377	43.4
61.98822	2.6
65.00318	2.6
67.01863	0.8
71.01379	4.4
71.62152	1.1
73.02966	1.1
75.00847	1.1
79.95734	1.6
81.03432	1.9
83.01372	2.6
85.02956	4.8
85.33339	0.8
87.00868	1.5
87.97042	0.8
87.97607	0.7
89.02407	1.6
93.03450	5.7
95.01367	1.6
96.96005	12.1
99.00846	2.1
101.02449	1.4
101.56780	0.8
105.07892	0.9
107.01389	3.3
109.02934	4.4
111.00770	0.9
113.02430	2.2
115.05486	1.3
115.70737	0.8
119.05004	4.6
121.02953	2.4
124.01668	1.0
125.02422	3.8
125.30420	0.6
133.02901	1.1
135.00864	1.2
135.04510	1.0
137.02441	7.1
141.06999	1.0
143.04944	1.4
145.01675	0.7
149.02382	1.2
151.00363	9.9
151.63721	0.8
153.06950	1.0
161.02394	1.5
164.01009	0.9
165.01913	79.7
166.02255	2.5
173.04541	3.1
175.03900	1.1
177.01846	1.2
177.05515	1.0
177.89514	0.8
178.99828	0.9
179.03421	1.2
181.06516	1.4
182.06081	0.8
183.08192	1.7
185.06023	1.6
187.03993	1.1
191.05560	10.9
197.06085	5.1
199.07640	1.2
209.05951	1.5
213.05536	1.2
225.05550	7.4
225.11140	1.1
227.07211	1.0
239.06689	17.4
239.56882	3.4
241.05058	2.7
243.06615	6.8
243.74568	0.9
249.06140	2.2
253.05023	10.5
263.12680	1.4
267.06747	2.2
271.06091	47.8
272.06250	1.8
313.07190	2.4
347.11441	1.0
349.64203	1.0
365.17767	2.2
371.86682	0.9
399.23975	1.0
407.29263	1.4
411.87543	0.9
433.11407	1.8
459.26065	2.1
475.12411	100.0
476.12506	7.3
501.32260	1.7
519.20911	8.4
519.33209	18.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.1143
Annotation	Unknow
Peak:m/z	Relative Intensity
53.42291	0.8
59.01376	0.9
70.74906	2.2
77.27341	0.7
77.31657	0.8
85.02948	0.7
87.00884	1.2
89.02428	0.9
93.03475	0.9
96.95984	3.6
105.01913	1.3
108.02177	0.9
118.38703	0.8
121.02946	76.4
121.32721	0.7
122.03265	2.3
133.02921	0.8
150.37189	0.8
165.01915	100.0
165.03882	4.7
166.02231	2.0
184.21188	0.7
191.05591	11.2
262.51077	0.7
353.08737	0.9
469.39374	0.8
519.12549	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.0443
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	0.5
69.27704	0.4
69.28116	1.3
71.01370	0.5
79.95738	3.5
85.02932	0.3
89.02457	0.5
92.03917	0.2
93.03444	0.2
96.96008	100.0
97.95914	0.2
101.02426	0.2
109.02933	0.2
134.03708	0.4
137.94795	0.2
149.04550	0.4
150.03165	0.2
165.05568	0.3
170.17145	0.2
191.05602	1.0
193.05096	0.2
193.71437	0.2
240.97563	0.2
258.01669	0.3
259.02457	0.6
268.61966	0.2
271.02393	0.3
272.03149	0.2
301.03510	1.1
318.28604	0.2
327.10986	0.3
331.04556	0.8
342.79730	0.2
421.07632	1.8
518.16754	0.2
519.17023	0.6
519.24213	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.1665
Annotation	Unknow
Peak:m/z	Relative Intensity
56.87214	0.7
59.01379	7.0
70.61871	2.1
71.01383	4.1
82.02975	0.8
84.04530	1.1
84.62706	0.7
85.02948	2.1
86.80182	0.6
89.02441	4.3
93.03445	5.0
96.96009	10.2
97.08483	0.6
100.04010	1.7
101.02428	1.7
102.05610	1.2
108.02130	1.0
109.02924	1.1
119.05099	0.9
121.02959	10.7
122.02472	0.9
122.03740	10.1
123.04553	3.6
128.02673	1.1
128.03537	11.8
131.03502	1.3
131.05055	0.7
132.02142	1.7
133.02917	1.5
133.85927	0.7
134.03735	37.7
135.04538	3.7
136.01631	1.0
137.02458	1.8
146.04549	2.7
147.04501	4.6
149.02435	27.4
149.04538	2.7
149.06071	26.1
150.03220	75.1
151.03998	8.2
155.88268	0.7
160.01675	5.3
161.02402	2.6
162.06862	3.8
163.03896	0.7
164.04778	6.0
165.05557	61.2
166.05843	2.5
170.05649	1.3
173.04588	1.5
175.03986	8.7
175.07602	1.4
178.02625	3.6
180.04301	6.1
181.05084	4.8
191.05605	5.7
192.05969	0.8
193.05032	23.8
195.06601	17.8
203.05820	1.8
204.06644	1.0
218.08185	2.2
232.09747	2.5
234.11285	0.7
244.06274	1.6
245.06950	1.2
249.05412	1.1
250.06194	1.0
254.09442	0.9
260.09155	1.8
277.09433	2.5
278.10287	6.9
282.08853	2.3
282.74316	0.9
304.08167	2.4
325.10107	0.9
341.10297	13.9
362.10709	0.8
365.12573	1.5
367.14063	1.0
380.14807	2.2
389.12393	13.9
394.12723	1.2
408.14319	1.0
426.15543	10.7
427.15463	0.9
452.13486	1.4
474.17422	2.5
486.14072	1.5
500.15549	21.7
501.15686	1.7
518.16571	100.0
519.17163	8.2
519.24359	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.3893
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	100.0
60.01714	0.6
69.43057	2.7
75.23020	0.3
78.88845	0.4
80.96499	0.4
117.45850	0.3
140.24591	0.3
223.78760	0.3
509.61948	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.1666
Annotation	Unknow
Peak:m/z	Relative Intensity
54.31750	0.9
56.81187	0.7
58.39373	0.8
59.01380	8.4
70.93987	1.0
70.94315	1.5
71.01376	5.9
72.99285	1.1
73.02952	1.7
85.02935	3.5
89.02438	6.4
93.03474	3.6
96.96023	1.4
99.00860	1.0
100.04025	2.7
101.02438	4.5
102.05605	2.8
108.02130	0.9
113.02440	2.7
121.02946	5.3
122.03741	10.7
123.04523	2.4
125.02397	1.4
128.03532	11.7
133.02950	1.8
134.03734	38.1
135.04457	2.7
136.03963	0.7
137.02419	1.2
144.06738	0.8
146.04585	3.6
147.04494	2.8
148.05264	1.2
149.02437	18.5
149.04303	0.7
149.04858	1.6
149.06070	21.3
150.03218	74.0
151.04001	7.3
160.01666	5.1
161.02431	2.1
162.06903	4.7
164.04747	4.2
165.05559	69.0
166.05830	2.0
175.03987	10.7
175.07640	1.5
178.02676	2.8
180.04243	7.1
181.05029	4.2
191.05569	3.0
193.05048	27.6
195.06601	20.6
203.05908	1.5
204.06503	1.2
218.08177	2.9
225.14920	2.0
232.09732	3.0
244.06148	1.9
260.09247	2.1
277.09546	3.8
278.10294	8.3
304.08212	3.4
311.06171	0.7
322.09464	2.0
341.10324	2.1
387.20294	4.2
389.12375	7.5
426.15601	1.8
426.44495	0.7
474.17941	1.3
500.15607	19.1
501.16315	1.6
518.16632	100.0
519.16888	7.9
519.24451	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	517.3163
Annotation	Unknow
Peak:m/z	Relative Intensity
51.08622	0.2
52.34694	0.2
57.03416	0.3
59.01378	1.2
60.99311	0.4
61.98826	2.9
68.69127	0.3
69.88057	1.1
71.01392	0.4
71.05014	3.8
83.05029	1.1
93.03454	0.3
98.19888	0.6
123.59091	0.3
168.27211	0.3
191.05608	0.6
195.71584	0.3
377.28140	0.4
395.29599	2.2
402.92285	0.3
409.27454	0.4
411.32617	0.5
419.29550	0.4
425.30682	0.4
437.30621	4.7
453.30023	0.5
455.31604	23.0
456.31693	2.2
469.29526	100.0
470.29889	8.3
487.30878	0.5
499.30331	1.0
517.31641	77.9
518.31940	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	517.3166
Annotation	Ganolucidic acid C
Peak:m/z	Relative Intensity
60.99290	0.7
69.61996	0.3
70.03206	1.4
75.33227	0.3
88.95427	0.3
100.42223	0.3
205.19618	0.3
243.87128	0.3
407.29407	0.9
425.30719	0.5
437.30682	2.0
453.30130	6.0
454.30460	0.4
455.31625	7.8
456.31860	0.8
469.29553	38.4
470.29807	3.6
499.30643	1.4
517.31659	100.0
518.31982	8.3
518.37622	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.3166
Annotation	Ganolucidic acid C
Peak:m/z	Relative Intensity
59.01377	0.7
61.98834	0.4
68.00790	0.4
71.05022	0.8
71.61765	0.5
91.05217	0.4
99.32778	0.5
123.11006	0.5
142.92957	0.4
154.86311	0.4
162.88257	0.4
266.68430	0.4
272.72095	0.4
299.36465	0.5
407.29297	0.7
437.30515	4.4
455.31619	24.4
456.31998	1.7
469.29541	100.0
470.29880	7.9
499.30609	0.9
517.31659	80.3
518.32019	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	517.2565
Annotation	Unknow
Peak:m/z	Relative Intensity
54.83063	1.2
57.03461	1.2
58.87293	1.1
59.01374	8.3
61.98823	1.5
62.11122	1.0
70.94582	1.1
71.01362	3.2
71.62141	1.7
73.02925	2.5
75.00848	3.5
78.24975	1.5
85.02927	4.8
93.03433	2.2
96.95987	3.6
101.02396	1.8
109.02927	2.9
113.02425	2.5
116.01739	2.0
118.81989	1.2
121.02927	3.1
122.03712	2.3
125.02371	1.7
128.03510	1.6
133.02927	2.2
135.04498	1.3
137.02432	6.5
141.80069	1.1
146.04558	2.0
150.03197	3.0
161.02333	1.4
161.11838	1.7
164.01083	1.6
165.01904	9.1
173.04456	5.0
177.01836	4.7
178.02724	1.7
179.03560	2.5
184.30865	1.2
189.01880	4.6
191.05600	8.3
197.00479	1.6
197.02190	11.1
209.11771	2.0
217.01294	1.7
267.19403	2.9
282.26416	1.2
287.05377	3.6
288.06247	3.8
306.07388	3.2
307.19150	1.5
319.22742	100.0
320.23004	4.9
335.22272	8.8
341.06909	1.4
345.17148	2.2
407.10965	3.2
473.26981	5.5
499.19513	8.9
517.14398	2.1
517.25427	48.4
518.25739	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.2567
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	3.9
57.75753	2.1
59.01382	15.0
61.98832	5.3
70.81587	4.6
70.81925	3.1
71.01376	4.6
75.00858	2.7
83.05061	2.2
85.02952	7.5
93.03465	4.6
96.96008	4.4
101.02436	4.9
109.02937	8.8
113.02450	2.8
121.02959	6.3
122.03680	2.5
125.02446	6.3
133.02937	9.7
134.03748	2.6
135.04492	3.0
137.02429	16.1
149.02451	2.4
150.03224	6.7
151.61119	2.3
152.90965	2.1
159.04514	2.8
161.02368	5.2
164.01167	3.1
165.01900	19.4
165.62483	2.4
173.04497	6.3
177.01924	25.2
178.02612	4.9
179.03490	4.3
189.01932	20.8
191.03831	2.1
191.05609	13.6
197.02177	12.3
199.07623	3.0
201.05612	3.2
203.03473	2.4
216.00580	2.4
217.01328	7.3
241.84021	2.1
264.47101	2.3
267.19370	2.7
271.09799	3.8
287.05563	8.7
288.06339	7.0
306.07355	6.8
307.19019	5.6
319.22736	100.0
320.23016	9.4
335.22244	6.8
341.06580	3.2
345.16901	2.5
389.10245	5.5
407.11145	17.2
473.27606	7.6
499.19772	19.8
517.14783	9.3
517.25354	56.3
518.25916	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	517.2283
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	1.2
57.03444	1.6
58.00586	2.9
59.01376	65.2
69.03448	3.3
71.01378	62.4
72.01707	0.7
72.99308	3.9
73.02941	19.8
75.00871	1.3
81.03450	1.9
83.01379	3.3
83.05025	0.9
85.02944	10.3
87.00874	2.9
89.02438	81.5
90.02775	0.7
93.03452	1.3
95.01381	2.4
95.05054	0.7
96.96001	1.3
97.02940	6.0
99.00874	35.6
99.04510	0.6
101.02436	28.9
108.05798	0.5
109.02928	0.9
109.06620	0.6
109.70385	0.4
111.00886	1.0
113.02441	10.3
115.03978	3.8
119.03510	3.6
122.03705	0.9
123.08138	1.3
125.02444	17.1
127.04021	1.0
131.03503	15.4
132.03754	0.5
134.03714	0.7
135.04546	1.0
135.08162	0.5
136.05309	2.2
137.06108	0.9
138.06868	6.8
139.07600	2.1
143.03456	2.2
147.08191	1.1
149.04546	37.0
150.03207	1.5
151.07640	7.6
152.04739	0.6
152.08421	20.8
153.09206	23.2
154.09561	0.5
161.02467	0.7
161.04559	5.5
161.09720	0.8
163.11249	3.8
165.05527	1.0
165.09167	0.9
173.04506	1.6
173.05934	0.5
189.09235	0.9
190.09964	1.0
191.05588	14.4
205.12314	43.3
206.12759	1.2
221.06549	1.1
222.78697	0.5
223.13347	3.3
229.34126	0.5
233.04308	1.1
233.06641	17.8
233.10239	0.8
247.06532	0.9
247.56767	0.6
248.06393	0.8
251.07666	2.5
265.52936	0.4
293.08734	17.7
343.07993	0.4
345.52271	0.4
365.14484	2.3
385.18686	5.0
431.15598	0.9
499.17450	1.0
517.22876	100.0
518.16718	0.6
518.23218	7.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.1192
Annotation	Siphonodictyal B3
Peak:m/z	Relative Intensity
59.01364	1.9
71.01361	1.4
71.08459	0.9
74.73658	0.6
81.03441	0.7
83.01377	2.8
85.02956	1.6
93.03452	3.1
95.01379	2.0
95.05015	1.0
95.84129	0.6
96.96011	6.9
97.02953	0.9
99.00879	15.0
101.02443	0.8
107.05035	1.2
108.02184	0.7
109.02915	2.3
111.00871	1.3
113.03535	2.0
114.01902	1.6
123.04519	1.5
125.02410	1.7
131.04602	4.6
133.02957	1.1
135.04501	3.5
137.02399	3.0
139.00339	2.1
139.03992	1.6
141.01944	1.7
147.04575	0.8
149.06033	1.1
151.00221	0.7
151.03981	2.1
153.01939	1.1
155.03561	3.1
161.02438	0.7
163.03993	1.4
165.01927	2.2
165.05537	0.6
167.03500	2.2
173.04529	1.3
173.06009	0.7
175.03979	0.9
177.01906	1.5
177.05540	1.2
178.02762	0.6
179.03490	7.9
180.04243	0.8
181.01361	0.7
189.04004	1.1
189.05615	0.8
191.03635	1.3
191.05600	5.7
193.04993	2.3
195.02963	1.9
197.04576	4.0
197.67754	0.6
205.01471	1.0
205.05064	0.9
206.02185	1.4
207.02997	6.3
209.04539	1.3
219.02905	3.1
219.06514	0.9
220.03665	1.2
221.04514	7.1
223.02444	2.7
229.03383	0.7
230.08955	0.7
233.04514	2.2
235.02383	1.5
235.06078	1.1
237.04024	0.8
248.03314	0.7
249.04012	18.3
251.05524	3.3
252.95609	0.7
253.03551	0.8
254.07669	0.6
255.10222	0.9
261.03885	1.8
263.05576	1.9
264.02798	0.9
264.30624	0.6
265.03485	6.3
272.08917	0.8
277.03491	1.0
278.04312	1.3
279.05069	12.5
289.03467	1.6
291.05148	0.9
295.04541	1.2
307.01208	1.0
307.04596	13.6
308.04987	0.7
319.04434	1.8
337.05621	8.6
355.06735	1.3
367.06635	0.9
369.07993	0.9
385.12848	1.7
397.07730	16.8
398.08054	1.4
427.08728	7.4
499.10645	0.7
517.11926	100.0
518.12335	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	516.1868
Annotation	Unknow
Peak:m/z	Relative Intensity
58.30750	0.5
59.01375	6.4
61.09874	0.5
61.98813	1.0
67.01897	0.6
69.03432	0.5
69.63190	1.9
69.63592	1.3
71.01376	1.4
81.03420	0.6
83.01398	2.1
85.02961	1.7
85.17755	0.5
89.02462	0.5
90.72625	0.6
93.03455	3.1
94.03799	0.7
95.05045	0.7
96.55781	0.6
96.95985	1.0
97.02929	3.4
101.02490	0.7
102.05602	34.7
103.34127	0.6
107.17419	0.5
108.02232	0.7
109.02954	9.8
111.04523	0.7
121.02957	2.2
121.06592	1.0
122.03722	1.2
123.00951	0.6
123.04511	8.5
123.55793	0.6
125.02432	1.9
128.03534	26.5
133.03004	1.0
134.03770	1.0
135.04527	8.6
136.04820	2.6
137.02441	2.4
138.05557	0.5
139.03998	1.8
145.02910	0.7
146.04590	100.0
147.04897	1.7
149.02452	3.2
151.04024	2.8
155.03519	0.9
159.04517	1.8
161.02419	4.6
161.06070	3.2
161.09689	0.8
162.03081	1.6
163.04034	1.2
164.10722	0.8
173.04536	6.3
173.05882	0.9
174.04906	2.2
175.03961	0.8
175.07652	0.7
177.05602	1.0
179.03481	5.0
180.03812	3.0
182.11852	2.7
185.06134	0.6
187.03999	1.9
187.07677	1.3
188.04785	1.1
189.05563	0.6
191.05589	14.9
192.05977	3.0
202.06422	0.8
202.85664	0.6
203.03494	1.0
203.07118	4.6
205.05060	6.8
205.08693	3.7
207.10217	2.0
211.07614	0.7
213.05515	0.8
217.08684	5.9
219.10211	1.5
226.10881	3.1
231.02927	0.7
244.07468	0.7
245.08199	2.2
246.09042	1.0
247.06090	3.2
247.09631	1.6
259.09833	1.8
271.14600	0.7
283.13477	1.2
289.07224	1.5
290.13983	0.7
315.58752	0.5
325.14453	2.8
333.14734	1.3
353.08728	5.1
354.09045	7.4
369.13391	67.3
370.13760	5.9
481.17294	1.2
516.12524	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	516.1871
Annotation	Unknow
Peak:m/z	Relative Intensity
53.78661	0.8
55.63384	0.7
59.01376	10.8
61.98823	3.0
67.01885	1.0
71.01048	0.7
71.01372	4.4
71.61860	1.0
78.95873	0.9
83.01389	1.6
85.02953	6.0
87.00895	1.3
89.02464	1.5
93.03447	7.9
94.03810	0.8
96.96008	22.9
97.02946	2.8
101.02438	1.8
102.05604	31.1
109.02948	9.7
111.04477	3.7
113.02422	1.6
116.92798	0.9
119.04933	0.9
122.02460	0.8
123.04532	6.4
125.02420	2.5
127.04029	1.0
128.03529	24.1
133.02956	3.7
134.03712	2.0
135.04523	25.7
136.04831	5.7
137.02423	3.5
139.03970	1.1
146.04588	100.0
149.02440	2.5
149.06036	1.1
151.03975	3.1
153.01920	2.0
155.03500	1.6
159.04539	1.1
160.01588	0.8
161.02440	11.6
161.06053	1.9
161.09689	1.2
162.02797	2.3
163.03955	1.5
164.03984	0.8
164.10774	2.5
165.01888	0.8
167.03465	1.9
173.04541	19.4
173.06010	1.1
174.04857	4.7
175.03874	1.5
177.01958	0.9
179.01862	1.2
179.03476	24.0
180.03821	6.7
182.11841	3.4
187.03949	1.7
187.07727	1.0
188.04803	1.0
189.01906	0.9
191.05595	45.6
192.05934	8.4
202.06255	1.9
203.03487	1.5
203.07059	2.3
203.10570	0.8
204.03766	1.0
205.05077	4.4
205.08717	2.3
207.10159	2.0
217.08661	2.4
219.10158	1.1
226.10861	3.2
231.06876	2.5
245.08228	1.8
246.08946	1.3
247.06018	2.2
263.12994	0.9
289.07004	3.9
293.08862	0.9
325.14316	2.7
353.08679	11.4
354.09058	19.3
355.09094	0.8
365.18146	1.6
369.13397	41.6
370.13675	3.0
383.27878	0.9
406.08340	0.8
481.17166	1.6
516.12439	3.2
517.19800	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	515.3735
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03249	0.8
55.31884	0.8
58.56245	0.8
59.01375	100.0
61.98820	1.2
71.62850	1.0
78.95903	4.0
108.09960	0.8
135.04500	2.9
152.99571	6.2
173.04497	1.5
179.03499	2.6
191.05551	2.8
217.82193	0.9
353.08841	5.0
433.23599	1.2
515.34241	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	515.3738
Annotation	Rubianol c
Peak:m/z	Relative Intensity
52.14777	0.5
59.01379	100.0
66.50322	0.5
69.40494	4.2
82.24771	0.5
82.69201	0.5
84.53644	0.7
121.80608	0.5
150.12968	0.5
150.17973	0.6
278.69040	0.5
358.88095	0.6
497.35648	1.5
515.36511	13.8
516.36987	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.3738
Annotation	Unknow
Peak:m/z	Relative Intensity
53.79037	0.8
59.01377	100.0
59.65480	0.6
60.01719	0.8
61.98832	0.9
80.25917	0.7
98.19850	1.8
104.10097	0.6
135.04555	1.3
140.13664	0.7
149.88235	0.6
151.59807	0.7
191.05653	2.1
200.56236	0.7
217.12439	0.7
229.32098	1.0
231.38434	0.7
267.29062	0.7
344.97543	0.7
347.12900	0.7
353.08759	1.5
417.66342	0.7
429.11273	0.7
433.62628	0.8
473.78131	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.301
Annotation	Kadcoccilactone C
Peak:m/z	Relative Intensity
55.01829	0.7
55.66052	0.7
57.03405	0.8
59.01307	6.9
61.98764	1.9
62.11637	0.6
67.01837	0.8
67.04192	0.6
69.65749	3.6
71.01308	2.1
71.04940	5.2
73.02868	1.0
83.04941	3.2
85.02863	2.2
87.00797	1.2
93.03458	5.6
96.95907	1.8
97.06509	0.9
101.02382	1.2
101.03031	0.7
105.01110	0.7
109.02871	1.5
111.04424	1.3
123.04469	0.8
125.02385	0.7
127.03936	0.7
133.02815	1.1
134.03586	0.7
135.04517	10.8
137.02339	2.4
139.03679	0.7
155.03439	0.7
161.02362	1.5
166.77905	0.7
169.12221	1.0
173.04538	8.8
179.03456	8.9
191.05588	22.6
192.05870	0.7
199.07474	1.0
211.02966	0.6
223.16922	1.3
265.29965	0.6
293.21158	0.6
311.22134	1.3
319.71634	0.8
323.23648	1.3
353.08762	10.9
354.09140	1.0
409.31186	1.7
423.28802	2.1
435.29092	1.4
453.30048	11.2
455.26736	1.4
467.27966	100.0
468.28336	6.8
473.27548	1.9
485.29099	0.8
497.28836	1.3
515.12195	2.1
515.29980	85.1
516.30371	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	515.3523
Annotation	Unknow
Peak:m/z	Relative Intensity
57.87000	0.3
70.42500	1.2
74.93070	0.3
106.04256	0.6
107.05037	0.5
112.97712	0.3
120.27954	0.3
163.11267	31.2
164.11578	1.0
175.11223	1.5
176.12004	1.1
177.09215	0.4
177.12840	2.9
190.09964	1.1
206.75255	0.3
207.10231	0.5
208.11017	3.0
257.72855	0.4
267.13818	0.7
281.15546	1.9
282.16168	3.6
283.16968	6.5
293.15558	1.5
295.17044	0.7
309.18530	0.4
324.20889	0.4
335.19907	0.5
339.23224	100.0
340.23572	6.5
351.23239	6.9
352.23395	0.6
515.35242	77.5
516.35632	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	515.3009
Annotation	Adynerin
Peak:m/z	Relative Intensity
59.01356	0.7
60.99301	0.7
62.12065	0.3
69.05703	0.3
69.26690	2.1
69.27101	0.5
71.04646	0.3
71.05019	2.0
83.05021	3.3
84.65282	0.3
93.03415	0.5
94.18497	0.3
97.06591	0.3
125.02419	0.3
135.04539	1.6
161.02386	0.3
173.04501	1.4
179.03436	1.3
191.05589	2.5
257.06931	0.3
323.23810	0.9
334.39334	0.3
353.08466	1.6
409.31070	0.5
423.28918	0.9
435.29080	0.9
451.28384	3.8
453.30063	3.3
454.31091	0.4
467.27966	37.3
468.28348	3.1
497.29211	1.0
515.30078	100.0
516.30469	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	515.1398
Annotation	Unknow
Peak:m/z	Relative Intensity
50.73514	0.4
53.84404	0.4
57.04699	0.4
59.01387	2.3
59.01630	0.4
67.01865	0.6
71.01397	1.8
71.43349	0.4
71.83932	0.3
73.02958	0.4
81.03459	0.6
83.05000	0.4
85.02949	8.7
87.00871	2.1
89.02402	0.6
93.03455	6.6
96.95986	1.7
99.04536	0.4
109.02930	1.8
111.04508	1.5
117.03448	1.1
127.03995	2.3
129.01933	0.5
132.02144	1.0
133.02957	6.8
133.70334	0.3
135.04514	6.0
137.02408	0.5
148.77171	0.4
160.01682	2.9
161.02431	43.4
162.02773	1.4
162.30449	0.3
168.66408	0.5
171.02977	0.6
173.04567	2.8
179.03485	5.0
180.03796	0.4
191.05598	100.0
192.05939	2.1
205.05005	0.7
233.04543	0.9
281.98746	0.4
323.07690	43.2
324.07968	1.8
341.09213	2.0
351.85294	0.5
353.08478	4.2
515.14026	33.9
516.14349	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	515.2493
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03866	0.9
57.03442	1.5
58.56755	1.1
59.01376	100.0
61.98819	3.9
70.58746	3.3
71.01376	21.0
72.40745	1.1
72.99296	1.3
73.02940	4.9
75.00849	1.4
83.01379	4.5
85.02943	8.3
87.00877	4.0
89.02431	8.4
93.03466	5.4
95.01376	2.1
96.96027	3.3
97.02961	2.8
101.02431	13.5
109.02939	2.9
111.00882	1.2
111.04509	2.4
113.02441	7.5
119.03498	4.4
123.04539	2.9
125.02462	6.5
126.13463	1.1
133.02933	1.8
134.03770	1.7
135.04510	16.5
137.02435	7.3
143.03491	3.8
149.02422	1.7
151.03992	2.5
151.71164	1.1
155.03484	2.1
161.02419	4.3
161.04495	3.3
161.06023	1.6
162.03259	1.1
163.04010	1.3
165.01808	1.6
167.03583	1.1
173.04529	12.7
179.03468	16.3
179.05016	1.3
179.05734	1.5
191.05618	26.9
203.07120	2.1
205.04991	1.5
209.11865	1.0
245.08171	4.6
287.69919	1.2
289.07129	11.2
301.03513	3.0
307.18909	1.2
315.17966	1.6
325.20221	2.1
331.04593	2.4
353.08716	17.1
354.09161	1.4
393.22479	1.5
399.07568	1.0
404.01447	1.2
411.23880	10.4
412.24283	1.5
429.24951	7.2
430.59433	1.2
452.70474	1.2
497.32520	2.0
515.11829	2.0
515.19232	15.1
515.27826	10.3
516.19336	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	515.2858
Annotation	Unknow
Peak:m/z	Relative Intensity
56.00134	0.4
59.01376	100.0
60.01710	0.5
61.98819	1.0
69.36737	1.0
69.37156	1.8
71.01377	4.4
73.02951	1.4
83.01361	0.8
85.02952	2.1
89.02442	1.3
93.03478	0.7
95.01386	0.5
96.96011	1.2
100.09583	0.3
101.02435	3.8
105.83604	0.4
105.99047	0.3
109.02979	0.9
111.04501	0.4
113.02454	1.8
119.03503	1.1
135.04538	3.1
137.02432	0.4
143.03528	0.5
161.04596	1.4
170.92886	0.4
173.04526	2.0
177.01952	0.5
179.03497	1.8
179.05620	1.4
191.05602	5.2
194.94983	0.4
198.19739	0.4
279.19678	1.5
312.40903	0.4
315.19641	0.6
349.05673	0.4
353.08768	3.5
395.24524	1.2
413.25327	5.6
455.26556	1.3
515.29865	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.1191
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	0.5
59.01360	1.8
62.26047	0.5
64.54179	0.5
67.01884	3.1
69.03436	0.5
71.01373	1.8
71.07192	1.0
83.05025	0.8
85.02933	4.1
87.00867	1.0
90.80710	0.5
93.03450	15.8
94.03799	0.5
96.16497	0.5
96.95982	0.5
107.05025	0.8
109.02965	1.4
110.81736	0.5
111.04521	4.3
117.03477	0.5
127.03983	0.9
127.46685	0.5
133.02916	1.9
134.03697	2.8
135.04514	49.6
136.04839	1.3
137.02423	3.8
142.33194	0.4
153.01912	0.5
155.03484	4.4
161.02426	5.0
164.38695	0.5
171.02896	0.6
173.04532	69.9
174.04893	1.2
179.03479	57.3
180.03809	1.9
191.05591	52.3
192.05920	0.9
203.03513	2.9
221.30786	0.5
252.04163	0.5
255.06636	0.8
299.05441	0.7
335.07663	1.0
353.08728	100.0
354.08963	4.7
508.74731	0.5
515.11926	6.1
516.12311	0.7
543.40485	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.1191
Annotation	1,3-Dicaffeoylquinic acid
Peak:m/z	Relative Intensity
55.52383	0.8
56.82846	0.7
59.01373	5.4
67.01902	2.9
69.03460	0.9
71.01377	3.0
71.38854	1.7
75.28358	0.8
79.95728	2.2
80.32311	0.7
81.03458	0.9
83.05025	1.1
85.02953	3.3
87.00880	1.1
89.96461	0.8
93.03453	19.8
95.95159	0.9
96.95359	1.6
96.96001	30.6
96.96985	1.9
98.19826	0.8
107.05016	1.0
109.02950	1.1
111.04533	4.7
113.02465	0.8
125.02467	1.4
127.04011	1.5
133.02957	3.0
134.03728	2.4
135.04517	64.2
135.95357	0.8
136.04857	1.3
137.02443	5.1
155.03497	5.5
161.02432	7.1
173.04535	91.6
174.04877	2.2
177.01883	1.4
179.03487	63.9
180.03786	2.4
191.05597	54.6
192.05937	1.9
203.03477	2.1
220.07434	1.1
239.06650	9.9
239.56821	3.8
240.06714	2.1
299.05389	0.9
335.07898	1.8
353.08734	100.0
354.09027	4.9
365.18097	0.9
381.17178	0.8
399.18372	3.4
457.74982	0.8
515.11987	5.4
515.18945	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	515.1191
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	1.6
67.01873	2.4
69.83649	1.4
69.84053	2.6
71.01383	2.0
81.53343	0.7
81.83736	0.7
83.05019	1.1
85.02939	6.8
87.00869	1.4
87.97345	0.7
89.20646	0.6
93.03454	16.6
99.04559	0.8
107.05016	1.0
109.03033	0.7
111.04506	4.8
113.89001	0.8
127.03977	1.8
133.02937	2.8
134.03729	5.1
135.04521	79.6
136.04832	2.1
137.02444	4.1
155.03494	4.6
161.02448	7.9
169.37892	0.8
173.04536	74.7
174.04842	1.3
179.03482	81.0
180.03816	2.7
191.05597	100.0
192.05949	2.2
203.03462	2.3
293.62619	0.7
299.05569	1.1
332.91699	0.7
335.07745	1.3
353.08740	94.0
354.09000	5.0
455.52917	0.6
515.11884	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	515.1189
Annotation	1,3-Dicaffeoylquinic acid
Peak:m/z	Relative Intensity
50.54253	0.5
57.03455	0.6
59.01375	0.9
67.01892	2.2
69.03455	0.8
69.83850	3.4
70.69184	0.6
71.01374	2.5
83.05034	1.7
85.02950	4.1
87.00866	1.5
93.03453	16.7
95.50259	0.6
98.19954	1.3
102.66839	0.6
107.05021	1.0
109.02953	1.2
111.00923	0.8
111.04533	6.7
127.03994	1.4
129.02034	0.6
133.02946	7.2
134.03780	3.0
135.04520	74.0
137.02412	6.9
155.03502	13.6
161.01089	1.3
161.02437	27.8
173.04535	100.0
174.04869	1.4
179.03485	96.0
180.03807	1.5
191.05600	68.9
203.03462	2.3
211.07692	1.0
213.97891	0.6
255.06725	1.0
299.05569	1.1
309.53439	0.7
335.07712	11.6
336.07922	1.3
353.08731	94.1
354.09161	3.2
476.22678	0.7
515.11902	44.2
516.12286	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.1187
Annotation	Unknow
Peak:m/z	Relative Intensity
53.06204	0.3
53.40416	0.5
56.09824	0.4
59.01369	0.4
62.06654	0.4
69.72034	2.2
71.01385	0.5
83.05020	0.4
85.02928	2.7
86.46372	0.4
87.00883	0.9
89.66752	0.4
91.69260	0.4
92.79963	0.4
93.03481	2.3
107.04974	0.6
111.04472	1.2
117.47767	0.4
127.03983	1.3
133.02963	0.8
134.03735	1.8
135.04515	35.5
136.04865	0.9
137.02460	0.5
155.03496	0.9
161.02419	4.7
173.04543	4.3
179.03488	59.3
180.03828	1.5
183.80669	0.4
191.05603	100.0
192.06000	2.2
198.03604	0.4
318.66370	0.5
335.07516	0.8
340.90536	0.5
353.08728	83.0
354.09094	5.4
432.52203	0.5
515.11951	1.3
521.80219	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	514.1327
Annotation	Unknow
Peak:m/z	Relative Intensity
53.53189	1.2
57.47757	1.2
59.01380	10.8
62.24604	1.2
66.51999	1.4
69.55610	9.2
71.01382	8.2
71.89515	1.3
72.99324	3.1
73.82472	1.0
75.49390	1.1
89.02435	10.9
93.03449	2.1
96.96931	2.9
101.02454	4.0
113.02449	3.0
118.64716	1.2
119.03494	3.4
122.02468	7.1
128.02676	1.2
131.08286	2.4
133.01431	3.4
150.18616	1.4
151.78598	1.2
166.72974	1.4
172.01692	13.3
172.06140	5.8
172.89891	1.5
173.04521	5.2
173.09245	4.3
179.05585	4.5
185.79852	1.3
215.03238	6.4
323.12820	1.4
341.10840	31.7
377.08521	100.0
378.08905	4.0
452.89542	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	514.3242
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01367	0.5
61.98826	100.0
69.33141	1.5
69.33481	0.3
71.01362	0.2
85.02959	0.5
87.00909	0.2
93.03468	0.8
109.02958	1.2
111.04529	0.2
123.04541	0.8
125.02444	0.5
125.53832	0.1
127.03984	0.4
133.02983	0.7
134.03720	0.3
135.04512	5.3
137.02399	0.3
147.04582	0.2
151.04028	0.6
161.02441	1.8
173.04507	1.1
177.01930	1.0
179.03477	4.8
180.37943	0.2
187.04001	0.2
189.01929	1.1
190.02425	0.2
191.03745	0.4
191.05589	7.8
191.61043	0.2
203.03566	0.2
213.62653	0.2
216.00729	0.2
217.01398	1.0
219.03036	0.4
231.03009	0.3
245.08234	0.2
259.32169	0.2
289.07242	0.5
289.20737	0.2
289.57141	0.2
290.07669	0.2
291.03403	0.2
323.05597	0.2
339.05417	0.2
341.06604	2.5
341.10565	0.2
353.08743	6.1
353.13031	0.3
433.09665	0.2
451.10208	1.9
452.10501	0.3
452.33038	0.3
454.33929	0.5
514.16681	0.3
514.32684	0.4
515.11438	0.2
515.18024	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.358
Annotation	rubiarbonone C
Peak:m/z	Relative Intensity
52.39729	0.3
54.21548	0.3
54.26813	0.3
59.01099	0.6
59.01375	9.1
70.75381	0.9
71.05001	2.1
71.78434	0.4
93.84602	0.3
105.06433	0.3
118.06429	0.3
123.46135	0.3
306.69498	0.3
327.64993	0.4
432.97665	0.3
453.33493	1.7
469.36826	0.7
481.33478	0.5
483.35025	0.9
495.34735	11.5
496.34836	1.3
513.35767	100.0
514.36145	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	514.0983
Annotation	Unknow
Peak:m/z	Relative Intensity
56.03933	0.7
59.01350	1.1
61.98825	11.7
69.44636	6.0
79.95726	1.8
93.03442	1.4
95.05030	1.3
96.96007	4.3
103.05478	0.9
109.02944	18.4
116.16779	0.8
119.05016	1.1
123.04513	12.0
133.02930	4.1
135.04504	3.4
145.02919	1.6
147.04517	3.2
149.02536	0.8
151.03992	6.3
159.04523	0.9
161.02419	7.2
173.04510	2.7
175.03914	0.9
176.01213	1.2
177.01913	24.4
179.03491	3.5
187.03905	1.4
189.01918	44.5
190.02652	10.2
191.03474	10.7
191.05580	6.2
203.03474	4.9
216.00615	8.1
217.01390	42.8
218.02049	2.1
219.02971	15.0
231.02985	11.0
232.03519	1.6
233.04572	1.1
239.06688	19.2
239.56953	4.1
258.01584	0.9
281.04504	1.2
289.07095	1.7
297.07831	0.9
301.03397	1.5
323.05621	1.6
341.06628	100.0
342.06894	5.4
353.08823	3.4
354.36575	0.8
381.17361	1.0
399.18381	3.4
400.18835	2.2
451.10294	88.6
452.10553	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	513.3577
Annotation	3beta-Acetoxy-18alpha-hydroperoxy-12-oleanen-11-one
Peak:m/z	Relative Intensity
59.01376	37.3
61.98810	2.1
71.01387	1.8
71.61607	1.9
82.02645	0.9
84.88549	1.1
96.96019	1.4
97.19390	1.0
136.63943	1.0
139.39476	1.2
253.09317	5.0
277.21680	26.9
278.21997	1.1
314.68781	1.3
453.12271	1.4
453.27148	2.3
453.33688	63.0
454.34134	5.7
513.35803	100.0
514.36127	10.4
520.01770	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.3064
Annotation	Unknow
Peak:m/z	Relative Intensity
51.08227	0.1
55.01873	0.2
56.38144	0.0
57.03458	0.2
58.00612	0.2
59.01373	5.4
61.98844	0.2
69.03483	0.1
69.25203	0.4
71.01376	4.5
72.99319	0.2
73.02946	0.9
73.03334	0.1
83.01378	0.6
83.01778	0.0
83.05035	0.2
85.02934	1.2
87.00863	0.6
89.02437	3.4
91.03984	0.2
95.01384	0.4
97.02955	0.2
99.00864	0.2
99.04535	0.1
101.02436	4.4
102.02808	0.1
103.04047	0.1
110.70307	0.0
111.04529	0.1
113.02439	1.9
115.03989	0.1
119.03490	1.0
125.02469	0.2
127.07656	0.2
128.24789	0.0
128.97456	0.0
131.03522	0.1
133.05063	0.3
138.21442	0.0
141.09239	0.1
143.03497	0.4
149.04562	0.1
157.05078	0.2
161.04549	1.6
179.05583	0.6
187.06232	0.1
188.04921	0.0
197.11798	0.1
205.19635	0.1
217.07074	0.1
233.22719	0.3
235.06024	0.1
235.08203	1.2
253.09256	16.3
254.09634	0.4
259.20685	0.3
275.20105	0.3
277.21680	100.0
278.22015	5.7
278.25235	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	513.3578
Annotation	rubiarbonone C
Peak:m/z	Relative Intensity
59.01367	3.4
60.67372	0.4
61.98835	0.4
69.51515	2.6
75.09329	0.4
88.26671	0.4
93.03436	0.7
105.40564	0.4
151.76633	0.3
152.99521	0.5
155.34624	0.4
185.65422	0.4
201.06233	0.3
453.33801	3.4
513.35797	100.0
514.36163	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	512.1193
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01367	0.8
61.98816	1.2
69.35246	4.1
71.01376	1.1
71.41516	0.4
85.02930	0.8
89.02440	0.5
93.03433	1.7
96.96008	2.4
96.96960	0.4
98.20667	0.9
104.57155	0.5
109.02976	2.1
123.04479	0.7
125.02411	1.1
127.16602	0.4
137.02483	0.6
149.85904	0.4
150.76135	0.4
151.04012	0.5
153.01920	2.0
153.07834	0.5
155.39607	0.4
161.02458	0.9
165.01895	0.6
173.04544	1.1
179.03500	0.6
180.04309	0.5
191.05609	7.0
192.05957	0.5
209.08203	1.0
216.91179	0.5
227.03294	0.5
240.07529	2.6
240.57666	0.9
241.07208	0.7
241.57655	0.5
248.07065	0.5
267.06567	0.5
289.06992	0.5
292.06100	1.3
295.06012	0.8
304.06070	0.7
306.03922	0.6
320.05728	2.1
334.03436	1.1
335.04327	2.3
336.05087	4.8
339.05066	2.5
348.05099	44.0
349.05872	55.2
350.06274	4.1
360.05209	4.1
362.02975	5.0
362.06815	1.7
364.04608	16.2
365.04956	1.2
376.04526	2.1
377.05255	2.2
378.05988	1.2
381.04791	0.9
383.18881	0.9
384.19415	0.5
388.04745	0.8
390.06000	0.7
392.07724	27.4
393.08008	2.0
406.75992	0.5
407.07117	0.7
422.08774	1.6
458.40076	0.4
497.09457	0.8
512.11914	100.0
513.12067	9.3
513.26740	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.3062
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	0.2
56.88457	0.0
57.03444	0.1
58.00589	0.3
59.01374	5.7
59.98550	0.1
61.98844	0.1
66.40124	0.1
69.03465	0.1
71.01377	4.4
71.62305	0.1
71.74402	0.0
72.99292	0.3
73.02941	0.9
73.03338	0.1
74.15430	0.0
75.00873	0.1
79.33718	0.1
81.03452	0.1
83.01387	0.5
83.05050	0.2
85.02946	1.1
85.03439	0.1
87.00871	0.7
89.02438	3.3
91.04015	0.2
92.68645	0.0
94.87457	0.1
95.01373	0.4
95.05037	0.1
96.96035	0.0
97.02958	0.2
97.06577	0.1
99.00869	0.3
99.04534	0.1
101.02435	4.5
102.02755	0.1
103.04002	0.1
113.02442	2.2
113.06073	0.1
115.03987	0.1
119.03496	1.0
125.02477	0.2
127.07666	0.2
131.03505	0.2
133.05074	0.4
143.03481	0.4
145.05087	0.1
149.04582	0.1
151.00885	0.0
157.05072	0.2
161.04553	1.6
179.05591	0.6
180.90604	0.1
187.06169	0.1
191.05609	0.1
205.19551	0.1
233.15477	0.1
233.22708	0.3
235.08205	1.2
253.09262	16.4
254.09602	0.5
259.20703	0.3
275.20090	0.3
277.21686	100.0
278.22031	5.5
278.25204	0.1
440.01413	0.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.3497
Annotation	Unknow
Peak:m/z	Relative Intensity
53.67766	0.3
59.01375	36.8
60.01710	0.3
61.98825	0.6
65.51693	0.2
69.35217	1.0
69.35646	1.0
81.03449	2.7
83.01343	0.2
83.05018	8.7
84.05323	0.2
92.99915	0.2
93.03453	0.4
96.95998	0.5
108.04543	0.2
109.02937	0.4
123.04491	0.5
124.01648	0.4
125.02447	0.9
125.07213	1.4
133.02939	1.0
135.04553	0.4
143.08238	0.5
149.99617	0.5
167.99300	0.2
168.00626	0.9
173.04512	0.3
177.01920	0.4
187.03928	0.2
191.05539	1.9
207.15036	1.4
224.17656	2.3
225.16069	8.4
226.16331	0.4
242.18755	0.4
250.15559	0.3
309.21680	0.3
309.85068	0.3
314.29099	0.2
324.26450	1.0
333.22940	2.2
337.03546	0.5
349.50867	0.2
351.23944	0.7
358.48367	0.3
367.27161	1.1
427.10596	0.2
433.31686	5.3
434.32056	0.5
451.32849	100.0
452.33176	7.4
456.24759	0.2
488.83060	0.2
511.10748	1.2
511.34796	0.5
512.15576	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.3036
Annotation	Unknow
Peak:m/z	Relative Intensity
57.94322	0.5
58.07243	0.6
61.50484	0.4
70.28543	1.0
70.28921	1.6
73.05193	0.5
78.95898	17.5
90.59719	0.5
96.96945	1.8
99.46221	0.5
115.42449	0.5
149.93770	0.5
152.99576	28.4
153.23785	0.5
171.00603	1.2
208.64000	0.4
227.03244	4.3
245.04247	1.6
283.26404	100.0
284.26764	4.7
357.21317	0.5
419.25717	1.0
440.57541	0.5
467.91083	0.6
511.30368	76.9
512.30664	7.3
512.37646	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.2388
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	2.6
57.03442	5.4
59.01377	45.2
61.98833	26.3
66.29775	2.2
67.01885	3.3
69.03442	2.3
69.42326	6.4
69.42742	9.8
71.01382	66.8
72.99299	4.3
73.02931	8.8
75.00853	2.4
77.03989	2.9
78.95889	3.7
81.03455	4.0
83.01374	4.0
83.05006	5.8
85.02949	21.3
87.00874	8.3
89.02448	9.6
93.03461	33.6
95.05001	4.9
96.96004	16.9
97.02947	8.3
97.06593	3.1
98.20642	4.2
99.00881	8.2
101.02451	17.4
105.03452	11.2
109.02952	12.6
109.06592	29.6
111.04490	2.8
113.02447	9.1
115.03938	2.3
117.03410	3.6
119.05045	3.4
121.02936	6.9
122.03732	3.4
123.04508	8.9
125.02448	20.6
125.09682	2.2
126.02771	2.8
127.03937	2.9
127.11246	1.9
132.02142	3.1
133.02951	90.4
134.03738	12.5
135.04543	18.5
135.08156	2.4
137.02438	23.8
139.04048	3.0
149.02415	11.3
149.06075	4.2
150.03218	5.6
151.03984	7.0
155.03459	2.1
159.04460	4.3
161.02438	88.9
161.04520	4.8
161.09590	2.4
162.02885	4.9
163.03981	2.7
163.11292	21.3
165.01910	4.7
167.03384	2.3
171.10257	6.3
171.69974	2.1
173.04570	21.0
174.03020	2.2
175.03963	5.9
177.01912	35.1
178.02634	4.8
179.03508	11.8
180.03870	2.7
181.12300	8.7
185.11848	2.9
189.01900	2.3
191.05600	100.0
192.05942	4.8
193.05005	14.8
199.13269	11.0
201.09106	2.3
201.11386	3.2
207.10252	82.8
225.11302	56.8
243.02864	3.3
243.12323	13.8
245.08150	2.1
253.09259	12.3
281.06674	6.7
285.03915	2.9
289.07172	10.4
293.04721	3.7
301.03491	2.8
333.06284	2.9
337.12579	2.8
406.40115	2.2
449.14392	6.1
461.20200	13.8
475.12277	23.7
479.21524	10.1
511.22531	54.6
512.24493	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	511.2179
Annotation	Unknow
Peak:m/z	Relative Intensity
54.75106	0.2
57.03457	0.3
59.01377	4.9
61.98842	1.9
64.04390	0.3
67.01898	0.3
69.03441	0.3
71.01381	3.5
71.54632	0.3
72.99294	0.5
73.02943	0.7
77.03971	0.6
83.01369	0.7
85.02937	2.3
85.19025	0.3
87.00883	0.5
89.02439	1.8
89.03925	0.5
93.03454	3.0
95.05003	0.9
96.96000	3.1
98.19891	0.5
101.02420	2.0
105.03446	4.4
109.02950	1.9
110.06107	0.4
113.02448	1.2
117.03449	1.7
119.03478	0.8
121.02947	1.4
122.06116	0.7
123.04499	1.2
125.02441	2.0
131.01357	0.5
132.02170	1.3
133.02950	44.2
134.03726	0.8
135.04518	10.4
137.02423	2.4
139.04015	0.6
144.04536	0.4
149.02443	1.3
149.06088	0.4
150.03229	0.8
151.04004	1.7
155.03479	0.5
160.01643	0.3
161.02432	100.0
162.02771	3.0
163.04097	0.4
165.01894	0.4
172.04037	0.3
173.04564	1.9
177.01923	8.1
177.05580	0.7
178.02539	0.3
179.03496	6.7
187.13351	0.3
191.05588	6.7
192.05962	0.3
200.17805	0.3
204.06631	0.8
212.05899	0.3
221.04532	0.9
227.07115	0.4
237.10323	0.4
239.08310	0.5
245.04471	0.7
251.05669	0.3
251.11917	0.5
252.12550	0.5
255.03212	0.4
267.07538	0.6
268.08484	0.3
268.11954	0.6
280.08255	0.5
281.06656	0.4
281.09341	1.3
285.08716	0.4
289.07159	1.3
294.09756	0.5
295.10678	0.9
296.11673	1.6
299.10355	0.4
331.18893	0.3
333.06088	0.5
337.03381	0.4
349.05652	0.4
351.07077	0.6
391.04434	0.4
418.17709	1.0
436.18521	1.1
474.96518	0.3
480.17703	1.8
494.19476	0.4
511.21793	81.1
512.20703	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	511.218
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03428	0.5
59.01381	4.8
61.98828	0.6
63.43006	0.3
69.26708	0.4
69.27103	2.3
71.01385	3.0
72.99311	0.8
73.02953	0.5
79.95774	0.3
85.02954	1.3
87.00877	0.4
88.98816	0.2
89.02461	1.4
93.03465	0.6
95.01372	0.5
95.95248	0.3
96.38426	0.3
96.96012	0.7
99.00867	0.5
101.02428	1.4
105.03439	0.7
109.02940	0.3
113.02461	0.9
115.01856	0.3
117.03469	1.1
119.03477	0.6
120.68447	0.3
123.04584	0.3
123.61254	0.2
125.02451	0.5
132.02124	1.8
133.02950	32.9
134.03574	0.6
135.04515	8.7
137.02403	0.5
150.03201	0.3
160.01678	0.3
161.02432	100.0
162.02786	2.3
162.47734	0.2
173.04532	0.8
177.01920	0.6
177.05597	0.3
179.03477	5.6
180.03830	0.3
187.13426	0.3
191.05614	1.9
207.10165	0.6
221.04546	0.4
223.11595	0.3
225.11208	0.4
229.73128	0.2
230.59190	0.3
231.06944	0.9
233.93980	0.3
239.06696	0.8
239.56873	0.4
365.17697	0.4
399.18268	0.3
511.21802	83.7
512.22064	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	511.218
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03425	0.4
58.00597	0.2
59.01376	5.0
61.98818	0.7
65.00286	0.2
67.01862	0.2
69.03445	0.2
69.26177	1.8
71.01375	4.0
71.19632	0.1
72.99310	0.3
73.02939	0.5
79.95761	0.4
83.01385	0.3
83.05027	0.2
85.02956	1.3
87.00867	0.4
88.86414	0.2
88.98802	0.4
89.02453	1.5
89.03990	0.2
93.03463	1.0
95.05046	0.3
96.95997	1.3
97.02934	0.3
99.00123	0.2
99.00848	0.3
101.02433	2.1
105.03463	1.0
109.02950	0.5
109.06584	0.4
113.02443	1.1
117.03468	1.3
119.03503	0.4
121.02879	0.3
123.04514	0.4
125.02465	0.3
125.58934	0.2
132.02133	1.4
133.02950	32.7
134.03644	0.9
135.04521	8.5
136.04869	0.4
137.02432	0.7
139.04024	0.2
149.02498	0.3
149.06110	0.4
150.03172	0.2
161.02434	100.0
162.02759	2.7
163.04021	0.3
163.11304	0.2
173.04572	0.8
175.04016	0.4
177.01909	0.6
177.05598	0.4
179.03485	5.0
187.13371	0.5
191.05594	2.7
203.03427	0.3
207.10205	1.2
221.04486	0.5
221.95172	0.2
225.11368	0.9
231.06985	0.6
239.06679	2.6
239.56769	0.5
253.09268	0.2
281.06564	0.5
301.03580	0.2
365.18082	0.5
398.66904	0.2
399.18289	0.7
400.18805	0.4
449.14505	0.2
461.19919	0.2
511.21802	73.7
512.22076	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	511.145
Annotation	CHEBI:67505
Peak:m/z	Relative Intensity
55.01875	0.4
56.18966	0.4
59.01374	2.6
61.98826	1.0
69.71204	1.0
69.71616	1.6
71.01385	4.0
72.99285	0.8
73.02948	0.7
81.03476	0.6
83.01381	0.6
85.02941	2.5
87.00896	0.4
89.02448	0.8
91.01894	0.9
93.03451	1.6
94.02980	0.9
95.01369	1.0
96.96003	1.2
97.02967	0.4
101.02435	2.2
107.01362	0.8
108.02197	1.1
109.02944	42.6
110.03259	0.6
111.00880	0.9
111.04443	0.5
113.02412	2.6
121.02958	1.5
122.02444	0.5
122.03736	3.3
123.00860	1.3
123.04504	1.4
124.01640	0.9
125.02457	1.1
133.02951	1.1
135.00864	0.8
135.04520	5.3
137.02434	1.7
138.01939	1.1
147.04463	0.6
149.02425	1.5
149.06078	0.4
150.03217	25.7
151.04018	5.7
152.01138	1.5
153.01926	75.0
154.02281	1.3
161.02460	1.2
161.04445	0.7
163.04034	1.0
165.01912	1.6
165.05562	25.3
166.02734	0.6
166.05917	1.0
167.03468	1.4
173.04549	1.2
177.01942	1.2
179.03511	4.0
180.04254	2.3
188.37056	0.4
191.05585	6.5
195.02931	2.1
195.06679	0.7
195.62770	0.4
199.06056	0.5
207.02826	0.5
225.04109	0.8
237.04073	1.2
239.79904	0.4
297.06119	37.2
298.06473	1.6
301.07104	0.4
311.07681	1.4
348.05200	0.9
349.05954	0.8
392.07648	0.7
473.12802	1.5
475.14447	0.6
508.88116	0.5
511.14502	100.0
512.15076	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	511.1216
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	43.2
61.98822	15.9
69.09460	7.4
69.36548	7.1
69.91376	7.5
71.01366	45.7
71.61842	13.3
85.02934	24.9
85.14187	7.9
89.02440	29.4
93.03444	31.7
95.01358	9.2
96.96017	37.5
101.02429	19.5
102.90370	7.2
109.02954	19.8
111.41427	8.1
113.02433	16.0
125.02444	21.4
131.32828	7.4
133.06595	22.1
135.04524	89.0
137.02393	10.5
137.56613	8.4
151.03973	27.4
152.33864	8.0
154.01439	10.6
155.03465	10.5
159.04498	8.8
161.02385	11.3
161.04541	9.7
173.04543	17.9
179.03419	16.8
179.05624	12.4
191.05614	100.0
198.98555	7.2
221.04507	12.9
247.06459	25.6
247.41672	7.8
272.07275	9.0
273.03891	8.2
323.09772	33.0
331.04465	15.7
349.18622	10.3
351.78897	9.6
359.07465	10.7
419.01971	8.4
429.13632	10.0
473.12924	21.1
511.11688	46.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.1221
Annotation	Unknow
Peak:m/z	Relative Intensity
51.75718	5.6
59.01383	53.2
61.98821	7.9
66.86637	5.4
67.01883	9.6
69.03416	6.5
69.63628	39.0
71.01374	37.0
72.99310	12.1
73.02932	7.4
75.00813	6.3
77.25176	5.6
77.38898	6.0
83.01386	8.9
85.02956	24.5
87.00874	13.9
89.02435	45.3
91.01917	7.2
93.03450	29.1
96.96007	18.4
99.25310	6.0
101.02445	35.5
109.02937	17.2
111.00878	6.6
111.04486	7.5
113.02451	20.6
119.03481	25.9
119.11402	5.8
123.04520	10.4
125.02437	25.4
133.06592	18.8
135.02979	11.2
135.04483	62.6
137.02422	21.3
151.00279	7.1
151.04005	40.8
154.01439	7.8
161.02463	14.5
161.04527	11.3
173.04533	15.7
177.05640	6.8
179.03485	7.4
179.05521	10.6
191.05618	100.0
192.05972	11.0
203.07008	6.9
221.04480	6.6
221.06534	10.8
247.06429	26.9
259.02466	6.7
271.02402	13.9
272.07214	14.0
272.57523	13.4
301.03354	9.2
309.82175	5.9
323.09879	39.8
327.10886	7.3
328.11298	7.9
331.04401	12.8
337.03748	7.4
346.61462	6.0
359.07391	17.6
359.34409	6.6
421.08057	7.7
429.14008	9.6
451.18451	7.7
451.25348	9.4
473.12793	18.5
511.11511	57.3
511.18201	6.6
512.12018	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	509.3398
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01391	56.9
61.98819	100.0
66.27448	51.3
71.62659	95.2
80.63937	51.8
96.95999	79.9
102.56142	59.5
133.58922	55.3
216.64929	57.0
216.81729	58.5
224.58183	55.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.3396
Annotation	Unknow
Peak:m/z	Relative Intensity
70.07025	100.0
70.07429	56.4
83.42481	25.6
90.67061	25.5
98.19961	38.2
105.76756	25.4
160.01694	28.9
203.06154	27.8
270.20166	32.0
272.96078	27.4
281.23654	30.2
328.26056	29.2
529.10938	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	509.3396
Annotation	Unknow
Peak:m/z	Relative Intensity
60.48984	11.2
64.04545	10.3
65.25008	10.7
69.80640	74.8
143.11127	11.6
280.23624	13.4
301.36246	14.8
305.28214	13.0
509.27399	19.9
509.33932	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	509.3397
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	29.1
60.97303	28.0
70.76819	71.3
70.77184	32.5
76.62068	32.5
96.96015	35.6
98.20585	33.9
104.04443	30.5
136.86356	25.4
137.99049	30.7
168.00137	33.7
253.85158	32.9
255.23380	36.1
278.43579	27.2
281.24667	34.9
282.25208	100.0
284.25681	37.6
314.17886	29.7
509.27264	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	509.2882
Annotation	Unknow
Peak:m/z	Relative Intensity
58.92985	0.3
62.51521	0.3
68.76846	0.3
71.38605	0.5
78.95901	16.4
80.28918	0.3
88.53850	0.3
96.96960	1.2
150.98029	0.7
152.99585	30.3
171.00592	1.1
171.20332	0.3
181.20963	0.3
181.60350	0.3
206.19492	0.3
227.03214	3.8
245.04288	0.8
281.24829	100.0
282.25156	5.8
312.56723	0.4
417.24063	0.6
509.28784	68.1
510.29132	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	509.3397
Annotation	Unknow
Peak:m/z	Relative Intensity
52.42711	18.4
57.26197	18.2
59.01361	27.8
61.98815	45.5
69.38427	100.0
69.38849	51.1
96.96006	50.2
98.19864	36.6
123.09368	19.1
138.75829	21.6
139.11324	23.9
155.10719	35.6
162.83894	57.1
199.09723	23.9
209.11726	41.3
239.13904	21.2
291.19373	22.3
309.20563	25.7
509.34665	37.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.2403
Annotation	Unknow
Peak:m/z	Relative Intensity
55.03926	0.8
58.00582	1.1
59.01377	35.7
61.98823	1.1
69.03441	2.2
71.01382	18.7
72.99315	2.2
80.96502	1.1
83.01408	1.4
85.02935	4.7
87.00868	2.0
89.02445	18.7
93.03432	1.0
95.01387	1.6
95.48289	0.7
96.95978	1.2
97.02945	1.9
101.02444	14.6
106.77969	0.9
107.01391	2.1
113.02453	8.8
119.03503	8.6
123.00867	1.3
125.02442	2.5
133.03018	0.7
135.00830	1.5
149.04465	0.9
151.00334	1.6
152.00848	0.9
153.00832	0.8
173.04512	1.5
179.05634	1.9
181.84830	0.9
191.05597	2.8
227.53200	0.7
242.05815	1.1
242.60541	0.8
242.90149	0.7
243.06512	1.9
244.06590	1.7
261.57455	0.8
271.86649	1.0
285.18610	5.5
335.22147	0.8
448.13303	0.8
449.13617	7.1
465.24872	100.0
466.25235	9.3
491.13531	0.8
509.16541	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.2404
Annotation	Unknow
Peak:m/z	Relative Intensity
54.61049	0.7
58.00582	1.1
59.01375	36.2
61.98828	1.4
69.03468	1.8
70.77586	0.8
71.01373	23.2
71.01771	1.4
71.62290	0.9
72.99290	1.9
73.02941	2.0
79.01876	1.0
80.96516	1.6
81.03453	0.9
83.01381	1.1
85.02921	5.7
87.00845	0.8
87.04520	0.9
89.02435	19.8
93.03436	1.1
95.01386	3.4
96.96014	2.0
97.02940	1.0
101.02430	15.1
107.01408	2.4
108.93031	0.8
113.02438	8.4
119.03498	10.4
123.00862	0.8
125.02444	3.0
130.64383	1.1
135.00900	1.6
136.01176	0.9
151.00323	2.3
156.81024	0.9
161.02354	1.1
173.04503	1.5
179.05586	1.0
191.05550	2.2
242.05847	1.5
243.06161	1.4
244.06511	1.8
284.46219	0.9
285.18607	6.0
394.07123	1.1
448.12836	1.1
449.13428	6.7
465.24857	100.0
466.25198	8.8
509.17081	3.1
509.24313	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	507.324
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01645	6.5
60.40006	6.7
61.98814	15.8
68.63699	6.9
70.89462	15.9
71.43851	6.7
91.11115	9.0
96.96003	8.5
135.90430	7.0
155.10704	12.6
170.94341	6.7
175.96184	6.4
187.89737	7.4
203.61760	7.8
222.31194	7.6
234.31918	6.0
237.40860	6.9
255.46410	6.9
295.02948	8.3
307.19067	11.3
471.34888	100.0
507.36859	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	508.1304
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	0.7
61.98827	100.0
70.10214	0.1
71.01407	0.3
77.81435	0.2
80.64193	0.2
81.29800	0.1
85.02931	0.2
89.02439	0.2
91.96519	0.2
93.03436	0.2
94.02989	0.4
96.96014	0.4
105.35250	0.2
111.68733	0.2
120.01259	0.7
125.02424	0.2
138.01978	0.8
149.33549	0.2
151.13220	0.2
160.01659	0.2
175.03987	0.4
180.02971	0.7
191.05621	0.6
212.80528	0.2
240.05183	0.6
302.03745	0.2
328.12732	0.3
333.51932	0.2
370.69431	0.2
378.19293	0.3
473.16809	0.5
508.22037	0.6
509.21655	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	508.2678
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25678	0.8
59.01381	2.7
59.23499	0.8
61.98832	3.2
62.92752	1.0
69.03436	1.2
78.95901	100.0
81.07746	0.9
84.74384	0.9
96.96964	7.2
101.08181	1.0
113.09724	4.6
113.25100	0.9
125.00075	1.1
140.01181	7.5
152.98337	1.8
152.99585	31.9
160.54633	0.8
167.10786	2.1
171.00627	25.3
171.10342	1.0
195.13869	6.2
196.03789	7.2
205.12268	2.0
209.11798	2.0
214.04820	3.8
223.13356	9.8
293.21228	42.6
294.21503	2.3
346.14194	2.7
392.18454	2.3
416.22223	2.5
420.17889	31.2
490.25745	28.3
491.26047	2.3
508.26663	5.5
508.33279	1.7
509.28186	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	507.3241
Annotation	Unknow
Peak:m/z	Relative Intensity
57.37180	55.0
70.65961	100.0
117.07616	59.4
157.56212	51.9
174.30237	54.6
221.71338	59.1
246.90054	67.3
279.23285	91.0
339.64005	79.4
355.21158	66.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.3243
Annotation	Unknow
Peak:m/z	Relative Intensity
57.68469	1.1
59.01366	1.8
61.98814	1.8
65.17172	1.0
65.55276	1.1
78.95904	25.5
85.78819	1.1
88.48354	1.1
96.96951	1.4
98.19810	3.7
129.00851	1.1
152.98369	1.6
152.99580	31.9
154.00331	1.2
171.00600	1.2
224.06874	1.3
227.03181	4.0
279.23257	100.0
280.23566	5.3
281.24869	10.5
282.22284	1.6
282.25180	22.0
471.34619	1.8
507.27008	58.4
507.32147	4.7
508.26691	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	507.3238
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03413	9.8
61.98828	12.6
75.00885	12.6
78.95908	19.4
96.95992	52.4
113.02451	10.3
113.39919	10.4
169.55305	9.6
179.08533	10.1
229.36504	13.5
256.23578	25.1
278.58426	10.2
279.23199	27.9
280.08871	10.8
380.50784	13.3
507.31396	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	507.324
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13129	11.2
57.89088	13.1
60.59740	12.3
63.62402	13.9
69.48702	100.0
79.28627	11.7
102.31359	13.9
160.43050	15.3
175.88760	14.2
402.72913	13.4
473.22046	16.2
507.37009	26.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.2959
Annotation	Siserrone A
Peak:m/z	Relative Intensity
59.01378	3.5
61.98840	0.9
66.92033	0.4
69.76957	2.2
71.01393	0.9
78.95904	1.4
85.02956	0.4
89.02461	0.7
91.04003	0.7
105.17360	0.4
117.03463	19.6
118.03819	0.4
119.05020	30.0
120.05360	0.8
121.02958	2.9
122.70496	0.5
123.04529	0.6
133.02914	0.5
145.02943	100.0
146.03290	2.4
162.03207	0.8
163.04001	20.5
164.04384	0.6
173.04704	0.5
187.11980	0.5
191.05617	1.1
210.08208	0.5
269.21210	1.5
287.22250	9.3
293.21136	0.7
347.25986	0.7
389.26553	0.5
415.19238	1.0
415.24847	17.7
416.25162	1.2
433.25888	16.2
434.26242	1.0
447.13507	0.5
507.29581	82.6
508.29974	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	507.2442
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	1.3
57.03437	1.1
58.00586	1.3
59.01375	41.8
69.03442	1.3
71.01380	38.6
72.99291	2.0
73.02946	8.8
81.03460	0.6
83.01376	4.5
85.02949	12.6
87.00872	2.6
89.02440	23.1
89.08456	0.6
93.03442	1.4
95.01391	1.8
97.02933	2.0
98.19807	1.1
99.00873	3.2
101.02441	21.7
111.00864	2.2
113.02444	10.8
119.03510	2.1
125.02425	2.9
129.01926	0.8
131.03494	12.0
135.04486	0.8
143.03448	1.1
149.04538	6.7
153.02275	0.6
159.02977	1.2
161.02434	0.7
161.04539	10.3
161.38673	0.6
173.04524	2.0
191.05632	8.1
204.84805	0.6
229.79208	0.9
233.06682	1.8
293.08865	1.8
315.18140	12.0
394.50598	0.6
447.22302	100.0
448.22595	6.5
460.52087	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.2441
Annotation	Unknow
Peak:m/z	Relative Intensity
53.10027	1.2
55.01883	1.6
57.03450	1.6
58.00578	1.8
59.01377	67.8
69.03489	1.3
69.93446	2.9
69.93837	2.5
71.01376	44.1
72.99299	3.4
73.02941	12.6
74.38210	1.4
83.01366	4.1
85.02956	9.4
87.00854	4.0
89.02441	55.4
90.83351	1.1
93.03457	7.0
95.01400	3.0
96.95988	1.6
97.02917	2.6
99.00888	12.6
101.02448	27.5
101.20366	1.2
109.02949	2.3
111.04481	1.4
113.02461	13.1
115.03944	1.6
119.03492	12.0
123.04515	1.4
125.02410	2.3
131.03496	7.8
135.04506	3.9
143.03479	2.2
149.03477	2.1
149.04558	23.3
153.11319	1.4
156.65627	1.4
159.66124	1.4
161.02444	2.4
161.04523	3.7
173.04527	9.4
176.19415	1.3
177.01817	1.4
179.03491	1.6
179.05602	6.8
181.10681	1.4
191.05609	29.5
192.05931	2.6
255.06668	2.1
257.07178	4.1
258.01657	3.8
258.07486	1.8
259.02237	7.5
260.02219	4.6
261.02698	1.9
271.02493	2.6
272.02878	2.0
273.03363	3.5
274.04031	2.0
275.04599	1.6
293.56525	1.4
301.03555	9.8
302.03812	7.8
303.04050	12.2
315.18011	3.6
331.04352	4.5
332.04922	3.6
333.05145	9.9
399.08649	1.5
420.15857	1.7
447.22345	100.0
448.22546	5.0
461.13699	2.6
463.13943	5.7
463.25372	8.5
507.13593	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	507.1562
Annotation	Unknow
Peak:m/z	Relative Intensity
51.92300	0.7
54.70934	0.6
59.01361	1.6
69.69704	3.3
71.01379	1.6
72.99273	1.2
75.00869	8.2
78.30201	0.6
83.37715	0.7
87.00874	18.5
89.02418	0.8
93.03436	0.8
95.41391	0.7
99.00865	3.0
101.02453	1.6
101.90807	0.9
105.01923	20.6
111.35937	0.7
129.01949	1.1
135.04504	1.3
147.03004	4.6
151.02599	1.4
165.04031	100.0
166.04402	1.6
191.05577	1.6
217.31042	0.8
283.06955	1.2
290.18173	0.7
343.02966	0.9
389.46933	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.114
Annotation	Moghanin A
Peak:m/z	Relative Intensity
59.01373	11.7
60.65784	0.5
60.99305	3.0
61.98824	1.0
67.49387	0.5
69.03442	2.2
69.39254	1.5
69.39671	2.4
70.01698	0.5
71.01379	6.0
72.99261	0.9
73.02926	1.6
81.03445	0.6
83.01369	2.0
85.02939	3.6
85.31790	0.4
87.00848	1.6
88.98805	20.9
89.02444	5.0
93.03456	2.4
95.01391	2.2
96.73210	0.4
96.95998	2.3
97.02937	2.1
98.95621	0.7
99.00871	1.0
99.04500	0.7
101.02425	4.0
107.01374	1.5
108.02152	1.0
109.02940	1.6
111.04462	0.9
113.02440	2.6
119.03483	1.6
119.04997	1.2
121.02961	1.1
123.00880	7.8
123.04514	1.0
124.00732	0.5
124.01655	16.6
125.02441	37.7
126.02752	0.7
132.02141	1.3
133.02899	1.6
134.03735	6.7
135.04526	5.0
136.04861	0.5
137.02440	3.7
139.03954	0.9
143.03496	0.6
144.04637	0.5
149.02440	0.7
149.06070	1.2
149.99573	29.8
151.00311	2.1
151.03983	1.1
160.01666	6.3
161.02451	4.3
161.04523	0.7
163.03998	0.8
164.59875	0.5
165.01891	0.8
166.99846	0.5
167.03461	1.6
168.00630	56.0
169.01419	4.5
173.04514	3.6
175.00381	0.7
175.03986	10.1
176.01051	0.6
176.04507	0.5
179.03493	2.4
179.05586	1.7
190.02705	2.4
191.03775	0.5
191.05589	11.0
192.05783	0.7
193.01312	0.9
193.04990	3.1
205.05049	2.5
205.12248	0.9
285.04056	0.6
313.05539	4.5
315.12561	0.5
317.11331	0.7
331.06641	13.2
332.07013	0.6
337.09167	1.0
343.13016	0.6
345.16626	0.7
353.08624	0.9
367.10306	0.7
426.10791	1.0
447.25699	2.6
465.26920	1.1
489.10303	1.2
507.11325	100.0
507.27936	13.7
508.11572	6.6
521.08105	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.0778
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	8.8
61.98827	2.9
62.59350	0.8
69.03464	1.3
71.01367	4.1
71.05016	11.4
80.46684	1.1
83.01363	2.3
85.02949	2.2
89.02447	1.2
93.03443	3.9
95.01378	1.1
95.04988	1.3
96.95994	3.7
97.02926	4.1
101.02422	1.4
107.01394	1.1
107.05081	1.0
109.02953	4.8
111.04511	1.2
113.57711	0.9
115.00375	1.2
121.02943	1.4
123.00809	1.3
123.04489	2.6
125.02420	4.1
133.02953	10.9
135.04510	12.0
137.02440	15.1
139.04002	44.4
147.03011	2.2
149.02429	1.1
150.03188	3.2
151.00357	7.6
151.03949	3.6
161.02434	31.3
163.03975	2.0
165.01895	4.8
165.05518	2.6
167.03333	1.1
171.04445	1.2
173.04500	3.4
173.05928	1.4
174.03191	1.2
174.04764	1.0
177.05504	2.5
179.03477	7.6
183.02934	3.6
191.05602	9.0
192.05922	1.4
193.04973	1.5
199.03944	0.9
202.06152	1.2
203.03592	1.2
211.04077	0.9
211.06036	1.4
215.03601	1.3
221.04536	4.6
227.03467	3.6
227.12830	2.3
229.01453	1.6
229.04988	4.2
229.31348	1.4
242.02301	1.6
243.02946	2.1
244.07248	1.1
247.06451	2.0
255.02989	1.2
258.01660	33.8
259.02423	16.4
271.02451	24.4
272.03238	16.5
273.04019	33.5
283.02487	9.5
285.04037	9.7
285.07202	1.8
298.01096	4.3
301.03522	100.0
302.03952	6.5
303.08716	21.7
304.02072	2.6
304.09113	1.3
313.03525	10.2
323.07681	5.5
331.04550	42.9
331.08560	2.2
343.04465	1.2
361.05936	1.0
383.09912	1.1
385.05447	1.2
403.06668	37.7
404.07043	2.8
421.07568	4.4
463.08713	92.1
464.09085	7.3
489.10330	12.4
490.10568	1.2
507.11325	27.3
508.11722	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	505.353
Annotation	Lycernuic acid D
Peak:m/z	Relative Intensity
52.33321	0.2
57.03438	0.4
59.01352	0.2
60.63321	0.2
66.18655	0.2
71.05012	0.5
71.19020	0.3
87.04504	11.6
94.58800	0.2
120.10842	0.2
123.08157	0.4
123.98085	0.2
179.31992	0.2
225.75941	0.2
323.23746	0.7
339.26862	4.6
340.27133	0.3
355.30093	0.6
373.31082	0.4
391.30243	0.3
393.28210	0.2
401.15433	0.2
409.30969	0.4
411.28979	0.5
427.32053	1.9
443.35254	26.2
444.35577	2.2
461.36295	7.6
462.36584	0.5
483.90460	0.2
487.34222	4.5
488.34528	0.5
505.35300	100.0
506.35620	10.2
506.43320	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.3377
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	0.5
57.03432	1.1
58.00602	0.2
59.01375	100.0
60.01709	0.5
61.98832	0.3
67.01898	0.2
69.03460	0.2
70.44591	0.2
70.44933	0.6
71.01379	8.9
71.05040	0.2
72.99302	0.4
73.02937	2.7
75.00863	0.2
78.95897	1.3
81.03466	0.2
83.01382	1.8
83.05030	1.4
85.02438	0.3
85.02948	6.2
85.03449	0.3
86.00103	0.3
87.00887	0.5
89.02444	1.3
93.03468	0.7
95.01403	0.9
96.96002	0.3
97.02934	0.4
97.06586	0.3
99.00872	1.0
101.02436	4.8
101.03092	0.3
109.02906	0.2
111.00874	0.4
113.02441	4.7
119.03493	0.2
125.02456	0.5
127.04019	0.2
133.02960	0.3
135.04507	0.3
137.02507	0.3
137.09763	0.4
141.09195	0.2
143.03526	0.7
159.03009	0.6
161.02475	0.3
161.04539	2.0
171.00677	0.3
173.04568	0.5
191.05579	3.9
192.05977	0.3
197.11847	0.5
209.11833	1.0
210.12225	0.2
231.07001	0.2
253.09233	0.2
283.13498	0.2
301.24268	0.2
301.27304	0.8
331.24118	0.2
333.79663	0.2
343.28839	0.3
425.90286	0.2
443.41818	0.2
445.31656	16.5
446.31631	1.1
463.32715	11.2
464.33142	0.8
489.20346	1.1
489.70782	0.4
504.71350	0.2
505.34262	3.5
506.25305	0.9
506.33252	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.3014
Annotation	Ile-Leu-Val-Tyr
Peak:m/z	Relative Intensity
50.87428	0.4
52.36056	0.4
55.01865	0.7
57.03430	1.7
59.01374	10.5
61.42730	0.5
67.01868	0.8
68.99809	1.1
69.03448	0.7
69.10777	0.5
70.36238	1.1
71.01384	11.5
72.99313	3.8
73.02929	1.1
73.97281	0.5
74.80586	0.5
75.00865	14.1
75.14482	0.5
83.01387	0.8
85.02936	13.5
87.00859	5.6
89.02420	2.5
93.03437	0.5
95.01376	4.3
96.34879	0.5
99.00861	7.0
103.00352	1.3
111.00866	0.8
113.02445	18.4
115.00360	1.5
117.01936	2.3
129.01945	1.3
175.02426	2.5
205.07195	1.3
231.05080	1.4
249.03485	0.5
249.06125	13.4
255.23265	83.6
256.23508	3.6
267.07074	2.7
368.83325	0.5
445.27600	0.9
465.19351	0.5
484.82550	0.5
487.28888	3.1
505.30139	100.0
506.30453	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	505.3016
Annotation	Ile-Leu-Val-Tyr
Peak:m/z	Relative Intensity
52.96801	0.5
57.03433	2.1
59.01378	10.5
70.19820	0.6
70.47079	0.8
70.47456	1.0
71.00995	0.8
71.01379	14.9
72.99297	4.4
73.02946	1.4
75.00867	13.6
78.72815	0.5
83.01393	0.8
85.02943	16.7
85.03453	1.1
87.00866	5.3
89.02442	4.4
89.37531	0.4
95.01390	4.4
99.00877	7.3
101.02410	0.6
103.00357	1.8
108.35180	0.5
113.02441	25.2
114.02753	0.7
115.00344	1.5
117.01918	2.3
117.30054	0.5
129.01920	1.3
137.10800	0.5
147.00237	0.4
153.24197	0.5
157.01367	1.0
170.00867	0.5
175.02473	3.1
205.07138	1.7
220.37558	0.5
223.08177	0.9
231.05077	0.5
249.06123	5.2
255.23265	62.7
256.23651	3.5
267.07230	4.8
487.29160	1.9
505.30148	100.0
506.30441	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	505.2651
Annotation	Foliasalacioside E3
Peak:m/z	Relative Intensity
52.12431	0.2
55.01876	2.7
57.03448	2.0
58.00583	0.7
58.99923	0.2
59.01377	18.5
61.98831	0.3
64.95877	0.2
66.55746	0.2
69.03461	1.2
69.72064	1.3
70.20524	0.2
71.01377	32.7
72.99286	1.1
73.02941	15.0
75.00866	0.9
79.95731	0.5
81.03432	0.5
83.01382	6.1
85.02946	15.5
86.00122	0.5
86.03271	0.2
87.00871	2.0
89.02440	9.4
89.02992	0.5
93.03467	0.6
95.01382	2.4
96.96005	2.8
97.02936	1.9
98.19958	0.3
99.00868	6.8
99.01519	0.3
101.02436	27.3
102.02732	0.2
108.05175	0.2
109.02993	0.2
110.87633	0.2
111.00901	1.0
113.02443	13.5
115.03997	1.0
119.03494	1.7
124.01575	0.2
125.02431	2.6
126.27822	0.2
129.01927	0.8
131.01941	0.2
131.03500	1.9
133.02988	0.4
135.04504	1.1
137.02463	0.2
143.03508	1.7
145.02927	0.2
149.04579	1.1
159.02982	2.6
161.02573	1.3
161.04538	10.1
173.04518	0.9
175.03795	0.3
179.03517	0.6
179.05641	0.3
191.05592	2.5
196.18137	0.2
233.06680	1.6
239.06693	2.7
262.90961	0.2
293.08859	0.7
293.62973	0.2
294.58041	0.2
323.07706	0.3
333.66779	0.2
353.08484	0.3
355.21167	0.5
373.22266	28.6
374.22675	1.6
379.00751	0.2
381.17371	0.5
415.18024	0.4
417.20911	0.3
445.20038	0.2
461.14569	0.5
487.25458	0.3
505.26501	100.0
506.26804	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	505.2802
Annotation	Mucronine A
Peak:m/z	Relative Intensity
59.01366	1.8
69.94450	0.4
69.94866	0.6
71.01378	0.5
81.82478	0.2
89.02460	0.5
91.03996	0.6
93.03481	0.3
95.01405	0.2
98.20591	0.4
117.03458	21.6
118.03735	0.5
119.05015	31.0
120.05331	0.5
121.02950	3.3
123.04510	1.3
126.90099	0.2
132.67470	0.2
133.02940	0.8
134.03770	0.3
145.02940	100.0
146.03288	2.2
162.03239	0.9
163.03995	22.6
164.04320	0.6
237.07591	0.2
267.19604	1.9
285.20673	8.3
286.21176	0.3
341.93387	0.2
345.24228	0.6
369.24451	0.2
413.23276	15.3
414.23587	1.0
431.24316	15.2
432.24603	1.3
492.02246	0.2
492.39038	0.2
505.28003	77.5
506.28281	6.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.2569
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	2.2
60.05758	0.4
61.98831	0.4
70.76226	0.9
70.76604	0.9
78.95901	26.2
83.04994	0.5
83.62827	0.4
96.96999	2.2
150.94368	0.5
150.98077	0.6
152.99577	41.1
171.00621	2.2
173.18626	0.4
212.13618	0.4
220.19861	0.4
227.03233	6.2
233.22623	1.0
245.04321	1.9
259.20721	0.5
275.20074	0.9
277.21689	100.0
278.22083	5.0
287.46848	0.4
313.07745	0.5
337.24521	0.4
407.82193	0.4
413.20941	0.9
505.25681	82.8
506.25964	5.9
515.77228	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.0652
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01370	0.4
61.98824	0.6
63.71279	0.2
67.37421	0.2
69.71501	1.5
71.01350	0.3
78.95899	0.6
79.95731	2.3
80.04490	0.2
83.04989	0.3
85.02933	0.4
85.09357	0.2
87.00844	0.5
93.03456	1.1
96.96007	100.0
109.02933	0.6
119.05026	0.4
121.02991	0.3
123.04504	0.4
125.02386	0.3
131.35973	0.2
135.04497	0.7
137.02423	0.4
149.27629	0.3
151.00368	0.6
151.03995	0.4
161.02449	1.1
163.03995	0.5
173.04561	0.6
179.03481	0.5
191.05603	6.2
245.04498	3.5
255.81519	0.3
279.45941	0.3
287.05682	0.5
329.10101	0.3
407.09763	1.6
472.71628	0.3
496.11203	0.7
505.15802	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.1353
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	0.8
57.03450	2.2
59.01374	21.0
60.01706	1.2
61.01787	0.8
61.98825	3.3
68.99840	0.7
69.03485	0.8
69.51434	5.0
71.01377	15.8
72.99314	2.2
73.02938	4.2
79.95724	1.1
81.03508	0.9
81.58089	0.7
83.01380	3.1
85.02951	11.9
85.06597	1.4
87.00874	2.2
89.02425	7.3
93.03452	56.4
94.03800	1.2
95.01407	2.6
96.96019	4.1
97.02980	1.1
99.00900	3.5
101.02435	9.0
107.01435	0.7
108.02161	8.5
109.02946	11.6
109.34118	0.8
111.04556	1.2
112.31252	0.7
113.02444	8.5
119.03526	2.1
123.00871	0.8
125.02421	4.6
128.03543	1.0
131.03517	1.4
133.02957	1.5
134.03763	2.0
135.04506	3.6
136.01639	0.9
137.02435	100.0
138.02786	2.2
143.03539	1.5
147.04440	0.8
149.02437	2.4
149.04521	2.0
151.00386	1.8
151.03978	6.7
152.01167	7.0
153.01949	6.2
153.09261	0.7
161.02443	4.0
161.04556	2.9
163.03952	1.4
164.04749	1.2
165.05556	1.9
173.04538	4.4
175.00314	1.2
175.03986	1.3
177.01993	0.8
179.03485	2.1
182.38272	0.8
190.02715	5.0
190.92401	0.7
191.03685	1.6
191.05579	15.6
192.05931	1.8
193.06161	1.0
198.22377	0.8
205.05000	5.3
209.11842	1.9
217.01672	1.0
223.06161	0.8
231.06989	0.9
238.06270	1.0
257.08151	3.5
258.01639	10.8
259.02188	1.1
261.03809	1.0
271.02405	5.9
272.03204	5.7
273.04056	2.0
283.02432	1.3
285.04080	1.2
298.01083	0.9
299.02081	1.6
299.05176	1.1
301.03531	24.6
301.10632	1.8
302.03909	0.9
306.07498	0.8
312.14145	0.7
315.04944	1.4
316.72485	0.7
333.04132	1.1
339.04993	1.5
343.04559	6.8
361.29260	1.1
367.04684	2.2
367.10333	3.5
369.24112	1.2
373.22391	2.4
385.04944	3.8
385.09302	3.1
403.06677	4.5
423.39761	0.9
453.29935	1.8
471.31088	5.5
473.32660	2.7
504.32739	5.1
505.13455	30.9
505.26321	13.4
505.33179	14.4
506.13791	1.7
506.26538	0.9
506.33636	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.3373
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	6.0
61.49799	0.2
63.11795	0.3
64.66129	0.2
69.03439	0.5
69.77487	1.5
83.05009	0.4
85.02932	1.6
93.07072	0.4
98.20655	0.3
98.21538	0.3
100.56235	0.3
113.11464	0.2
123.08160	0.8
181.22235	0.3
187.01447	0.2
246.43263	0.2
249.48790	0.2
267.36157	0.3
323.23755	1.2
339.26932	5.2
340.27310	0.5
355.30057	10.4
356.30502	0.6
383.29404	0.3
393.31686	1.5
399.29001	0.7
405.31580	1.0
407.29572	0.9
423.32657	3.9
424.32941	0.7
426.74768	0.3
459.34732	7.4
460.34912	0.8
467.31345	0.3
469.33029	0.4
485.32581	1.3
503.33743	100.0
504.34091	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	505.065
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	0.6
61.98828	0.4
65.00312	0.2
65.58955	0.2
71.01363	0.4
71.61477	0.4
71.61855	0.2
78.95908	0.6
79.95732	2.8
85.02960	0.5
87.00864	0.3
93.03444	0.5
96.96007	100.0
107.01395	0.3
109.02911	0.5
114.01940	0.3
121.02994	0.2
125.02426	0.4
133.02994	0.4
133.63922	0.2
135.04526	0.4
137.02441	0.3
151.00375	0.8
151.03932	0.3
161.02507	1.1
163.04060	0.4
165.01736	0.2
173.04570	0.6
191.05603	3.6
230.64603	0.2
245.04495	3.9
246.04849	0.2
287.05655	0.5
316.76685	0.2
329.10229	0.3
373.09283	0.2
407.09787	1.9
422.97675	0.2
479.19843	0.2
483.97092	0.2
505.15424	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.3373
Annotation	MADECASSIC ACID
Peak:m/z	Relative Intensity
54.17708	0.2
55.01847	0.3
58.42604	0.3
58.83548	0.2
59.01368	0.4
68.96860	0.3
69.03455	0.4
70.02201	1.2
70.02477	0.3
75.40195	0.2
93.07087	2.4
97.06561	0.8
101.89854	0.2
123.08096	0.6
144.47484	0.2
160.84221	0.4
182.57228	0.2
185.16353	0.2
188.36899	0.3
325.25204	0.4
329.24820	0.6
339.26959	0.3
355.29840	0.5
361.25168	0.5
377.28445	1.1
379.33615	0.2
389.28427	3.1
391.30353	0.4
393.31589	7.0
394.32065	0.4
405.31567	10.9
406.31976	1.2
407.29459	1.8
409.31036	0.3
419.29498	0.4
423.32703	1.9
437.30627	0.3
449.30310	0.3
459.34763	7.4
460.35175	0.6
485.32642	1.4
503.33719	100.0
504.34088	10.1
504.41751	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.3374
Annotation	Unknow
Peak:m/z	Relative Intensity
52.03795	0.2
57.03447	3.3
59.01369	0.4
60.19428	0.2
61.98811	0.2
69.03445	0.6
71.01385	0.4
71.57490	0.2
71.62349	0.2
73.02939	4.4
78.60126	0.2
81.03442	0.4
83.01382	0.3
84.02200	0.2
91.54311	0.2
96.96047	0.2
99.02159	0.2
123.08121	0.4
191.05595	0.3
226.12242	0.2
309.22232	0.5
325.25308	2.0
335.23770	0.2
339.27032	0.2
341.28424	0.9
351.26837	1.3
367.29984	3.7
368.30505	0.3
405.31543	0.6
407.29282	0.3
411.32785	4.8
412.33176	0.4
425.30276	1.0
439.32455	0.3
441.33557	0.3
459.34732	6.8
460.35217	0.4
485.32819	1.1
503.33734	100.0
504.34109	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	503.3375
Annotation	Unknow
Peak:m/z	Relative Intensity
50.40304	0.3
55.01865	0.4
57.03447	3.9
59.01374	0.5
59.02498	0.3
59.44482	0.3
68.90270	0.3
71.01388	1.8
71.04985	0.4
71.21751	0.5
73.02952	1.6
77.39388	0.3
85.02930	0.5
87.00867	0.5
89.02430	0.9
92.38405	0.3
134.39847	0.3
140.64507	0.3
140.65543	0.4
154.12883	0.3
161.42226	0.3
263.98105	0.3
294.91370	0.3
325.25217	0.9
351.26990	0.7
367.29990	1.0
393.31735	1.1
395.29312	0.5
411.32611	6.5
412.32843	0.5
423.32706	0.9
441.33499	0.4
459.34772	6.4
460.35181	0.4
485.32602	1.0
503.33765	100.0
504.34152	8.6
504.39929	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.3375
Annotation	MADECASSIC ACID
Peak:m/z	Relative Intensity
70.31681	0.4
70.32030	1.5
83.05019	0.5
100.60237	0.4
173.13303	0.6
177.73497	0.4
186.77519	0.4
222.63306	0.4
225.38712	0.5
349.25247	0.5
352.47137	0.4
359.27264	0.4
362.27853	0.5
365.28537	1.6
375.30444	0.8
389.28482	2.4
391.29926	4.6
403.30014	1.5
405.27673	0.5
407.29480	2.2
421.31180	0.8
423.32703	1.3
433.27423	1.7
435.28818	2.5
439.32175	0.8
455.31711	0.6
457.33359	2.2
467.31815	0.9
473.32849	2.8
485.32797	0.7
503.33731	100.0
504.34100	9.4
504.40985	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.3376
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01360	0.3
66.50939	0.1
70.83997	0.2
71.05024	1.1
77.79065	0.1
83.05023	0.1
85.02948	0.2
94.88654	0.1
143.65724	0.1
163.87675	0.1
171.11760	0.2
191.05548	0.2
207.17484	0.4
365.28345	0.2
375.30576	0.2
377.28439	0.4
389.28491	0.5
391.30112	0.3
393.31796	0.5
403.30017	0.5
405.28122	0.2
407.29599	0.6
409.31604	0.2
419.29767	0.6
421.31055	0.2
425.30695	0.2
433.27475	1.3
435.29004	1.5
439.32196	0.2
441.34036	0.1
443.31570	0.8
465.29886	0.2
467.31854	0.8
471.31100	0.2
473.32632	0.4
485.32678	11.4
486.33130	1.0
503.33725	100.0
504.34070	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	503.3373
Annotation	Unknow
Peak:m/z	Relative Intensity
54.67908	0.1
57.03455	0.1
59.01096	0.2
59.01374	2.4
60.67630	0.1
60.99313	0.1
67.01879	0.1
67.56305	0.1
68.99771	0.1
69.03448	0.2
70.81601	0.1
70.81931	0.3
71.01380	0.5
71.05007	1.1
73.02956	0.3
75.00864	0.4
78.47967	0.1
83.05012	0.4
85.02947	1.3
87.00850	0.3
89.02441	0.2
93.03457	0.6
94.03802	0.1
95.01390	0.2
99.00893	0.3
101.02393	0.2
111.00851	0.2
111.04521	0.2
113.02412	0.4
116.92838	0.2
117.92912	0.2
118.92674	0.2
123.84574	0.1
137.02446	0.9
159.04477	0.2
171.10214	0.1
173.04509	0.5
177.01955	0.1
187.11240	0.1
191.05592	4.3
191.07306	0.2
192.05850	0.3
199.03981	0.2
201.17833	0.1
207.10196	0.3
225.11208	0.2
227.03484	0.3
228.04399	0.1
249.06081	0.4
253.18047	1.6
255.03021	0.1
260.75269	0.1
281.10214	0.2
283.13455	0.4
354.74982	0.1
389.28491	0.4
391.30032	0.6
393.31567	0.3
399.15027	0.2
403.29962	0.2
407.29453	0.3
409.30899	0.3
419.29590	0.4
425.30597	0.3
433.27478	0.5
435.28964	2.3
436.29443	0.2
437.30594	1.1
439.32114	0.2
443.31668	1.2
451.28723	0.2
459.34769	0.5
467.31506	0.2
471.31311	0.2
485.32684	11.3
486.33188	1.1
503.33719	100.0
504.34073	9.6
504.41837	0.2
526.53735	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	503.3378
Annotation	MADECASSIC ACID
Peak:m/z	Relative Intensity
57.03454	0.3
59.01377	25.1
61.98829	0.2
65.05994	0.2
66.73852	0.2
71.01384	2.4
71.26706	0.2
71.97336	0.2
73.02945	0.6
74.02467	0.5
74.18976	0.2
79.52048	0.2
83.05039	0.4
85.02949	1.8
87.00861	0.2
88.59043	0.2
89.02420	0.4
93.03453	0.4
95.01359	0.3
96.96008	0.2
99.00857	0.2
101.02436	1.4
111.00889	0.3
113.02457	1.0
114.13438	0.2
123.08143	0.4
151.24149	0.2
159.03067	0.3
161.04561	0.6
173.04619	0.5
173.13364	0.8
189.12769	0.2
191.05573	2.1
191.14386	0.3
191.16228	0.2
191.82333	0.2
225.11346	0.3
321.79556	0.2
323.23776	0.5
341.26944	0.4
349.25632	0.3
356.75040	0.2
361.25439	0.3
365.28473	1.1
373.25070	0.3
373.29160	0.4
375.26663	0.4
375.30585	0.7
377.28522	0.4
389.28366	2.1
390.28964	0.2
391.30136	5.5
392.30573	0.4
393.31458	0.6
403.30121	1.2
405.27817	0.5
407.29578	2.1
421.26651	0.3
421.31128	0.6
423.32547	0.8
425.30826	0.3
433.27597	1.3
434.27640	0.2
435.28915	2.8
436.29166	0.4
437.30518	0.7
439.32169	0.6
441.33679	0.8
455.31601	0.4
457.33258	2.6
458.33429	0.2
467.31631	1.0
473.32559	2.7
485.32736	1.7
486.32785	0.2
494.20181	0.2
503.33722	100.0
504.28589	0.6
504.34131	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	503.3372
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	1.4
61.98821	2.5
71.62920	1.1
78.95898	10.8
85.02948	10.6
103.46339	0.7
128.12587	0.8
141.76648	0.7
152.99574	1.5
168.04285	1.3
224.06874	3.7
228.50148	0.7
242.08191	1.0
279.23260	46.9
303.65100	0.8
306.42529	0.8
364.02853	0.8
381.27921	0.8
425.30545	1.0
441.33682	15.3
442.34204	1.1
459.34741	6.7
469.33481	1.0
485.32617	2.1
503.33765	100.0
504.31647	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	503.2496
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	2.4
55.02114	0.6
57.03443	7.2
57.57737	0.6
59.01376	66.0
60.01711	1.1
61.98825	3.4
67.01889	1.6
69.03440	2.5
69.28889	6.2
71.01377	53.0
72.99306	1.3
73.02943	13.5
75.00881	1.2
75.54208	0.6
83.01385	7.4
84.02150	1.5
85.02948	37.7
86.00088	1.1
87.00882	5.8
89.02448	11.4
92.79043	0.6
93.03442	6.0
95.01382	9.7
96.96003	3.3
97.02959	3.2
99.00874	6.9
101.02438	21.8
102.05576	0.9
109.02942	1.1
111.00877	1.4
111.04595	0.7
111.08124	0.8
112.01653	1.2
113.02444	44.6
119.03490	1.9
119.05014	6.1
120.05347	2.1
123.04454	1.0
124.01630	0.9
125.02443	3.2
127.11293	1.7
128.03546	1.0
129.01961	0.9
131.03520	1.4
133.02930	1.4
134.03731	1.0
135.04538	1.5
137.02415	1.6
137.09715	2.9
143.03470	3.8
149.04538	4.3
153.12840	1.2
155.10825	3.4
157.12323	2.2
159.02977	1.8
159.04448	0.9
161.02379	2.5
161.04521	8.5
163.04015	3.1
164.04364	1.3
165.01997	0.7
166.04971	0.8
173.04541	5.1
175.03951	1.4
179.03523	1.4
183.13760	0.8
185.48201	0.7
189.79088	0.7
191.05603	18.3
201.14917	3.7
229.14552	0.8
230.15138	2.0
279.12222	0.8
301.16455	0.9
339.25513	0.7
341.26865	4.1
357.26392	0.8
359.27988	10.8
373.22281	0.9
399.23837	8.3
407.40021	0.7
417.24945	27.4
418.25504	1.4
449.14429	1.3
459.20700	0.8
459.26169	14.6
460.26086	1.0
467.15598	1.8
473.31198	1.0
485.31433	1.0
503.13770	2.7
503.25546	5.0
503.32208	100.0
504.32516	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	503.2496
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	1.1
57.03445	2.9
58.00601	0.6
59.01378	71.0
60.01708	1.0
61.98802	1.0
64.38017	0.6
69.03436	1.0
71.01375	25.1
71.05009	1.1
72.01730	0.8
72.99288	1.5
73.02946	7.5
78.91883	2.9
83.01387	2.0
85.02945	14.1
87.00883	1.9
89.02442	12.7
90.70914	0.6
93.03440	2.1
93.07089	0.7
95.01382	2.8
96.96007	1.0
97.02945	1.5
98.19789	0.8
99.00887	5.8
101.01775	0.8
101.02441	14.1
109.02921	0.7
111.00920	1.3
111.08173	0.7
113.02441	14.6
119.03525	1.3
121.10248	0.8
125.02467	2.3
129.01947	0.8
131.03514	1.9
133.02930	0.9
135.04565	1.2
136.47470	0.6
137.09749	0.7
143.03508	2.0
149.04546	7.2
151.48355	0.7
159.02977	0.9
161.02428	0.9
161.04504	5.4
171.13934	0.9
173.04591	3.9
179.03436	1.3
191.05582	8.7
201.15033	1.2
255.19499	0.9
315.18240	2.2
317.57629	0.7
333.19107	0.8
341.26999	1.0
351.08679	0.8
359.27945	1.3
363.26862	0.7
381.09735	0.9
391.30045	0.8
399.23834	10.3
409.30914	1.7
417.24811	7.7
421.31219	1.4
443.31570	0.9
453.30038	5.9
459.26093	11.4
473.31653	0.9
485.32581	7.9
486.33676	0.7
503.13678	5.6
503.33496	100.0
504.33820	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	503.2497
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	1.3
57.03437	2.4
59.01377	100.0
59.79852	0.7
60.01715	1.1
61.01830	0.8
61.98830	1.3
69.03430	0.8
69.40994	6.7
71.01379	24.8
73.02937	10.2
83.01378	2.7
85.02945	16.0
87.00872	2.7
89.02443	5.9
93.03455	6.2
95.01382	3.2
96.95992	2.7
97.02916	1.0
99.00854	3.5
101.02442	16.6
111.04550	1.5
113.02449	12.0
119.03497	2.2
125.02412	1.2
133.02931	1.0
135.04462	2.3
143.03441	1.6
159.03017	1.6
161.02394	1.5
161.04553	11.4
173.04562	6.5
179.03438	2.0
191.05602	42.1
235.13477	0.9
255.06526	1.1
255.19623	2.0
279.12320	3.3
301.03598	1.1
329.07910	1.4
331.04282	1.0
381.22702	1.7
399.15317	1.2
399.23785	11.2
417.24905	22.5
418.25336	2.0
449.14294	1.8
457.20724	1.2
459.12454	1.7
459.25967	15.5
460.26459	1.6
465.36786	0.9
503.13071	1.6
503.24359	2.7
503.32513	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	503.2491
Annotation	Unknow
Peak:m/z	Relative Intensity
54.20064	0.3
55.01875	2.7
57.03445	2.8
58.00585	1.0
59.01376	26.1
61.98822	0.5
69.03458	1.2
69.38266	2.8
71.01376	42.1
72.14559	0.3
72.99306	1.9
73.02942	16.1
75.00859	1.3
78.95891	3.7
81.03448	0.7
83.01385	6.7
85.02948	18.2
86.03241	0.3
87.00867	3.0
89.02439	15.7
93.03437	1.9
95.01385	3.2
96.95999	0.9
96.96922	0.4
97.02939	2.4
98.19909	0.7
99.00873	8.3
99.04546	0.8
99.50933	0.4
101.02437	31.3
107.05025	0.4
109.02968	0.6
109.06578	0.9
111.00860	1.1
111.04468	0.7
111.39134	0.3
113.02442	15.7
114.02711	0.4
115.03999	1.4
116.92904	0.3
117.02047	0.3
119.03487	2.1
123.04501	0.4
124.01647	0.5
125.02432	4.5
127.11285	0.4
129.01923	1.1
131.03506	2.9
133.02934	1.7
134.03683	0.7
135.04521	8.3
137.02483	0.5
137.09717	0.9
143.03502	1.7
149.04544	2.9
149.05840	0.5
151.04042	0.4
152.99557	5.4
155.03448	0.6
159.02988	2.4
159.04201	0.4
161.02460	6.2
161.04535	12.7
162.04900	0.3
163.11226	0.5
165.12813	0.4
167.03485	0.4
171.00615	0.9
171.10252	10.8
173.04523	4.1
174.04822	0.5
177.09145	0.8
179.03487	4.9
179.05275	0.5
181.12294	0.6
191.05597	3.6
199.13388	0.8
205.08798	0.4
207.10204	1.9
208.99704	0.3
209.15439	4.7
221.04491	0.4
225.11278	2.0
227.03276	0.7
233.06633	2.7
233.15460	0.4
243.12335	1.0
245.04176	0.3
249.11203	0.7
293.05396	0.4
293.08752	1.2
323.07614	3.3
340.57104	0.3
341.08728	1.7
371.20700	40.0
372.21243	2.0
395.13583	0.4
399.14188	3.9
453.14905	0.8
459.13458	0.4
467.15366	1.0
503.19391	3.7
503.24945	100.0
504.25278	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	503.2494
Annotation	Platanionoside G
Peak:m/z	Relative Intensity
55.01872	2.8
57.03442	3.2
58.00589	0.8
59.01377	24.3
60.01710	0.3
61.98835	0.2
67.01888	0.7
69.03462	1.1
69.37640	1.6
71.01380	39.2
72.99302	1.3
73.02944	15.8
75.00861	1.0
81.03468	0.6
82.71218	0.2
83.01381	5.7
83.05012	0.4
85.02946	16.0
86.00078	0.4
87.00871	2.1
89.02442	14.9
93.03451	2.4
95.01389	3.1
97.02940	2.2
99.00874	8.3
99.04524	0.4
101.02438	32.3
102.02805	0.3
108.02148	0.2
109.02908	0.3
111.00883	1.3
111.04504	0.6
113.02442	14.1
115.04010	1.7
117.01955	0.2
119.03500	2.6
123.04527	1.1
123.08151	0.3
125.02452	3.1
127.03952	0.2
127.58145	0.2
129.01942	0.9
131.03500	2.8
133.02934	0.4
135.04523	2.1
137.02419	0.5
137.09709	0.5
141.01955	0.2
143.03456	1.7
149.04550	3.0
152.99597	0.4
155.03540	0.5
159.02977	2.5
161.02585	1.1
161.04544	12.3
162.04935	0.2
167.03470	1.9
171.10239	0.6
173.04533	11.6
174.04839	0.3
177.05402	0.3
179.03496	1.5
179.05617	0.3
183.99548	0.2
191.05598	2.2
205.03418	0.3
209.15462	4.7
215.05643	0.3
225.11156	0.3
233.06657	2.8
251.05528	0.3
281.06738	0.3
293.08737	1.6
323.07550	0.5
341.08722	5.1
342.08829	0.3
353.19412	0.3
371.20700	36.7
372.21039	2.3
399.14612	0.2
420.58459	0.2
503.24942	100.0
504.17780	0.5
504.25275	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	503.2135
Annotation	Unknow
Peak:m/z	Relative Intensity
52.13534	0.6
55.01858	0.8
57.03446	2.2
58.00579	0.7
59.01374	20.2
60.99312	0.8
61.98827	0.9
65.00324	1.2
67.01881	1.9
68.99812	1.2
69.03441	1.0
71.01379	15.6
71.62835	0.9
72.99311	3.9
73.02947	2.4
75.00872	11.5
83.01387	2.2
83.05023	1.6
85.02946	24.7
87.00870	7.8
89.02453	4.6
93.03455	7.3
94.03808	0.7
95.01382	3.8
95.05022	1.2
96.96014	2.4
97.06593	1.2
99.00864	6.8
101.02439	2.8
103.00375	1.7
107.01398	1.4
107.04993	0.7
109.06657	0.8
111.00874	1.3
111.04515	2.0
113.02446	21.3
115.00346	1.9
117.01937	1.0
123.04489	1.3
123.08162	0.9
125.02425	0.7
129.01909	3.0
133.02939	2.2
135.04506	3.1
137.02438	1.1
141.07069	0.8
147.02939	1.0
151.00359	2.7
151.03992	1.0
152.04788	0.9
157.01384	0.9
161.02431	4.0
161.04565	0.8
164.04478	0.7
171.04564	0.9
171.10181	0.8
173.04521	8.5
173.13312	1.4
175.02452	2.4
179.03450	0.9
191.02011	3.1
191.05595	12.3
191.14406	10.5
192.06030	0.8
192.14720	0.7
200.04774	0.7
207.05075	0.8
209.15440	17.4
210.15813	0.9
217.12299	2.8
235.13399	4.2
249.06128	11.9
253.14410	5.3
255.06621	21.2
267.07172	31.7
268.07474	1.0
283.13290	1.1
285.08401	0.7
327.18237	3.7
329.23468	0.8
353.14081	0.9
441.21353	0.8
449.14636	2.4
459.12964	3.4
459.33511	0.9
484.31497	1.5
485.12204	2.5
485.20355	2.0
485.31528	1.3
502.32611	8.3
502.71851	1.7
503.21335	100.0
503.33282	40.2
504.21338	8.4
504.33994	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.1406
Annotation	Unknow
Peak:m/z	Relative Intensity
51.21019	0.8
55.01864	3.2
59.01368	7.3
65.18606	0.9
69.03454	4.6
71.01376	10.1
71.61665	1.4
72.99294	3.0
73.02932	3.1
75.00868	52.6
83.01385	1.7
85.02958	5.8
87.00381	1.1
87.00871	11.5
89.02441	7.9
93.03445	4.4
95.01391	1.0
95.81496	0.8
96.96006	7.8
97.02948	7.2
99.00868	7.3
101.02429	1.5
106.43151	0.8
109.02920	1.5
113.02438	2.8
117.03437	5.1
121.02923	0.9
122.98425	0.9
129.01947	1.9
131.03384	1.5
132.02103	1.4
133.02914	0.9
134.03735	72.4
135.04568	7.1
137.02460	2.0
141.01923	7.9
141.35963	0.7
149.04550	1.0
149.06075	8.4
151.04068	0.9
160.01640	8.0
161.02460	5.2
173.04512	3.7
175.03996	9.9
177.09116	1.1
178.02681	2.7
179.03477	7.2
190.02550	1.0
191.03920	1.3
191.05608	15.7
191.07098	0.6
192.05920	1.0
193.05045	81.3
194.05362	3.4
197.04407	0.8
203.05630	1.2
205.04962	1.5
206.08075	0.9
235.06084	2.1
241.05074	0.9
247.06462	1.1
255.06589	0.9
255.22427	0.9
265.07126	4.3
275.34070	0.8
291.07242	7.7
293.10403	1.3
309.08243	9.5
311.07983	1.5
311.11395	2.2
325.09171	3.0
327.09302	35.5
328.09360	1.1
367.10181	1.7
453.10132	1.4
467.11707	8.0
468.11945	0.8
471.11172	4.4
485.13190	4.9
503.13986	100.0
504.14218	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	503.1207
Annotation	Unknow
Peak:m/z	Relative Intensity
51.84059	0.2
54.86246	0.2
57.03444	0.3
59.01377	4.1
60.01690	0.4
63.02382	1.8
63.27896	0.2
65.00322	11.1
67.01910	0.5
68.99792	0.2
70.93096	0.5
71.01379	1.4
73.02961	0.3
75.00874	0.6
83.01382	5.6
85.02959	1.1
87.00867	0.4
89.02472	0.2
93.03455	0.9
96.95985	0.4
99.00876	0.6
101.02459	0.4
107.01386	16.5
107.13531	0.2
108.02198	0.3
108.99335	0.2
109.02958	0.4
113.02451	0.8
121.02949	0.5
125.02452	0.6
133.02965	0.9
137.02504	0.5
141.07095	0.6
143.05016	0.5
145.06581	2.9
147.04514	0.2
149.02449	1.1
149.99554	1.2
151.00363	40.8
152.00687	1.1
161.02368	0.4
163.00302	0.3
164.01166	0.8
165.01891	0.6
169.06599	2.1
169.40608	0.2
171.04489	2.8
172.05226	0.5
173.04550	0.4
176.79715	0.2
177.01924	10.5
178.02280	0.3
183.08116	0.7
185.06020	1.0
187.07645	1.0
189.12793	0.3
191.05585	0.6
193.01321	0.3
211.07625	2.7
213.05548	7.7
213.07578	0.4
227.07076	1.4
237.05559	0.6
239.07138	0.4
240.04224	0.7
251.07039	0.7
253.05022	0.8
254.05859	1.8
255.06602	100.0
256.06952	5.3
267.06958	0.9
268.07574	0.5
269.07837	1.2
279.06546	1.1
293.20596	0.2
297.07620	2.5
321.07755	0.3
372.76215	0.3
417.11893	2.2
459.12927	90.9
460.13290	7.2
473.33142	0.4
502.19827	0.3
503.20123	4.1
503.32840	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	502.1718
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	2.1
61.98821	0.3
71.01385	4.2
71.38479	0.5
83.01404	0.6
85.02941	0.5
88.04036	26.1
89.02428	0.5
89.04346	0.3
93.03458	0.6
95.05067	0.3
96.08189	0.3
96.96011	1.1
97.02938	0.5
101.02453	0.6
109.02944	1.6
113.02487	0.4
114.01951	1.9
115.00363	10.0
119.79559	0.3
121.02899	0.3
122.03716	0.3
123.04503	1.2
124.01707	0.3
125.02438	1.2
132.03023	100.0
133.03377	1.0
134.03778	0.3
135.04506	0.5
137.02441	0.4
149.02400	0.7
151.04004	1.0
152.03499	0.5
161.02405	0.5
161.06065	0.4
162.03268	0.4
168.00592	0.3
168.10300	0.7
173.04622	0.3
175.04022	0.2
191.05609	0.9
193.54247	0.3
203.07236	0.7
205.05040	0.9
205.08688	0.4
212.09303	1.3
217.08711	0.8
245.08136	0.4
247.06123	0.9
276.06992	0.2
289.07236	0.6
292.39990	0.3
325.14563	0.4
369.13385	7.2
370.13812	1.0
371.20721	0.4
435.65506	0.3
502.16837	0.6
503.13766	1.3
503.24731	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	502.1225
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	84.6
60.01696	4.6
61.98848	1.1
70.17376	3.8
71.01376	2.8
73.02947	1.7
73.67274	0.9
79.95719	8.0
86.24686	1.0
87.86330	0.9
89.02450	2.3
92.17987	0.9
93.03452	2.6
95.95246	2.9
96.96007	52.8
98.95654	1.5
101.02454	1.3
109.02976	1.3
113.02415	1.6
119.04969	1.3
125.02490	1.2
128.03537	1.6
132.49382	0.9
133.02931	1.2
134.03722	1.7
135.04526	10.3
137.02409	1.9
149.02446	2.2
151.00368	1.3
161.02428	5.7
163.04018	2.2
164.04712	1.8
168.49899	0.9
173.04521	2.7
177.01900	1.0
179.03523	6.3
191.05573	6.1
231.06938	20.0
231.57095	3.6
239.06660	7.9
239.56827	2.1
243.02823	0.9
245.66411	1.0
258.01663	11.5
259.02435	6.3
271.02478	7.9
272.03036	3.5
273.04156	4.1
274.04269	0.9
285.04037	1.8
297.11823	1.7
301.03488	29.5
302.03781	2.1
313.03445	3.8
323.07886	1.2
331.04538	19.4
332.04910	1.6
365.17856	100.0
366.18146	17.7
367.17697	2.1
383.18948	31.1
384.19131	5.3
463.14627	4.3
501.32275	2.2
502.17197	1.9
502.32678	1.6
503.09882	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.3218
Annotation	CHEBI:69363
Peak:m/z	Relative Intensity
56.63763	0.3
59.01357	0.4
60.99279	0.7
70.41273	0.3
70.89561	0.9
78.41364	0.4
107.04963	0.3
140.42360	0.4
142.00609	0.4
154.57240	0.3
164.26976	0.4
195.41516	0.4
421.31244	4.1
422.31973	0.4
423.28900	0.6
437.30496	9.0
438.31024	0.6
439.26471	0.7
439.32159	10.2
440.32498	1.2
453.30032	43.4
454.30460	3.5
457.33206	0.3
471.30432	0.4
483.31088	1.3
501.32175	100.0
502.25092	0.5
502.32501	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	501.3221
Annotation	Ganolucidic acid B
Peak:m/z	Relative Intensity
55.01863	0.7
57.81786	0.5
59.01379	2.9
61.98813	0.8
63.04011	0.6
65.09435	0.6
71.05012	0.7
72.71241	0.7
85.02948	15.2
123.08114	1.1
124.16309	0.6
136.31126	0.6
211.76071	0.6
279.23254	3.3
353.44229	0.7
403.84479	0.6
407.26010	0.7
423.29184	3.7
423.34076	0.7
439.32135	24.8
440.32590	2.1
453.30142	1.2
457.33160	6.9
473.82825	0.6
483.30981	4.6
501.32184	100.0
502.32547	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	501.3219
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	6.3
69.74892	1.6
71.01378	0.4
71.05022	1.4
73.02934	0.3
77.81033	0.3
83.05017	0.7
96.96007	0.5
97.06587	0.3
101.02375	0.4
113.02364	0.4
121.06645	0.3
160.84238	0.4
163.11290	0.7
187.11160	0.3
189.12816	0.7
191.05646	0.4
191.10623	0.3
191.14505	0.4
196.49886	0.3
215.70634	0.3
219.21332	0.3
231.30908	0.3
237.14935	0.6
299.23831	0.4
311.23914	0.3
347.24002	0.4
349.25293	2.0
363.27014	0.6
365.28461	9.6
366.28751	0.9
367.26593	0.5
383.29474	0.6
391.30164	0.7
403.30478	0.5
405.27966	1.5
409.27502	1.2
421.31058	2.6
435.29257	0.3
437.30692	0.8
439.32053	2.6
441.30203	0.8
455.31668	1.1
465.30249	0.5
471.31104	1.2
483.24149	0.7
483.31152	11.0
484.31409	0.9
501.32211	100.0
502.32562	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	501.322
Annotation	Unknow
Peak:m/z	Relative Intensity
61.14721	0.4
71.07166	0.8
71.07523	0.3
83.36285	0.4
89.87878	0.3
101.67328	0.3
202.69284	0.4
323.19223	0.4
361.25229	0.4
365.28348	0.9
375.26886	1.0
391.30032	34.4
392.30344	2.9
407.29333	1.7
409.30948	1.3
415.48013	0.4
435.28979	15.0
436.29443	1.3
437.30505	0.7
441.30093	0.6
453.30032	3.8
455.31573	1.5
465.30545	0.6
471.30969	2.6
483.31165	3.9
486.95633	0.4
501.32181	100.0
502.32520	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	501.3219
Annotation	Unknow
Peak:m/z	Relative Intensity
51.06928	0.2
55.01875	0.3
57.20987	0.2
59.01377	18.0
59.99622	0.2
67.33807	0.2
71.01371	0.8
71.05029	0.4
73.02932	1.0
83.05022	5.0
85.02951	0.2
88.00427	0.2
89.02425	0.3
101.02415	1.4
113.02445	0.5
149.04527	0.3
189.12704	0.3
191.05519	0.3
323.23813	2.2
325.25256	0.9
348.16699	0.5
378.01511	0.2
387.26675	0.3
389.28461	1.7
391.30783	0.3
405.28000	0.9
417.28293	0.3
423.29099	1.1
429.29959	1.5
433.27328	3.5
434.28152	0.4
435.29321	1.5
441.29913	0.4
453.29559	0.3
457.33249	1.1
458.33438	0.4
471.31226	1.2
479.28482	0.3
483.31104	16.6
484.31482	1.6
489.32101	0.3
501.32193	100.0
502.32559	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	501.3217
Annotation	Unknow
Peak:m/z	Relative Intensity
55.49053	0.4
57.03414	0.5
58.20815	0.4
59.01370	0.6
70.51352	0.8
70.51720	0.8
79.99728	0.4
83.05031	1.1
85.02924	0.9
95.21198	0.4
101.69399	0.3
123.08151	1.6
125.06020	0.5
151.07657	1.9
205.12328	1.7
207.13914	0.6
217.22411	0.4
304.44513	0.4
359.23752	0.7
373.25342	0.4
389.28729	0.4
391.26212	1.3
391.30157	1.2
393.28143	2.0
405.27905	0.4
407.29568	3.9
409.31082	14.6
410.31540	1.7
423.28882	0.7
425.30487	3.7
435.28989	0.4
441.30148	2.3
453.30045	2.1
454.30414	0.4
455.31696	0.5
457.33243	0.5
471.31085	12.5
472.31409	0.9
483.30899	0.6
489.32068	0.5
501.32184	100.0
502.32510	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	501.3218
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	1.3
69.51325	0.2
71.05010	0.2
82.41988	0.2
83.04553	0.4
83.05019	4.9
85.02905	0.3
89.05243	0.2
92.41709	0.2
97.06592	0.5
98.20636	0.5
104.16621	0.2
111.00869	0.7
123.08062	0.2
155.08597	0.2
162.79233	0.2
169.10240	0.4
189.12866	0.4
251.17725	0.2
321.22223	0.4
363.26974	0.8
373.29156	0.3
387.26865	1.2
389.28546	0.5
401.28510	1.0
405.28006	1.3
419.25827	0.8
429.30017	0.6
431.25775	0.7
433.27505	3.2
439.32568	0.3
457.33160	1.0
465.30188	2.6
471.30969	0.7
483.31140	13.2
484.31628	1.2
501.32196	100.0
502.32510	10.2
509.29126	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.3217
Annotation	Saponaceolide B
Peak:m/z	Relative Intensity
55.34083	0.5
57.03438	2.4
59.01374	0.8
69.03453	2.4
69.93333	1.9
71.05019	0.5
81.03461	2.5
83.05025	1.9
85.57209	0.5
93.37460	0.6
94.74490	0.4
95.05009	0.4
98.20538	0.7
107.05030	1.0
109.06586	2.8
151.67744	0.5
160.84158	0.6
161.36191	0.5
175.67404	0.5
276.64499	0.4
337.25293	1.6
381.28134	0.8
393.27966	0.7
405.27908	1.6
409.31085	13.1
410.31033	0.9
421.31085	11.5
422.31219	0.6
427.32141	1.6
439.32065	2.1
457.33127	5.0
483.30896	0.8
501.32184	100.0
502.32489	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	501.3218
Annotation	16alpha-hydroxygypsogenic acidid
Peak:m/z	Relative Intensity
58.31555	0.5
59.01374	0.9
61.98829	2.7
69.32933	5.2
84.17135	0.5
102.22786	0.6
137.28813	0.6
144.74730	0.5
193.74461	0.6
216.16469	0.6
251.73509	0.6
258.15829	0.5
275.11401	0.6
353.28354	0.6
368.31100	0.5
379.29987	0.6
383.37335	0.7
423.29138	0.7
439.32132	37.7
440.32404	2.8
457.33228	7.5
501.32175	100.0
502.32492	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	501.2705
Annotation	Unknow
Peak:m/z	Relative Intensity
56.16647	0.3
57.03464	0.4
59.01376	100.0
60.01706	0.3
61.98822	1.2
70.62833	0.8
71.01386	1.6
73.02960	0.9
75.00965	0.3
85.02954	1.8
87.00864	0.4
93.03476	0.7
95.09625	0.4
96.96023	1.3
98.01669	0.3
99.57484	0.3
101.02433	1.5
111.00925	0.4
113.02460	1.0
115.92102	0.7
121.02946	0.7
124.33608	0.3
125.02436	0.3
128.99234	0.5
142.94452	0.6
149.02603	0.3
161.02344	0.4
161.04623	0.6
173.04521	0.4
175.79089	0.4
179.03360	0.3
191.02084	0.4
191.05591	3.4
327.21924	0.9
367.67328	0.4
376.33209	0.4
381.22937	0.7
399.23999	1.4
441.24902	3.2
457.33310	0.6
483.31445	0.5
501.00867	0.5
501.32477	4.2
502.00980	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.2704
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03429	1.2
59.01377	27.4
61.98806	1.3
69.25015	0.3
71.01371	2.9
71.05000	0.4
71.29847	0.3
71.62256	0.4
73.02930	1.0
82.66991	0.4
83.01369	0.4
83.05025	0.6
85.02448	0.8
85.02949	13.0
85.06544	0.5
87.00855	1.4
92.30223	0.4
93.03445	3.9
96.95990	1.2
101.02403	1.2
106.04234	0.4
109.02912	1.5
111.04475	1.7
113.02421	0.9
113.09702	0.8
125.09669	1.0
127.03988	1.8
127.11235	0.6
129.01920	0.7
135.04475	0.5
135.12918	0.5
137.02406	1.4
147.02927	0.5
155.62956	0.3
161.04514	0.4
165.01904	1.2
171.02986	0.5
171.10243	1.5
173.04504	1.5
177.12819	0.8
181.14127	0.5
191.05597	100.0
192.05939	1.9
195.13814	0.8
200.39273	0.4
201.11319	3.3
203.10861	0.4
213.11345	2.0
214.26945	0.5
215.09207	0.6
227.12930	1.3
232.97119	0.4
237.14952	0.7
247.13347	0.8
247.20551	0.4
291.19687	1.1
309.20679	1.7
327.21725	10.8
328.21939	0.6
366.52777	0.4
399.23444	0.5
410.07907	0.4
437.30441	0.5
439.32315	3.2
457.24649	0.5
483.31720	0.5
501.21716	0.8
501.32211	14.2
502.32672	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.2704
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	0.3
58.00585	0.2
59.01375	100.0
59.40091	0.2
60.01713	0.6
61.98822	0.9
69.27702	2.1
71.01382	2.1
72.99304	0.4
73.02946	0.9
83.01393	0.3
85.02962	0.7
87.00877	0.3
89.02447	0.6
93.03489	0.8
96.96000	2.5
97.06570	0.2
99.00887	0.4
101.02444	1.5
109.02975	0.3
113.02442	1.1
114.44421	0.2
117.03532	0.2
119.05019	12.0
120.05376	0.2
121.02951	0.4
125.02422	0.4
132.02148	0.5
133.02951	1.2
134.03757	0.8
135.04491	1.3
136.04903	0.3
136.05927	0.2
137.02467	0.5
143.03505	0.3
145.03011	0.2
149.06017	0.2
151.03970	0.3
160.01636	2.2
161.02452	3.7
161.04555	0.5
163.03992	6.1
171.10211	0.2
173.04517	1.2
174.04964	0.2
175.03958	2.6
177.05588	1.0
179.03481	1.1
191.05563	1.5
192.06026	0.2
193.05077	0.4
211.13440	0.3
221.04384	0.2
227.07314	0.2
309.80539	0.2
323.07700	3.0
327.04343	0.2
327.21716	1.2
337.09308	3.3
344.37015	0.2
355.09537	0.4
364.95605	0.2
399.23843	0.3
417.41440	0.2
441.24796	0.3
443.24521	0.2
479.34378	0.2
501.13791	2.8
501.20947	0.3
501.27335	0.7
501.32382	0.2
502.14020	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.2702
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	0.4
59.01376	100.0
60.01712	0.4
67.15668	0.3
69.27660	0.4
69.55106	2.3
71.01378	6.6
73.02944	7.2
83.01396	2.8
85.02956	1.4
87.00883	0.5
89.02446	3.3
96.95981	0.4
98.20606	0.7
101.02435	9.9
113.02436	4.0
119.03467	1.6
125.02438	1.0
131.03502	1.0
143.03511	1.3
149.04564	1.5
155.03380	0.4
160.84232	0.4
161.04558	3.9
179.05644	1.5
191.05634	0.7
203.05589	0.4
221.06586	0.8
250.51129	0.3
339.19037	0.4
381.22992	0.4
398.45111	0.4
399.23871	1.0
455.31644	1.3
501.32172	15.0
502.32431	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.2718
Annotation	Unknow
Peak:m/z	Relative Intensity
56.98600	0.3
57.03441	0.7
59.01375	100.0
60.01715	0.5
61.98842	0.5
68.99564	0.4
69.32125	0.7
69.32536	2.2
71.01382	4.5
72.99300	0.7
73.02949	0.8
75.00877	1.0
77.45348	0.3
85.02955	3.9
87.00869	1.2
89.02451	1.5
93.03461	2.5
95.01398	0.5
96.27623	0.3
96.96014	2.2
99.00883	1.1
101.02458	1.1
109.02973	0.5
111.01012	0.3
111.04456	0.5
113.02444	4.2
121.02962	0.3
123.04529	0.5
125.02467	1.0
132.70235	0.4
137.02444	0.5
143.03545	0.4
149.02431	0.7
155.03529	0.4
161.02423	0.5
161.04622	0.6
163.03925	0.3
171.57878	0.3
173.04524	8.0
179.42326	0.3
187.07672	0.4
189.12894	0.4
191.05609	1.3
249.06262	0.7
251.06694	0.4
267.07132	5.5
268.07462	0.4
269.07614	0.4
327.21906	1.3
340.10364	0.4
457.19843	0.7
501.20169	7.2
501.27896	1.3
501.30856	1.4
502.20511	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.27
Annotation	Unknow
Peak:m/z	Relative Intensity
50.55797	0.4
59.01377	100.0
60.01704	0.7
61.98831	0.4
70.36754	1.4
71.01389	1.5
73.02935	0.6
79.95718	2.4
85.02946	0.9
86.44533	0.3
89.02453	0.6
91.15755	0.4
93.03453	1.8
95.95222	0.9
96.96008	17.4
101.02421	0.7
108.52264	0.4
113.02428	0.5
119.05034	1.0
133.02907	0.6
135.04506	3.1
137.02451	1.9
138.02821	0.8
145.24445	0.5
161.02419	2.1
163.04018	1.1
164.04524	0.7
173.04559	0.9
179.03506	1.8
191.05557	1.9
192.05995	0.9
193.06146	0.6
231.06979	4.6
231.57208	0.7
232.07063	0.4
239.06693	7.9
239.56958	1.5
240.06517	0.4
258.01740	2.4
259.02475	0.9
271.02560	1.6
272.03265	0.8
273.04181	1.1
285.04120	0.6
301.03537	7.2
301.06720	0.6
313.03473	0.7
331.04593	3.9
339.09921	0.8
365.17853	24.3
366.18069	2.1
383.18921	7.9
396.16129	0.5
399.24066	0.7
463.09125	0.5
463.14804	0.9
501.10651	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	501.2702
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03461	0.3
58.00604	0.2
59.01377	100.0
59.77074	0.2
60.01712	0.7
61.98840	0.8
69.03468	0.3
69.76412	1.0
71.01384	2.7
72.99306	0.5
73.02959	0.9
74.26472	0.3
75.00880	0.7
82.62997	0.2
82.95416	0.4
83.01362	0.4
85.02944	2.6
87.00886	0.7
89.02459	0.9
93.03456	0.5
94.82642	0.2
95.01386	0.4
96.95998	1.9
98.19881	0.5
99.00878	0.7
101.02422	1.3
102.05640	0.2
113.02455	2.3
115.00357	0.2
125.02448	0.4
126.02801	0.3
135.04495	0.4
137.02461	0.3
151.04057	0.2
161.04593	0.5
162.39291	0.2
173.04594	1.0
179.03474	0.4
189.12903	0.3
191.02054	0.6
191.05638	1.6
207.14006	0.7
249.06233	0.9
267.07120	1.3
269.08011	0.3
289.07169	0.3
325.16583	0.3
339.11176	0.3
372.23746	0.2
399.23373	0.3
441.25293	0.5
457.20554	2.2
501.19955	5.1
501.27441	1.2
501.33475	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.1977
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	1.2
57.03425	2.4
59.01375	43.3
67.01897	0.7
68.99799	0.9
69.41732	4.9
71.01381	17.9
72.99282	3.7
73.02933	1.3
75.00871	12.1
76.14215	0.6
80.02668	2.8
83.01374	0.9
85.02948	18.3
85.32182	0.6
87.00877	7.3
89.02442	4.4
91.04043	0.7
91.21035	0.6
93.03441	0.7
95.01380	4.6
96.32197	0.6
96.96001	1.2
99.00867	8.2
99.04549	3.7
101.02422	1.2
103.00372	1.8
113.02448	22.3
115.00323	1.1
117.01920	1.3
121.06593	1.4
125.02356	0.7
129.01959	1.3
157.01414	1.0
175.02444	2.0
189.12839	8.4
202.49449	0.8
207.04945	0.9
207.13838	6.6
231.05089	0.7
233.11794	2.7
240.26329	0.6
243.07137	0.7
249.06123	12.2
251.12791	4.7
267.07184	40.2
268.07635	1.5
316.13116	0.9
325.16611	4.0
346.37384	0.7
439.19791	3.4
483.18640	2.5
501.19724	100.0
502.20108	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	501.1976
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	0.5
55.43655	0.5
57.03441	2.7
58.00581	0.5
59.01376	21.1
60.23136	0.4
60.44827	0.4
67.01869	0.5
68.99801	1.0
69.03452	0.9
70.75760	1.2
70.76115	0.6
70.79652	0.4
71.01373	19.0
72.99303	3.9
73.02942	1.8
75.00865	11.7
80.02703	1.0
81.03484	0.6
81.47779	0.4
83.01382	1.0
83.05022	0.7
84.02160	0.5
85.02943	20.0
87.00859	6.0
89.02430	4.1
93.03436	1.3
95.01384	3.9
95.04980	0.9
96.96011	1.3
99.00880	8.8
99.04494	1.3
101.02409	1.3
103.00359	1.3
107.05050	0.6
107.70079	0.4
109.02916	0.7
111.00849	1.3
111.04516	0.5
113.02442	22.5
113.03249	1.1
115.00360	1.3
117.01909	1.8
120.05779	0.9
121.06580	1.6
125.02403	1.0
129.01901	1.4
157.01411	1.4
161.04610	0.6
173.04524	0.5
175.02464	2.8
189.04150	0.5
189.12816	6.0
205.07042	0.5
207.05034	1.1
207.13875	5.8
231.05083	1.5
233.11768	0.7
249.06133	13.0
251.12872	6.1
253.05052	4.7
264.13092	0.4
267.07178	35.0
268.07520	1.0
269.07706	0.5
325.16531	3.9
457.11298	2.4
457.20285	1.1
483.18652	1.9
501.19720	100.0
502.13330	0.8
502.20038	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	501.1892
Annotation	Unknow
Peak:m/z	Relative Intensity
52.68502	0.6
54.90864	0.5
58.02969	0.9
59.01384	4.1
61.98820	0.6
66.68014	0.6
69.03434	0.6
69.57230	1.1
69.57635	3.2
70.02962	0.8
71.01382	1.7
82.95420	1.7
83.01379	3.3
85.02953	1.4
88.04045	1.3
89.68106	0.6
91.01883	0.7
93.03448	2.7
95.02533	0.6
95.05032	1.1
96.95996	3.2
97.02953	5.5
98.19878	1.2
108.02153	1.5
109.02956	14.2
113.03575	5.3
114.01965	3.8
119.05042	3.0
120.05359	1.2
121.02947	2.9
121.06596	1.4
122.02370	0.6
122.03712	1.8
123.04527	14.0
124.01630	0.7
125.02434	3.0
131.04613	11.3
132.02986	3.6
133.02982	0.8
135.04501	3.4
137.02428	2.5
139.03996	2.5
145.02948	1.4
146.03772	1.7
149.02426	5.3
150.03156	0.9
151.03996	7.8
159.04523	2.6
160.05278	1.0
161.02435	4.4
161.06068	4.4
161.09784	1.6
162.03188	2.1
163.04001	5.4
163.07649	1.9
164.04350	2.7
165.04590	0.7
167.03487	1.4
167.11850	1.0
173.04517	2.3
173.05984	0.7
175.03925	1.2
175.07628	0.9
175.11255	1.5
177.01852	0.9
177.05502	1.2
179.03497	1.6
187.04018	2.8
188.04779	2.2
189.01799	0.7
189.05536	1.1
189.09160	0.8
190.02576	0.7
191.05598	5.7
192.05850	1.3
192.49156	0.6
193.06126	1.6
201.05489	0.7
202.06407	0.7
203.03459	1.3
203.07120	6.6
205.05061	9.7
205.08649	5.2
207.10316	3.0
211.10886	1.5
213.05486	1.2
215.10785	0.8
217.08675	9.5
219.10173	2.2
231.02989	1.3
244.07458	0.8
245.08107	3.7
246.09000	1.7
247.06169	5.4
247.09679	1.5
259.09729	2.2
265.07199	0.8
283.13370	2.1
289.07104	3.0
301.14432	1.7
325.14337	6.5
326.14801	0.9
337.09296	0.9
338.09506	1.4
339.09845	1.4
355.09015	0.8
369.13382	100.0
370.13791	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	501.1248
Annotation	Unknow
Peak:m/z	Relative Intensity
55.57632	0.5
59.01374	1.5
69.61390	3.8
71.01374	5.0
85.02937	5.5
85.44224	0.5
87.00890	1.6
93.03439	3.5
96.96012	2.6
109.02966	0.9
111.04546	0.7
115.00373	13.5
127.04012	1.9
133.02950	0.8
135.04526	5.8
137.02457	0.5
146.00978	0.5
147.02985	13.1
161.02422	1.9
173.04532	9.4
179.03511	5.9
179.25516	0.6
191.05595	100.0
192.05885	2.7
216.98012	0.7
353.08746	20.6
354.09143	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	501.1405
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	0.6
59.01376	100.0
60.01721	0.4
61.98826	1.9
62.33493	0.2
67.01886	0.3
69.68102	1.2
71.01379	3.7
73.02954	1.1
75.00861	0.3
79.95709	0.3
82.95418	0.8
83.01408	0.4
85.02958	1.9
87.00862	0.6
89.02438	1.2
93.03447	2.4
94.03016	0.3
95.01408	0.5
95.05069	0.3
96.96000	4.6
97.06582	0.4
98.95575	0.3
99.00903	0.7
101.02447	1.4
111.04502	0.6
113.02473	1.4
117.03478	0.7
119.05021	34.1
120.05391	0.7
121.02961	1.2
123.04491	0.5
125.02454	0.7
128.03552	0.4
132.02161	2.0
133.02943	3.3
134.03729	1.6
135.04512	2.9
136.04866	0.3
137.02457	0.8
145.02946	0.4
146.04645	0.3
149.06145	0.3
151.03996	0.4
155.03496	0.3
160.00577	0.2
160.01645	7.5
161.02440	9.2
161.04568	1.0
163.04008	17.0
164.04422	0.7
166.05043	0.4
171.10313	0.4
173.04582	2.3
175.03978	8.7
177.05544	3.2
178.02672	0.3
179.03470	2.8
180.03772	0.3
191.05595	2.7
191.07141	0.4
192.05870	0.4
193.04922	1.5
211.13446	0.8
221.04543	0.7
229.14519	0.6
231.06998	0.3
239.06847	0.3
239.56927	0.3
267.07047	0.4
268.33197	0.3
323.07675	8.1
324.08102	0.5
327.21619	3.3
337.09241	8.7
340.10382	0.3
354.09311	0.4
355.09293	1.0
399.23776	0.3
501.13959	8.3
501.26813	1.3
501.32104	0.8
502.14212	0.6
502.30203	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.1036
Annotation	Malonyldaidzin
Peak:m/z	Relative Intensity
55.01904	0.6
56.69065	0.4
57.03466	1.7
57.11891	0.4
58.00613	0.6
59.01374	48.7
60.01731	0.7
61.98834	1.0
63.02377	2.5
65.00311	2.5
67.01911	0.6
68.99836	0.6
69.03483	0.6
70.89816	0.5
70.90174	0.9
71.01375	12.4
72.99301	2.6
73.02939	3.2
75.00861	4.2
83.01366	2.0
83.05021	0.6
85.02945	10.2
87.00878	3.7
89.02431	4.6
93.03490	1.2
95.01374	2.2
96.96011	4.5
97.03004	0.7
99.00869	3.5
99.04505	0.8
101.02448	3.8
103.00428	0.7
107.01396	3.6
107.05093	0.4
109.02980	0.5
111.00857	0.5
113.02445	11.7
115.00394	0.5
117.01952	0.7
119.03532	1.0
121.02976	1.0
121.06602	0.7
123.04532	0.6
125.02444	3.4
126.02792	0.6
128.03525	0.5
129.01971	1.1
131.03519	0.4
135.04529	0.9
137.02435	1.2
143.03563	0.7
143.05032	3.7
145.02956	2.2
149.04535	0.4
151.00327	2.2
152.08257	0.5
161.02443	0.6
161.04527	1.5
165.07095	0.8
167.05029	1.5
173.04527	2.1
175.02515	0.6
179.03522	0.5
180.05785	1.5
181.06635	1.7
185.06081	1.5
189.01903	1.1
189.12833	1.6
190.02614	0.8
191.05551	2.4
193.06601	0.5
207.13860	1.9
208.05316	0.6
209.06059	9.7
210.06502	0.5
211.03987	0.9
217.01262	0.8
224.04764	1.3
225.05588	1.0
233.06721	1.0
249.06078	3.7
251.12886	1.6
252.04160	0.7
253.05032	100.0
254.05415	4.1
265.05051	0.6
267.07159	8.3
268.07516	1.3
269.07648	0.7
295.05991	0.8
314.32843	0.4
325.16632	0.9
355.08261	3.2
357.26477	0.6
389.21677	0.6
397.61484	0.4
415.09991	1.0
416.10892	0.5
457.11359	61.5
458.11761	3.9
465.11771	0.5
482.19055	0.5
483.18756	0.7
483.30096	0.8
500.20328	0.7
500.27786	0.6
501.19489	25.0
501.30627	9.1
502.20032	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	501.0261
Annotation	Unknow
Peak:m/z	Relative Intensity
50.87555	0.6
52.62350	0.4
56.45579	0.5
56.96789	0.6
59.01374	81.1
69.09898	0.5
69.35851	4.6
72.99287	1.1
73.73984	0.5
90.97127	1.1
98.19873	1.0
118.96665	0.6
119.03972	0.5
126.37112	0.5
132.98219	1.3
134.97034	1.7
144.25732	0.5
157.03566	3.6
158.89977	0.6
159.01537	1.3
174.97690	1.1
174.99232	21.9
176.98122	0.6
179.46904	0.6
192.96063	0.9
201.02527	34.2
202.02754	1.3
217.00279	100.0
218.00655	1.6
218.98343	0.7
250.95148	1.5
276.98141	1.9
292.96210	2.5
334.97339	1.4
343.03687	2.9
359.01450	69.1
360.01636	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	500.1984
Annotation	Unknow
Peak:m/z	Relative Intensity
56.28558	0.2
59.01062	0.2
59.01146	0.1
59.01375	5.9
61.98828	100.0
71.01379	0.7
71.62639	0.3
78.43529	0.2
79.95811	0.2
80.62161	0.2
85.02956	0.8
87.00884	0.2
89.02440	0.3
93.03465	1.0
96.96021	0.8
101.02431	0.3
101.06107	0.3
102.05614	0.9
109.02963	0.2
113.02463	0.3
113.36290	0.2
125.02431	0.6
128.03545	2.2
135.04523	0.8
137.02420	2.1
146.04625	0.7
147.04602	0.3
161.02437	0.5
164.07150	0.3
173.04590	0.4
179.03505	0.5
191.02888	0.2
191.05617	1.3
239.06641	0.3
267.06894	0.5
281.08276	0.2
338.12381	2.1
341.10336	0.5
371.11337	0.4
470.14612	0.2
482.14227	0.9
500.15317	2.2
500.28644	0.5
501.32376	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	500.156
Annotation	Unknow
Peak:m/z	Relative Intensity
58.55173	1.5
59.01367	5.9
61.98835	2.5
67.01881	2.2
70.76591	3.3
71.01378	3.5
85.02957	5.1
87.00845	1.7
93.03444	13.2
94.03792	3.1
95.23902	1.5
96.96020	5.3
101.02415	1.8
102.05602	12.8
104.11003	1.3
109.02954	2.8
111.04524	3.6
118.02316	1.5
119.05014	23.1
120.05350	9.1
121.02961	4.5
126.72073	1.3
127.04079	1.6
128.03537	68.4
129.01880	2.4
129.03949	2.0
132.03047	1.8
133.02943	1.9
135.04527	9.0
136.04797	2.2
137.02460	3.4
145.02980	4.9
146.03456	2.5
146.04591	31.2
147.04489	7.0
148.05296	9.1
150.03171	2.2
151.03979	11.3
155.03494	5.1
156.03741	1.8
161.02443	5.8
162.02853	3.5
162.06747	1.9
163.03998	45.1
164.04326	22.1
172.02536	18.8
173.02425	1.7
173.04524	40.0
174.03241	6.1
174.04897	13.6
176.04829	5.8
179.03532	4.3
180.04036	2.7
191.05614	37.7
191.07185	17.9
192.05910	10.6
194.05846	2.7
202.02740	2.6
211.07712	1.8
215.03473	1.9
217.05086	1.7
221.06042	2.1
223.07632	4.1
229.04959	1.4
232.91087	1.4
237.05641	4.9
239.07181	9.2
248.04759	1.7
249.05675	2.9
250.06473	1.9
251.07088	15.3
252.07634	1.5
261.05505	2.3
262.06281	2.6
263.07141	4.8
265.04947	2.4
267.06610	54.9
267.09470	3.2
268.07065	3.6
277.05103	1.4
277.08975	2.4
278.06177	1.8
279.06628	38.2
279.09579	1.7
280.07190	5.0
282.08954	36.3
283.09634	5.2
293.08176	4.7
294.05637	3.2
294.08939	25.0
295.06149	2.1
295.09442	2.4
297.11282	27.1
298.11777	2.6
304.07379	2.0
305.04532	2.0
306.05164	3.8
307.06113	1.8
308.06937	4.2
308.10226	1.8
309.07578	3.7
309.11377	6.6
310.07645	1.9
320.06705	3.1
321.07559	4.3
322.07831	1.6
323.05710	2.8
323.09271	14.2
326.07928	1.9
327.12283	11.0
335.09421	6.7
336.08667	3.2
337.09317	15.7
338.09656	28.3
339.09225	1.8
341.10278	13.2
352.12048	2.2
353.10281	74.4
354.10318	4.1
364.11798	2.7
371.11334	3.8
381.06116	2.7
406.13089	2.4
423.13211	9.2
425.11142	1.9
426.15494	4.4
429.34409	1.8
438.15619	12.4
439.16473	2.0
446.82510	1.6
452.13568	3.1
464.13553	5.2
470.14465	25.9
471.14938	2.7
482.14380	32.0
483.14703	1.7
500.15634	100.0
501.16248	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	500.1563
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	4.1
61.75537	1.1
61.98827	1.2
67.01847	1.2
69.88539	5.8
71.01366	3.9
73.02943	1.9
82.02992	1.4
85.02943	6.6
87.00858	1.7
88.45375	1.1
90.58942	1.1
93.03464	12.0
94.03793	1.4
96.96015	8.4
100.04007	1.8
101.02425	1.4
102.05608	11.6
108.02197	1.5
111.04514	2.4
112.04860	1.2
118.26765	1.0
119.05015	17.6
120.05331	7.6
121.02937	5.0
123.04526	2.1
128.03535	62.9
133.02913	2.6
135.04544	8.7
136.04820	2.9
137.02432	4.6
138.02759	1.2
145.02966	3.9
146.03476	1.4
146.04588	29.9
147.04520	8.1
148.05321	7.1
150.03252	1.5
151.04001	19.0
155.03465	3.4
156.03818	1.4
161.02505	6.4
162.02928	4.1
162.06815	1.9
163.04002	31.4
164.04350	18.3
172.02504	16.7
173.04544	30.3
174.03232	5.0
174.04893	9.7
176.04778	4.8
179.03505	5.4
180.04089	3.5
191.05611	35.9
191.07185	18.1
192.05975	11.1
193.06276	1.4
194.05798	1.8
202.02769	2.5
207.08223	1.7
214.02554	1.3
215.03415	2.5
221.06000	2.1
222.06786	1.5
223.07643	3.7
229.05188	2.6
234.06732	1.9
237.05592	3.7
239.07080	7.8
249.05550	2.5
250.06355	2.3
251.07106	12.6
261.05673	1.4
262.06256	1.6
263.07175	3.8
264.07739	2.8
265.04953	1.8
267.06577	50.1
268.07129	4.3
277.05035	2.5
277.08752	1.7
278.05695	1.5
279.06589	35.3
280.07242	5.2
281.08145	2.7
282.08957	38.5
283.09698	4.6
289.05032	1.4
290.05371	1.5
293.04544	3.0
293.08096	3.4
294.05618	2.4
294.08963	29.7
295.06329	2.3
295.09311	2.1
297.11276	27.7
304.07330	1.8
305.04477	2.8
306.05304	3.1
307.06100	3.0
308.07013	5.3
309.07602	4.4
309.11279	5.4
310.07852	2.0
321.07666	6.3
322.08350	3.1
323.05478	3.6
323.09271	15.8
326.07709	1.5
327.12311	9.7
335.09366	8.3
336.08463	3.8
337.09204	11.4
338.09842	20.9
339.08813	3.5
341.10236	10.7
351.01385	1.5
352.11725	2.2
353.10272	69.7
354.10550	3.6
362.10385	1.8
364.11868	2.0
365.12543	1.9
371.11386	5.2
380.15179	1.9
381.06171	4.2
406.12918	1.4
423.13156	6.7
426.15607	4.4
438.15497	13.5
452.13394	3.3
464.13568	9.7
470.14453	27.7
471.14911	2.2
482.14374	34.0
483.14896	2.5
500.15652	100.0
501.16025	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	499.3063
Annotation	6alpha-Hydroxylup-20(29)-en-3-oxo-27,28-dioic acid
Peak:m/z	Relative Intensity
60.99286	0.4
62.07081	0.3
70.62614	0.3
70.94002	0.6
70.94363	0.8
93.98067	0.4
126.07009	0.3
152.91525	0.3
154.28717	0.3
159.43710	0.4
185.77193	0.4
198.64366	0.4
347.58957	0.4
377.28375	0.9
379.29993	1.9
391.30173	1.4
393.31671	1.5
402.28433	0.4
407.29398	2.7
409.31174	1.0
421.27502	1.0
422.27991	0.6
425.30566	1.2
437.30588	9.2
439.28424	0.7
451.28589	1.8
453.30035	1.1
455.31805	1.8
469.29398	0.6
481.29630	7.1
482.30103	0.6
499.30637	100.0
500.30957	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	499.3064
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	0.8
59.01374	14.2
61.98820	1.4
69.03455	0.4
69.80801	1.9
71.01378	1.1
77.03972	0.5
83.01382	1.4
83.05017	3.7
85.02937	1.2
87.04507	0.8
91.60696	0.4
93.03435	1.2
96.95999	1.3
97.02925	0.7
97.06574	0.8
101.02412	0.7
107.05067	0.4
109.02928	2.4
111.00850	0.5
113.02406	0.5
119.05000	0.4
121.02929	3.4
122.03764	3.0
124.01675	0.9
125.02444	6.7
133.02939	0.6
135.04514	1.5
137.02443	18.6
137.03517	0.9
138.03203	0.7
146.03702	0.7
147.04526	0.5
149.02431	3.8
150.03214	7.4
151.03914	0.8
154.02690	0.7
159.04512	1.3
160.07545	0.4
161.02452	2.3
163.04036	0.5
163.11276	1.1
164.01147	2.2
165.01924	22.7
166.02509	0.9
167.03381	0.5
172.05286	0.7
173.04526	0.7
173.06030	1.3
174.03169	0.8
175.03978	3.1
177.01886	1.4
177.05510	0.8
179.03526	2.1
189.05490	0.6
189.12874	0.9
191.05592	4.6
197.05934	0.6
199.04033	0.6
199.07710	0.5
201.05531	3.7
203.03499	1.3
203.07001	0.6
208.84296	0.4
211.13303	1.9
215.07076	1.1
217.05060	1.1
219.06686	1.1
219.14049	0.5
225.05508	0.8
234.12526	0.6
237.14980	0.8
241.05414	0.6
243.06631	1.7
245.04424	0.5
258.05240	0.5
259.06036	4.5
269.04501	0.7
274.19189	0.4
287.05597	15.7
288.06335	8.7
289.06897	0.8
297.22141	1.6
315.15927	0.5
335.22263	1.7
343.15463	0.6
347.23788	2.7
353.24869	0.8
361.16129	0.7
361.25220	0.9
363.26941	12.1
364.27243	0.7
371.25879	0.6
397.22385	0.5
401.28464	0.4
403.26364	1.7
417.22324	0.5
419.29480	2.5
427.28421	1.3
435.28802	1.0
437.30627	0.5
455.20871	0.6
455.31992	0.9
469.29269	1.9
481.18750	0.7
481.29559	23.9
482.29871	2.0
499.20111	10.0
499.30634	100.0
500.19678	0.9
500.31064	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	499.3061
Annotation	Sodwanone A
Peak:m/z	Relative Intensity
57.95436	0.8
59.01382	4.4
61.98822	3.0
65.18845	0.9
69.88182	0.7
70.19849	0.7
71.62528	1.0
73.98312	0.7
77.66656	0.7
83.05009	3.6
85.02936	1.7
88.47965	0.8
92.36395	0.7
93.03443	1.5
93.11330	0.9
93.91534	0.9
96.96013	2.3
109.02962	0.8
110.70413	0.8
126.93331	0.9
135.04559	1.3
135.30580	0.7
137.02452	2.0
161.02391	0.8
165.01906	1.0
173.04610	1.4
179.03503	1.1
191.05614	7.9
275.20056	1.0
323.23795	7.0
327.20007	1.2
353.08633	1.1
353.58932	1.0
387.26816	1.1
389.28534	4.7
407.29285	1.1
433.27438	22.4
434.27795	1.9
451.28479	2.5
455.31735	1.4
463.28610	2.2
469.29755	1.9
481.29541	9.0
499.30643	100.0
500.30914	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	499.2544
Annotation	Unknow
Peak:m/z	Relative Intensity
53.29412	0.3
57.03437	0.6
59.01375	100.0
60.01713	0.6
61.98830	0.9
62.33363	0.3
68.99572	0.3
69.03458	0.4
69.65876	1.0
69.66312	0.9
71.01382	3.0
72.99305	0.6
73.02960	0.7
75.00886	0.6
79.95734	0.8
83.01398	0.3
83.75523	0.3
85.02941	1.8
87.00860	0.7
88.98800	0.3
89.02448	1.1
90.14462	0.2
90.48902	0.3
93.03459	3.1
95.01391	0.4
95.95233	0.4
96.96001	6.4
97.02959	0.3
98.19923	0.4
99.00892	0.6
101.02456	1.3
109.02969	0.6
111.04491	0.3
113.02444	2.6
119.03448	0.3
119.05044	1.0
123.04438	0.4
125.02439	2.2
128.03537	0.4
133.02956	0.4
134.03734	1.0
135.04504	2.7
136.04849	0.4
137.02434	2.8
145.02954	0.5
147.04524	2.3
149.02428	0.6
153.01874	0.3
160.01709	1.0
161.02411	1.7
161.04582	1.0
163.03990	1.4
165.01895	0.4
167.03604	0.4
173.04543	3.7
175.03995	0.9
176.01202	1.0
179.03482	2.1
180.03893	0.4
189.01944	0.3
191.03549	1.0
191.05580	6.3
192.05870	0.4
193.05144	0.8
205.12247	0.4
235.06183	0.6
239.06680	6.9
239.56841	2.7
240.06686	1.3
249.06155	0.7
267.07202	3.5
271.13425	0.4
293.12592	0.5
297.12100	0.3
301.42661	0.3
337.09070	1.5
353.08514	0.4
357.19220	0.3
397.11984	0.3
397.22299	0.8
399.18683	0.7
437.19809	0.4
439.23468	2.1
450.41132	0.3
455.19046	1.0
481.18527	0.6
483.70135	0.3
488.50262	0.3
499.18289	3.0
499.26202	1.2
500.42834	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.1972
Annotation	Verrucarin M
Peak:m/z	Relative Intensity
52.51295	0.5
57.03447	5.9
59.01376	15.6
61.98835	2.6
67.22922	0.5
69.27341	5.2
71.01373	1.6
73.02972	0.6
81.03452	2.2
83.01378	5.4
85.02951	1.0
85.38574	0.6
89.02435	0.6
93.03447	1.7
95.01382	0.8
95.05013	1.7
96.96008	1.8
97.02932	1.7
101.02395	0.6
108.02184	1.6
109.02928	2.4
113.02390	0.6
121.02959	2.1
122.03730	6.1
123.04531	3.7
124.01641	1.4
125.02443	29.0
135.04526	3.1
136.01573	0.9
136.05309	3.0
137.02441	18.3
139.03983	1.7
146.03745	1.6
148.05212	0.8
149.02408	2.2
150.03242	4.0
151.03972	2.0
159.04517	1.4
160.05309	1.0
161.02446	2.1
161.06091	1.3
162.03221	2.1
163.03990	0.8
164.01140	5.1
164.04774	0.8
165.01923	12.9
167.03485	4.0
172.05299	0.6
173.04573	0.7
173.05991	1.1
174.03201	0.9
175.03981	1.3
175.07721	0.7
177.01933	0.9
177.05537	0.6
179.03493	6.5
187.03954	0.8
188.04767	0.9
189.01988	1.1
191.05624	2.9
199.03941	0.6
200.04820	1.1
201.05582	1.4
202.06332	0.9
203.03339	0.7
204.04210	4.2
211.13304	0.6
212.04749	0.7
213.05533	1.4
215.07059	0.7
231.06905	1.0
239.98926	0.6
241.05098	0.7
243.06598	0.9
244.03725	0.7
244.07368	2.0
245.15395	0.8
255.06543	0.7
257.15320	0.7
259.16989	0.7
269.04608	0.5
270.05441	1.0
273.14932	10.5
285.15002	2.0
287.05557	1.7
287.16534	4.8
288.06461	2.7
289.14456	0.8
289.18051	0.7
291.15985	2.8
297.14963	0.6
301.14346	0.8
303.12216	0.7
303.15662	0.9
305.99258	0.5
309.11404	0.5
309.14862	0.7
313.14508	1.2
315.16040	7.0
319.15552	3.0
325.17877	0.8
327.16049	0.8
331.15375	1.2
333.17096	3.4
343.15411	1.1
343.19144	0.9
345.16925	0.8
361.16522	6.5
367.19138	2.8
369.17188	0.7
371.18542	0.8
373.16513	3.1
385.20206	2.4
395.18747	1.1
397.16452	1.2
409.20093	2.4
413.19513	1.7
415.17612	2.7
427.20981	0.9
437.19559	1.8
455.20883	5.8
457.18762	0.7
481.18588	3.4
499.19714	100.0
500.19998	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	499.1817
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	0.8
57.03442	3.3
58.00585	0.7
59.01372	20.8
61.98827	1.0
67.01875	1.3
68.99812	1.8
69.03441	1.5
69.60880	1.0
69.61289	1.4
70.48615	0.3
71.01372	24.1
72.99300	5.4
73.02922	1.5
75.00863	17.6
81.03451	1.0
83.01380	1.1
83.05022	1.2
84.02118	0.6
85.02943	26.4
87.00864	8.7
89.02433	7.3
90.18993	0.4
91.04005	1.0
92.85196	0.4
93.03438	1.2
95.01376	5.9
96.96017	0.5
97.02951	0.5
98.19889	0.9
99.00860	8.6
99.04507	1.1
101.02433	0.8
103.00375	3.2
107.05013	0.6
109.02959	0.8
111.00916	0.5
111.04526	0.5
113.02435	35.9
113.06052	0.5
114.02779	0.7
115.00340	1.3
115.67769	0.4
117.01928	2.4
124.05304	0.4
125.02437	8.8
129.01903	1.6
131.03448	1.2
135.04520	1.2
137.02440	2.6
146.03738	0.8
149.04570	0.7
157.01439	1.3
158.20174	0.4
161.02440	0.9
161.13327	11.3
162.02765	0.7
165.01936	1.4
173.04512	1.1
175.02457	2.7
177.01955	0.5
179.03534	0.9
187.11275	3.0
191.05603	2.5
205.07097	2.5
205.12291	9.0
207.05074	1.3
223.08105	1.1
231.04910	2.1
249.06120	23.9
250.06523	1.0
267.07172	100.0
268.07578	3.0
271.13504	0.6
291.88153	0.4
310.41705	0.5
343.15228	0.5
350.75839	0.4
437.18781	1.7
449.08899	0.4
455.19156	45.6
456.19656	3.6
481.18219	1.9
499.10828	1.1
499.18228	21.4
500.18704	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.1817
Annotation	Unknow
Peak:m/z	Relative Intensity
52.13679	0.4
54.96171	0.5
55.01878	1.1
57.03444	3.2
58.00572	0.6
59.01375	27.3
60.99263	0.4
61.98824	5.1
65.47843	0.4
67.01875	0.9
68.99859	0.5
69.03456	1.0
70.36589	1.1
70.55296	0.4
71.01379	24.0
71.49634	0.3
72.99306	4.3
73.02924	1.3
75.00866	13.2
81.03451	0.7
83.01363	1.2
83.05027	1.1
85.02946	25.6
87.00333	0.5
87.00869	9.4
88.98795	1.0
89.02439	7.4
91.04008	1.0
93.03445	1.6
95.01381	5.1
96.96009	3.5
97.30355	0.4
98.92301	0.4
99.00873	7.9
99.04503	0.8
101.02430	2.4
103.00378	3.2
107.05054	0.5
111.00842	0.9
112.01656	1.0
112.95546	0.4
113.02441	37.3
114.02715	0.4
115.00361	1.4
117.01927	2.3
119.03497	0.8
119.04980	0.7
121.02969	0.7
123.04460	0.5
125.02441	4.9
128.03535	0.7
129.01932	3.0
129.52919	0.5
131.03487	0.9
133.06522	0.4
135.04509	1.1
137.02428	1.6
138.74904	0.4
149.04538	0.9
157.01439	0.4
160.01593	0.6
161.02435	0.7
161.04602	0.5
161.09732	0.4
161.13342	5.1
163.03993	1.4
165.01898	0.8
167.03510	0.8
171.08435	0.4
173.04579	1.9
175.02562	2.4
179.03491	1.4
187.11235	1.6
188.70251	0.5
191.05617	4.0
205.07158	1.8
205.12314	5.3
207.05107	1.6
223.08228	0.7
231.05074	0.5
238.05952	0.6
249.06116	9.0
267.07181	100.0
268.07529	2.5
271.13345	0.6
337.09201	0.7
338.89548	0.5
353.08667	0.5
421.31763	0.5
437.18338	0.5
455.19183	30.8
456.19522	2.3
464.32352	0.5
481.18463	0.6
499.18307	22.7
500.18491	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.1819
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03307	2.3
57.03620	1.3
59.01574	12.1
61.98714	1.0
67.01765	0.8
68.99706	0.9
69.03349	1.0
71.01231	16.5
71.01676	5.2
72.99153	3.2
73.02836	1.1
75.00720	13.0
75.01197	3.4
83.01241	1.0
83.04902	0.6
85.02785	20.1
85.03362	3.6
87.00713	6.7
87.01291	1.1
89.02283	5.7
89.02876	0.9
93.03358	1.0
95.01213	4.4
96.95834	3.3
99.00709	7.5
99.04387	0.9
101.02315	0.7
103.00189	2.7
109.02788	0.7
111.00772	0.9
112.01519	0.9
113.02271	31.9
113.03146	3.1
114.02646	0.6
115.00190	1.6
117.01755	1.8
119.04810	0.5
125.02258	4.4
128.03392	0.6
129.01767	2.0
131.03355	0.6
135.04378	1.4
137.02254	1.6
149.04413	1.0
157.01317	0.8
161.02260	1.6
161.04411	0.7
161.13322	9.8
163.03922	0.8
167.03416	0.8
173.04491	3.4
175.02451	3.0
179.03383	1.1
181.03862	0.6
187.11308	3.1
189.03946	0.6
191.05449	2.2
205.07024	2.4
205.10532	0.7
205.12308	8.9
207.04915	1.7
231.04958	1.6
249.06134	23.3
249.08737	1.3
249.11342	0.8
267.07181	100.0
268.07605	3.1
271.13135	0.6
281.07816	0.7
289.14435	0.7
295.09598	0.8
296.10144	1.2
323.15149	1.2
337.09256	1.2
366.13297	0.8
369.10037	0.7
370.10214	2.0
407.13956	1.0
409.15109	0.8
415.89102	0.6
437.13913	1.1
437.19321	1.3
455.19260	34.6
456.19727	2.8
463.14627	0.8
481.13812	1.9
481.19391	1.2
499.18967	24.3
500.19238	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.1819
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	0.8
57.03441	3.3
59.01377	26.9
61.98832	5.7
69.03442	0.7
71.01379	24.6
72.99308	4.9
73.02936	1.5
75.00869	12.8
79.44783	0.5
79.95713	0.8
83.01374	1.8
85.02946	26.8
87.00870	8.9
89.02446	7.2
93.03445	2.0
95.01376	5.1
96.96006	5.0
99.00881	7.5
99.04543	0.8
101.02452	2.6
102.05597	0.8
103.00366	3.6
108.02145	0.6
109.02936	0.9
111.00883	0.9
112.01646	0.6
112.98584	0.5
113.02444	37.6
115.00346	1.2
117.01915	2.8
119.05023	0.9
121.02955	1.3
125.02443	6.8
128.03534	0.8
129.01956	2.5
131.03458	0.8
135.04506	1.8
136.04947	0.5
137.02437	2.4
137.05676	0.5
138.01971	1.4
146.03700	0.8
149.04556	0.8
157.01431	0.8
161.02412	1.9
161.13359	5.7
163.03960	1.2
165.01921	1.0
167.03482	0.5
173.04555	2.9
175.02426	2.5
179.03522	1.9
187.11237	1.9
191.05603	5.5
192.05931	0.6
205.05249	0.6
205.07100	2.7
205.12346	5.9
207.05038	1.6
207.64067	0.6
213.71185	0.6
223.08255	0.8
229.30641	0.6
239.06711	1.9
249.06105	8.5
267.07190	100.0
268.07523	3.0
323.07690	0.8
353.08572	1.0
387.88324	0.6
437.19342	1.1
455.19214	31.9
456.19467	2.4
465.21457	0.6
481.18094	1.6
497.03702	0.6
499.18369	20.9
499.29324	0.9
500.18484	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	499.1487
Annotation	Unknow
Peak:m/z	Relative Intensity
52.89232	0.4
57.03447	0.5
59.01376	8.1
61.98824	0.6
68.48540	0.3
69.57520	0.3
69.75697	1.9
70.45426	0.4
71.01373	0.9
72.89866	0.3
73.02932	0.3
78.95886	2.0
79.95727	3.2
85.02943	1.2
89.02458	0.3
96.96009	100.0
96.96889	3.2
97.27021	0.3
98.20611	0.7
106.74034	0.3
106.94276	0.3
113.02459	0.4
113.92603	0.5
114.93417	2.0
119.03535	0.3
125.02460	1.1
137.02426	1.2
149.09003	0.3
150.03172	0.3
161.02411	0.4
165.01932	1.3
167.03442	0.5
191.05612	1.3
255.22684	0.4
270.68002	0.3
287.05640	0.7
288.06555	0.4
395.00146	0.3
413.15225	0.6
455.22928	0.5
499.12088	0.5
499.19806	2.4
499.26584	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.1816
Annotation	Unknow
Peak:m/z	Relative Intensity
51.16718	0.2
57.03453	0.2
59.01370	1.3
59.63870	0.2
67.01883	0.4
69.95049	0.3
69.95456	0.6
71.01382	0.9
71.82519	0.2
72.99325	0.2
73.02951	0.4
81.03461	0.3
83.05013	0.3
85.02948	8.4
87.00878	1.6
93.03459	3.5
96.95996	0.4
98.19888	0.3
99.04507	0.5
109.02953	0.9
111.04506	1.3
127.04011	2.3
127.13161	0.2
134.03743	0.2
135.04541	0.3
137.02426	0.2
155.03537	0.3
159.04562	0.2
161.02458	0.2
171.02965	0.5
172.05276	0.2
173.04552	2.8
173.05984	0.4
187.04010	2.0
187.07651	2.0
191.05597	100.0
192.05945	2.1
198.14183	0.2
199.04163	0.2
199.64021	0.2
202.06342	3.2
203.06787	0.2
213.09210	0.2
215.07063	0.7
231.10165	0.9
245.11888	0.4
247.09758	0.3
255.73126	0.2
257.08160	0.2
263.12836	0.7
271.02554	0.4
275.09390	0.4
289.10828	1.1
300.02655	0.6
301.03537	0.3
307.11841	2.8
325.12930	0.5
449.15109	0.2
463.08829	1.1
463.14609	0.2
463.21783	0.6
481.17148	3.5
499.18619	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.1278
Annotation	Unknow
Peak:m/z	Relative Intensity
51.98296	0.3
54.29309	0.3
57.42427	0.3
63.05154	0.3
69.32391	3.1
79.95733	51.2
80.96516	0.6
84.17478	0.3
85.02959	0.4
93.03465	0.8
95.94588	0.4
95.95227	13.8
96.96004	100.0
98.20629	0.8
107.58738	0.3
110.97576	7.5
115.04007	0.4
117.65652	0.4
135.04509	0.4
137.02435	1.0
138.03294	0.5
141.95772	1.4
149.99892	1.4
151.04012	0.3
152.01147	0.9
163.04015	0.4
164.98669	0.4
166.02715	1.4
167.03462	1.2
173.04485	0.9
179.03383	0.4
181.05077	1.6
187.07632	0.7
189.01897	0.3
191.05563	4.6
192.04309	0.7
205.08743	0.5
207.06592	1.0
208.07497	0.4
239.06697	0.5
250.07809	0.4
263.44131	0.3
274.01611	0.4
287.02246	0.4
289.03821	1.3
303.05212	0.3
307.11938	0.8
345.06628	0.5
353.65488	0.4
389.11981	1.6
402.89764	0.3
451.40274	0.5
469.08109	0.9
481.17490	0.5
484.10428	2.3
499.12766	95.8
500.13135	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	499.1118
Annotation	Unknow
Peak:m/z	Relative Intensity
53.61213	0.2
67.01891	0.2
72.99297	0.8
78.95897	4.4
79.95728	3.0
85.02946	0.3
93.03452	1.0
96.96004	100.0
96.96902	7.7
111.04494	0.3
119.50697	0.2
121.02921	0.2
123.20291	0.2
127.04108	0.3
129.18687	0.2
133.32019	0.2
161.02448	0.2
173.04535	1.2
173.05896	0.2
179.03584	0.2
187.07648	0.3
190.06281	0.2
191.05611	3.0
201.09273	0.2
203.07022	0.2
208.69354	0.2
219.10251	0.4
231.10266	0.2
247.06361	0.4
249.11115	0.2
289.07086	0.3
293.10269	0.5
313.60623	0.2
325.12915	0.5
334.82068	0.2
345.86481	0.2
455.20026	0.2
499.12656	0.8
499.18509	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.1241
Annotation	Unknow
Peak:m/z	Relative Intensity
56.21465	0.5
57.03428	1.2
59.01377	3.9
60.99289	0.7
61.98817	0.9
67.01881	3.7
69.03455	1.0
70.62794	1.3
71.01382	4.0
73.02927	0.7
79.95734	1.9
81.03469	0.8
83.05033	1.3
85.02948	4.5
87.00860	1.7
88.98799	0.9
89.02429	0.9
93.03452	24.2
94.03763	0.4
96.95999	7.2
98.95591	0.8
99.00887	0.7
99.04525	0.5
101.02386	0.5
109.02962	1.3
111.00867	0.7
111.04515	6.1
113.02441	1.3
117.03396	0.6
119.05014	20.2
121.02976	0.5
121.38768	0.4
125.02402	0.6
127.03990	1.4
128.03534	0.6
133.02919	2.1
134.03709	0.9
135.03474	1.1
135.04515	21.8
136.04814	1.0
137.02432	6.9
145.02928	1.5
147.69293	0.4
150.08752	0.4
155.03499	5.4
161.02443	7.2
163.03998	35.4
164.04384	1.1
173.04530	100.0
174.04884	2.1
179.03484	17.5
180.03764	0.7
189.01996	1.1
191.05592	50.6
192.05940	1.7
231.06929	6.1
231.57127	1.8
232.06824	0.9
232.56845	0.7
239.06705	7.7
239.56926	1.5
267.07156	1.8
319.08395	0.4
335.07736	0.9
337.09250	60.1
338.09552	3.2
353.08731	19.7
354.08926	0.7
365.17758	3.1
399.18457	1.9
404.91010	0.5
454.16660	0.4
463.72668	0.5
473.37305	0.5
499.11688	2.4
499.18353	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	498.2893
Annotation	Tauroursodeoxycholic acid
Peak:m/z	Relative Intensity
57.03476	0.2
59.01361	0.8
61.98826	0.7
71.18772	0.5
79.26276	0.2
79.95732	7.1
80.96515	2.5
84.00037	0.2
84.86814	0.3
85.02941	0.3
93.03447	0.5
96.95994	0.6
100.90195	0.2
106.98080	3.3
108.02151	0.2
109.02924	0.2
121.02881	0.2
122.03669	0.3
124.00741	3.0
125.02406	0.8
135.04517	0.3
137.02437	2.6
149.02435	0.3
150.03244	2.0
152.39598	0.2
161.02454	0.3
165.01941	1.2
166.02667	0.2
173.04616	0.4
177.01855	0.3
178.02811	0.2
179.03404	0.3
186.84773	0.2
191.05580	2.1
233.21240	0.2
259.06003	0.4
264.36395	0.2
283.11441	0.2
285.76672	0.2
287.05505	1.2
288.06500	0.6
416.31647	0.3
498.28894	100.0
499.20892	0.5
499.29254	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	497.3635
Annotation	3beta-Acetoxy-1beta,11alpha-epidioxy-12-ursene
Peak:m/z	Relative Intensity
59.01370	1.8
61.98849	0.5
70.42198	1.1
73.74586	0.3
73.99725	0.3
95.05028	1.0
97.06591	2.6
113.02435	0.6
115.07655	0.4
125.02434	0.6
141.05571	1.3
159.06668	0.5
185.04413	0.5
283.26416	0.5
290.96304	0.3
437.34256	3.0
455.46591	0.4
497.36298	100.0
498.36694	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	497.2903
Annotation	Sodwanone G
Peak:m/z	Relative Intensity
57.03442	0.9
57.10132	0.5
59.01368	1.3
60.99297	2.6
61.98818	1.9
63.74468	0.6
71.62257	1.1
75.29282	0.5
88.39050	0.6
96.96014	0.7
97.06593	2.6
102.21925	0.7
112.89622	0.7
123.08138	2.0
125.08796	1.1
125.09716	21.5
185.67169	0.6
187.09740	33.9
188.10051	1.5
247.20547	0.6
291.19601	11.2
291.22601	0.9
292.19955	0.8
309.20715	11.2
310.21097	1.2
350.81784	0.7
389.28232	1.2
390.25629	1.0
391.30057	1.4
394.47678	0.7
405.27841	1.0
433.27332	1.9
435.28888	1.3
449.26901	44.5
450.27255	4.2
479.28235	1.1
497.29053	100.0
498.29431	11.2
513.17462	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.2904
Annotation	Sodwanone G
Peak:m/z	Relative Intensity
56.72948	0.3
59.01369	0.9
59.92545	0.4
60.99294	0.4
61.98828	0.9
63.11226	0.3
64.34748	0.4
69.03441	0.4
70.89362	0.6
70.89681	0.6
83.05016	5.0
96.96006	0.7
121.21564	0.4
135.02997	0.3
152.99489	0.7
233.15321	0.5
256.02051	0.5
325.25351	0.4
339.23209	0.4
369.24396	1.8
377.28308	0.8
389.28491	1.0
391.30087	1.9
405.27939	1.6
420.26831	1.0
423.29028	1.4
425.26822	1.4
435.29016	4.5
437.26831	0.5
449.26849	1.4
453.30017	1.7
454.31238	0.4
467.28067	0.9
479.27969	20.1
480.28061	1.7
490.10928	0.4
497.29062	100.0
498.29483	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	497.2239
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14131	1.2
53.19722	1.2
54.72153	1.2
55.01867	2.0
57.03455	2.1
58.00581	2.1
59.01379	76.9
61.89494	1.2
61.98828	1.8
69.03455	4.0
71.01378	79.3
71.62354	1.3
72.99292	3.7
73.02950	11.7
75.76424	1.2
77.51434	1.2
81.03468	2.8
83.01383	5.0
85.02950	10.1
87.00880	3.4
87.23964	1.2
89.02439	90.0
93.03448	16.6
95.01374	2.6
96.96004	2.9
97.02934	8.1
99.00893	3.1
101.02443	29.0
107.05023	3.1
109.02961	6.1
111.04527	1.9
113.02435	11.2
119.03512	3.2
123.00872	1.5
123.04515	1.3
125.02438	29.2
131.03497	26.5
133.02957	7.7
134.03714	4.5
135.04521	50.2
136.04756	1.6
137.02428	7.1
143.03488	3.1
143.10767	100.0
144.11110	3.7
147.04498	1.3
149.04544	38.5
159.04364	3.0
161.02438	38.7
162.02870	1.7
173.04596	9.5
174.06818	1.9
179.03479	30.5
185.06087	3.6
191.05598	20.3
192.05936	1.2
207.03038	1.7
209.06024	3.3
211.07639	11.9
229.08730	3.8
231.10445	1.3
233.06628	4.5
239.06660	3.6
255.06612	8.8
273.07693	22.8
275.07779	1.9
293.08771	82.9
294.08975	2.8
299.05624	2.7
317.06653	12.3
317.21060	7.1
335.07684	2.3
335.22263	1.9
353.09369	1.3
437.20038	4.9
457.01044	1.4
479.16125	2.1
497.10611	5.3
497.17264	2.7
497.27557	28.0
498.27573	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	497.2231
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01848	1.5
57.03428	2.5
57.65065	1.2
58.00604	1.4
58.61105	1.3
59.01377	66.4
61.98824	8.4
69.75742	5.3
71.01377	64.2
72.99315	4.1
73.02957	7.7
75.00856	5.7
79.95736	5.0
81.03436	1.8
83.01379	2.9
85.02962	12.9
87.00865	6.6
89.02441	74.3
89.34697	1.5
93.03452	10.7
95.01388	1.7
96.96011	12.5
97.02927	3.3
98.19960	2.8
99.00842	3.4
101.02438	19.7
109.02935	3.6
111.04498	2.0
113.02443	17.1
116.05021	2.1
119.03452	3.4
121.02937	1.9
123.04497	2.4
125.02440	18.0
131.03499	23.7
133.02913	4.4
135.04529	14.9
137.02374	2.4
143.10774	100.0
144.11055	2.3
149.02521	1.6
149.04553	38.8
161.02455	9.9
173.04576	8.9
175.07535	1.8
179.03528	10.2
191.05608	32.2
191.07335	2.5
203.10593	2.2
231.06824	4.7
233.06618	2.0
239.06708	45.6
239.56749	6.2
249.06041	6.2
267.07190	23.3
272.17908	1.4
293.08783	56.5
335.22440	7.8
338.13837	1.6
353.08566	2.9
365.17853	3.4
374.84503	1.6
381.17023	1.7
382.12799	4.8
399.18341	5.7
437.20044	5.7
453.17050	2.5
479.15591	3.2
497.16388	22.8
497.27448	69.3
498.13434	3.1
498.27682	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	497.1564
Annotation	Unknow
Peak:m/z	Relative Intensity
54.19290	1.1
59.01365	3.5
67.01876	2.6
69.03438	2.2
69.37527	3.0
69.37952	4.7
69.96489	0.8
70.02972	9.5
71.01392	4.5
72.99295	3.8
81.03436	1.6
83.01388	5.3
85.02945	3.7
87.00887	1.7
88.80025	0.9
93.03463	12.0
94.06614	1.9
95.01392	1.8
95.05003	1.2
96.96014	8.2
97.02950	6.9
98.53793	1.0
101.02432	2.3
108.02161	2.1
109.02941	22.7
111.00848	1.2
111.04469	2.1
113.02444	1.1
114.01965	25.5
119.03474	1.7
119.04949	1.2
121.02962	5.7
122.03726	4.4
123.00892	2.4
123.04517	29.4
124.01637	1.6
125.02435	4.0
133.02962	2.0
134.06102	2.1
135.04544	6.0
137.02437	7.0
139.03966	4.7
140.96056	0.9
145.02913	2.8
146.03696	3.6
147.04514	1.3
149.02440	9.3
149.06091	1.4
150.03146	2.2
150.09169	1.5
151.03989	11.8
158.06136	1.3
159.04530	4.7
161.02446	7.3
161.06059	7.4
162.03252	7.3
163.03976	3.7
165.01962	1.4
165.05547	2.6
172.07680	1.6
173.04562	11.3
173.05984	1.6
174.03235	3.5
175.03946	2.7
175.07588	1.7
176.07187	4.6
177.01889	8.8
177.05521	4.9
179.03581	1.0
186.09285	1.2
187.04048	3.0
187.07631	2.1
188.04747	3.0
188.10811	2.2
189.01991	1.0
189.05576	4.2
191.05603	28.1
192.05927	1.4
201.05609	1.6
202.02689	1.2
202.06429	1.7
202.08725	3.2
203.03525	1.3
203.07123	11.6
204.04102	1.1
205.05040	15.2
206.05595	1.3
214.08687	1.9
217.05019	1.2
218.08244	3.7
221.08073	1.0
228.10388	1.1
229.08601	1.0
230.05872	1.9
230.08070	7.6
231.02972	2.0
231.06613	1.4
232.09734	1.7
243.06454	1.7
247.06091	3.9
248.07082	1.0
249.07640	14.7
258.07678	6.2
258.10089	0.9
289.11890	2.8
296.12946	2.0
301.11975	7.6
314.14017	3.7
329.11279	2.3
338.13849	11.4
382.12906	38.4
383.12949	1.8
417.19412	9.5
453.16632	14.2
454.17072	1.5
482.84708	1.0
497.15652	100.0
498.15942	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	495.2001
Annotation	Unknow
Peak:m/z	Relative Intensity
58.88638	2.2
59.01376	100.0
61.98810	9.2
67.01861	2.9
71.01386	25.4
72.18267	2.6
73.02940	18.9
78.95891	17.2
83.01396	6.6
85.02961	14.9
86.56982	2.6
87.00871	3.5
89.02437	17.7
93.03435	4.2
96.95985	9.6
99.00916	4.1
101.02444	22.5
111.03026	2.6
113.02420	12.8
119.03462	4.5
123.00075	3.1
123.64470	2.3
125.02427	3.4
126.84367	2.4
131.03430	4.5
133.02950	4.5
134.97542	2.8
135.04468	3.4
137.02473	4.2
145.40196	2.5
145.60657	2.5
145.70601	2.6
149.04543	5.6
151.23521	3.2
152.99548	12.6
160.37131	2.5
161.02483	13.7
161.04504	3.4
171.00606	5.5
173.04488	6.0
179.03397	4.5
187.29282	3.0
191.05606	25.6
201.62596	2.6
239.10141	2.9
261.18503	3.7
271.49911	2.8
333.20490	2.9
335.22348	24.5
409.12726	8.2
423.23489	3.1
459.22278	29.9
495.19821	31.5
495.26297	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	495.1865
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	0.3
59.01374	3.7
61.98810	0.2
63.10490	0.2
66.85046	0.2
66.91684	0.1
67.01863	0.4
67.86420	0.2
68.44501	0.2
69.03445	0.2
69.29733	0.3
69.30130	1.2
71.01376	1.7
71.21581	0.2
72.99291	0.2
73.02937	0.6
75.19210	0.2
79.95736	1.0
81.03447	0.3
83.05038	0.3
85.02945	8.7
87.00873	1.9
89.02467	0.2
93.03453	4.6
95.95238	0.5
96.96008	3.4
98.95580	0.4
99.00871	0.2
99.04493	0.3
101.02436	0.5
105.01921	0.3
109.02928	1.0
111.04531	1.2
113.02456	0.3
117.69141	0.1
125.02427	0.3
127.04018	2.1
129.01888	0.3
133.02977	0.2
134.03773	0.2
135.04507	0.3
137.02396	0.3
143.03406	0.2
147.02979	0.3
161.02397	0.8
171.02956	0.6
173.04501	2.1
179.03568	0.2
183.04510	0.2
191.05594	100.0
192.05911	2.1
193.05049	0.4
210.03174	1.0
211.03946	0.9
213.09241	1.3
214.46190	0.2
231.06898	1.7
231.57106	0.7
232.06857	0.5
232.56885	0.4
238.05972	0.3
239.06694	12.3
239.56850	1.5
240.06535	0.3
242.05730	0.9
257.08228	0.2
271.09671	0.6
274.08658	0.2
289.10751	0.6
303.12381	0.5
321.13330	0.3
365.17966	1.7
366.18008	0.3
367.10233	0.4
373.22476	0.2
374.42435	0.2
399.18472	0.3
439.64893	0.2
463.16092	2.7
464.16772	0.2
495.18597	0.5
495.32346	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.3453
Annotation	Unknow
Peak:m/z	Relative Intensity
53.41315	24.4
60.42238	24.2
61.98818	40.2
65.57615	24.9
69.51993	77.0
69.52410	100.0
75.15293	27.1
78.95892	41.4
96.95927	39.1
126.33488	28.7
152.99541	61.4
185.05550	26.0
219.92273	26.0
298.86758	30.5
404.24319	32.7
464.50262	26.6
493.34723	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	494.2394
Annotation	Unknow
Peak:m/z	Relative Intensity
56.68774	0.7
61.94442	0.7
61.98828	100.0
62.25814	0.8
62.26116	0.8
64.15975	0.7
70.35044	0.9
70.71668	0.8
71.61658	1.2
90.42173	0.8
96.95996	0.9
119.04992	1.4
124.67629	0.9
145.02876	4.6
232.53033	0.8
431.24298	6.2
467.96634	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.2651
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	2.3
57.03440	3.0
57.38149	1.2
58.00591	3.1
59.01377	100.0
61.98829	3.8
67.04511	1.1
69.03455	1.6
71.01378	66.6
72.99303	3.8
73.02952	9.8
83.01381	5.0
85.02947	16.8
87.00880	3.7
87.04504	3.0
88.98820	2.6
89.02439	67.6
93.03468	2.7
95.01398	4.5
96.96006	17.0
98.20692	4.0
99.00881	4.5
101.02441	46.1
107.78471	1.2
108.02277	1.1
109.02956	3.9
113.02438	25.4
116.05082	3.6
119.03500	27.1
123.04610	1.2
125.02409	1.5
129.01938	1.8
131.03500	3.6
133.02975	1.4
135.04527	3.4
136.04816	1.8
138.02017	1.5
138.62390	1.2
143.03499	7.5
149.04593	3.0
151.03952	3.5
155.00323	1.2
159.02953	4.0
159.06598	1.7
160.04019	5.7
161.02420	4.6
161.04527	14.9
165.01944	1.5
173.04495	3.8
174.64561	1.3
179.03787	1.6
179.05602	30.4
180.07800	1.3
186.12439	4.7
191.05586	7.8
271.19141	3.7
273.87857	1.3
304.08224	3.0
315.18314	3.1
333.19281	5.3
345.19189	3.8
359.92114	1.6
363.20303	8.9
414.11899	3.3
433.24396	95.0
434.24619	7.1
493.16855	2.6
493.23022	5.1
494.07611	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	493.1842
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	1.3
57.03440	1.2
59.01374	100.0
60.01684	1.5
61.98840	2.5
71.01373	13.1
71.33556	1.7
72.99306	1.3
73.02928	4.9
74.99087	1.2
79.95728	2.4
83.01374	2.5
85.02944	6.6
86.50782	1.0
87.00863	1.1
88.98807	4.9
89.02422	4.5
93.03474	3.8
95.01408	1.8
96.96004	16.4
97.02982	1.4
99.00873	1.6
101.02449	10.7
113.02394	6.7
116.19122	0.9
121.02955	1.2
123.04508	2.0
125.02462	1.3
133.02962	1.6
135.04498	3.3
137.02467	3.0
139.04033	1.2
143.03485	0.9
159.03041	1.6
161.02434	4.3
161.04539	2.7
167.03464	3.2
168.03793	1.8
173.04532	3.2
179.03426	2.1
191.05589	7.7
197.11801	6.5
209.15334	1.3
231.03146	1.1
231.06927	22.6
231.54984	1.1
231.56999	4.7
232.06844	1.5
239.06633	6.0
239.56839	3.5
253.09200	1.4
294.34222	1.0
331.19058	1.4
338.42285	0.9
353.19598	6.1
354.20221	1.1
365.17859	6.7
366.18179	1.0
371.20731	11.8
390.21927	1.1
413.21738	20.9
414.22171	1.4
433.20453	2.1
433.28143	1.2
451.21747	1.4
493.12372	1.1
493.30081	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	493.0982
Annotation	Unknow
Peak:m/z	Relative Intensity
56.45472	0.4
57.03430	0.6
59.01092	0.7
59.01376	9.3
59.01863	0.4
60.99287	0.4
61.36322	0.4
63.02387	1.0
65.00322	5.5
70.06713	1.7
70.07121	0.9
71.01379	2.2
72.99316	0.6
81.15078	0.4
82.80164	0.5
83.01365	3.2
85.02928	0.8
89.02448	1.3
93.03465	3.1
96.96002	9.2
96.96950	0.7
101.02427	1.3
107.01384	9.3
109.02992	0.6
113.02444	1.6
117.03482	2.2
117.08214	0.5
125.02422	4.2
130.15413	0.5
131.04898	0.5
135.03595	0.5
135.04478	2.4
137.02420	0.7
151.00359	22.5
153.01857	0.5
157.06473	0.6
159.04469	3.1
161.02432	8.2
161.04535	1.4
169.01520	0.5
177.05537	1.1
177.52333	0.5
179.05542	0.7
179.65126	0.5
191.05591	1.6
193.01370	1.0
198.35439	0.5
201.05547	4.8
245.04514	100.0
246.04889	4.6
289.07193	1.7
301.50229	0.5
331.18161	0.6
385.13779	0.5
433.24554	3.4
449.10797	9.9
450.11377	0.9
457.38010	0.5
492.05624	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	492.2732
Annotation	Unknow
Peak:m/z	Relative Intensity
53.86704	0.9
56.70250	0.8
59.01361	2.5
61.98822	3.0
69.53149	1.9
69.53568	4.0
71.01373	0.9
77.53056	0.9
78.95898	41.5
79.95680	1.0
96.96030	1.2
96.96976	3.1
98.19898	1.9
113.09725	1.7
118.35528	0.9
140.01161	3.1
152.99568	7.1
161.02449	1.2
171.00673	7.8
183.87801	0.8
191.05504	1.1
195.13889	20.3
196.03734	1.7
214.02977	0.9
214.04781	4.3
249.22202	0.9
277.21707	13.8
278.22205	0.9
286.84732	0.8
295.22763	100.0
296.23108	4.5
353.03006	0.9
484.83514	0.8
492.27231	55.1
492.32864	2.3
493.27438	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	491.3291
Annotation	Unknow
Peak:m/z	Relative Intensity
65.40812	53.1
67.91764	44.5
72.70799	40.9
81.40240	44.9
83.31451	49.2
87.99904	50.5
89.55578	43.4
98.19849	100.0
99.07078	51.0
118.31757	44.6
124.36350	49.7
168.16216	54.3
188.47098	46.5
209.45662	46.9
234.71504	44.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	492.2728
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01366	5.3
61.55111	1.7
61.66980	1.5
61.73284	1.7
61.98804	5.5
71.01371	2.1
71.61832	2.8
78.95467	3.3
78.95900	41.0
93.03471	1.8
113.09690	3.8
140.01178	9.9
149.67480	1.6
152.99596	2.7
171.00549	2.2
171.10228	2.8
191.05521	2.4
195.13892	21.0
196.03807	15.1
196.14232	1.7
214.04805	4.0
277.21689	19.1
295.22754	100.0
296.23074	7.5
492.27182	88.5
493.27512	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	491.3218
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	0.2
57.03433	0.1
58.00580	0.2
59.01373	3.7
61.98848	0.0
69.03442	0.1
71.01376	3.4
71.45564	0.1
72.99298	0.3
73.02940	0.9
75.00851	0.0
75.67327	0.0
81.03457	0.1
83.01376	0.5
85.02944	0.9
87.00862	0.4
89.02435	2.7
91.04005	0.1
95.01373	0.3
97.02949	0.2
99.00878	0.2
99.04556	0.1
101.02435	3.6
103.04016	0.1
112.96874	0.0
113.02441	1.6
115.03992	0.1
119.03497	0.8
121.13342	0.0
125.02433	0.2
126.14905	0.0
127.04008	0.1
131.03453	0.2
133.05089	0.4
143.03473	0.3
145.05003	0.1
146.28523	0.0
149.04538	0.0
157.05066	0.2
161.04538	1.3
170.28355	0.0
179.05621	0.4
235.08224	1.7
237.22040	0.1
253.09270	12.1
254.09529	0.4
255.23257	100.0
256.23596	5.4
269.24863	0.1
464.77319	0.1
491.37656	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	491.2857
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	0.8
57.03432	0.8
58.00570	0.6
59.01379	22.9
61.98799	0.3
69.03452	0.5
70.47143	0.5
70.47535	0.5
71.01379	9.8
72.99295	0.9
73.02949	2.8
80.29729	0.2
81.03439	0.3
81.40081	0.2
83.01375	2.0
85.02950	4.8
86.00103	0.7
87.00869	4.2
89.02441	1.5
93.03473	0.3
95.01374	1.1
97.02940	1.1
99.00890	1.4
101.02447	5.5
111.00840	0.5
112.01659	0.5
113.02444	3.1
113.09712	0.8
116.92898	0.3
119.03509	0.4
123.04529	0.3
124.01636	0.9
125.02442	1.9
127.11263	1.1
141.12906	0.4
143.03444	0.8
143.10745	0.4
161.02451	0.3
173.04504	0.3
191.05624	0.9
230.02258	0.2
233.06670	0.4
239.20166	0.3
241.21753	0.8
267.19345	0.3
269.21210	4.3
271.02393	0.4
271.22900	0.4
285.20593	0.9
287.22256	39.9
288.22629	2.5
299.22232	1.1
301.23761	0.9
311.22592	0.3
329.23355	0.7
334.06833	0.3
393.68143	0.3
431.26456	16.5
432.26920	1.2
449.27518	44.5
450.27820	3.2
467.59503	0.3
491.28571	100.0
492.28940	8.9
492.35989	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.266
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	0.5
62.34803	0.2
66.03468	1.0
71.02510	3.3
73.04050	0.4
82.01726	0.6
83.02507	0.3
85.02952	0.4
91.05505	0.4
96.96012	0.4
97.00435	0.7
98.01215	0.6
98.20734	0.5
99.01984	0.5
110.03615	1.6
111.01994	0.8
113.07191	0.5
115.08771	11.4
116.05058	1.6
118.06621	3.3
122.23569	0.3
125.07198	3.5
126.05597	1.9
131.05032	0.4
137.07161	0.4
139.05130	0.3
141.06697	4.7
146.06108	9.2
152.08272	1.0
153.06696	0.9
153.09059	0.3
154.07489	0.3
157.05367	0.5
163.08763	1.0
164.09604	0.3
167.11859	0.5
168.07767	1.3
169.13484	1.0
170.09326	2.8
173.07166	1.1
174.05576	0.9
178.00507	0.3
179.11874	4.7
185.04904	0.3
187.04916	0.3
189.06703	0.4
194.13014	0.8
195.11356	0.4
196.14532	0.8
197.08058	0.4
197.12952	0.9
200.10730	1.4
201.06691	0.7
202.12315	0.6
214.15570	4.3
216.07671	0.3
217.13417	1.2
222.12505	0.5
227.11877	3.0
228.10281	2.9
240.07730	1.0
240.13390	0.7
244.14485	0.7
245.12923	4.0
248.10678	0.7
262.15546	3.4
263.16217	0.3
269.16138	1.0
276.10266	0.7
283.18036	0.4
293.13184	0.3
299.17737	0.7
309.20612	0.3
310.15601	0.3
326.18710	6.2
326.22620	0.3
327.19022	0.4
335.67664	0.3
339.14276	0.4
340.15369	0.3
344.19662	2.3
345.94366	0.2
473.25571	0.4
491.26602	100.0
492.26920	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	491.1559
Annotation	Unknow
Peak:m/z	Relative Intensity
50.73448	0.3
54.60756	0.4
59.01379	100.0
60.01718	0.8
60.99311	1.1
61.98843	0.4
69.60916	1.2
69.61318	1.3
70.36668	0.3
71.01382	1.4
73.02981	0.6
85.02966	0.7
85.32693	0.3
87.00866	0.4
88.98809	7.2
89.02460	0.5
93.03471	1.0
96.96027	0.6
101.02459	1.0
102.52169	0.4
105.34946	0.5
109.02906	0.7
113.02484	0.5
120.06372	0.4
121.02959	56.6
122.03284	0.8
133.03003	0.6
135.04538	1.3
137.02441	0.8
143.03339	0.4
145.72987	0.4
150.06918	0.4
151.87312	0.3
161.02452	0.9
175.88162	0.4
176.79642	0.4
177.01964	0.5
179.03616	0.9
191.05600	1.1
221.78506	0.4
227.07109	1.1
271.02579	1.0
325.09402	2.0
334.07047	0.5
394.06900	1.0
431.26251	0.6
449.27090	0.6
490.32690	0.5
491.13470	1.6
491.21127	0.7
491.28473	5.4
491.34579	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.1767
Annotation	Unknow
Peak:m/z	Relative Intensity
52.60735	0.9
56.37235	0.8
56.81096	0.7
59.01375	6.8
60.99303	17.2
68.67725	0.8
69.03444	1.4
69.39949	6.5
71.01382	1.2
85.02948	1.0
88.98802	100.0
96.95997	3.4
98.20590	1.1
99.64880	0.9
107.01390	1.8
108.02158	2.4
113.18294	0.9
121.02936	1.4
121.39060	0.9
125.02454	1.8
133.02994	1.1
135.00853	2.9
135.04498	1.2
152.01134	5.5
191.05644	1.6
231.06937	12.5
231.57089	2.1
243.02818	1.0
243.06633	8.8
334.06882	1.0
365.17749	1.2
491.28314	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	491.1403
Annotation	Unknow
Peak:m/z	Relative Intensity
53.67992	0.5
57.03433	0.8
59.01380	3.5
61.49416	0.5
68.99785	0.7
69.03459	1.2
71.01377	2.3
71.61568	0.6
73.02933	0.7
81.03442	5.6
83.01370	7.0
84.23215	0.5
85.02946	1.8
89.02443	1.0
93.03450	1.9
95.01379	1.3
95.05032	4.1
97.02922	2.6
99.00858	0.5
99.04516	2.1
101.11000	0.6
105.74578	0.6
107.01380	0.7
107.05032	1.3
108.02209	0.7
109.02928	1.6
109.06586	1.0
111.00880	0.7
111.04488	1.5
113.02434	1.8
119.05032	1.4
121.02910	2.9
121.06595	1.0
122.03703	0.7
122.41048	0.5
123.04522	13.2
125.02436	7.3
135.04500	3.9
137.02417	2.8
137.06091	6.9
139.03999	5.6
141.05605	1.1
147.04492	1.4
149.02367	1.4
149.06091	1.3
151.03972	2.5
153.05534	1.2
161.06041	1.3
163.04010	3.3
164.04744	1.2
165.01933	2.4
165.05544	4.0
167.03484	23.2
173.04568	0.6
175.03966	0.7
177.01976	0.5
177.05553	1.8
179.03456	6.2
179.07130	0.9
180.04185	1.3
181.05042	2.5
189.05498	1.7
191.03633	1.2
191.05571	1.9
192.04340	0.6
193.05019	5.0
194.05698	0.6
197.04550	3.4
205.01474	0.8
205.05099	0.9
207.06609	1.4
209.04532	40.2
210.04886	1.4
219.02994	1.0
219.06577	0.6
221.04536	9.3
223.06061	1.0
233.04576	0.9
235.06064	2.2
238.95276	0.5
239.03333	1.0
239.05595	14.0
247.06503	0.6
248.03163	0.7
249.04016	0.7
251.05580	100.0
252.05920	5.3
263.05640	4.0
269.06613	1.4
275.05560	0.6
281.06644	65.0
282.07114	2.8
293.06653	4.6
307.83572	0.5
311.07700	18.2
312.08249	0.8
323.07690	1.1
335.07986	0.9
353.08783	6.9
362.19699	0.7
365.08630	0.6
371.09808	20.1
372.10156	1.4
383.09915	4.7
401.10837	3.1
473.12845	1.3
491.14017	13.2
492.14328	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.1401
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	3.0
60.99305	13.1
61.98796	0.8
68.52091	0.7
69.68603	2.6
71.01381	1.4
73.02944	0.6
79.95741	0.6
85.02983	0.8
87.00893	0.8
88.00427	0.6
88.98804	100.0
89.02437	8.3
89.87733	0.6
93.03485	0.9
96.96011	5.2
101.02434	0.7
125.02432	0.8
135.04527	2.9
161.02396	1.3
170.38438	0.7
173.04544	1.0
185.76218	0.6
191.05647	5.2
192.05991	0.6
199.24153	0.6
206.40053	0.6
247.06386	4.5
247.56638	1.1
299.05643	1.3
318.75934	0.7
401.15033	0.9
491.23914	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	491.1402
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	2.8
64.76971	0.7
67.01871	0.7
68.50910	0.6
69.55713	1.2
69.56124	3.6
71.01353	0.8
75.22042	0.5
77.07640	0.6
80.08071	0.6
81.03457	6.1
83.01376	4.8
85.02936	3.2
93.03459	2.0
95.05023	7.2
96.96019	1.5
97.02941	1.7
99.04516	2.4
101.02495	0.8
107.01326	0.7
108.02142	2.0
109.02946	1.0
112.23691	0.6
121.02982	1.5
122.03751	1.0
122.74712	0.7
123.04525	9.7
125.02443	14.0
135.04541	2.0
136.01627	1.0
137.02441	2.8
137.06079	10.5
139.03990	2.9
141.05643	0.8
147.04483	0.8
149.02415	1.7
151.03931	1.6
152.01112	1.2
163.03970	1.9
165.01889	1.4
165.05605	3.7
167.03484	29.6
167.04910	1.5
168.03871	0.6
173.04625	0.7
174.81200	0.6
177.05524	1.0
179.03456	3.6
180.04277	2.6
181.05042	1.5
189.01965	0.9
191.03517	8.2
191.05595	38.3
192.05916	2.6
193.05003	1.6
205.05089	3.6
207.02997	1.8
208.03856	0.9
209.04530	100.0
210.04875	3.9
221.04495	2.4
223.06065	0.7
227.17383	0.7
233.04549	18.3
239.05598	2.9
251.05589	5.4
263.05569	2.1
267.36136	0.7
281.06580	5.2
299.07712	3.1
307.16467	0.6
311.07684	3.0
329.08688	1.4
348.27338	0.7
353.08731	3.6
371.09784	86.0
372.10165	4.2
401.10934	2.2
491.13913	8.3
491.27243	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.1196
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01098	0.6
59.01377	8.1
61.98814	0.8
63.85044	0.5
71.01372	3.0
71.62445	0.8
79.76111	0.5
81.03467	1.3
85.02979	2.7
88.98761	0.7
93.03442	1.8
95.01392	0.7
96.95986	0.9
97.02939	0.7
101.02402	1.2
108.02169	41.0
109.02955	42.1
110.03297	0.9
113.02425	0.8
117.03468	0.9
119.04990	0.6
121.02924	1.5
123.00874	1.1
123.04504	1.8
125.02412	1.0
132.02153	4.7
133.02963	4.6
134.03726	6.7
135.00853	1.3
135.04530	7.6
136.04840	0.6
137.02437	1.5
149.06044	1.2
151.04045	1.2
152.01144	52.1
153.01938	38.7
154.02219	0.9
160.01654	20.2
161.02446	17.5
162.02763	1.6
163.04005	1.5
163.07379	0.5
165.01956	0.9
165.91254	0.5
167.03464	1.2
173.04539	2.8
175.04008	19.7
176.04367	0.6
178.02762	0.7
179.03497	6.5
191.05617	7.7
192.05920	0.7
193.05035	3.8
211.74110	0.6
227.40855	0.6
243.06494	1.6
267.18588	0.5
291.82953	0.6
297.06427	0.7
311.09326	0.8
315.07199	21.9
316.07639	0.7
323.07596	2.9
337.09210	1.2
339.12030	0.6
435.01617	0.6
447.12500	1.2
448.18195	0.6
459.09204	0.7
464.46417	0.6
491.11877	100.0
492.12161	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	491.1196
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	0.9
59.01379	8.0
59.14002	0.3
61.98838	0.3
67.01882	0.7
68.99840	0.5
69.03453	0.7
71.01374	2.2
71.62431	0.6
73.02959	0.7
78.61863	0.4
79.05555	0.4
79.95747	0.9
80.02633	0.6
81.03448	8.0
83.01387	5.2
85.02941	1.9
87.00869	0.7
89.02428	0.9
93.03465	2.0
94.03742	0.4
95.01391	0.8
95.05023	10.9
96.96006	8.6
97.02948	3.5
98.95569	0.7
99.04532	4.0
101.02457	1.4
101.17149	0.4
107.05011	0.8
108.02149	1.0
109.02959	1.4
111.04530	1.3
113.02441	1.1
119.03423	0.4
121.02942	1.6
122.03726	1.7
123.00874	0.4
123.04522	17.1
124.04866	0.4
125.01509	0.8
125.02437	16.3
133.02946	1.2
134.03770	0.7
135.04517	7.6
136.04860	0.4
137.02441	2.8
137.06076	12.6
139.04036	3.2
141.05571	0.9
147.04433	0.6
149.02371	0.8
149.06064	1.6
151.04015	1.0
153.05603	0.8
155.03494	1.5
160.01697	0.5
161.02409	4.6
161.04564	0.4
162.02722	0.3
163.00375	0.4
163.04015	0.5
165.01913	0.8
165.05551	3.3
167.03484	48.3
167.10751	1.0
168.03801	1.3
172.15741	0.3
173.04539	2.6
175.03984	0.4
177.05531	1.9
179.03484	13.9
180.04050	0.8
181.05067	2.7
191.03801	0.4
191.05603	7.0
192.05949	0.5
192.99567	0.7
193.04980	1.7
197.04486	2.3
206.02199	0.7
207.02957	0.5
209.04530	100.0
210.04837	3.3
219.02884	0.4
221.04521	4.3
231.06940	10.9
231.57121	2.1
232.06889	0.7
233.04463	0.9
233.06647	0.7
239.05559	42.2
239.56882	0.8
240.06136	1.3
251.05557	2.6
261.04169	0.6
275.09222	0.5
281.06635	7.5
282.06699	0.5
287.09030	0.4
293.06677	1.6
311.07703	1.3
319.02817	0.6
329.08707	1.3
337.09308	0.5
365.17896	4.5
366.18088	1.8
381.08261	0.4
383.19122	0.6
461.12427	0.4
473.11014	0.5
491.11743	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.1191
Annotation	Burkinabin B
Peak:m/z	Relative Intensity
59.01380	5.4
67.98575	0.4
69.28562	4.1
70.87700	0.5
71.01386	3.4
73.02941	1.2
75.00884	0.9
82.69699	0.4
85.02952	2.6
87.00858	0.6
89.02431	0.8
93.03450	1.7
96.95995	1.6
97.02954	0.5
98.20636	1.1
100.62386	0.4
101.02442	1.9
108.02160	1.8
109.02930	1.5
113.02446	1.7
117.03443	1.6
120.88335	0.5
121.02927	1.2
122.03720	6.7
123.04531	7.6
125.02369	0.6
132.02165	1.5
133.02943	37.0
134.03731	1.0
135.04518	13.4
137.02435	1.8
149.02403	1.6
160.01573	0.5
161.02428	100.0
162.02762	3.2
173.04510	2.0
177.05585	1.4
179.03482	7.2
191.05562	3.2
201.05573	0.6
203.03461	0.6
211.62589	0.5
221.04568	1.6
243.06564	4.1
323.07654	5.2
329.08743	2.8
411.35114	0.5
447.12915	38.1
448.13095	2.4
473.10785	8.9
474.11029	0.7
491.11902	37.9
492.12283	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	490.257
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03418	0.3
59.01097	0.4
59.01377	6.5
61.61690	0.3
61.98824	0.8
62.96427	0.3
67.32571	0.3
70.71836	0.6
71.01377	1.5
73.02936	1.0
78.95898	100.0
81.29188	0.3
83.01396	0.5
83.05025	0.3
84.41871	0.3
85.02935	0.5
89.02437	1.1
93.03422	0.3
96.96957	7.8
101.02427	1.1
112.07603	0.3
113.02457	1.0
114.78960	0.2
119.03517	0.4
139.71198	0.3
140.01189	0.6
152.99576	16.3
153.19482	0.3
171.00629	18.8
179.05602	0.5
191.05598	0.6
197.52112	0.3
213.64297	0.3
214.04807	0.7
221.72780	0.3
233.58107	0.3
239.60104	0.3
249.28955	0.3
293.21170	0.7
327.59058	0.3
350.10916	0.3
416.22150	2.1
449.25375	1.3
488.31940	0.3
490.25729	67.6
491.25748	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	490.1346
Annotation	Unknow
Peak:m/z	Relative Intensity
55.25874	0.2
56.78636	0.2
59.01367	0.8
69.76608	1.2
71.01379	2.1
72.99277	0.4
73.22027	0.3
74.20398	0.2
85.02944	4.7
87.00848	1.4
93.03431	2.3
108.02172	0.3
108.93183	0.3
109.02922	0.4
111.04517	0.8
115.00365	0.5
116.00716	0.3
127.03992	1.4
133.02943	0.4
135.01814	0.2
135.04517	4.1
136.04874	0.3
147.02969	1.8
148.03336	1.1
152.01042	0.4
153.02026	0.3
161.02444	1.8
173.04512	2.5
179.03484	4.0
184.87276	0.3
191.05592	100.0
192.05930	2.6
234.73289	0.3
259.42789	0.3
299.07761	0.6
342.11249	0.4
345.03662	0.3
353.08734	16.6
354.09055	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.2339
Annotation	Unknow
Peak:m/z	Relative Intensity
58.03271	0.3
59.01374	100.0
60.01711	0.8
61.98828	0.7
65.15520	0.3
70.59245	0.3
71.01373	2.6
71.62629	0.5
73.02947	1.3
83.01403	0.6
85.02950	1.4
87.00880	0.5
89.02451	1.4
89.55672	0.3
93.03445	0.4
96.95966	0.3
101.02439	1.9
109.02975	0.4
113.02454	1.7
113.95258	0.3
119.03561	0.4
125.02469	0.6
133.03043	0.3
135.04498	0.7
137.02400	0.6
161.02443	1.4
161.04556	1.0
161.15398	0.3
173.04582	0.9
179.03502	0.7
191.05576	2.5
225.11259	0.5
252.12421	0.3
254.16676	0.3
273.18829	0.4
281.08701	0.4
353.08649	0.4
369.19202	1.2
387.20224	1.1
429.20935	0.6
489.19647	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.3218
Annotation	Homaline
Peak:m/z	Relative Intensity
59.01368	0.6
62.47953	0.3
71.01398	0.4
87.04504	0.8
87.11211	0.4
97.02938	1.1
125.66785	0.4
135.04527	0.5
157.00803	0.4
191.05569	1.1
349.28934	0.5
363.27078	0.7
365.28381	0.6
377.24234	0.5
377.28665	1.1
379.26242	0.4
379.30093	2.9
381.28040	0.7
389.28009	0.4
391.26385	1.1
393.27966	4.6
395.29544	1.4
407.29514	16.5
408.29941	1.1
411.29184	1.8
419.26498	0.4
425.30573	0.4
427.32147	5.0
428.32581	0.8
437.26797	1.5
443.31696	4.4
451.28510	0.6
454.44189	0.4
459.31018	4.8
470.76389	0.4
471.31039	3.9
489.32172	100.0
490.32465	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	489.2339
Annotation	Unknow
Peak:m/z	Relative Intensity
58.03271	0.3
59.01374	100.0
60.01711	0.8
61.98828	0.7
65.15520	0.3
70.59245	0.3
71.01373	2.6
71.62629	0.5
73.02947	1.3
83.01403	0.6
85.02950	1.4
87.00880	0.5
89.02451	1.4
89.55672	0.3
93.03445	0.4
96.95966	0.3
101.02439	1.9
109.02975	0.4
113.02454	1.7
113.95258	0.3
119.03561	0.4
125.02469	0.6
133.03043	0.3
135.04498	0.7
137.02400	0.6
161.02443	1.4
161.04556	1.0
161.15398	0.3
173.04582	0.9
179.03502	0.7
191.05576	2.5
225.11259	0.5
252.12421	0.3
254.16676	0.3
273.18829	0.4
281.08701	0.4
353.08649	0.4
369.19202	1.2
387.20224	1.1
429.20935	0.6
489.19647	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.2339
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	1.1
59.01377	100.0
67.11346	1.1
69.76050	6.5
71.01382	24.9
71.87716	1.1
72.99287	1.8
73.02964	6.5
79.95719	1.0
83.01364	2.0
85.02957	9.4
87.00874	20.4
88.04019	4.4
88.98787	4.5
89.02445	17.5
93.03452	5.0
95.01368	2.3
96.95999	7.0
98.95517	1.4
99.00910	1.3
101.02459	13.2
109.02931	7.2
109.06597	7.4
111.00867	2.5
113.02444	9.4
119.03519	7.7
119.75964	1.0
123.04476	1.8
125.02432	2.9
126.02667	1.3
129.01906	2.2
129.05547	2.0
131.03473	1.0
133.02907	4.0
135.04514	11.0
137.02406	3.7
137.09758	1.0
143.03453	2.1
145.02979	1.0
148.01714	1.0
149.52440	1.0
150.03120	1.1
151.04022	1.4
153.01932	8.7
155.03416	1.3
159.03008	2.4
161.02466	11.6
161.04538	6.3
161.09671	1.7
163.11261	1.9
173.04543	11.4
176.01131	9.0
177.01839	2.6
178.92201	1.2
179.03481	6.0
179.05699	5.2
179.10753	1.9
186.14696	1.1
189.01945	2.8
190.02695	1.1
191.03496	6.5
191.05585	33.1
191.10738	13.6
192.05966	2.0
209.11748	6.2
210.00021	1.1
217.01405	1.9
219.13704	1.1
225.14929	1.4
231.13899	1.6
239.06796	1.7
239.56885	1.5
245.00813	2.0
248.07207	1.2
249.14896	1.1
257.05521	3.1
267.15948	3.8
279.10785	2.4
297.06210	12.7
301.03467	1.3
339.18100	5.3
341.06647	2.9
353.08688	5.0
369.06204	1.3
369.19107	6.1
383.17416	1.4
387.20105	5.5
411.20462	1.5
417.19257	2.3
418.36707	1.2
429.21234	32.5
430.21548	1.6
451.10117	4.4
489.09738	6.5
489.26059	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.1459
Annotation	Unknow
Peak:m/z	Relative Intensity
62.70260	0.4
71.01376	31.1
102.05640	1.6
103.03998	4.1
103.05943	0.7
115.00366	87.0
116.00742	1.1
128.03535	1.4
129.03917	0.6
137.67143	0.5
145.06128	1.0
146.04596	4.8
147.02989	100.0
147.04918	2.4
148.03319	1.6
191.05591	5.6
255.05165	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.161
Annotation	Unknow
Peak:m/z	Relative Intensity
51.04682	0.3
59.01375	4.1
61.79714	0.3
71.01379	3.9
73.02937	0.5
73.40063	0.4
75.00854	0.5
79.56909	0.3
81.03465	0.4
85.02953	0.6
87.00857	0.3
89.02449	5.3
89.56291	0.3
93.03454	5.9
95.01361	0.4
96.96035	0.4
97.02969	0.8
97.09103	0.4
99.00864	1.0
101.02444	1.0
108.02191	1.4
109.02934	0.4
113.02426	0.5
115.04045	0.3
122.28060	0.3
125.02434	3.4
131.03476	1.2
135.04521	100.0
136.04871	3.1
149.04521	1.2
151.04007	0.6
157.89871	0.4
161.02419	0.6
173.04552	0.8
179.03534	0.7
180.82555	0.3
191.05597	4.7
195.06577	0.4
233.06610	3.2
289.07269	0.4
293.08755	18.1
294.09088	0.6
313.49835	0.3
327.09280	0.5
327.57306	0.4
353.08603	0.5
489.12277	1.2
497.52234	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.3423
Annotation	Asiatic acid
Peak:m/z	Relative Intensity
54.53817	0.2
81.07092	0.4
82.74896	0.2
98.19888	0.8
123.08154	0.9
135.08095	0.2
166.66968	0.2
209.46970	0.3
229.45628	0.3
271.36417	0.2
276.14362	0.2
307.66385	0.3
325.79684	0.2
375.26892	2.7
391.30011	6.9
392.30453	0.6
407.33182	10.5
408.33423	1.0
409.31189	1.1
421.31033	0.6
425.34219	0.7
443.29099	0.4
443.35242	8.3
444.35315	0.8
451.32260	1.1
469.33160	1.0
487.34238	100.0
488.34592	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	489.1244
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27763	0.7
53.95726	0.7
55.01867	1.2
56.84523	0.7
58.90192	0.7
59.01377	11.3
69.03450	4.7
71.01383	11.1
71.61868	0.9
73.02944	4.5
73.04171	0.8
75.00869	52.5
75.75210	0.7
83.01369	0.8
85.02930	2.8
87.00880	8.0
87.04514	0.9
89.02437	14.5
91.46450	0.7
93.03437	1.8
95.01391	0.9
96.95992	2.3
97.02933	11.2
99.00875	14.0
100.05138	0.8
101.02437	2.9
107.05025	0.9
109.02943	1.7
111.04566	0.9
113.02451	1.6
115.03990	1.0
121.73107	0.6
123.00893	0.9
125.02470	0.9
129.01913	1.5
131.03508	1.9
133.02957	8.4
134.03717	2.5
135.04515	45.0
136.04784	1.0
137.02390	2.1
141.01924	11.7
149.04509	1.2
149.05833	0.7
161.02428	30.8
161.04449	1.2
161.78798	0.6
162.02730	1.2
163.03999	0.9
173.04518	3.2
177.04056	1.4
179.03477	34.5
180.03847	1.5
191.05582	15.9
191.07314	0.9
192.05968	4.7
195.05075	0.9
200.78246	0.8
207.06587	0.8
217.71715	0.7
247.06523	0.7
248.07004	0.8
251.05525	3.7
259.18265	0.6
289.07111	1.4
291.07169	9.5
297.03790	0.7
309.08179	4.0
311.07925	3.6
327.09293	66.1
328.09698	2.1
353.08685	6.4
361.30762	0.7
413.10760	1.7
453.10260	3.2
462.67685	0.7
471.11365	9.9
489.12384	100.0
490.12726	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	487.3424
Annotation	Unknow
Peak:m/z	Relative Intensity
52.11283	0.2
65.99970	0.2
71.60709	0.3
95.97149	0.2
165.07469	0.2
253.71997	0.2
276.65262	0.2
286.92023	0.2
341.68311	0.2
391.30084	1.0
487.34229	100.0
488.34555	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	487.3423
Annotation	Asiatic acid
Peak:m/z	Relative Intensity
57.03443	0.3
58.09017	0.2
58.15661	0.2
59.01342	0.2
60.99298	0.3
69.03446	0.2
70.09163	0.8
71.05000	0.4
72.09985	0.2
72.62846	0.2
73.02937	0.5
78.17270	0.2
80.12234	0.2
81.07098	0.3
83.05008	0.4
123.08197	0.8
135.08173	0.2
309.22168	0.5
323.23743	0.8
325.25351	0.8
337.25226	0.5
339.26926	2.9
340.27335	0.3
341.28442	0.7
351.26749	0.2
353.24518	0.2
353.28531	0.3
358.36063	0.2
375.26813	0.7
383.25922	0.3
391.30002	3.5
392.30441	0.4
393.27951	1.4
407.33176	8.5
408.33521	1.1
409.31033	2.4
410.31384	0.4
423.32825	0.5
425.34161	5.0
426.34555	0.5
443.35303	8.7
444.35690	0.9
451.32095	0.8
469.33063	1.7
487.34232	100.0
488.34592	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	487.3423
Annotation	Asiatic acid
Peak:m/z	Relative Intensity
68.48365	0.3
69.66121	1.7
71.04998	0.8
85.58085	0.3
86.73428	0.3
98.20670	0.5
137.09715	0.6
148.95200	0.3
167.10741	0.5
218.94968	0.4
223.16934	0.4
241.93039	0.3
243.46465	0.3
248.46039	0.3
275.23813	0.5
282.90698	0.3
287.04865	0.3
421.30823	0.4
423.32727	0.6
427.32031	1.1
443.34927	0.7
457.32999	0.6
469.33136	12.7
470.33533	0.7
487.34225	100.0
488.34561	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	487.3424
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01340	0.1
70.93790	0.1
70.94133	0.2
85.02950	0.1
133.52211	0.1
163.14877	0.1
166.91025	0.1
190.09668	0.1
266.94177	0.1
421.31192	0.2
469.32974	0.1
487.34232	100.0
488.34579	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	487.3424
Annotation	Unknow
Peak:m/z	Relative Intensity
52.27524	0.2
53.21313	0.2
71.61769	0.3
99.86347	0.2
116.59732	0.3
150.62263	0.2
158.68764	0.2
257.73276	0.2
266.59900	0.2
391.30093	0.4
487.34225	100.0
488.34576	9.4
488.41696	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.3425
Annotation	Asiatic acid
Peak:m/z	Relative Intensity
56.18609	0.3
61.38565	0.3
69.86755	1.5
71.05021	0.7
85.02934	0.3
158.63077	0.3
218.37038	0.4
230.62611	0.3
351.43628	0.3
377.28564	0.5
391.30161	0.8
393.31555	3.5
405.31674	2.8
415.11627	0.3
423.32809	0.5
427.32141	1.1
435.29269	0.5
437.30539	4.0
441.33798	0.7
443.35590	0.5
457.33167	1.1
469.33365	10.1
470.33600	1.1
487.34247	100.0
488.34561	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	487.3427
Annotation	Unknow
Peak:m/z	Relative Intensity
57.40025	0.5
59.01375	0.9
59.60516	0.6
60.99296	1.1
61.98817	0.8
65.08678	0.7
67.75757	0.7
69.37262	4.4
82.29973	0.6
82.72848	0.6
91.44669	0.5
96.96009	0.8
97.06577	3.5
98.20553	1.5
157.95601	0.7
191.14366	1.8
252.93591	0.6
389.28479	2.0
391.30145	3.2
405.31659	4.8
407.33304	9.2
408.33624	0.8
409.31198	1.1
423.32822	1.4
425.34525	0.7
437.30624	1.4
439.31885	1.5
441.27908	1.2
441.33701	17.5
442.33755	1.6
449.30527	1.4
451.32211	17.1
452.32397	1.6
453.33701	100.0
454.34006	10.9
467.31598	2.1
469.33109	3.5
470.33551	0.7
471.34900	1.1
487.34293	25.6
488.34586	3.9
497.32672	2.9
513.32098	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	487.3426
Annotation	Rubiyunnanol C
Peak:m/z	Relative Intensity
58.26580	0.5
59.01266	0.8
59.01512	0.7
60.44742	0.6
60.46492	0.6
61.98730	0.7
69.37258	2.6
69.37684	2.2
97.06380	2.6
103.50549	0.6
111.82136	0.7
149.26425	0.6
179.97661	0.6
191.14163	0.8
245.64478	0.7
290.95880	0.6
389.28467	1.6
391.29913	2.0
393.27802	0.9
405.31662	4.2
407.33279	12.5
408.33435	1.3
409.31143	1.3
423.32602	2.2
425.34256	0.9
437.30472	0.9
439.32327	1.4
441.33685	15.1
442.34027	1.3
449.30649	2.5
451.32108	17.9
451.37973	1.2
452.32452	2.1
453.33685	100.0
454.34055	9.3
467.31555	3.0
469.33435	3.4
471.34604	1.0
485.32928	2.0
487.34238	28.2
488.34485	2.1
497.32822	2.0
513.32404	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.3423
Annotation	Asiatic acid
Peak:m/z	Relative Intensity
50.64825	0.1
52.58308	0.1
57.03448	0.2
58.00594	0.1
59.01377	1.7
61.98828	0.4
65.93465	0.1
71.01374	0.4
71.05016	1.2
71.62398	0.1
71.62817	0.1
73.02922	0.2
78.95894	0.2
83.01398	0.1
83.05050	0.3
85.02950	0.3
87.00864	0.2
93.03453	0.2
95.01422	0.2
96.95996	0.4
101.02428	0.3
109.80904	0.1
113.02473	0.2
132.93243	0.1
135.04506	0.3
137.02495	0.1
161.02332	0.2
173.04529	0.6
179.03481	0.2
187.02721	0.1
191.05611	0.4
197.21442	0.1
208.11253	0.1
218.36359	0.1
270.53421	0.1
339.26654	0.2
352.07944	0.2
367.11859	0.2
369.28116	0.2
377.28351	0.2
391.30081	0.3
393.31824	0.7
403.29974	0.2
405.31628	1.0
407.29660	0.1
421.31152	0.4
423.32532	0.5
427.32178	1.5
428.32269	0.2
432.69455	0.1
435.28876	0.4
437.30591	1.9
443.35458	0.9
451.32190	0.2
455.31476	0.2
457.33331	0.2
467.31570	1.0
468.31796	0.2
469.33304	13.7
470.33734	1.5
487.34235	100.0
488.34583	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	487.3426
Annotation	Unknow
Peak:m/z	Relative Intensity
54.18493	0.7
59.01372	0.8
61.98819	0.8
68.56712	0.5
70.54387	0.5
71.05016	1.6
71.62402	0.9
83.05023	0.7
84.78433	0.6
85.02943	4.8
96.95995	1.0
99.08253	0.6
129.01894	0.6
135.02946	0.7
135.04501	1.9
154.91924	0.7
191.01947	2.3
264.72266	0.7
309.20535	1.2
363.86307	0.7
412.72327	0.6
416.00104	0.7
427.32175	1.3
437.30499	0.7
443.35275	1.2
454.60083	0.7
457.33417	4.7
467.31534	1.8
469.33173	12.3
470.33472	1.4
487.34290	100.0
488.34555	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	487.3053
Annotation	CHEBI:70313
Peak:m/z	Relative Intensity
58.80246	0.7
69.33298	3.8
69.33721	2.6
72.36996	0.6
72.40909	0.6
80.32945	0.7
96.52385	0.7
100.86663	0.8
109.02953	0.7
123.04526	1.0
161.02386	0.7
173.04482	0.8
189.01868	2.1
191.05630	0.7
217.01346	1.6
229.20880	0.8
231.02969	0.8
341.06622	4.0
367.38882	0.7
451.10425	3.7
451.33026	1.5
487.30536	100.0
488.30795	9.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.3064
Annotation	Camphoratin A
Peak:m/z	Relative Intensity
59.01379	1.8
61.98812	0.7
69.28740	0.9
69.29150	1.9
71.01363	0.5
71.05001	0.3
71.67960	0.3
81.03399	0.3
83.05019	4.6
92.63793	0.3
96.95996	0.8
97.02958	0.4
99.65939	0.3
109.06566	0.4
115.92317	0.3
117.92331	0.3
124.37531	0.3
127.54842	0.3
171.10283	0.7
191.05511	0.4
199.09772	0.3
207.10234	0.7
211.13326	0.3
215.07242	0.3
225.11272	0.8
311.23712	0.6
325.21616	1.3
327.23129	0.4
339.23260	2.2
359.25836	1.4
361.25821	0.4
375.26712	0.5
377.28357	1.4
379.26276	0.4
389.24811	0.8
391.26413	0.6
403.26083	0.5
405.27951	5.9
406.28259	0.6
409.27338	0.7
415.28290	1.8
416.02664	0.3
421.27496	0.9
423.29083	0.3
427.28482	0.4
435.25381	1.8
437.27023	0.4
439.29068	0.4
443.31433	1.5
449.26733	0.8
457.29153	1.4
465.26303	0.3
469.29565	21.0
470.30011	2.3
487.30573	100.0
488.30933	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	487.1946
Annotation	Unknow
Peak:m/z	Relative Intensity
51.21115	0.6
59.01380	9.0
61.98813	1.2
71.01382	2.7
71.62241	0.8
73.02945	2.1
78.95899	26.0
78.96368	1.3
79.95737	0.9
80.02674	1.9
81.03445	1.8
83.01384	0.6
83.05022	7.9
84.02156	1.3
85.02940	2.4
89.02418	1.5
93.03459	2.6
95.05045	1.0
96.96006	5.3
96.96957	2.6
99.00878	1.0
101.02451	1.5
103.04023	1.3
109.02944	2.7
111.04550	0.6
121.02909	0.9
124.69891	0.7
125.02442	1.2
125.06068	1.1
133.02963	0.8
134.03719	1.0
134.99821	0.7
135.04507	1.6
135.08189	1.2
137.02429	1.3
151.04034	1.9
152.99580	36.6
158.52159	0.6
161.02417	1.9
161.04594	1.0
163.04005	0.9
163.11293	5.6
165.12872	5.2
171.00650	3.2
173.04523	3.2
174.04839	0.7
175.03926	1.0
177.01933	2.4
179.03485	1.5
187.07646	0.8
189.01863	1.0
191.05600	9.0
191.07123	0.9
191.10764	2.0
192.05954	1.2
205.12376	1.5
207.06575	1.1
209.11818	100.0
210.12190	4.4
217.01540	0.8
227.03247	2.9
227.12866	12.5
239.06740	2.7
239.56906	0.9
245.04185	1.1
281.04321	0.7
299.05420	0.7
311.11655	0.8
341.06522	4.3
395.14560	0.7
451.10052	1.6
455.16821	16.9
456.16876	1.1
463.57629	0.7
469.16098	2.4
487.11929	3.1
487.19461	83.1
488.12772	0.9
488.19781	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	487.1816
Annotation	Unknow
Peak:m/z	Relative Intensity
51.65249	0.2
57.03442	0.4
59.01374	100.0
60.01717	0.6
61.98826	0.9
67.01883	0.3
70.99163	0.5
70.99520	0.3
71.01379	1.6
73.02953	0.9
83.05011	0.4
85.02941	1.2
85.06580	0.4
87.00883	0.9
93.03447	2.0
96.96004	1.7
97.02979	0.3
99.00848	0.3
101.02447	0.6
108.02190	0.9
109.02940	3.8
111.04526	0.7
113.02444	1.0
119.05019	0.4
121.02971	0.5
123.00880	0.4
123.04598	0.4
125.02435	0.6
127.04005	0.5
133.02951	0.8
135.04507	1.2
137.02437	0.6
145.03014	0.2
147.04536	1.3
152.01170	1.0
153.01900	2.8
155.03526	0.6
159.04462	0.4
159.08109	0.4
161.02461	1.9
161.04655	0.4
161.06055	0.4
163.03999	2.1
167.03534	0.3
172.05350	0.8
173.04575	3.2
173.06085	1.5
174.06839	0.5
175.05106	0.3
175.07599	0.5
179.03500	0.6
187.04068	0.8
187.07626	8.1
188.08076	0.7
191.03777	0.4
191.05579	9.1
192.05975	0.9
193.06137	0.4
201.05562	1.3
202.06340	4.2
203.05478	0.4
203.07133	0.3
203.10835	0.4
213.09225	0.6
215.07191	0.7
231.06715	0.4
231.10199	7.0
232.10728	1.0
233.10838	0.5
239.06784	1.3
257.08224	0.5
275.09210	5.3
277.09964	0.3
315.07053	0.5
323.07693	0.4
325.09351	0.4
449.14444	4.5
449.20419	0.3
451.15500	0.5
469.16156	0.5
487.14615	4.0
487.22107	0.5
488.14972	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.1087
Annotation	Unknow
Peak:m/z	Relative Intensity
55.43063	0.5
71.01376	15.1
72.99299	3.9
76.97617	0.6
85.02927	0.7
87.00883	1.1
89.02440	2.1
93.03471	1.1
102.05608	1.6
115.00364	44.0
123.32864	0.6
128.03546	1.4
133.01418	100.0
134.01775	0.9
135.04523	1.0
145.06165	2.5
146.04582	4.3
173.04530	1.8
179.03461	1.1
191.05605	12.2
192.05951	0.8
351.07175	0.7
353.08728	2.6
377.87628	0.6
478.59381	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.1241
Annotation	Unknow
Peak:m/z	Relative Intensity
56.04912	0.4
59.01378	15.5
69.03453	0.5
70.93988	0.8
71.01386	4.6
73.02943	1.4
81.03460	0.4
83.01366	0.5
85.02953	1.3
87.00864	0.8
87.15299	0.4
89.02429	2.3
93.03456	3.7
96.95991	0.6
99.00858	0.5
101.02429	2.2
105.03426	0.8
107.05037	0.6
109.02953	1.6
111.04466	0.8
113.02421	1.1
117.03465	1.0
119.05021	66.1
120.05369	1.7
121.02959	0.6
125.02409	1.2
129.01762	0.5
131.03543	0.5
132.02173	1.9
133.02948	31.2
133.06561	1.2
134.03700	0.8
135.04517	20.8
136.04865	0.6
137.02426	7.3
143.73277	0.4
145.02988	0.4
145.53165	0.4
146.03670	0.4
149.04578	1.1
149.06047	1.4
155.03481	0.6
159.04503	1.2
161.02435	100.0
162.02794	2.7
163.03999	21.4
163.05392	0.9
164.04375	0.9
172.05295	1.1
173.04529	6.6
173.06039	3.0
174.03265	0.6
174.04768	0.5
174.06818	1.1
177.01828	0.5
177.05547	2.4
179.03491	16.3
187.04031	0.7
187.07635	13.9
188.04762	0.5
188.07968	0.8
191.03795	0.3
191.05588	9.7
192.05931	0.4
201.05524	1.4
202.06326	5.2
203.03462	1.1
203.07045	0.9
203.10773	0.8
213.09207	1.0
215.07030	0.7
220.03886	0.5
221.04488	3.4
229.08675	0.5
231.06570	1.0
231.10233	10.6
231.12430	0.8
232.10536	1.0
233.10878	0.9
251.05428	0.5
257.08197	0.6
263.05508	1.2
275.09250	7.7
276.09570	0.9
277.09869	0.5
280.06046	1.0
293.08707	2.0
323.07678	32.6
324.08099	1.2
329.51312	0.5
443.13443	3.9
449.14398	4.1
451.15152	0.7
478.77478	0.5
487.12408	65.7
488.12735	6.2
497.18213	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	486.2189
Annotation	Unknow
Peak:m/z	Relative Intensity
52.60389	0.2
59.01381	0.8
61.98828	100.0
69.60668	1.1
71.01392	0.6
75.55181	0.2
85.02984	0.2
93.03465	0.4
94.03780	0.2
96.96011	0.5
98.19862	0.3
191.05655	0.7
192.05945	0.2
222.37901	0.2
238.18275	0.2
267.07220	0.3
359.23325	0.2
361.57965	0.2
486.33456	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	486.2681
Annotation	Unknow
Peak:m/z	Relative Intensity
60.70889	0.4
60.76680	0.3
81.17989	0.4
88.04038	54.8
89.04390	0.5
110.29686	0.4
118.98800	0.4
147.08171	2.2
149.09705	1.2
161.09708	0.7
163.11273	2.9
184.17166	0.5
187.11285	2.1
202.93771	0.4
256.11313	0.5
256.23718	0.8
268.67923	0.4
279.13818	1.0
280.14587	1.5
307.16974	0.8
309.19086	0.4
309.22156	2.3
337.21704	100.0
338.22067	7.5
372.24844	0.4
486.26828	19.0
487.27051	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.109
Annotation	Unknow
Peak:m/z	Relative Intensity
58.22965	0.6
59.01383	0.6
70.12337	0.5
70.16020	1.7
71.01377	14.5
72.99301	2.3
79.39540	0.5
82.95414	0.7
85.02949	1.2
87.00867	1.4
89.02438	2.3
93.03461	1.1
96.95987	0.7
101.63400	0.5
102.05589	1.6
109.56383	0.5
115.00367	39.9
116.00693	0.8
116.55002	0.5
121.71227	0.5
126.14954	0.6
128.03554	1.2
132.02986	0.9
133.01422	100.0
134.01857	0.9
134.03720	0.6
135.04527	2.3
144.02975	0.8
145.03363	0.6
145.06161	3.0
146.04558	3.9
147.03001	0.7
151.02638	1.9
170.95186	0.5
173.04533	2.4
179.03494	1.6
191.05589	13.2
192.05983	0.9
216.11415	0.6
240.68558	0.5
283.06821	1.5
284.07159	2.5
351.07147	1.1
353.08792	2.8
375.06815	0.9
487.14050	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.3632
Annotation	Methyl 2alpha-hydroxyoleanolate
Peak:m/z	Relative Intensity
60.99298	1.0
69.62273	1.6
69.62688	2.5
71.05024	4.7
73.02953	1.3
75.62280	0.6
78.95904	1.3
81.78467	0.6
85.16930	0.7
89.81668	0.6
93.00866	0.6
96.96007	1.6
97.06567	5.8
98.20604	1.2
125.39077	0.6
137.09656	0.7
151.61940	0.6
152.99617	1.0
179.86443	0.7
255.23245	4.6
256.23682	3.7
257.23901	6.4
375.26910	0.8
385.31570	0.8
389.28329	2.8
391.30173	3.6
393.31561	1.1
405.31543	7.3
406.31808	0.7
407.28372	1.1
407.33200	10.9
408.33566	1.3
421.31400	0.7
437.30566	1.2
439.32211	2.2
441.33670	13.6
442.34219	1.0
451.32141	35.3
452.32513	3.4
453.33701	100.0
454.34067	9.4
471.34793	2.7
485.16791	0.8
485.32550	14.8
485.36554	10.7
486.36459	1.0
497.32629	11.3
498.32785	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	486.2192
Annotation	Unknow
Peak:m/z	Relative Intensity
52.69747	0.2
53.85004	0.2
59.01372	1.2
61.98827	100.0
64.69868	0.2
69.60879	0.7
69.61285	0.3
71.01384	0.8
75.00867	0.6
78.51604	0.2
85.02940	0.8
87.00895	0.4
89.02439	0.2
93.03448	0.6
96.96012	0.4
101.02445	0.2
108.53432	0.2
113.02434	1.1
116.65012	0.2
116.92827	0.2
128.03531	0.4
145.81956	0.2
148.43057	0.2
161.02489	0.3
163.14963	0.2
173.04482	0.3
186.16635	0.2
191.05621	0.5
237.14992	0.3
249.06148	0.5
267.07187	1.4
269.07944	0.2
272.46478	0.2
308.07562	0.2
345.30872	0.2
426.22986	0.2
487.21878	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	485.3269
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03536	0.2
55.01867	0.3
57.03422	0.7
59.01367	0.3
61.50215	0.2
69.74023	0.4
69.74430	1.1
78.97907	0.2
80.91673	0.6
83.04562	0.4
83.05019	5.9
85.02956	1.8
97.06559	0.3
98.49870	0.2
103.40369	0.3
146.93819	0.2
191.01964	0.9
203.95938	0.4
209.11887	0.3
221.15727	0.3
270.32751	0.3
323.23853	0.5
325.25308	2.3
337.25177	0.6
357.24384	0.8
375.26926	0.7
389.28491	0.9
391.29993	1.2
403.30032	3.0
404.30719	0.3
407.29700	0.4
413.30704	1.3
421.31409	0.5
423.28485	0.5
425.30789	0.4
435.28903	5.3
436.29584	0.6
441.33908	1.0
455.31592	1.9
467.31833	15.7
468.32120	2.1
473.32822	0.4
485.32681	100.0
486.25919	0.5
486.33026	10.5
511.30685	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.3269
Annotation	Acerinol
Peak:m/z	Relative Intensity
64.21795	0.2
70.98877	0.3
70.99216	0.3
83.05042	0.2
98.50555	0.2
99.75852	0.2
121.06596	0.2
143.37938	0.2
158.90790	0.2
162.34204	0.2
163.11243	0.6
189.12801	0.4
237.15112	0.3
330.26434	0.3
349.25333	0.4
351.26923	0.2
351.31802	0.2
365.28412	1.9
366.28842	0.3
367.30026	0.7
383.90347	0.2
391.29889	0.3
421.30759	0.2
467.31543	0.4
485.32687	100.0
486.33035	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	485.3267
Annotation	Iridotectoral A
Peak:m/z	Relative Intensity
61.98837	0.2
71.08871	0.5
77.67431	0.2
191.05507	0.3
271.57156	0.2
389.26736	0.2
391.29941	2.9
392.30795	0.3
436.31799	0.5
437.30566	34.8
438.30807	3.2
455.31641	9.5
455.41074	0.3
456.31979	0.7
467.31631	19.5
468.31931	2.0
485.32684	100.0
486.33032	10.7
504.33774	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.3282
Annotation	Iridotectoral A
Peak:m/z	Relative Intensity
57.03429	0.8
59.04241	0.3
60.60467	0.2
62.31699	0.2
81.68858	0.2
83.05031	3.4
85.02892	0.3
97.56705	0.2
110.15841	0.3
121.06586	0.3
123.08134	1.3
135.08150	0.5
152.99550	0.6
255.23293	1.8
256.23636	1.9
257.23911	2.1
277.14310	0.3
309.22070	0.3
373.25342	0.7
389.28482	1.8
391.26398	2.2
392.26929	0.4
407.29492	17.9
408.29767	1.5
423.32651	31.2
424.32971	3.2
441.33688	10.1
442.34094	1.0
467.31470	4.7
468.32010	0.7
485.32706	100.0
486.33002	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	485.3267
Annotation	Unknow
Peak:m/z	Relative Intensity
53.82673	0.3
57.03435	0.4
59.01368	1.0
61.98830	0.9
70.93816	0.9
83.93441	0.3
85.02944	0.3
87.00869	0.6
93.03433	0.3
100.30034	0.3
111.00877	8.1
130.04050	0.3
158.70299	0.4
164.83583	0.8
169.79860	0.3
173.00919	0.7
239.18649	0.3
288.43152	0.4
423.32788	1.4
485.32703	100.0
486.33072	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	485.2387
Annotation	Unknow
Peak:m/z	Relative Intensity
52.20116	0.3
57.03441	2.1
59.01368	3.1
61.98825	1.0
67.01887	2.8
72.36686	0.3
75.00887	0.6
75.87361	0.3
80.52714	0.4
83.05019	0.4
84.92757	0.3
85.02946	2.0
87.00873	7.1
93.03429	0.4
98.20641	0.7
111.00874	100.0
112.01203	1.2
113.87482	0.3
129.01877	0.5
173.00909	8.1
191.01906	0.7
191.05672	0.5
197.52972	0.3
197.80359	0.3
295.22809	0.8
311.22083	1.7
377.28632	0.5
393.31888	1.1
409.31033	0.4
425.30609	0.4
437.30637	2.7
455.31561	3.8
456.32428	0.5
467.31833	1.2
469.29767	0.4
485.32721	33.8
486.17572	0.4
486.33032	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	485.2754
Annotation	Unknow
Peak:m/z	Relative Intensity
51.22739	0.6
57.03447	1.4
59.01374	57.1
61.98804	2.9
67.01859	2.1
69.96413	1.4
69.96811	2.0
71.01366	1.8
83.05027	0.7
85.02947	12.5
87.00866	7.9
91.59528	0.7
93.03457	5.1
111.00874	47.6
111.04509	2.0
111.96989	0.7
112.01189	2.0
127.03973	3.0
139.11261	2.6
143.10722	0.8
155.10771	1.2
156.51500	0.7
161.08191	0.7
167.10753	3.7
173.00887	4.7
173.04515	3.3
183.10272	0.9
185.11830	2.9
191.05611	100.0
192.05959	2.0
199.13457	0.9
201.11266	0.9
229.10791	3.7
249.22151	1.0
293.21140	6.4
297.92792	0.7
311.22247	92.7
312.22626	4.8
317.63364	0.8
439.32266	5.4
455.31799	2.1
467.26120	4.2
467.32413	1.5
485.27591	1.9
485.32928	29.5
486.33383	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	485.2752
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	3.7
61.24821	0.4
61.98845	0.4
62.05917	0.4
71.01368	0.9
71.16360	1.1
75.20692	0.4
83.05057	0.4
85.02942	10.1
87.00866	1.9
93.02918	0.6
93.03446	3.9
96.95967	0.8
100.90211	0.4
109.02950	1.0
111.00863	2.3
111.04510	1.3
125.09715	0.4
127.04015	2.1
141.09232	0.4
148.92874	0.5
155.14354	0.5
171.10310	0.7
173.00949	0.5
173.04536	2.0
181.19029	0.5
191.05597	100.0
192.05945	2.4
217.10696	0.5
249.22295	0.5
255.56818	0.4
293.21152	1.6
311.22247	32.9
312.22546	1.6
368.17221	0.5
439.32211	0.9
441.33575	2.4
449.62460	0.4
455.31815	0.8
467.25940	0.7
467.31873	1.0
469.49185	0.5
485.27499	1.7
485.33035	11.2
486.33688	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.1661
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	0.8
59.01381	3.8
59.70151	0.8
60.99289	1.7
67.01890	3.7
69.03461	0.7
70.62354	2.0
71.01386	3.8
72.99317	1.1
79.95741	0.7
80.32793	0.6
80.83966	0.6
81.03457	1.0
83.05035	1.4
85.02952	8.3
87.00864	5.3
93.03455	25.1
94.03802	0.8
96.96012	7.6
97.51472	0.8
98.95598	1.0
109.02937	1.7
111.04515	6.7
116.15335	0.6
116.92846	0.9
122.69168	0.7
127.03991	1.9
134.03745	1.5
135.04472	1.6
136.01619	1.3
137.02435	2.2
147.04532	1.0
148.05276	0.7
151.71835	0.6
153.84930	0.7
155.03505	3.5
159.04509	0.8
161.02466	1.9
173.04541	37.2
174.03278	1.4
174.04895	0.8
175.04018	1.3
176.04784	10.2
177.09190	14.0
187.04012	0.9
187.07663	6.6
190.06319	2.4
191.05598	100.0
192.05963	2.8
202.06377	2.1
203.07164	3.9
205.08676	21.8
231.10297	4.5
233.06377	1.3
233.08498	1.0
249.11285	23.5
250.11749	1.0
261.06161	1.5
267.12354	6.9
275.09207	4.0
293.10291	5.7
311.11450	2.1
326.49814	0.7
467.15558	23.1
468.15958	1.0
485.16632	52.9
486.17001	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	485.1646
Annotation	Unknow
Peak:m/z	Relative Intensity
56.55724	0.7
59.01379	6.6
60.02348	0.8
60.99284	1.0
64.24946	0.6
65.20749	0.7
67.01878	1.9
70.52721	0.6
71.01379	7.0
72.99287	0.9
73.02923	1.1
74.81062	0.7
81.03455	0.7
82.95412	14.7
83.05019	1.2
85.02945	8.3
87.00875	4.8
89.02436	1.3
93.03451	17.2
93.04682	0.7
96.95985	1.9
99.00850	1.1
101.02437	2.1
109.02948	1.4
111.04526	4.8
113.02447	1.3
125.02440	0.8
127.03963	1.7
131.03467	0.8
134.03790	0.9
137.02414	1.0
142.26137	0.7
147.04495	0.7
155.03471	3.7
160.06407	0.9
161.02475	1.7
161.04497	0.9
161.07195	8.8
172.05258	0.8
173.04535	26.7
173.06027	1.4
174.03180	2.5
174.04739	0.7
175.03996	1.0
175.08792	2.7
176.04779	11.9
177.09187	15.5
178.09433	0.8
179.05420	0.6
187.07576	7.6
188.04659	1.0
189.06697	14.5
190.06355	2.3
191.05592	100.0
192.05951	3.1
202.06331	2.9
203.06932	2.7
203.08401	2.0
203.10019	0.7
205.08678	24.6
206.82333	0.7
221.06563	1.3
231.10219	6.9
233.08357	0.9
243.94589	0.8
247.06480	1.2
249.11299	26.3
250.11604	1.9
257.08167	2.5
267.12375	8.9
275.09265	2.3
293.10217	5.7
302.03909	1.2
305.11334	1.4
311.11343	2.4
332.04758	1.2
402.55347	0.8
422.07840	1.2
449.14508	0.9
467.15536	18.5
468.16125	1.1
485.16968	48.7
486.17450	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	485.1213
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	0.6
59.01374	2.8
60.99310	0.8
61.98822	1.3
67.01898	2.4
68.19332	0.3
69.03452	0.6
71.01376	2.5
71.62490	0.6
72.25279	0.3
73.02943	0.4
79.95741	1.5
80.31897	0.3
81.03458	0.7
83.05019	1.1
85.02950	8.4
87.00868	4.1
93.03454	18.0
95.01376	0.4
95.95230	0.4
96.96004	4.4
98.95609	0.7
99.00893	0.6
99.04531	0.6
109.02964	1.2
111.04517	4.3
113.02435	0.5
127.04011	2.1
133.02954	0.6
135.04497	1.4
137.02435	1.1
143.08630	0.4
146.03712	0.6
151.04010	0.4
151.07661	0.5
155.03459	2.3
155.07825	0.3
158.03728	1.0
159.04483	2.1
159.08133	0.9
161.02432	0.4
161.66493	0.3
171.02917	0.4
172.05270	2.4
173.04532	15.2
173.06039	3.6
174.03230	0.9
174.06833	1.1
175.07611	1.0
177.01901	0.8
187.04114	2.3
187.07634	25.7
188.08054	1.7
191.05600	100.0
192.05960	2.4
198.06725	0.3
199.04214	0.4
201.05553	4.6
201.08934	0.3
202.06340	12.2
202.10120	0.4
203.07143	1.8
203.10805	1.4
205.08705	0.4
213.09219	2.5
215.07108	1.6
216.07863	1.4
227.03551	0.5
228.04205	0.6
229.08659	1.1
231.06882	2.1
231.10231	21.5
232.10556	1.0
239.06700	11.6
239.09138	0.6
239.56905	2.0
240.06621	0.6
249.11346	0.6
257.08176	5.1
275.09235	14.2
276.09558	0.7
299.52853	0.3
322.96109	0.3
333.80026	0.3
346.53613	0.3
365.17981	2.3
399.18466	0.5
405.46548	0.4
449.14502	25.9
450.14835	2.1
485.12311	8.4
485.18710	0.7
486.12985	0.9
496.86884	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.1216
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03427	1.1
59.01381	19.4
60.10793	1.2
60.99289	2.0
61.98835	11.5
64.94738	1.3
67.01867	4.2
69.03451	1.5
69.42509	8.4
71.01379	6.5
82.95416	3.2
83.04995	1.8
85.02951	9.3
87.00864	7.7
93.03451	23.3
96.96004	13.1
98.95534	1.5
99.04550	1.3
101.02426	3.8
102.05594	9.6
109.02914	3.0
111.04494	4.5
113.02429	2.7
121.02959	1.3
123.04472	1.6
125.02441	2.5
127.04005	2.8
128.03528	9.0
129.97139	1.2
133.02933	2.9
134.03761	2.0
135.04523	4.9
136.04861	1.5
137.02425	2.0
146.04637	6.4
152.98219	1.5
161.02402	6.0
161.04559	1.4
162.02917	2.0
172.05164	1.4
173.04523	21.4
173.05891	1.4
177.05463	1.6
178.19644	1.1
178.86766	1.3
179.03459	3.3
183.03000	1.3
187.07637	8.7
188.04787	1.6
191.05602	100.0
201.05602	1.3
202.06358	5.2
213.09138	1.9
231.06783	1.6
231.10165	10.3
257.08160	4.7
275.09253	6.2
342.08994	1.8
343.70197	1.2
355.24774	1.4
449.14474	33.7
450.14801	3.0
484.29337	6.6
485.12067	11.8
485.29202	10.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.2725
Annotation	Unknow
Peak:m/z	Relative Intensity
65.68884	0.3
71.46636	0.6
78.95896	16.9
80.64473	0.4
96.96978	1.0
150.98007	0.5
152.99580	31.0
171.00618	1.4
210.93387	0.4
227.03238	4.2
245.04234	1.2
255.23271	100.0
256.23630	4.9
297.14520	0.4
353.45453	0.4
391.22513	0.8
409.23822	0.4
453.83817	0.3
480.42081	0.4
483.27240	64.8
484.27625	4.7
486.43936	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.2725
Annotation	Unknow
Peak:m/z	Relative Intensity
63.08613	0.2
70.36833	0.5
71.15570	0.3
78.95899	6.6
96.96943	0.4
98.20499	0.3
107.93111	0.2
152.99573	14.7
171.00630	1.0
225.86768	0.3
227.03253	3.1
237.22119	0.2
245.04311	1.9
255.23270	100.0
256.23618	5.5
400.77783	0.3
483.27234	35.0
484.27621	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.1219
Annotation	Unknow
Peak:m/z	Relative Intensity
51.04780	0.2
56.90827	0.3
57.03434	0.5
59.01381	2.7
59.29997	0.3
60.99294	0.9
61.98818	0.9
63.71758	0.3
67.01884	2.3
69.03453	0.5
71.01378	2.0
71.62392	0.3
73.02951	0.6
80.02737	0.3
81.03439	0.8
83.05026	0.6
85.02947	8.4
87.00868	4.9
89.60239	0.3
93.03455	19.2
94.03803	0.9
95.01406	0.5
96.95996	4.1
98.95573	0.9
99.00893	0.5
99.04510	0.5
109.02959	1.5
111.04511	3.7
113.02442	0.7
125.02383	0.4
127.04015	1.8
129.01930	0.7
133.02936	0.3
135.04536	0.6
137.02423	0.8
151.91872	0.3
153.01855	0.3
155.03482	1.3
159.04562	0.7
159.08092	0.3
161.02380	0.8
171.02979	0.4
172.05290	0.8
173.04544	12.3
173.06012	1.2
174.03220	0.3
174.04858	0.6
174.06711	0.6
175.05046	0.4
175.07573	0.8
177.01913	0.5
179.03523	0.4
187.03970	1.1
187.07628	9.8
188.08051	0.4
189.01990	0.8
191.05597	100.0
192.05966	2.6
199.04007	0.4
200.04715	0.3
201.05542	0.9
202.06343	3.5
203.06990	0.9
203.10735	0.9
213.09174	1.4
215.07202	0.9
216.07886	0.6
220.46323	0.3
227.03474	0.5
228.04140	0.5
229.08704	0.9
231.06683	0.7
231.10228	5.8
232.10497	0.4
239.06819	0.4
249.11255	0.8
257.08154	3.9
275.09244	3.1
317.10440	0.4
320.16855	0.3
339.05096	0.8
343.12280	0.3
431.13373	0.4
449.14496	24.0
450.14819	2.4
485.12173	8.5
485.18155	0.6
485.26880	0.6
486.12604	0.6
490.50360	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.2591
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	8.4
61.82739	0.5
61.98822	1.0
67.01865	0.5
69.26840	4.7
71.01376	0.8
83.05027	0.7
85.02948	9.6
87.00862	2.0
90.57204	0.4
93.03458	4.2
96.95988	0.8
108.98959	0.5
109.02970	1.7
111.00869	1.3
111.04516	2.1
115.35162	0.5
127.04005	2.2
137.02391	1.1
153.01939	0.5
158.44560	0.5
165.01915	0.7
171.02980	0.8
173.04517	1.5
191.05600	100.0
192.05945	3.2
193.72777	0.6
195.13992	0.5
231.06975	2.1
231.57086	0.8
291.19647	3.9
309.20700	27.9
310.21100	1.5
424.57245	0.5
465.24866	0.6
483.25888	6.0
483.31735	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.2596
Annotation	Unknow
Peak:m/z	Relative Intensity
55.70110	0.2
57.03435	0.8
59.01378	4.1
61.98822	1.0
67.01878	1.0
71.01385	1.1
73.02959	0.6
78.95870	0.3
81.03444	0.6
83.05005	0.8
85.02951	9.4
87.00870	3.5
92.98226	0.3
93.03452	4.5
96.96003	0.9
98.19744	0.5
99.04478	0.4
109.02961	0.8
111.00874	18.4
111.04494	1.8
112.01202	0.3
125.09702	0.4
127.03996	2.3
137.02425	1.2
139.11282	1.4
161.74702	0.3
165.01947	0.3
167.10669	0.3
171.02991	0.7
171.10191	0.4
173.00912	1.7
173.04552	1.8
183.10162	0.4
185.11783	1.9
191.05594	100.0
192.05916	2.5
193.15918	0.5
199.09674	0.4
200.10504	0.4
201.11440	0.4
213.11293	0.5
215.09106	0.4
217.10751	0.4
229.10760	1.7
230.11108	0.3
231.06880	1.3
231.57184	0.3
247.20609	1.0
263.20081	0.3
273.18628	0.3
291.16531	0.4
291.19601	3.4
292.19888	0.4
309.20682	36.5
310.21036	2.5
342.11270	0.2
355.24789	0.3
465.24817	2.2
466.24857	0.3
483.26569	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	483.2233
Annotation	Unknow
Peak:m/z	Relative Intensity
50.34837	0.3
57.03444	2.3
59.01378	2.8
61.98816	1.0
67.01878	2.4
71.01391	0.4
71.31739	0.8
83.01393	0.3
85.02945	1.8
87.00870	8.2
93.03506	0.3
96.96009	0.8
101.02438	0.3
111.00874	100.0
112.01229	1.5
125.09618	0.4
129.02017	0.8
135.02972	0.3
135.13464	0.3
137.02446	1.3
142.99800	0.3
150.03244	1.2
154.99814	0.5
157.59981	0.4
161.02402	0.4
165.01820	0.4
173.00887	8.9
191.05583	2.1
191.07158	1.2
191.92870	0.3
208.00497	0.4
235.09782	0.5
287.05591	0.6
291.19638	0.5
293.21173	0.6
309.20654	1.7
334.23138	0.4
372.36331	0.3
385.13156	1.0
413.51773	0.3
439.17868	0.3
483.21246	0.6
483.31833	0.7
484.23227	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.2447
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	1.8
57.03432	1.9
58.00601	0.9
59.01379	34.1
61.98835	3.1
64.74123	0.5
67.88855	0.5
69.03452	0.7
69.32587	4.6
71.01378	27.3
72.99303	2.3
73.02948	9.1
78.95908	0.6
83.01385	5.2
83.50440	0.6
85.02952	11.8
86.00047	0.9
87.00864	2.2
89.02439	11.9
90.80549	0.7
93.03445	2.9
95.01369	0.9
96.96000	4.1
97.02959	1.4
98.20648	1.2
99.00876	3.8
101.02444	25.4
102.02743	0.6
109.02926	1.7
111.00864	2.5
113.02446	7.3
115.03976	0.9
125.02438	1.5
129.01910	0.9
131.03490	9.1
133.02925	2.6
134.03679	0.6
135.04523	3.0
137.02414	1.5
143.03502	1.5
149.04533	3.7
152.04326	0.7
159.02980	1.0
161.02441	6.9
161.04498	5.1
162.02736	1.4
173.04591	4.5
174.04849	1.3
177.01881	2.1
178.02361	1.4
179.03462	1.8
191.05617	7.5
192.05913	1.1
200.02232	0.6
215.05542	0.8
233.06651	1.4
247.09938	0.6
284.56497	0.6
291.18112	21.1
292.18445	1.0
341.05801	0.8
353.08768	1.1
390.32516	0.6
401.61868	0.8
412.84201	0.7
423.22318	100.0
424.22656	8.5
439.16049	2.0
483.10507	1.3
483.18350	2.6
483.28455	1.5
484.28848	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	483.2233
Annotation	Unknow
Peak:m/z	Relative Intensity
50.34837	0.3
57.03444	2.3
59.01378	2.8
61.98816	1.0
67.01878	2.4
71.01391	0.4
71.31739	0.8
83.01393	0.3
85.02945	1.8
87.00870	8.2
93.03506	0.3
96.96009	0.8
101.02438	0.3
111.00874	100.0
112.01229	1.5
125.09618	0.4
129.02017	0.8
135.02972	0.3
135.13464	0.3
137.02446	1.3
142.99800	0.3
150.03244	1.2
154.99814	0.5
157.59981	0.4
161.02402	0.4
165.01820	0.4
173.00887	8.9
191.05583	2.1
191.07158	1.2
191.92870	0.3
208.00497	0.4
235.09782	0.5
287.05591	0.6
291.19638	0.5
293.21173	0.6
309.20654	1.7
334.23138	0.4
372.36331	0.3
385.13156	1.0
413.51773	0.3
439.17868	0.3
483.21246	0.6
483.31833	0.7
484.23227	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.2001
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	70.4
61.98825	100.0
62.06712	4.6
63.65494	4.4
71.01383	28.7
71.22433	12.0
71.48978	6.0
73.02947	18.9
83.01396	5.1
85.02928	12.5
87.00894	8.1
88.98808	6.7
89.02429	34.5
90.85822	5.3
93.03458	14.8
95.01397	5.7
96.70068	6.6
96.96013	31.2
98.79060	4.8
99.00871	8.7
101.02425	34.9
102.05587	9.8
113.02444	17.5
121.02946	54.6
125.02415	11.7
128.03535	17.4
133.02968	7.7
135.04539	29.3
137.02428	18.4
147.04535	9.4
149.04555	19.8
149.05898	5.0
152.99634	7.8
161.02425	24.0
161.04535	7.8
162.02779	6.7
165.01915	9.7
173.04578	32.6
179.03490	15.4
191.05617	64.1
192.05960	7.3
246.05304	5.9
335.22247	13.4
353.08685	7.0
367.11813	7.7
447.22311	59.7
448.22226	6.7
482.28259	16.6
483.09344	8.3
483.20065	60.4
483.28607	89.3
484.21622	6.6
484.29129	22.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.1997
Annotation	Unknow
Peak:m/z	Relative Intensity
53.56367	8.6
57.57671	7.3
59.01376	68.5
61.98822	12.5
65.36565	6.7
66.91580	7.2
70.50610	30.9
71.01373	36.5
73.02937	16.1
77.19442	7.5
78.95904	36.6
83.01388	9.5
85.02966	17.1
86.44294	8.6
87.00859	9.7
89.02447	38.9
93.03446	24.3
96.95973	37.7
99.04516	10.7
99.10197	8.5
101.02461	26.9
109.02985	14.1
111.04608	9.1
113.02461	8.4
119.03542	9.0
119.05003	12.1
121.02961	32.5
128.03514	10.4
133.02927	21.6
135.04530	35.3
137.02437	17.7
147.04512	21.4
149.04543	13.6
152.99561	35.1
161.02451	60.8
163.04028	9.5
173.04507	82.2
179.03482	24.9
184.65300	7.4
191.05643	55.4
192.05971	16.3
313.49298	7.8
337.09351	17.8
349.02747	9.2
399.18436	11.6
447.22424	100.0
449.79379	7.5
483.20175	85.0
483.28491	15.9
498.84372	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	483.1503
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	100.0
60.01701	0.5
61.98827	1.7
71.01387	2.7
71.80758	0.3
73.01122	0.3
81.56224	0.4
83.05029	0.4
85.02970	0.4
87.00867	0.7
93.77753	0.4
96.96025	1.7
111.00890	1.5
112.93571	0.4
113.02454	0.5
117.48715	0.3
121.02928	0.8
125.02474	1.1
137.02451	1.2
150.03224	0.7
155.28339	0.4
161.02422	0.5
164.01082	0.4
165.01918	0.7
165.74890	0.3
173.04535	0.4
175.07634	0.5
179.03476	0.6
191.05629	1.2
225.11301	0.4
291.19592	0.6
294.95721	0.4
309.20834	0.5
321.85709	0.4
335.22284	5.0
337.09698	0.4
350.03067	0.3
368.06589	0.5
381.12088	1.0
385.13220	1.5
398.20801	0.4
415.96323	0.5
423.13065	0.6
482.29013	0.6
483.19504	1.1
483.25800	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	481.1711
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	1.3
59.01366	1.6
60.99300	5.9
65.03979	0.5
67.01887	13.8
69.03456	4.8
69.33767	3.4
71.01374	4.3
73.02960	0.6
81.03460	2.5
83.01402	0.4
83.05033	2.5
85.02944	1.1
87.00871	19.1
89.01791	0.4
93.03452	100.0
94.03785	1.7
96.96041	0.4
97.06586	0.5
98.19888	0.6
99.00893	2.1
99.04517	1.6
109.02957	0.7
111.04515	12.9
111.42842	0.3
113.02431	1.4
115.04008	1.3
119.01003	0.3
121.02908	0.4
129.01950	3.0
133.02965	2.3
134.03735	8.7
135.04530	3.1
137.02438	2.1
138.85008	0.4
139.03975	0.8
143.03464	0.9
150.03149	0.3
155.03532	3.3
162.03236	0.5
173.04539	51.5
174.04878	1.1
177.01933	1.9
178.02707	8.4
179.03476	1.1
191.05597	2.4
206.24797	0.4
275.09354	1.2
308.09158	0.5
351.07056	0.9
352.07965	1.0
449.14481	48.9
450.14902	3.5
481.17093	27.5
482.17548	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.2568
Annotation	Unknow
Peak:m/z	Relative Intensity
52.57542	0.6
55.77477	0.7
59.09563	0.6
59.55633	0.6
69.41765	4.0
69.42183	2.0
78.95900	39.9
96.96958	3.1
120.37000	0.7
152.99580	59.0
169.03679	0.6
169.16573	0.8
171.00644	17.2
171.02089	1.2
183.43144	0.7
209.45189	0.8
227.03192	4.2
237.12068	0.9
245.04289	100.0
246.04665	2.7
253.21715	67.2
254.22009	2.9
354.98810	0.7
481.25653	51.7
482.25983	5.7
495.09717	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.1502
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	1.5
59.01377	100.0
61.98817	2.7
69.01138	0.7
69.72832	0.9
71.01049	0.9
71.01363	4.8
71.61601	1.1
73.02943	3.7
78.95890	1.1
83.01368	1.3
83.04995	1.1
85.02942	3.7
87.49671	0.8
89.02454	1.3
90.89105	0.8
92.31170	0.8
96.96009	2.2
96.96973	0.9
101.02444	2.2
102.05596	1.1
109.02934	1.2
113.02447	1.2
119.03460	1.4
125.02444	1.9
128.03471	1.0
135.04469	0.8
137.02422	2.7
161.02501	1.6
161.04543	1.5
165.01944	1.6
173.04584	1.5
179.03453	1.2
191.05592	3.7
241.77071	1.2
257.68420	1.1
272.94791	0.9
279.14346	1.0
301.03506	1.1
381.26385	1.7
385.12924	2.0
473.07715	0.8
483.29373	5.4
483.68805	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.1712
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	1.8
58.00597	0.3
59.01381	2.6
60.99305	5.1
65.03949	0.5
66.25514	0.2
67.01884	15.1
69.03448	4.0
71.01380	5.7
71.05006	0.3
73.02954	0.4
81.03446	2.9
83.05029	2.5
85.02952	2.7
87.00871	17.9
88.52928	0.3
93.03452	100.0
94.03787	1.8
95.01372	0.3
96.96037	0.3
97.02944	0.4
97.06581	1.1
98.20689	0.4
99.00864	2.1
99.04524	1.5
101.02415	0.5
101.33603	0.2
105.03391	0.3
109.02956	1.7
111.00850	0.5
111.04508	13.6
112.04794	0.3
113.02438	1.9
115.03994	0.9
127.03990	0.8
129.01942	2.1
133.02975	1.5
134.03734	22.4
135.04575	2.5
137.02432	2.9
143.03459	0.9
153.01930	0.3
153.71037	0.2
155.03481	4.8
159.04469	0.3
161.02391	0.5
162.66818	0.2
173.04530	85.9
174.04861	2.1
177.01894	1.7
178.02707	3.8
179.03456	0.7
179.84496	0.2
187.07646	0.5
191.05588	14.2
192.05893	0.5
202.06432	0.3
203.10719	0.8
214.63251	0.3
229.08652	0.4
231.10225	1.4
232.10651	0.3
257.08109	0.6
275.09317	1.3
289.10815	0.6
304.79980	0.3
307.11880	5.6
308.12039	0.4
349.55154	0.3
404.97165	0.3
421.20734	0.3
449.08276	0.6
449.14478	11.4
450.14679	0.9
481.17087	48.5
482.17505	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.1713
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03430	0.3
59.01374	1.2
60.99314	0.2
67.01873	0.6
68.81979	0.2
69.41849	1.0
69.42257	0.4
71.01377	1.0
73.02962	0.3
79.73660	0.2
81.03458	0.3
83.05013	0.4
85.02951	7.9
87.00868	2.1
89.02505	0.2
93.03452	5.9
98.19805	0.2
99.00807	0.2
99.04534	0.4
109.02953	1.1
111.04518	1.5
125.02443	0.3
127.03991	2.2
135.01076	0.2
135.04503	0.3
137.02376	0.2
146.32510	0.2
155.03444	0.3
158.03691	0.3
159.04541	0.3
161.02359	0.2
171.02974	0.6
172.05273	0.4
173.04555	3.7
173.05997	0.3
176.11234	0.2
187.04025	1.0
187.07640	2.8
188.08112	0.2
191.05595	100.0
192.05933	2.3
200.04779	0.3
201.05634	0.3
202.06337	2.3
203.07036	0.4
203.10742	0.3
213.09149	1.2
215.07045	1.0
227.03510	0.2
227.21271	0.2
229.08684	0.3
231.10208	2.2
245.11804	0.7
247.09766	0.5
257.08163	1.5
263.12921	0.3
275.09253	1.8
289.10733	1.9
307.11856	1.3
449.14493	6.6
450.14789	0.5
474.40787	0.2
481.10413	0.4
481.16968	1.9
482.17596	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.1712
Annotation	Unknow
Peak:m/z	Relative Intensity
54.26490	0.4
59.01377	1.7
67.01881	1.0
69.03445	0.6
69.48936	3.4
69.49283	0.6
71.01378	1.0
74.51475	0.4
77.19883	0.4
83.05022	0.5
85.02942	9.5
86.36007	0.4
87.00871	1.6
91.04600	0.5
93.02908	0.8
93.03452	7.0
98.19925	0.9
99.04505	0.6
109.02950	2.3
111.04507	1.9
119.53290	0.4
127.04005	2.0
135.04489	0.4
137.02403	0.6
159.04443	0.6
160.46895	0.5
171.02953	0.7
173.04535	13.6
173.05989	1.0
173.77684	0.5
174.62553	0.5
187.04025	1.2
187.07639	6.2
191.05591	100.0
192.05908	3.0
201.05464	1.2
202.06355	6.0
203.07182	0.5
213.09137	2.5
215.07076	0.9
231.10234	7.5
239.06689	0.6
242.41205	0.5
247.09857	0.6
257.08090	0.6
263.12848	1.0
275.09192	4.8
289.10760	1.3
298.80139	0.5
307.11932	2.6
449.14471	11.5
450.14700	0.8
481.16913	2.6
482.17325	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.1348
Annotation	Catalposide
Peak:m/z	Relative Intensity
52.06565	1.1
57.03431	4.3
59.01372	3.2
61.98822	1.8
69.03448	1.5
71.01369	1.6
71.61283	1.3
81.03464	1.8
83.01404	7.7
85.02950	2.6
89.02428	2.1
93.03451	4.4
95.01363	1.6
95.05016	2.4
96.96009	5.6
97.02943	3.4
99.04486	2.3
105.03494	1.2
107.05025	3.3
108.02164	8.7
109.02954	20.4
111.00892	1.4
111.04489	1.4
120.02158	3.8
121.02914	3.6
122.03718	1.2
123.00863	1.1
123.04496	8.1
124.01661	13.0
125.02451	33.8
132.02139	2.0
133.02948	2.8
135.04503	2.4
136.01622	2.4
137.02434	67.8
138.02766	1.2
139.04004	5.4
148.01662	4.6
149.02444	6.9
151.04001	10.6
153.01959	2.6
153.05537	4.2
160.01643	13.5
161.02448	9.8
161.04504	1.1
163.00359	4.8
163.04010	7.4
164.01143	36.0
165.01920	14.9
166.02463	1.3
167.03473	9.6
173.04491	2.2
174.03120	1.3
175.03990	4.4
177.01923	10.9
178.02650	2.1
179.03458	2.8
188.04703	1.8
191.03539	3.0
191.05585	12.3
192.05914	1.7
193.05064	2.4
195.02974	24.7
199.03938	2.0
200.04747	2.1
213.05562	2.4
214.06381	1.5
217.05005	1.3
218.05853	2.2
219.02985	2.7
233.08138	1.9
234.99321	2.6
240.04147	2.2
241.05029	8.2
242.05803	3.3
243.02971	2.5
248.97186	1.5
256.07333	6.8
258.05191	2.0
268.03696	3.4
269.04205	1.3
271.09738	13.2
273.07657	3.6
283.05988	2.2
285.03998	3.6
286.04803	41.2
287.05249	1.9
290.83600	1.2
299.07761	2.0
301.07150	100.0
302.07376	5.8
319.08234	13.2
319.11606	1.6
320.08603	2.0
325.07193	2.3
343.08243	4.2
357.08252	22.3
357.12207	0.8
358.08765	1.4
391.03793	1.3
400.28012	1.4
421.20792	1.7
448.10092	8.3
463.12424	8.1
465.73672	1.3
481.13547	12.4
496.55383	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.3091
Annotation	LPE(18:0/0:0)
Peak:m/z	Relative Intensity
51.26494	0.2
56.65631	0.2
57.25247	0.2
61.82539	0.2
61.98830	2.8
62.96379	0.3
64.51084	0.2
69.94758	0.9
77.67245	0.2
78.95899	17.6
94.77409	0.2
98.20572	0.2
104.97473	0.2
109.02928	0.2
122.00153	0.5
122.98569	0.3
123.48972	0.3
135.46132	0.3
135.58826	0.2
136.02892	0.2
140.01189	4.6
140.02234	0.4
152.99559	1.3
176.08359	0.2
190.09132	0.2
196.03784	10.0
214.04875	2.2
283.26392	100.0
284.26727	5.6
480.30887	35.9
481.31265	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	481.1348
Annotation	Unknow
Peak:m/z	Relative Intensity
52.06565	1.1
57.03431	4.3
59.01372	3.2
61.98822	1.8
69.03448	1.5
71.01369	1.6
71.61283	1.3
81.03464	1.8
83.01404	7.7
85.02950	2.6
89.02428	2.1
93.03451	4.4
95.01363	1.6
95.05016	2.4
96.96009	5.6
97.02943	3.4
99.04486	2.3
105.03494	1.2
107.05025	3.3
108.02164	8.7
109.02954	20.4
111.00892	1.4
111.04489	1.4
120.02158	3.8
121.02914	3.6
122.03718	1.2
123.00863	1.1
123.04496	8.1
124.01661	13.0
125.02451	33.8
132.02139	2.0
133.02948	2.8
135.04503	2.4
136.01622	2.4
137.02434	67.8
138.02766	1.2
139.04004	5.4
148.01662	4.6
149.02444	6.9
151.04001	10.6
153.01959	2.6
153.05537	4.2
160.01643	13.5
161.02448	9.8
161.04504	1.1
163.00359	4.8
163.04010	7.4
164.01143	36.0
165.01920	14.9
166.02463	1.3
167.03473	9.6
173.04491	2.2
174.03120	1.3
175.03990	4.4
177.01923	10.9
178.02650	2.1
179.03458	2.8
188.04703	1.8
191.03539	3.0
191.05585	12.3
192.05914	1.7
193.05064	2.4
195.02974	24.7
199.03938	2.0
200.04747	2.1
213.05562	2.4
214.06381	1.5
217.05005	1.3
218.05853	2.2
219.02985	2.7
233.08138	1.9
234.99321	2.6
240.04147	2.2
241.05029	8.2
242.05803	3.3
243.02971	2.5
248.97186	1.5
256.07333	6.8
258.05191	2.0
268.03696	3.4
269.04205	1.3
271.09738	13.2
273.07657	3.6
283.05988	2.2
285.03998	3.6
286.04803	41.2
287.05249	1.9
290.83600	1.2
299.07761	2.0
301.07150	100.0
302.07376	5.8
319.08234	13.2
319.11606	1.6
320.08603	2.0
325.07193	2.3
343.08243	4.2
357.08252	22.3
357.12207	0.8
358.08765	1.4
391.03793	1.3
400.28012	1.4
421.20792	1.7
448.10092	8.3
463.12424	8.1
465.73672	1.3
481.13547	12.4
496.55383	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.2599
Annotation	18-Demethylpubescenine
Peak:m/z	Relative Intensity
57.03431	1.2
59.01389	3.3
61.98823	2.5
69.03458	1.0
71.01373	1.4
72.04552	0.5
73.02938	0.9
78.95934	0.8
81.07108	1.9
83.01373	0.5
83.05022	3.4
84.04559	2.9
85.02956	3.2
86.03295	0.5
93.03461	1.7
95.05021	3.4
96.96001	3.6
97.06613	0.6
99.04477	0.8
100.04026	0.9
101.02441	0.5
101.89341	0.4
102.05605	31.5
103.05941	0.4
107.05031	2.9
109.02958	1.0
109.06567	0.5
113.02460	0.4
113.06079	1.1
119.08665	4.3
121.02913	0.5
125.02474	2.1
126.05663	0.4
128.03534	10.7
128.04401	0.4
129.01941	0.5
133.02946	0.9
135.04518	1.2
135.08156	0.5
137.02470	0.9
137.09711	8.5
140.10803	0.5
146.04581	2.4
148.05278	0.4
150.03209	0.9
151.03970	0.7
161.02429	2.7
162.09351	0.4
163.07669	1.4
165.02043	0.4
173.04500	2.4
177.01851	0.5
178.02849	0.5
179.03497	0.7
181.08696	3.5
183.09010	1.4
189.01904	1.1
191.01871	1.1
191.05569	4.6
192.02177	0.5
204.13994	0.6
211.13295	0.5
217.01454	0.6
238.14429	0.7
241.05057	0.6
247.98039	0.4
266.14020	2.7
285.03793	0.5
289.07266	0.9
328.84689	0.4
351.21756	15.9
352.22223	1.3
436.27167	2.7
449.14755	0.6
462.24887	3.6
480.26010	100.0
481.26462	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	480.3091
Annotation	Unknow
Peak:m/z	Relative Intensity
53.68890	0.0
55.01882	0.0
55.32656	0.0
56.55234	0.0
61.98808	0.1
62.96404	0.1
64.67989	0.0
66.23454	0.0
78.95900	18.5
96.96956	0.3
104.97478	0.1
122.98502	0.2
134.98506	0.1
152.99579	2.4
168.04306	3.1
194.05853	0.1
224.06908	7.9
225.07266	0.1
237.22112	0.2
242.07961	1.8
243.08600	0.0
245.04274	0.1
247.13953	0.0
253.21718	0.1
255.23268	100.0
256.23596	5.2
391.22549	0.1
480.30899	29.9
481.31274	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	480.2599
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03431	1.2
59.01389	3.3
61.98823	2.5
69.03458	1.0
71.01373	1.4
72.04552	0.5
73.02938	0.9
78.95934	0.8
81.07108	1.9
83.01373	0.5
83.05022	3.4
84.04559	2.9
85.02956	3.2
86.03295	0.5
93.03461	1.7
95.05021	3.4
96.96001	3.6
97.06613	0.6
99.04477	0.8
100.04026	0.9
101.02441	0.5
101.89341	0.4
102.05605	31.5
103.05941	0.4
107.05031	2.9
109.02958	1.0
109.06567	0.5
113.02460	0.4
113.06079	1.1
119.08665	4.3
121.02913	0.5
125.02474	2.1
126.05663	0.4
128.03534	10.7
128.04401	0.4
129.01941	0.5
133.02946	0.9
135.04518	1.2
135.08156	0.5
137.02470	0.9
137.09711	8.5
140.10803	0.5
146.04581	2.4
148.05278	0.4
150.03209	0.9
151.03970	0.7
161.02429	2.7
162.09351	0.4
163.07669	1.4
165.02043	0.4
173.04500	2.4
177.01851	0.5
178.02849	0.5
179.03497	0.7
181.08696	3.5
183.09010	1.4
189.01904	1.1
191.01871	1.1
191.05569	4.6
192.02177	0.5
204.13994	0.6
211.13295	0.5
217.01454	0.6
238.14429	0.7
241.05057	0.6
247.98039	0.4
266.14020	2.7
285.03793	0.5
289.07266	0.9
328.84689	0.4
351.21756	15.9
352.22223	1.3
436.27167	2.7
449.14755	0.6
462.24887	3.6
480.26010	100.0
481.26462	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	479.3374
Annotation	Unknow
Peak:m/z	Relative Intensity
53.08417	1.1
59.01350	1.1
83.05053	1.2
98.20644	2.9
127.05827	1.0
137.09695	10.7
141.05626	1.7
155.10767	100.0
156.11093	2.6
166.24802	1.0
171.10274	17.1
181.08731	1.8
199.09744	51.2
200.10057	0.9
217.10789	84.8
218.11162	2.3
218.82024	1.1
279.23270	41.8
280.23611	2.0
425.61313	1.1
479.33737	38.8
480.34064	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	480.1145
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	1.0
57.77290	0.5
59.01119	0.5
59.01374	2.9
60.99297	0.8
61.27954	0.5
61.98824	100.0
64.18767	0.5
65.00330	1.8
67.01894	1.5
67.53867	0.5
69.03453	0.6
69.45449	4.1
71.01360	3.0
72.99285	0.6
73.02946	1.2
73.18164	0.5
78.95898	1.7
83.01376	1.9
83.05030	0.5
85.02946	6.3
87.00881	3.6
87.14481	0.5
93.03447	13.2
93.04007	0.9
96.95988	3.3
98.19928	1.2
99.00895	0.7
101.02457	1.3
102.05591	2.4
107.01360	4.0
111.00872	0.7
111.04514	1.8
113.02460	1.3
115.04031	0.5
119.03584	0.4
124.34626	0.5
125.02459	0.9
128.03561	1.9
129.01944	1.1
133.02922	1.0
134.03754	1.4
135.04539	1.4
137.02455	1.5
145.06624	0.6
146.04655	1.1
147.02994	0.5
151.00356	12.9
151.04102	0.6
155.03592	0.7
161.02412	1.1
161.04520	1.3
164.01170	0.7
173.04524	8.0
177.01900	3.1
178.02756	1.0
187.07768	0.7
189.01979	0.8
189.64958	0.5
191.01993	3.4
191.05586	2.8
197.23982	0.6
211.07704	0.9
213.05617	2.1
227.07051	0.5
232.88739	0.5
251.90851	0.6
255.06586	37.3
256.06992	1.6
269.08401	0.6
297.07718	1.3
417.11853	47.3
418.12073	3.4
449.14520	7.5
479.32004	3.2
480.26477	4.7
480.32578	1.3
481.16980	4.6
481.28149	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.2241
Annotation	Unknow
Peak:m/z	Relative Intensity
54.00317	30.3
57.21389	27.9
59.01447	33.1
66.97279	32.5
70.57923	100.0
96.95980	31.7
100.31178	28.8
106.81625	29.3
111.04557	73.0
168.98112	30.2
356.56174	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	478.1561
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	0.5
55.02299	0.3
57.03431	0.6
58.00599	2.0
59.01375	37.9
61.98828	18.1
71.01376	30.2
71.60426	0.4
72.01706	0.5
72.99302	2.3
73.02924	0.9
75.00872	4.3
76.01229	0.4
78.95888	0.5
83.01408	0.6
85.02938	4.6
87.00869	2.7
89.02437	41.2
90.02769	0.7
93.03455	0.4
95.01367	2.0
96.12418	0.4
99.00948	0.5
101.02431	16.6
113.02438	12.3
115.00355	0.9
116.36151	0.4
119.02636	0.9
119.03491	14.1
120.03851	0.4
131.03477	1.7
133.01445	0.4
135.02985	11.1
135.04521	3.1
135.92084	8.6
136.03302	3.2
140.87767	0.5
143.03485	2.8
147.02994	0.7
149.04530	1.4
160.67390	0.4
161.04549	3.3
165.02913	0.5
165.04175	6.1
179.05597	17.1
191.05588	2.7
204.06728	0.5
234.85555	0.5
237.47495	0.4
292.67957	0.4
327.13486	0.5
341.10843	100.0
342.07281	0.4
342.11224	6.4
345.14536	1.0
478.13953	0.4
478.20847	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.3218
Annotation	Unknow
Peak:m/z	Relative Intensity
53.21288	0.8
53.39280	0.9
54.31003	0.7
60.44907	0.8
61.64849	0.9
69.82745	0.8
71.18898	1.1
78.78720	0.8
137.09741	7.9
149.27655	0.8
155.10767	100.0
156.11137	1.5
171.10262	17.8
181.08623	2.2
191.05569	0.9
199.09737	48.2
200.10068	2.1
217.10785	74.9
218.11063	3.4
247.07881	1.0
277.21698	35.1
278.21970	1.9
281.24731	0.9
335.75681	1.0
477.32086	28.9
478.32516	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	477.2702
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01891	0.4
57.03439	0.6
59.01376	100.0
59.77129	0.4
60.01698	0.4
61.98835	0.5
69.03461	0.6
71.01379	6.0
72.99308	0.4
73.02586	0.3
73.02930	1.8
83.01396	0.6
85.02958	2.5
87.00890	0.4
88.02007	0.4
88.98798	0.4
89.02451	2.0
93.03456	0.4
93.82045	0.3
95.01405	0.4
96.44115	0.3
96.96005	0.5
99.00903	1.0
101.02436	4.3
108.02193	1.1
109.02959	1.4
113.02438	3.5
119.03504	0.6
119.05086	0.3
123.04526	0.5
125.02450	0.5
127.00381	1.1
133.02971	1.2
135.04507	2.8
137.05956	0.4
152.01151	1.2
153.01956	1.5
161.02464	4.0
161.04532	5.8
164.59805	0.4
173.04588	0.8
179.03506	1.5
191.05624	2.0
197.11795	5.4
209.04402	0.4
229.05013	0.4
239.06828	0.5
241.10797	0.5
253.09177	0.4
297.06314	0.9
315.07172	0.8
319.19086	0.8
323.07706	0.5
357.10052	0.9
387.10822	0.5
417.24890	15.3
418.25616	1.1
460.12817	0.7
461.24158	1.1
477.09824	2.9
477.20120	6.8
477.27301	4.5
478.20349	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.1974
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01889	0.5
57.03444	1.0
59.01378	15.7
61.88903	0.5
61.98828	2.3
62.02912	0.5
69.03452	2.0
71.01376	7.6
71.05022	1.6
72.99303	1.6
73.02940	1.8
74.02470	2.0
76.96895	0.5
79.95741	1.3
80.96497	0.5
83.01390	0.9
83.05022	0.7
85.02954	2.7
86.25131	0.5
87.00875	0.9
89.02442	4.3
93.03469	1.2
95.01382	0.6
96.96018	8.1
97.06570	0.9
98.20738	1.2
99.00864	1.4
101.02448	4.7
109.02972	1.2
111.04523	0.6
113.02475	2.7
119.03484	1.1
122.03712	0.6
123.04531	0.9
123.08192	1.0
125.02467	1.3
125.09715	1.8
127.00436	0.6
133.02881	1.2
134.03735	1.2
135.02975	0.5
135.04578	1.4
137.02435	1.0
142.69646	0.5
149.04575	1.0
149.06081	1.4
151.03960	0.7
151.11266	1.6
153.12828	2.2
161.02435	3.9
161.04543	2.9
161.05777	0.5
161.09669	2.0
162.03035	0.5
167.07132	0.9
173.04501	1.0
173.57295	0.5
175.04053	0.7
179.03485	1.1
179.05569	0.6
179.10762	5.7
187.04079	0.5
191.05605	5.3
192.05865	0.7
197.11813	80.8
198.12128	3.6
200.39024	0.5
205.05011	0.5
209.11746	0.7
209.15723	0.5
223.09752	1.4
239.06680	2.7
241.10809	9.4
243.53645	0.6
245.08217	0.6
253.09274	2.3
289.07162	5.5
303.21689	2.8
315.07468	0.5
326.11340	0.8
339.02249	0.5
367.60889	0.6
381.17358	1.5
397.17026	3.6
417.24835	1.2
433.20575	0.6
441.17517	1.9
459.18671	0.8
477.19711	100.0
478.13950	0.5
478.20035	7.8
478.26590	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.2702
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	0.5
59.01376	100.0
60.01714	0.7
61.98820	0.4
62.49750	0.3
62.63700	0.3
69.45566	2.4
71.01380	6.8
72.99312	0.5
73.02951	2.0
74.20764	0.3
79.95733	0.7
83.01397	1.1
85.02944	3.2
89.02434	1.8
89.83217	0.2
93.03466	0.5
95.01414	0.7
96.95999	3.3
97.02968	0.4
99.00919	0.7
101.02441	5.1
109.02937	0.7
111.00849	0.3
112.99176	0.3
113.02441	3.5
119.03512	0.5
119.05039	0.5
121.02943	0.3
123.04523	0.4
124.01707	0.4
125.02459	1.0
134.03851	0.3
135.04543	1.1
137.02455	0.4
143.03514	0.7
151.00395	0.8
159.03023	0.8
160.33601	0.3
161.02434	0.8
161.04550	7.3
161.05870	0.5
163.03957	0.3
165.01920	0.5
168.00613	1.3
169.31158	0.3
179.03535	0.9
191.05653	0.5
197.49446	0.3
203.07263	0.3
225.80699	0.3
231.06972	3.6
231.57135	0.7
239.06702	5.2
239.56909	2.0
240.06731	0.6
243.90620	0.3
271.06207	0.8
272.06567	0.8
273.06720	1.2
287.45648	0.3
289.07098	2.0
315.07446	1.1
317.17667	0.4
365.17889	1.4
417.24911	24.0
418.25256	1.8
456.29419	0.3
461.24158	1.1
477.10782	1.6
477.20438	0.6
477.26819	4.7
478.24792	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.1272
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	3.4
69.03432	0.3
69.50953	0.7
69.51364	1.5
71.01369	3.2
73.02954	0.6
78.95898	4.1
79.95734	2.6
81.03458	0.3
85.02921	0.5
89.02441	4.1
92.44718	0.3
96.96004	100.0
96.96900	7.7
97.02924	0.5
98.19856	0.6
98.75718	0.3
99.00867	0.4
101.02442	0.8
111.00881	0.3
113.02429	0.4
121.02953	1.3
125.02437	2.4
131.03479	0.6
137.02449	0.7
149.04570	0.7
153.01912	1.6
153.05597	1.2
161.04556	0.4
166.06264	0.4
168.04259	1.0
173.04646	0.5
181.01482	0.4
181.08684	0.7
182.02118	0.4
191.05583	1.4
197.04535	4.1
233.06653	1.5
239.05592	1.2
240.07603	0.5
247.06477	0.9
286.79535	0.3
293.08737	1.4
299.07538	0.4
477.10141	0.5
477.16269	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	476.2777
Annotation	LysoPE(0:0/18:2(9Z,12Z))
Peak:m/z	Relative Intensity
51.20598	0.3
60.27612	0.3
61.22323	0.3
62.96402	0.3
69.74134	0.7
69.74523	0.6
78.95897	100.0
94.93221	0.3
96.96956	8.8
109.75967	0.3
117.92690	0.3
121.67139	0.3
127.33321	0.3
140.01227	0.3
150.98007	0.4
152.99571	16.9
171.00620	19.3
214.04832	0.3
402.24179	1.9
476.27762	65.7
477.28174	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	477.1035
Annotation	Dracunculifoside B
Peak:m/z	Relative Intensity
59.01371	1.8
61.98813	0.8
69.13498	0.4
69.50317	2.7
69.50726	0.6
71.01373	2.5
73.02941	0.4
73.97956	0.4
78.11868	0.4
79.01924	0.4
81.03452	0.7
85.02956	1.6
93.03433	0.7
95.01373	0.9
98.20679	0.9
101.02456	1.5
105.03472	0.4
107.01358	0.5
108.02168	38.1
109.02954	27.6
109.03535	0.3
110.03284	0.6
113.02445	1.4
117.03454	0.5
121.02944	1.0
123.00913	0.7
123.04496	0.9
132.02148	1.0
133.02957	18.6
134.03358	0.6
135.00938	0.7
135.04527	9.1
137.02475	0.5
149.06064	0.6
151.03996	2.0
152.01141	54.3
153.01935	27.4
153.11768	0.4
154.02216	0.5
161.02437	48.3
162.02730	1.5
163.03996	1.6
165.01875	1.5
177.05505	0.7
179.03459	4.2
191.05693	0.5
197.11826	1.0
221.04500	0.9
223.80579	0.4
225.04012	0.5
235.15218	0.4
251.74757	0.4
315.07196	42.3
316.07599	2.2
323.07739	1.9
433.11362	2.6
459.08990	0.5
477.10324	100.0
478.03650	0.5
478.10660	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	476.2778
Annotation	LysoPE(18:2w6/0:0)
Peak:m/z	Relative Intensity
57.84001	0.1
59.01355	0.4
59.50795	0.1
60.83658	0.1
61.98827	0.2
71.45320	0.3
78.68042	0.1
78.95898	5.8
83.59191	0.2
89.83274	0.1
122.00106	0.2
134.24916	0.1
135.84644	0.2
137.39519	0.2
140.01181	2.1
140.11838	0.1
152.99553	0.7
160.84161	0.2
171.00711	0.2
196.03770	1.0
202.78441	0.1
214.04843	2.8
250.38666	0.2
261.22171	0.4
279.23251	100.0
280.23596	6.6
312.55478	0.1
334.94913	0.1
476.27783	12.1
477.27893	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.291
Annotation	Unknow
Peak:m/z	Relative Intensity
54.56592	1.3
57.03443	13.8
59.01368	5.2
61.98833	1.5
67.28168	1.4
71.01392	3.7
71.61522	1.4
72.99279	1.6
83.01398	2.0
84.02164	2.1
85.02945	100.0
86.03267	1.7
103.00385	1.5
111.00871	4.4
123.09746	1.4
129.01935	14.1
147.02980	13.0
173.00877	2.5
191.01962	47.2
209.02905	1.7
217.46321	1.3
255.81343	1.3
283.26279	2.4
475.29315	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.2545
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	0.4
57.03460	0.6
58.00599	1.2
58.29522	0.2
59.01376	100.0
60.01711	0.8
60.99297	0.2
61.98832	0.4
64.72386	0.3
67.01890	0.3
69.03452	0.4
69.36945	2.4
71.01377	16.8
71.04993	0.3
72.99311	1.0
73.02943	7.1
73.45990	0.2
75.00862	0.3
81.03478	0.4
82.41348	0.3
83.01382	2.9
85.02946	4.6
87.00876	1.9
87.04516	0.6
88.98820	1.3
89.02439	16.1
93.03462	0.7
95.00873	0.3
95.01364	1.4
96.95982	1.3
97.02967	0.5
99.00898	0.7
101.02438	13.7
101.06071	0.6
102.02757	0.3
107.05025	2.5
109.02971	0.5
111.00931	0.5
113.02442	9.8
119.03496	6.5
119.04951	0.3
125.02470	1.0
127.79764	0.3
131.03496	1.8
131.04399	0.4
133.02957	0.7
135.04564	0.4
137.02504	0.3
143.03477	2.6
147.11778	0.5
149.04529	1.6
151.04005	3.7
155.03535	0.5
161.02440	2.8
161.04529	3.9
170.36388	0.3
173.04530	0.7
179.03482	0.4
179.05595	5.3
185.06067	0.3
191.05623	2.1
221.06650	0.4
227.07187	0.5
231.57233	0.4
253.05067	0.6
271.06027	1.4
313.09335	0.9
323.07870	0.9
327.18213	0.7
355.21246	0.9
365.17996	0.9
367.21442	0.3
376.05875	0.3
379.21152	0.4
397.22485	0.3
415.23370	4.3
433.24567	2.1
475.12326	0.9
487.12411	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.1816
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00591	3.0
59.01375	96.3
59.26718	1.2
61.98826	23.9
64.19054	1.1
69.03465	1.3
69.28414	11.0
70.02953	1.8
71.01379	53.1
72.99297	3.9
73.02943	18.6
76.57285	1.2
78.95907	1.3
79.95757	2.2
81.03450	1.3
83.01393	2.3
85.02936	9.2
87.00901	6.4
88.98820	3.3
89.02437	100.0
90.02795	2.4
93.03426	2.1
95.01385	1.8
96.32571	1.2
96.95992	10.1
97.02937	2.6
98.19827	2.9
99.00872	27.4
99.59908	1.2
100.80993	1.1
101.02434	42.1
105.82149	1.3
109.02935	1.3
113.02451	13.3
114.01962	8.9
118.87904	1.4
119.03500	7.7
125.02480	6.8
131.03517	14.7
133.02943	3.4
135.04553	3.2
137.02466	2.5
143.03459	2.9
145.06313	1.4
149.04541	66.8
161.02431	18.2
161.04488	8.6
173.04526	5.0
179.05574	5.7
191.05588	24.6
221.06641	5.5
251.07767	8.9
292.46432	1.3
293.08948	2.1
306.33853	1.3
311.09906	1.9
320.40546	1.4
328.19122	8.4
413.14429	17.6
415.16061	57.8
415.23108	4.4
416.16388	4.1
431.19046	1.7
434.27744	1.4
475.08795	2.0
475.16687	3.3
475.24469	10.3
486.37582	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.1818
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	2.3
57.03440	1.9
57.44491	0.5
59.01374	46.3
69.03442	1.0
71.01376	38.2
72.99294	1.3
73.02939	19.0
81.03465	1.1
83.01380	13.5
85.02947	20.3
85.84367	0.7
87.00877	1.5
89.02450	5.3
93.03475	0.9
94.02998	0.6
95.01370	2.6
96.95997	2.4
97.02931	1.6
99.00874	6.6
101.02433	36.9
103.03998	3.2
113.02444	17.2
119.03492	1.9
119.05007	1.5
125.02451	4.6
129.01985	1.1
143.03503	2.3
145.02954	0.8
145.06140	1.3
159.02975	3.9
161.04543	20.5
163.04028	2.7
163.06090	2.1
173.04506	1.0
191.05582	2.3
247.08148	1.9
269.10306	58.0
270.10706	2.7
288.30682	0.7
313.07147	1.9
346.20236	3.0
415.16052	100.0
416.16458	7.6
475.24271	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	475.1455
Annotation	Erythroxyloside A
Peak:m/z	Relative Intensity
53.47680	0.5
59.01375	17.5
71.01373	4.0
71.62088	0.9
72.20385	0.4
72.99315	2.0
73.02942	1.0
75.00817	0.5
79.82920	0.5
81.62151	0.5
85.02940	0.6
88.98850	0.6
89.02437	1.8
93.03471	1.0
95.05058	0.6
96.96003	1.8
99.00875	1.7
101.02419	0.9
107.05034	0.8
109.02946	7.3
109.06595	4.1
113.02442	0.7
119.05007	4.7
121.02958	7.4
122.03706	1.0
123.04494	0.6
125.02435	0.7
134.53546	0.5
135.04518	9.5
137.06076	37.1
147.04514	1.4
147.71146	0.5
149.02425	0.5
151.03964	1.0
159.04485	0.7
161.02452	0.6
173.04460	0.7
180.12819	0.5
181.05049	100.0
182.05371	2.5
191.05560	1.8
196.88918	0.5
213.49252	0.5
223.06102	2.1
247.06068	0.7
249.35327	0.6
269.08243	0.9
289.07123	0.7
313.07303	1.3
325.09277	1.4
343.10349	6.0
475.14511	97.0
476.14929	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	475.1455
Annotation	Unknow
Peak:m/z	Relative Intensity
53.47680	0.5
59.01375	17.5
71.01373	4.0
71.62088	0.9
72.20385	0.4
72.99315	2.0
73.02942	1.0
75.00817	0.5
79.82920	0.5
81.62151	0.5
85.02940	0.6
88.98850	0.6
89.02437	1.8
93.03471	1.0
95.05058	0.6
96.96003	1.8
99.00875	1.7
101.02419	0.9
107.05034	0.8
109.02946	7.3
109.06595	4.1
113.02442	0.7
119.05007	4.7
121.02958	7.4
122.03706	1.0
123.04494	0.6
125.02435	0.7
134.53546	0.5
135.04518	9.5
137.06076	37.1
147.04514	1.4
147.71146	0.5
149.02425	0.5
151.03964	1.0
159.04485	0.7
161.02452	0.6
173.04460	0.7
180.12819	0.5
181.05049	100.0
182.05371	2.5
191.05560	1.8
196.88918	0.5
213.49252	0.5
223.06102	2.1
247.06068	0.7
249.35327	0.6
269.08243	0.9
289.07123	0.7
313.07303	1.3
325.09277	1.4
343.10349	6.0
475.14511	97.0
476.14929	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	475.1452
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	7.3
71.01373	4.6
83.01307	0.4
85.02935	1.2
89.02444	4.1
93.03441	0.4
96.96005	1.4
98.95602	0.6
101.02433	3.2
105.03434	0.5
107.04997	0.4
109.02929	0.6
113.02444	1.0
117.03490	0.9
119.03494	1.7
123.04525	3.8
132.02179	1.0
133.02954	28.8
134.03656	0.6
135.04520	17.8
136.04820	1.6
137.02461	1.1
137.05049	0.9
137.06082	1.2
149.02429	2.0
149.06053	0.8
151.03975	0.9
151.06094	1.8
153.01985	0.6
161.02435	100.0
162.02788	3.1
163.04005	0.6
165.05554	0.7
167.03502	1.4
168.92456	0.4
177.05592	1.2
179.03488	15.5
180.03824	1.3
181.05064	1.7
191.05620	1.9
221.04526	1.3
222.71664	0.5
251.05743	1.0
281.06671	2.5
310.90311	0.5
313.09125	2.0
324.01434	0.4
329.48288	0.4
341.08661	0.7
343.09338	0.5
378.18994	0.9
384.87488	0.5
465.68048	0.5
475.14474	87.3
476.08807	0.4
476.14838	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	475.124
Annotation	Unknow
Peak:m/z	Relative Intensity
54.42926	0.8
57.75961	0.9
59.01098	1.5
59.01375	22.2
60.99303	1.4
64.03046	0.8
70.85973	0.7
71.01370	10.2
71.62002	1.1
72.99293	0.9
73.02932	2.3
75.90754	0.8
79.95720	4.5
83.01396	0.8
85.02937	4.3
87.00866	1.9
88.98803	9.9
89.02428	4.2
93.03445	3.6
95.01391	1.5
95.95235	1.8
96.96006	11.0
99.00898	1.2
101.02436	4.9
107.05022	14.7
107.72953	0.8
113.02459	4.2
117.03425	1.2
119.03491	1.8
119.04973	2.7
133.02940	12.9
135.04512	6.8
137.02316	1.2
141.07147	1.0
143.04994	6.5
145.02917	2.1
151.00278	1.5
151.03946	2.8
157.06599	1.2
159.04396	1.0
159.08162	1.9
161.02434	42.5
161.04570	2.4
162.02739	1.3
173.04529	3.2
179.03427	3.8
182.07260	1.5
183.08125	2.6
185.06068	11.2
191.05560	7.5
192.05934	1.2
195.06699	1.4
227.07117	100.0
228.07434	5.5
231.06947	11.6
231.57118	2.2
239.06691	28.3
239.56937	5.8
240.06720	4.2
240.56705	2.5
267.07104	1.2
269.07645	1.7
271.06161	2.9
273.77469	0.9
302.91019	0.9
308.11212	0.9
313.09259	1.6
323.07751	5.9
365.17783	6.0
366.17911	1.5
399.18408	3.3
400.18607	2.3
415.23297	2.8
421.95834	1.1
431.08572	1.3
431.13452	11.3
431.18549	1.5
474.34482	1.1
475.12067	8.5
475.17950	0.9
475.29510	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	475.1244
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	1.3
59.01376	56.2
61.98829	1.3
71.01379	17.3
71.29745	0.7
71.62232	1.1
72.99293	1.0
73.02946	5.9
75.00876	0.9
79.95724	0.6
81.18693	0.7
83.01379	2.6
83.05017	0.8
85.02951	5.4
87.00874	1.4
88.98805	2.8
89.02443	10.8
91.85785	0.9
93.03460	3.6
95.01376	1.0
96.96018	5.2
99.00890	1.5
99.04507	1.0
101.02433	11.3
107.05025	11.9
109.02966	1.5
113.02463	8.1
117.03480	1.0
119.03481	3.0
123.04514	2.0
125.02424	2.7
128.03545	0.9
129.21808	0.7
131.03529	0.8
132.02191	1.3
133.02951	34.5
134.03703	0.7
135.04518	15.4
136.04866	0.9
137.02463	1.2
143.03487	1.5
149.04567	2.7
151.04018	1.7
155.03500	1.3
161.02437	100.0
161.04356	5.6
162.02777	3.6
173.04523	3.3
177.01935	1.0
177.05542	1.6
178.02788	0.8
179.03462	9.1
179.05598	2.5
191.03865	1.5
191.05585	10.3
192.05878	1.6
221.04544	1.5
224.56914	0.8
227.07123	17.3
228.07280	0.9
239.06677	2.7
248.57266	1.4
271.05951	0.9
271.19147	2.0
302.67130	0.7
303.14392	1.6
310.67520	0.8
323.07629	9.2
343.19003	0.9
345.19193	1.3
381.17508	1.3
415.23358	9.0
425.51459	0.9
431.13425	28.7
431.20020	2.2
432.13712	2.3
433.24539	4.9
457.11456	6.4
475.12378	35.2
475.24670	2.5
476.12457	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	474.2621
Annotation	Unknow
Peak:m/z	Relative Intensity
58.12415	0.4
60.87982	0.3
62.96393	0.6
69.26707	0.3
70.02137	1.2
78.65616	0.3
78.95898	100.0
96.96952	7.7
98.20608	0.5
103.36284	0.4
150.98006	0.4
152.99571	18.0
159.23181	0.4
171.00626	19.4
172.00983	0.3
194.98741	0.4
220.96680	0.4
277.21710	0.6
278.36380	0.4
400.22318	1.4
474.26202	69.5
475.26566	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	475.1242
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01098	1.2
59.01376	19.3
61.98813	1.4
67.01827	0.8
69.26237	7.5
71.01371	5.4
73.02959	1.6
79.95730	1.7
83.01409	1.5
85.02929	2.3
88.98804	4.7
89.02437	1.8
91.83768	0.7
93.03452	2.2
96.96003	10.7
101.02445	2.6
107.01385	1.3
107.05025	11.9
109.02966	0.8
113.02424	2.5
117.03455	0.7
119.03519	1.1
119.04991	4.6
123.04467	0.9
125.02435	1.1
133.02950	13.3
135.04529	6.7
138.36758	0.7
141.07053	0.9
143.03407	0.8
143.05013	9.1
145.02946	1.0
151.00362	4.4
151.04030	2.2
157.06595	1.9
159.08159	1.4
161.02435	40.8
161.04588	2.0
162.02788	1.6
173.04549	1.8
175.00301	0.9
177.01900	1.1
177.05438	0.7
179.03481	4.4
182.07364	0.8
183.08139	3.3
185.06056	11.1
191.05627	4.7
216.74574	0.7
222.66847	0.7
225.05626	0.8
227.07121	100.0
228.07468	4.7
231.06931	12.3
231.57121	3.6
232.07028	1.1
239.06711	10.5
239.56802	2.7
240.06537	1.1
240.56712	1.1
271.06116	10.5
313.09177	2.2
323.07834	4.6
365.17960	5.5
366.18271	1.8
371.10730	0.8
383.18982	0.9
389.12204	1.0
394.16251	1.1
399.18518	1.1
415.23380	2.8
416.23706	0.9
431.13486	14.2
432.13565	0.9
433.24338	1.1
475.12195	7.9
483.64182	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.2176
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	100.0
60.01706	0.7
61.98822	1.3
70.73930	0.5
70.74278	0.9
77.93893	0.4
80.61222	0.4
121.03176	0.4
121.81162	0.4
160.84148	0.4
162.83882	0.9
247.71083	0.4
472.31485	0.9
473.32211	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	473.2753
Annotation	Unknow
Peak:m/z	Relative Intensity
50.79248	0.4
55.01882	2.4
57.03446	12.2
59.01379	6.3
61.00248	0.4
61.98828	3.2
68.49386	0.4
68.99818	1.0
69.52837	0.5
71.01370	3.8
71.32199	0.7
72.99302	1.4
73.02929	0.5
75.00866	1.5
83.01385	3.0
83.76582	0.5
84.02152	2.5
85.02946	100.0
86.03279	1.4
87.00865	1.5
99.00850	0.5
103.00367	1.7
111.00867	4.2
113.95896	0.5
115.00378	0.5
129.01935	11.6
147.02988	16.0
173.00888	2.5
191.01958	48.1
192.02242	0.4
197.55069	0.4
200.83801	0.5
209.02974	1.7
259.15558	0.4
281.24869	3.3
284.98724	0.5
349.27585	0.4
413.67929	0.4
425.30322	0.6
473.26907	3.1
473.32886	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	473.1664
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03429	1.1
59.01104	1.1
59.01377	19.9
60.83924	0.8
61.98821	3.6
69.34929	2.0
69.35343	4.6
71.01381	9.6
73.02959	1.1
80.96510	1.1
85.02934	4.0
87.00867	1.2
89.02443	6.8
93.03448	2.4
94.02953	1.3
96.96006	11.3
97.02930	0.9
98.19807	0.8
99.00829	0.8
101.02440	5.7
109.02954	1.9
113.02435	3.1
117.03451	2.3
119.03484	2.1
120.46222	0.7
121.02953	1.0
121.53673	0.7
125.02467	1.1
132.02174	13.4
133.02945	2.3
134.03738	29.4
135.04474	3.0
135.06633	3.5
137.02440	2.8
139.04045	0.9
147.04498	1.3
149.06041	3.6
151.03967	1.7
158.06085	1.6
160.01646	68.9
161.02274	4.5
166.72382	0.8
173.04509	5.1
173.05936	1.6
175.03984	85.8
176.04428	4.2
177.01974	0.9
177.05496	0.8
178.02658	1.5
179.03493	3.2
179.05632	0.8
191.05585	10.7
191.07153	2.5
192.05911	1.5
193.05042	38.8
194.05348	1.5
207.06557	1.4
226.40446	0.9
235.06087	8.5
238.01782	1.6
265.07089	1.2
295.08182	2.1
296.03262	1.1
312.07144	1.2
324.02731	2.4
337.09222	1.2
353.02994	4.5
353.12268	1.2
393.21228	0.9
429.18173	0.9
473.06647	14.3
473.16577	100.0
474.07193	1.4
474.16779	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	473.1618
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02970	0.7
58.32490	0.3
59.01371	0.5
69.38092	2.5
70.02972	6.1
70.03355	0.4
71.01372	1.3
71.02498	2.7
72.00902	2.6
82.35574	0.3
88.04046	1.2
89.02439	1.0
95.02502	5.5
101.02456	0.4
111.02003	2.4
113.03564	29.4
114.01963	25.5
119.03416	0.4
131.04616	100.0
132.03044	3.1
132.04991	1.9
135.04535	0.7
147.44995	0.3
152.00842	0.3
179.03471	0.7
179.05553	0.4
191.05528	0.9
226.00912	0.4
318.12543	0.4
341.10901	2.5
343.18683	0.4
393.73346	0.3
473.13721	0.4
490.08167	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.1622
Annotation	Unknow
Peak:m/z	Relative Intensity
50.61168	0.3
57.22586	0.2
58.02967	0.8
59.01368	0.9
69.03429	0.3
70.02977	6.9
70.62055	0.8
71.01382	1.6
71.02500	2.6
72.00906	3.1
85.02946	0.5
87.04498	0.8
87.49448	0.3
88.04038	3.7
89.02452	1.0
93.03475	0.3
95.02511	6.0
96.96025	0.3
101.02451	0.3
108.02154	2.3
109.02950	0.4
111.01991	2.5
113.03571	32.2
114.01965	26.2
115.00349	0.9
115.02294	0.3
119.03455	0.4
131.04616	100.0
132.03024	14.3
132.03853	0.2
132.04999	1.6
135.04503	2.2
152.01157	1.7
153.01846	0.8
160.92679	0.4
179.03514	1.2
179.05576	0.4
191.05577	3.2
203.74164	0.3
299.07739	4.3
341.10883	2.5
353.08646	0.5
375.07047	1.0
395.45084	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.1619
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02956	0.7
59.01369	1.0
70.02969	7.3
71.01368	1.4
71.02489	1.8
71.60406	0.5
71.60765	0.3
71.81254	0.3
72.00890	2.9
88.04053	1.6
89.02438	1.0
95.02497	6.6
101.02425	0.3
111.01991	3.2
113.03563	36.3
113.96017	0.3
114.01959	29.5
115.00359	0.5
131.04613	100.0
132.03026	5.0
132.04947	1.1
191.05620	0.5
271.98373	0.3
341.10812	2.8
393.53174	0.3
486.00204	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.1294
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01366	2.8
70.73274	0.8
71.01361	2.1
71.65804	0.4
85.02962	0.5
89.02438	1.7
96.96062	0.5
99.00861	0.5
101.02446	0.6
107.05027	1.3
125.02415	0.6
133.02940	1.8
134.03711	4.6
135.04514	100.0
135.24104	0.4
136.04858	2.8
137.02425	1.3
149.06032	0.5
161.02408	0.5
173.04498	0.4
177.05559	1.8
178.02817	0.7
179.03482	80.3
180.03851	2.9
191.05670	1.9
221.04520	1.3
245.08231	0.4
247.06458	0.6
282.70050	0.4
323.07797	2.0
341.08737	6.9
342.09216	0.5
440.76584	0.5
473.12952	68.2
474.13284	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	473.1297
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	0.3
69.89249	1.7
70.17190	0.3
71.01368	0.5
81.50833	0.3
96.96006	0.6
107.05017	1.0
117.03468	0.4
118.14438	0.3
122.02454	0.4
134.03725	2.9
135.04518	100.0
136.04860	3.2
147.75566	0.3
158.97606	0.3
160.90491	0.4
161.02371	0.6
179.03484	98.9
180.03828	3.3
191.05582	1.2
222.94756	0.3
290.05338	0.4
311.07541	0.5
352.68506	0.3
364.58603	0.4
383.19370	0.5
422.72192	0.4
473.12952	25.1
474.13364	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	471.3475
Annotation	Corosolic acid
Peak:m/z	Relative Intensity
65.77426	0.2
69.46011	1.7
72.17063	0.2
75.02544	0.2
76.03642	0.2
83.50159	0.2
89.09077	0.2
96.91554	0.2
172.27135	0.2
221.15521	0.3
263.42380	0.2
407.29382	0.4
421.31015	0.3
423.32816	0.5
425.34067	0.3
471.34750	100.0
472.35104	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	471.3474
Annotation	Unknow
Peak:m/z	Relative Intensity
51.31411	0.2
53.71274	0.2
60.58002	0.2
69.09151	0.2
70.62553	0.7
71.05009	0.6
83.57610	0.2
85.02938	0.3
94.48664	0.2
133.90465	0.2
228.31084	0.2
253.55231	0.2
279.16370	0.2
393.31641	0.6
405.31668	0.4
407.32813	0.3
411.32635	0.7
427.35858	0.4
441.33710	0.5
451.31927	0.5
453.33685	7.0
454.34244	1.0
471.34738	100.0
472.35077	10.6
472.41971	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.3477
Annotation	Corosolic acid
Peak:m/z	Relative Intensity
59.01376	0.7
64.44767	0.3
71.53619	0.4
71.53997	0.5
80.02664	0.4
85.02937	0.3
180.77730	0.3
365.28485	0.4
409.31100	1.1
410.09677	0.3
425.34204	26.5
426.34537	3.1
453.33737	4.2
454.33859	0.6
469.33200	0.6
471.34738	100.0
472.35065	11.2
475.45697	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.3474
Annotation	Corosolic acid
Peak:m/z	Relative Intensity
57.46069	0.2
59.01368	0.5
61.71984	0.2
61.98828	0.3
63.88426	0.2
71.01623	0.5
75.23936	0.2
160.84178	0.4
188.79359	0.2
191.26758	0.2
244.92505	0.2
282.97067	0.2
294.57339	0.2
304.44608	0.2
324.64780	0.2
464.00861	0.2
471.34760	100.0
472.35101	12.4
472.42172	0.3
497.87875	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.3472
Annotation	Kuguacin R
Peak:m/z	Relative Intensity
54.83165	0.4
59.01290	0.7
65.57458	0.3
70.90176	0.6
101.25382	0.3
101.80789	0.3
162.83733	1.4
185.24200	0.3
195.13554	0.3
270.63989	0.4
281.92932	0.3
313.75070	0.4
393.27866	0.5
441.33688	82.9
442.29279	0.2
442.34009	9.2
471.34781	100.0
472.35083	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	471.3476
Annotation	Unknow
Peak:m/z	Relative Intensity
55.66378	0.3
59.01311	0.6
61.45602	0.3
65.24136	0.3
67.61143	0.3
69.19656	0.2
70.73324	0.6
71.04962	0.6
71.46603	0.3
97.06463	3.4
116.48182	0.3
124.85208	0.3
128.55692	0.3
148.74168	0.3
160.84149	0.4
162.83768	0.8
199.83934	0.3
233.09021	0.3
373.25153	0.4
374.25928	0.4
375.26773	0.6
389.28387	1.2
391.30136	4.2
391.42322	0.3
392.30576	0.3
405.31650	4.0
406.31808	0.5
407.33124	10.0
408.33496	1.0
422.16257	0.3
423.29071	1.0
437.30530	0.8
439.32047	0.6
441.33899	1.4
451.32117	13.1
452.32474	1.4
453.33691	49.7
454.34070	5.4
471.34760	100.0
472.05081	0.4
472.35068	11.9
485.32346	0.3
497.32880	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.3111
Annotation	Camphoratin B
Peak:m/z	Relative Intensity
51.05290	0.9
57.03454	0.9
59.01345	1.7
61.98814	1.4
69.85081	2.4
69.85473	2.3
71.05018	1.2
98.66345	1.0
109.06497	0.9
111.23209	0.9
123.36772	1.1
126.91859	1.0
127.11694	0.9
145.02950	1.0
146.34058	0.8
160.84160	2.4
207.10263	1.1
389.28271	1.4
389.48483	1.1
391.29919	9.5
411.29047	1.4
427.32199	1.1
435.28632	3.7
436.08398	1.8
441.33731	2.8
453.30011	11.1
471.30951	100.0
472.31393	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	471.2595
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	0.6
57.03444	0.9
58.00611	0.5
59.01376	100.0
60.01709	0.7
61.98835	0.8
65.47495	0.2
69.03459	0.4
69.39148	0.6
69.39569	1.2
71.01378	13.9
72.01762	0.2
72.99332	0.6
73.02944	5.1
75.00892	0.2
78.95912	0.4
83.01376	2.4
83.05017	0.3
85.02946	4.5
86.00082	0.2
87.00866	1.3
87.04512	1.3
89.02441	7.3
93.03496	0.3
95.01369	1.2
96.96027	0.9
97.02956	0.7
99.00890	0.9
101.02438	10.4
101.06071	1.2
111.00887	0.6
112.98577	0.3
113.02441	6.6
114.02798	0.3
115.03999	0.3
119.03503	2.6
119.04965	0.2
125.02443	1.7
131.03555	0.3
135.04520	0.3
137.02435	0.2
138.45676	0.2
139.03996	0.3
143.03510	2.3
148.45702	0.2
149.04546	0.4
154.20882	0.2
159.03012	0.6
159.20699	0.2
161.04547	3.0
179.05632	1.6
189.12999	0.2
191.05656	0.4
213.14879	0.4
267.19583	1.1
309.20697	0.4
309.46411	0.2
315.18216	0.5
333.19110	0.4
374.06232	0.3
393.22964	1.0
411.23871	4.9
412.24561	0.5
429.24872	5.6
429.30637	0.4
430.25458	0.5
448.63074	0.2
471.25473	0.4
471.31360	1.8
486.78790	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.3112
Annotation	Camphoratin B
Peak:m/z	Relative Intensity
50.16471	0.4
57.03440	2.3
59.01353	0.9
60.99285	0.5
61.98820	0.6
65.11569	0.4
69.68008	0.4
70.75842	0.8
70.77567	0.3
79.05515	0.3
83.04609	0.3
83.05007	3.2
97.75600	0.3
97.83498	0.4
108.86962	0.4
119.03251	0.4
123.08073	1.2
125.82697	0.4
135.08067	0.7
159.53297	0.4
211.95071	0.4
377.24731	2.7
379.69507	0.4
393.27933	22.7
394.28415	2.0
409.31064	32.5
410.31372	3.4
427.32114	7.9
428.32104	1.2
453.29938	4.7
454.30240	0.5
471.30658	100.0
472.25217	0.5
472.31073	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	471.2596
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	0.6
57.03448	0.6
58.00599	0.7
59.01376	100.0
60.01715	0.7
61.98832	0.8
67.81955	0.2
69.03447	0.7
69.39003	0.9
69.39433	0.7
71.01378	14.5
72.99310	0.9
73.02947	5.6
78.95901	0.4
81.03458	0.2
83.01382	2.4
83.05047	0.3
85.02945	4.5
86.00109	0.3
87.00870	1.3
87.04510	1.3
89.02438	7.0
93.03470	0.2
95.01381	1.0
95.62999	0.2
96.95982	0.4
97.02957	0.8
99.00869	1.0
101.02438	10.4
101.06049	1.4
111.00871	0.5
113.02445	6.3
119.03494	2.9
125.02418	1.6
129.01947	0.2
131.03526	0.7
132.03049	0.2
139.04053	0.2
143.03516	2.0
143.04524	0.3
149.04539	0.4
154.34535	0.2
159.02985	0.3
161.02551	0.3
161.04553	3.0
171.13989	0.2
179.05591	1.4
179.14484	0.2
191.05714	0.5
198.68750	0.2
207.13976	0.3
221.54059	0.2
267.19705	1.1
309.20786	0.3
315.18201	0.8
333.19345	0.4
374.06271	0.3
393.22894	0.8
411.23843	4.6
412.24356	0.6
429.24905	5.4
429.30524	0.3
430.25330	0.3
471.12000	0.3
471.25751	0.4
471.31146	1.9
472.31259	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.2595
Annotation	Unknow
Peak:m/z	Relative Intensity
50.80383	0.4
55.01871	2.2
57.03446	12.4
59.01381	5.2
59.19878	0.4
68.99809	0.6
71.01374	3.1
72.99303	0.9
73.02949	0.6
75.00857	0.8
80.28642	0.4
83.01389	2.7
84.02161	2.9
84.67834	0.4
85.02944	100.0
86.03274	1.2
86.16277	0.4
87.00881	1.0
92.45564	0.4
101.02417	0.6
103.00344	2.1
111.00882	3.9
119.69671	0.4
129.01938	11.2
147.02988	11.7
173.00923	2.3
191.01956	40.0
192.02293	1.1
209.03024	1.9
255.96785	0.5
279.23233	2.6
280.49030	0.5
347.25775	0.5
436.43777	0.5
458.10483	0.5
471.26367	2.9
471.34720	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	471.2592
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	1.8
57.03443	11.6
59.01373	7.4
69.95219	1.6
69.95612	1.3
71.01374	2.5
72.99305	1.0
75.00879	1.3
83.01376	2.4
84.02169	2.6
85.02946	100.0
86.03287	1.7
87.00882	1.5
99.00911	0.7
103.00370	1.8
111.00881	4.3
115.00313	0.7
129.01929	10.9
135.78561	0.6
147.02988	12.7
173.00928	2.5
191.01959	41.9
192.02338	0.8
209.03064	2.0
279.23184	3.3
290.33606	0.8
423.28937	0.8
453.25064	0.7
453.33801	1.5
471.25717	2.2
471.35080	13.3
472.34851	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	471.1136
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01364	0.4
61.98814	0.5
66.49867	0.1
69.44258	1.2
70.63970	0.2
71.01385	0.3
81.03456	0.5
81.29225	0.2
85.02943	0.4
87.00880	0.3
89.03964	2.2
93.03436	0.3
96.79047	0.1
96.96014	0.5
99.92619	0.2
104.02669	0.4
105.03459	3.0
109.02948	0.2
113.02425	0.4
116.92853	1.3
121.02943	0.2
133.02954	9.2
133.06599	0.9
134.03304	0.2
148.01625	0.5
149.02434	1.0
159.04546	0.3
176.01176	1.2
177.01918	100.0
178.02260	3.2
191.05576	1.3
199.35361	0.2
246.04918	0.2
247.06352	0.2
267.07227	0.6
345.38776	0.2
361.37808	0.2
459.16278	0.2
471.11365	18.8
472.11603	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	471.1138
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	4.2
57.03444	1.1
59.01378	12.0
60.75553	0.6
61.98808	1.5
67.01874	0.8
70.35697	2.5
71.01378	18.9
72.99300	3.7
73.02951	1.4
75.00873	9.1
79.95783	1.5
81.19249	0.6
85.02947	16.8
87.00865	6.1
89.02442	5.6
91.03975	1.1
93.01742	0.7
93.03452	1.9
95.01373	3.6
96.96004	7.4
98.20603	0.9
99.00890	6.2
101.02432	1.9
104.18790	0.7
109.02947	1.1
113.02440	17.2
115.00352	0.9
115.05512	4.5
116.64622	0.8
117.01948	1.7
121.02946	1.0
125.02415	1.0
128.14001	0.8
129.01920	1.1
131.05037	5.0
133.06589	63.0
134.06915	1.8
137.02374	1.1
147.04523	1.0
151.03932	0.8
157.01381	0.9
157.15962	0.7
158.03720	3.1
159.04498	21.2
160.04877	1.3
161.02420	2.4
167.03493	0.9
173.04485	1.2
175.02414	2.0
175.03867	1.3
177.01950	3.3
177.05582	5.9
185.02438	4.7
191.05612	5.1
191.07152	1.0
203.03462	11.0
221.04552	5.0
240.07483	11.8
240.57451	1.7
249.06087	5.1
267.07181	36.6
268.07651	1.3
277.07120	1.2
284.93427	0.7
295.08215	6.9
298.08594	0.8
313.10709	2.5
383.18970	3.8
384.19122	1.0
411.18845	4.3
427.11990	2.0
453.10449	2.0
471.11331	100.0
472.11752	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	469.3319
Annotation	18alpha-GLYCYRRHETINIC ACID
Peak:m/z	Relative Intensity
71.61974	1.0
78.95875	2.0
85.02921	1.1
88.15412	0.7
91.44562	0.7
255.23286	5.6
302.74957	0.7
353.28394	2.4
451.24765	1.9
469.33176	100.0
470.33597	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	469.3319
Annotation	11-Keto-beta-boswellic acid
Peak:m/z	Relative Intensity
52.20247	0.7
55.38918	0.7
59.01365	1.1
59.13818	0.8
59.95657	0.7
61.98830	1.1
62.44902	0.8
66.50578	0.7
66.92850	0.7
71.31840	1.7
79.95801	0.8
85.02917	2.1
99.04492	1.0
102.16926	0.8
103.14465	1.0
130.34213	0.7
229.10265	0.7
241.21796	1.8
351.26642	1.0
353.28406	2.5
425.34409	1.1
439.32120	81.7
440.32523	8.9
451.32147	2.9
469.33148	100.0
470.33575	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	469.3319
Annotation	Lantic acid
Peak:m/z	Relative Intensity
57.03435	0.9
59.01364	0.6
61.98836	0.3
70.98745	0.6
70.99088	0.4
74.74651	0.2
76.19263	0.3
78.79556	0.3
83.01381	0.3
85.02940	6.2
104.29076	0.3
111.00833	0.3
129.01933	0.9
135.96947	0.3
147.02979	0.7
155.99992	0.3
159.28700	0.2
166.31528	0.3
191.01974	2.5
273.18509	0.3
289.21719	2.7
290.21994	0.3
379.97540	0.3
391.30032	0.3
393.28006	2.1
407.29373	2.5
409.30981	2.6
421.31161	0.5
423.32635	65.4
424.32959	7.5
425.34473	1.2
469.33151	100.0
470.33508	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	469.3316
Annotation	18alpha-GLYCYRRHETINIC ACID
Peak:m/z	Relative Intensity
55.48915	0.6
61.98809	0.8
64.24006	0.7
71.01363	3.3
78.95897	1.3
85.02930	1.0
99.00841	0.9
114.81504	0.6
115.96283	0.8
166.78532	0.8
255.23296	3.4
276.02551	0.6
317.80746	0.7
339.26724	0.9
355.30087	0.9
391.30005	1.1
397.31241	0.8
399.92392	0.8
407.33234	7.8
408.33395	1.1
425.33942	0.8
439.31961	1.8
451.24411	1.3
451.32111	1.6
469.33173	100.0
470.33398	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	469.332
Annotation	ENOXOLONE
Peak:m/z	Relative Intensity
51.93991	1.0
60.54594	1.1
67.27843	1.0
70.56136	2.5
70.56524	3.2
86.81985	1.3
94.00566	1.3
164.07330	1.2
311.29828	1.2
405.68185	1.2
423.32672	4.9
425.34204	81.3
426.34390	6.9
469.33179	100.0
470.33466	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	469.3318
Annotation	18alpha-GLYCYRRHETINIC ACID
Peak:m/z	Relative Intensity
51.76261	0.3
61.98807	0.6
64.65140	0.2
69.36987	0.7
69.37395	1.8
77.11717	0.3
82.79354	0.3
83.04617	0.4
83.05022	3.8
85.80119	0.3
97.06580	0.6
102.41467	0.3
136.00420	0.3
145.02917	0.6
160.84232	1.7
186.69243	0.3
254.69534	0.3
283.50568	0.4
339.26773	0.6
371.23798	0.4
391.30295	0.5
397.31036	0.8
405.31653	1.2
409.31000	0.4
421.31345	0.4
439.32233	2.3
449.30832	0.5
451.32150	8.3
452.32358	0.9
469.33185	100.0
470.04132	0.4
470.33554	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	469.244
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	2.0
56.33815	0.5
57.03445	11.8
59.01381	4.7
59.02536	0.6
61.98820	1.4
68.99834	0.9
69.29362	5.3
71.01378	2.6
72.99304	1.3
73.02952	0.8
74.35571	0.5
75.00877	1.3
83.01390	2.4
84.02148	2.9
85.02948	100.0
86.03282	1.2
87.00864	1.0
88.22711	0.6
89.02404	0.6
99.00867	0.6
101.02457	0.7
101.65577	0.6
103.00354	1.6
111.00880	5.6
116.41296	0.6
129.01936	11.8
147.02992	14.3
160.71864	0.5
173.00914	2.0
191.01968	42.1
192.02303	0.8
209.03008	1.8
277.21738	2.3
456.10025	0.6
469.24646	1.3
469.33231	24.3
470.33597	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	469.2438
Annotation	Unknow
Peak:m/z	Relative Intensity
51.63308	0.4
55.01875	2.1
57.03444	12.3
59.01381	6.3
61.98835	0.5
65.72292	0.4
68.99803	0.8
70.93359	1.2
71.01371	3.0
71.20477	0.4
72.99302	0.9
75.00866	0.9
83.01393	3.1
84.02164	3.0
85.02948	100.0
86.03289	1.3
87.00874	1.9
101.02450	0.4
103.00362	1.7
111.00886	4.6
115.00361	0.6
115.99310	0.4
129.01938	10.9
136.77063	0.5
139.34592	0.4
147.02982	15.1
173.00880	3.2
174.98526	0.5
184.84297	0.4
191.01964	43.9
192.02263	0.6
204.01874	0.4
209.02979	2.9
211.38431	0.5
226.93062	0.5
277.21625	2.5
345.24506	0.7
469.24527	2.6
469.33237	12.3
470.33551	1.2
473.88077	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.1191
Annotation	Shogasulfonic acid D
Peak:m/z	Relative Intensity
50.50159	0.4
54.22190	0.4
55.82161	0.4
59.01375	1.2
67.01891	1.3
69.32523	0.8
69.32932	3.2
71.01367	1.3
75.20704	0.4
79.95735	46.8
80.96533	0.4
83.05008	0.7
85.02953	0.7
87.00867	1.2
93.03457	6.7
94.03806	1.2
95.95226	14.3
96.96006	100.0
97.95926	0.6
101.02415	0.5
109.02915	0.6
110.97574	5.9
111.04529	1.0
121.02982	0.4
133.02925	1.1
134.03769	2.5
135.04549	5.3
137.02425	1.4
141.95752	1.4
149.99911	1.6
152.00964	0.5
161.02438	2.3
163.03998	0.7
167.03416	0.8
173.04549	5.1
174.04857	1.5
175.00415	0.6
175.05011	1.9
177.05637	0.5
178.02682	1.7
179.03500	4.3
190.02667	1.4
191.05617	2.8
192.04269	0.5
192.05989	0.8
193.04999	0.7
205.05022	1.7
207.06609	0.6
208.07394	0.6
219.16222	0.5
233.04822	0.5
247.35706	0.4
273.04315	0.8
289.03888	1.3
289.07166	3.3
290.07333	0.6
295.10870	0.8
351.91879	0.4
439.07086	0.5
451.15240	1.9
454.09296	2.6
468.64410	0.6
469.11603	94.7
470.12021	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	469.1177
Annotation	Lysidicichin
Peak:m/z	Relative Intensity
51.33503	0.5
57.03407	0.6
57.79375	0.6
59.01381	3.7
59.11553	0.6
60.99300	0.6
61.98834	1.5
62.93492	0.5
67.01918	1.3
69.03462	0.6
69.60928	1.0
69.61342	3.5
71.01389	2.1
72.99309	1.4
73.02947	0.8
73.05724	0.5
74.62074	0.6
79.95736	47.5
81.03461	0.8
82.95423	0.6
83.01390	1.8
85.02942	3.5
86.03297	0.7
87.00880	1.9
93.03452	10.3
94.03796	2.7
95.95230	0.9
96.96006	100.0
97.02918	1.3
97.29563	0.5
107.05035	0.9
108.00373	1.2
109.02962	4.0
110.97575	18.2
110.99102	2.6
111.04509	1.9
112.04794	0.6
115.87749	0.6
120.01234	2.4
121.02961	1.4
122.03763	0.6
122.97501	0.5
123.04532	3.5
123.99908	3.0
125.02419	2.5
132.24542	0.7
133.02907	2.8
133.05096	1.5
134.03764	2.7
134.04706	0.6
135.04523	22.6
136.04912	1.1
137.02454	4.7
139.04013	0.7
141.95802	3.3
149.02397	2.2
151.03923	2.7
151.99384	8.3
155.03488	0.8
159.04500	1.7
160.04831	0.5
161.02417	8.5
161.06139	1.4
163.04034	0.9
164.01259	0.7
165.01926	2.5
173.04553	9.6
173.05981	1.3
174.03477	0.7
174.04848	3.6
175.03894	2.0
175.05046	2.4
175.07613	1.1
177.05617	0.8
179.03481	7.1
181.01421	1.0
181.60822	0.6
183.72020	0.7
187.04108	0.6
187.07608	2.0
188.07898	1.1
189.05646	0.8
189.09079	0.5
191.05595	27.4
192.05945	12.5
193.06085	13.5
201.05518	0.6
202.06291	1.4
203.07056	2.3
203.10872	0.6
205.05057	2.3
213.09312	1.3
214.09489	0.8
215.09583	0.6
231.10205	2.1
232.10573	1.3
242.51611	0.6
243.04822	28.8
244.05139	1.9
245.08200	1.9
247.06293	1.1
257.08151	2.6
258.08469	1.4
259.02808	0.7
259.08627	2.7
271.06271	0.7
275.09036	1.4
276.09610	1.1
277.09766	0.9
289.07129	4.6
294.10684	1.0
295.10931	1.8
296.06885	0.7
297.07486	0.7
311.09286	1.1
328.09442	1.3
329.10315	2.2
331.07977	1.2
333.06058	0.9
343.11960	3.0
359.11276	0.8
369.21970	0.7
374.13452	1.0
423.07379	1.1
425.12329	4.2
433.11261	4.3
451.10019	2.4
451.15182	7.6
454.09210	1.4
469.11600	87.6
470.11813	8.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.1151
Annotation	Lysidicichin
Peak:m/z	Relative Intensity
55.17353	1.6
57.03440	2.4
58.27832	1.5
59.01386	12.2
61.98814	6.4
62.81393	1.6
66.01602	1.7
67.01882	6.6
71.01370	7.4
71.61752	2.7
72.08124	1.6
76.93743	2.2
79.95737	46.2
81.03468	3.0
83.01369	2.6
83.05029	2.0
85.02941	8.5
87.00862	8.2
89.02427	2.1
93.03451	33.9
94.03783	10.0
95.05030	2.3
95.86546	2.0
96.96005	93.3
97.02926	3.4
101.02415	2.7
107.05047	3.1
107.67401	1.9
109.02980	15.3
110.97587	13.3
111.04492	5.1
112.65951	1.7
113.02394	2.3
113.04903	2.3
121.02946	3.0
122.03688	3.9
123.04508	6.1
123.99847	3.8
125.02415	6.0
127.03983	2.7
128.79065	1.8
133.02969	14.0
133.05038	6.1
134.03709	8.2
135.04518	88.0
136.04839	2.7
137.02467	19.0
138.02835	2.0
139.03943	2.7
141.95819	1.9
149.02376	3.1
151.04012	10.9
151.99342	7.2
155.03398	2.0
159.04483	2.1
161.02432	46.4
161.04494	2.2
161.06076	2.8
163.03987	2.8
165.01930	9.7
173.04558	34.2
173.06015	3.4
174.04881	12.8
175.03912	5.8
175.05132	5.2
175.07555	2.7
179.03459	29.7
187.03870	2.9
187.07585	6.3
188.07993	3.0
191.05603	73.5
191.07341	3.5
192.04276	2.3
192.05940	32.5
193.04648	2.7
193.06091	41.0
202.06439	2.6
203.03473	3.0
203.07056	5.9
205.04984	4.6
223.86092	1.7
231.10146	4.4
233.04520	2.2
233.10898	2.2
243.04817	24.7
245.08121	5.3
247.06110	2.8
257.08148	6.5
258.08417	5.7
259.08694	5.4
275.09250	2.8
276.09344	2.3
277.09824	5.4
289.07187	22.1
293.10300	3.6
294.10669	2.9
295.10776	3.3
307.10022	2.4
311.09039	2.2
328.09174	2.0
329.10223	2.5
331.08215	7.3
343.11551	2.6
425.12393	4.3
433.11359	30.7
451.09924	12.3
451.15195	27.9
454.09296	2.1
469.11478	100.0
469.22330	2.7
470.11713	8.9
470.17661	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	469.0661
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	0.9
61.98811	0.6
67.01877	0.8
69.03448	0.3
71.01370	1.2
72.99310	1.3
73.02943	0.3
75.00856	0.6
79.95741	3.4
83.05035	0.3
85.02942	1.7
87.00861	1.0
88.98793	0.3
89.02473	0.3
93.03455	4.7
94.03791	0.8
96.96004	100.0
99.00890	0.4
108.02150	0.3
109.02930	0.8
111.04520	1.0
113.02483	0.5
114.93420	0.6
119.05071	0.4
121.02949	1.7
133.05043	0.8
135.04492	0.7
137.02405	1.2
140.04900	0.3
147.76254	0.3
148.04999	0.3
155.03490	0.5
159.04382	0.3
161.02444	1.1
173.04555	5.0
173.06021	0.5
174.04898	1.4
175.05038	0.9
175.07440	0.3
176.04764	0.4
177.09216	1.1
178.09552	0.8
187.07695	1.3
188.07957	1.0
189.08307	0.4
191.05589	10.3
192.05951	4.8
193.06064	2.8
202.06239	0.4
203.06769	0.4
205.05078	0.4
205.08690	0.7
206.08910	0.7
207.09125	0.4
231.10201	1.0
232.10587	1.0
233.04456	0.5
233.10669	0.4
249.06085	1.6
249.11296	1.3
250.11682	1.7
251.11856	1.2
275.09320	1.0
276.09647	1.6
277.09924	1.2
293.10297	0.5
294.10590	1.4
295.10806	1.1
371.09790	3.0
388.86673	0.3
450.15060	0.5
451.15247	0.6
468.15833	3.4
469.16394	8.2
469.33682	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.119
Annotation	Catechin-4-ol 3-O-beta-D-glycopyranoside
Peak:m/z	Relative Intensity
57.03440	8.8
57.89171	0.8
59.01376	2.1
61.98834	3.7
67.01885	1.0
67.05342	0.8
67.19583	0.7
69.03455	0.8
71.01382	1.0
71.15548	0.9
73.15739	0.6
81.03466	2.1
83.01383	7.8
83.05053	0.7
93.03446	5.5
96.95998	15.5
97.02953	1.3
105.03503	0.9
107.05047	1.1
108.02167	1.1
109.02939	23.7
117.03496	1.0
121.00942	0.8
121.02940	12.9
121.03714	0.5
123.04505	2.3
125.02437	100.0
126.02763	2.1
133.02936	6.0
135.04497	1.8
137.02432	20.4
139.03984	3.8
149.02441	5.4
151.04002	4.7
159.04509	2.0
160.01575	1.0
161.02431	65.4
162.02795	2.0
163.00331	2.4
164.01147	5.1
165.01906	13.4
167.03481	6.7
168.38593	0.7
175.04030	1.1
177.01978	3.4
177.05559	1.3
179.03448	3.1
183.04501	1.2
191.04024	0.7
191.05586	5.8
194.02205	0.8
195.02956	16.7
196.03307	1.1
201.05566	1.3
202.99901	0.7
203.03462	1.1
219.06595	1.7
225.05611	1.7
241.05086	1.9
243.06494	1.6
245.04361	1.2
259.06097	1.1
261.07602	1.3
269.04510	9.0
287.05569	29.1
288.05795	0.8
293.08664	1.1
305.06638	50.5
306.06946	2.9
357.08228	4.9
420.24286	0.8
431.15421	1.4
449.10880	10.3
450.10977	1.3
467.05142	2.0
467.11850	55.2
468.12067	5.2
470.87122	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.1191
Annotation	Catechin-4-ol 3-O-beta-D-glycopyranoside
Peak:m/z	Relative Intensity
51.27472	0.9
56.19859	1.1
57.03443	8.6
59.01352	3.1
60.05746	1.0
63.10662	1.1
70.02978	1.7
71.01364	1.7
81.03421	3.4
83.01385	7.6
85.02943	4.7
87.00861	1.6
89.02377	1.2
93.03465	7.1
95.05022	1.4
96.00888	2.0
96.96008	22.7
99.04509	1.1
101.02407	1.1
105.41236	0.9
107.05000	1.0
108.02171	1.4
109.02945	27.1
111.04532	1.2
112.52500	0.9
114.01940	4.3
121.02950	12.8
123.04484	2.8
124.01616	1.2
125.02441	100.0
126.02733	2.5
127.03948	1.1
133.02919	4.3
135.04495	2.9
136.72858	1.0
137.02441	19.5
139.03983	3.5
149.02408	7.8
151.03970	5.9
159.04453	1.5
161.02435	73.3
162.02823	3.0
163.00352	3.3
163.03928	1.5
164.01102	4.6
165.01910	15.5
167.03470	7.9
173.04495	3.6
173.05914	1.2
175.03978	1.1
176.04813	1.0
177.01888	4.0
177.05467	1.3
177.09125	1.5
179.03453	4.3
187.07628	2.4
190.07198	6.8
191.03683	1.6
191.05582	26.8
195.02985	17.3
201.05502	2.3
205.08688	1.3
219.06569	1.0
225.05414	1.6
231.10327	1.4
241.05006	1.6
249.11197	2.7
252.84343	1.0
259.05896	1.3
261.07468	1.1
269.04504	7.9
275.09280	1.0
287.05609	29.6
287.08749	2.6
288.06006	1.1
298.28622	1.0
305.06662	55.3
305.09854	8.5
306.06894	2.4
357.08218	5.5
449.10812	9.3
467.04788	2.2
467.11819	51.1
468.12177	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	465.0796
Annotation	Unknow
Peak:m/z	Relative Intensity
51.37101	0.2
57.03464	0.4
59.01376	1.3
59.18850	0.2
61.98525	0.5
61.98825	7.5
62.76453	0.3
67.01880	0.3
71.01372	0.9
71.60932	0.3
73.02924	0.3
78.95907	0.4
85.02946	5.3
87.00862	1.4
89.02448	0.2
93.03442	2.1
96.96005	1.8
99.04501	0.3
109.02926	0.5
110.98601	0.3
111.04507	0.9
113.02494	0.3
125.02428	0.8
127.04002	1.5
133.02948	0.6
135.04524	2.6
137.02406	0.4
161.02399	1.6
171.02983	0.3
173.04533	2.7
177.05400	0.3
179.03459	1.6
188.04443	0.2
188.44897	0.2
191.05591	100.0
192.05913	2.4
192.99564	0.6
229.08725	0.4
273.07721	0.6
285.04037	0.5
353.08728	18.2
354.08948	1.2
375.06894	0.8
385.06027	0.7
465.02029	0.6
465.10477	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	466.2933
Annotation	1-heptadecanoyl-glycero-3-phosphoethanolamine
Peak:m/z	Relative Intensity
51.46819	0.6
59.96312	0.5
61.98846	0.5
63.14750	0.5
70.23138	0.5
71.50494	0.5
78.95898	19.2
108.31416	0.5
118.04981	0.5
122.00134	0.7
140.01151	5.2
147.78027	0.5
149.32326	0.5
152.99582	1.5
178.35910	0.5
187.22186	0.5
196.03761	8.8
197.18826	0.5
214.04779	2.1
238.89349	0.5
269.24820	100.0
270.25241	5.6
285.86810	0.6
302.50928	0.7
389.53622	0.5
410.18271	0.5
466.29330	37.1
467.29749	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	464.265
Annotation	Dehydrodeltatsine
Peak:m/z	Relative Intensity
57.03444	3.5
59.01378	2.6
59.98509	0.5
61.98827	7.7
69.03449	3.6
69.53929	1.0
69.54358	1.6
71.01353	0.5
78.95887	1.4
81.07078	0.8
81.80597	0.3
82.02972	0.4
83.05009	1.4
84.04539	4.8
85.02937	0.6
89.38177	0.3
98.06116	2.7
99.04508	3.8
100.04032	0.8
102.05605	22.1
112.07690	0.3
114.09216	0.5
124.07652	0.6
128.03542	7.6
138.09207	0.5
140.10815	7.0
146.04582	1.1
151.87688	0.4
159.02917	0.3
162.43626	0.3
164.20175	0.3
168.06602	0.4
168.97583	0.3
183.08983	3.2
191.05574	0.4
205.00464	0.3
223.13345	3.2
225.39630	0.4
227.07851	0.5
247.17014	9.5
248.17380	0.6
261.73138	0.4
265.18005	4.7
267.85962	0.3
282.54596	0.3
290.17661	0.4
308.18542	0.9
332.22235	2.5
333.22858	0.5
335.22250	16.0
336.22421	1.0
350.23199	1.5
401.08871	0.4
420.27469	5.1
446.25528	3.0
464.26474	100.0
465.26825	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	464.1769
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	16.3
61.98828	100.0
69.56512	1.5
69.56926	0.7
71.01384	2.2
73.02961	0.4
85.02970	0.9
89.02428	0.7
99.00858	0.4
101.02464	1.0
113.02486	0.8
119.03445	0.3
122.95266	0.3
128.03239	0.3
129.04391	0.3
161.04576	0.6
176.52933	0.3
199.88676	0.3
270.30798	0.3
315.18188	1.6
357.19522	0.6
465.24921	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	464.2648
Annotation	Dehydrodeltatsine
Peak:m/z	Relative Intensity
57.03428	0.6
59.01363	2.2
61.98819	2.3
69.03453	4.2
69.30153	1.1
69.30556	4.2
71.01371	0.7
78.95897	2.9
81.07090	1.4
82.02991	0.5
83.05018	2.3
84.04536	3.9
85.02937	1.4
86.04514	0.5
89.87997	0.5
94.30032	0.6
95.05042	0.7
96.96006	1.4
98.06113	2.9
99.04517	1.7
100.04091	0.6
102.05605	24.0
108.71821	0.5
112.07700	0.9
114.09270	0.6
116.23057	0.5
126.81298	0.5
128.02655	0.9
128.03520	7.9
140.10809	6.5
146.04582	1.3
152.99573	3.8
183.09009	2.0
191.05614	2.0
194.66385	0.5
203.18056	0.6
235.60451	0.5
247.16982	2.3
256.22861	0.5
275.01563	0.5
335.22229	17.7
336.22433	1.6
363.17273	1.8
420.27469	7.9
421.27850	0.9
430.22214	0.6
446.25491	2.6
447.25476	0.6
464.26520	100.0
465.26959	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	464.1423
Annotation	Unknow
Peak:m/z	Relative Intensity
55.67438	0.8
57.03447	1.5
59.01373	10.3
60.05006	1.0
61.98826	8.2
70.54424	1.0
71.01377	4.9
72.99320	1.1
73.02968	1.5
79.95719	5.5
81.03461	1.3
82.64869	0.8
85.02942	10.3
87.00885	4.2
89.02457	2.1
93.03458	11.3
94.03758	1.1
95.95211	1.7
96.96001	25.8
99.00911	1.0
101.02441	2.7
109.02982	2.1
111.04520	2.6
119.05026	23.6
120.05347	1.0
121.02885	0.9
123.04473	1.4
125.02434	5.4
126.02707	2.2
127.04019	3.4
133.02948	3.6
134.03749	1.1
135.04521	2.7
137.02441	6.3
139.57417	0.9
149.02408	1.1
150.03227	1.1
155.03455	1.5
160.01723	1.4
161.02452	6.1
163.04012	18.7
165.01910	1.0
173.04555	9.8
174.03186	1.8
175.04027	1.4
179.03461	2.5
187.07660	2.0
191.05597	100.0
192.05940	12.1
193.06107	0.9
199.03957	1.1
202.06456	1.2
209.11787	7.2
210.12144	6.4
215.07082	2.5
216.07462	1.8
216.98026	1.6
227.03555	1.0
227.07123	1.0
227.12830	2.8
228.13246	1.9
229.08670	2.5
229.52960	1.1
231.10251	1.3
239.06670	23.2
239.12909	1.4
239.56882	3.1
240.06667	1.3
243.06560	2.5
244.06920	5.0
247.09758	1.8
248.07123	1.0
255.06537	2.0
257.08154	3.9
271.06192	5.6
272.06418	9.7
273.07660	5.9
275.09244	1.2
289.07178	1.3
290.07794	1.2
291.08771	1.6
301.03299	1.7
304.56268	1.0
328.79184	0.9
356.74313	1.0
362.04645	1.2
373.09036	1.0
378.19141	2.2
381.17361	24.3
382.17654	4.1
399.18399	20.1
400.18790	2.7
431.13101	1.3
449.14215	2.9
464.12515	1.5
464.21835	1.2
465.08444	4.1
465.14093	2.5
465.23453	1.5
475.02701	1.0
479.13736	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	464.1405
Annotation	Unknow
Peak:m/z	Relative Intensity
52.70830	0.2
53.55449	0.2
55.46858	0.2
59.01373	0.6
61.98827	100.0
67.01912	0.3
69.03421	0.2
69.87695	0.7
69.88095	0.4
71.01381	0.7
73.02924	0.3
82.75773	0.2
85.02953	1.5
86.03307	0.2
87.00880	0.6
92.01798	0.2
93.03448	1.5
94.03809	0.3
96.28345	0.2
96.95997	1.0
97.02961	0.8
98.20523	0.3
101.02451	0.3
105.60654	0.2
109.02957	1.0
111.04574	0.3
114.03330	0.2
114.11172	0.2
121.02956	0.3
122.03735	0.4
123.04517	0.6
125.02420	1.1
127.03950	0.4
135.04535	0.6
137.02412	0.9
139.04095	0.2
151.03993	0.6
161.02440	0.6
163.04033	0.3
165.01878	0.4
173.04567	1.4
174.03255	0.2
174.04846	0.3
175.04033	0.4
175.07574	0.2
191.05592	12.9
192.05905	1.6
197.04576	0.4
199.03873	0.2
201.05464	0.3
204.04140	0.3
216.53905	0.2
219.02640	0.2
219.06683	0.2
220.07529	0.3
229.08786	0.3
243.03088	0.5
246.08597	0.2
247.06401	0.9
249.22403	0.2
259.06082	0.3
271.06033	0.3
272.06421	0.4
273.07718	1.2
281.04697	0.2
284.11139	0.6
285.07654	0.4
289.07230	0.9
290.07492	0.6
303.08737	4.4
327.08731	0.5
355.58762	0.2
404.15430	0.8
464.10413	0.2
464.17148	0.5
464.23004	0.4
465.14276	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	464.1423
Annotation	Unknow
Peak:m/z	Relative Intensity
55.67438	0.8
57.03447	1.5
59.01373	10.3
60.05006	1.0
61.98826	8.2
70.54424	1.0
71.01377	4.9
72.99320	1.1
73.02968	1.5
79.95719	5.5
81.03461	1.3
82.64869	0.8
85.02942	10.3
87.00885	4.2
89.02457	2.1
93.03458	11.3
94.03758	1.1
95.95211	1.7
96.96001	25.8
99.00911	1.0
101.02441	2.7
109.02982	2.1
111.04520	2.6
119.05026	23.6
120.05347	1.0
121.02885	0.9
123.04473	1.4
125.02434	5.4
126.02707	2.2
127.04019	3.4
133.02948	3.6
134.03749	1.1
135.04521	2.7
137.02441	6.3
139.57417	0.9
149.02408	1.1
150.03227	1.1
155.03455	1.5
160.01723	1.4
161.02452	6.1
163.04012	18.7
165.01910	1.0
173.04555	9.8
174.03186	1.8
175.04027	1.4
179.03461	2.5
187.07660	2.0
191.05597	100.0
192.05940	12.1
193.06107	0.9
199.03957	1.1
202.06456	1.2
209.11787	7.2
210.12144	6.4
215.07082	2.5
216.07462	1.8
216.98026	1.6
227.03555	1.0
227.07123	1.0
227.12830	2.8
228.13246	1.9
229.08670	2.5
229.52960	1.1
231.10251	1.3
239.06670	23.2
239.12909	1.4
239.56882	3.1
240.06667	1.3
243.06560	2.5
244.06920	5.0
247.09758	1.8
248.07123	1.0
255.06537	2.0
257.08154	3.9
271.06192	5.6
272.06418	9.7
273.07660	5.9
275.09244	1.2
289.07178	1.3
290.07794	1.2
291.08771	1.6
301.03299	1.7
304.56268	1.0
328.79184	0.9
356.74313	1.0
362.04645	1.2
373.09036	1.0
378.19141	2.2
381.17361	24.3
382.17654	4.1
399.18399	20.1
400.18790	2.7
431.13101	1.3
449.14215	2.9
464.12515	1.5
464.21835	1.2
465.08444	4.1
465.14093	2.5
465.23453	1.5
475.02701	1.0
479.13736	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.379
Annotation	Certonardosterol D3
Peak:m/z	Relative Intensity
69.94665	3.0
78.95902	0.9
96.95984	1.1
98.46014	0.6
111.02931	0.6
120.05779	2.0
125.06078	2.4
135.08148	14.9
136.92030	0.6
137.06059	2.4
151.07623	0.8
152.99483	0.8
165.05548	1.3
170.05841	1.9
177.69647	0.6
394.39957	0.6
403.35757	2.3
413.89838	0.8
421.36865	25.0
422.37048	3.4
454.16089	0.7
463.37912	100.0
464.38205	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	464.1194
Annotation	Unknow
Peak:m/z	Relative Intensity
57.57520	0.3
59.01373	3.6
61.98827	100.0
67.01892	0.5
69.78925	1.4
71.01380	1.2
71.22197	0.3
72.99305	0.4
73.02947	0.4
79.95744	0.9
83.01399	0.4
85.02960	1.5
86.16295	0.4
89.02436	0.5
92.06151	0.3
93.03452	1.9
94.03101	0.3
95.05043	0.4
96.96015	1.8
98.20624	0.7
101.02454	0.9
109.02964	0.9
111.04485	0.7
113.02484	0.9
121.03004	0.4
122.03736	0.4
124.01648	0.5
125.02403	0.9
133.02957	0.9
135.04510	1.8
137.02429	2.4
138.05595	1.1
160.71864	0.3
161.02431	3.4
162.02812	1.0
163.03050	0.6
173.04547	2.6
179.03539	1.0
181.65013	0.3
189.01926	0.4
191.05608	8.2
192.06018	0.7
201.05586	0.4
219.06554	0.3
239.06584	0.6
269.04562	0.4
272.03262	0.6
288.06036	0.7
289.07257	1.0
337.03506	0.4
366.18329	0.6
401.12515	0.8
463.24417	0.4
464.14584	2.6
464.24368	1.2
465.14432	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.2694
Annotation	Tritoniopsin D
Peak:m/z	Relative Intensity
50.09588	0.4
57.03429	1.6
58.08014	0.3
59.01373	1.3
61.98822	2.4
64.63531	0.4
70.75624	0.8
71.01350	0.6
71.05007	1.1
78.95913	0.6
85.02946	10.0
96.95990	0.6
105.68236	0.4
116.93717	0.4
123.08140	1.8
129.01913	1.2
137.09676	0.4
146.01434	0.4
147.03000	0.9
151.11217	0.6
163.11140	0.5
191.01965	4.6
191.05511	0.6
209.11652	0.6
241.15892	0.5
247.69638	0.4
285.04074	0.4
323.23917	0.8
325.21695	3.6
326.22012	0.7
341.24792	9.7
342.25235	0.4
357.27872	1.5
367.22690	0.7
369.21118	0.4
375.29016	2.5
381.12274	0.6
383.25687	0.4
385.23782	13.8
386.24255	1.2
392.84250	0.6
401.26913	34.3
402.27286	3.2
419.27979	7.1
420.28281	0.5
427.24670	1.1
437.28998	0.5
445.25937	3.9
463.26959	100.0
464.27344	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	463.2182
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	0.3
57.03449	0.2
58.00589	0.2
59.01089	0.4
59.01376	4.6
61.98827	2.2
69.37323	0.4
69.37714	1.8
71.01378	3.2
71.05029	0.3
72.99306	0.3
73.02942	0.6
73.25785	0.2
80.02660	1.1
81.03449	1.5
83.01380	0.7
83.05024	5.1
84.02162	1.0
85.02952	1.6
87.00886	0.6
89.02441	2.6
93.03443	1.1
95.01382	0.4
95.04994	0.4
96.96021	0.3
97.02951	0.2
97.06567	0.2
99.00897	0.4
99.82874	0.2
101.02441	3.2
109.02951	0.3
113.02431	1.7
118.98051	0.2
119.03498	0.9
119.05082	0.3
125.02463	0.3
125.06063	0.6
125.09653	0.2
133.02966	0.5
134.03438	0.2
135.04533	0.5
135.08122	0.4
137.02443	0.7
143.03552	0.3
145.03015	0.2
161.02437	1.3
161.04541	1.1
162.02805	0.6
163.02832	0.2
163.11290	3.6
165.12857	2.5
173.04582	1.0
179.05620	0.4
181.12370	0.4
187.07657	0.3
191.05595	4.5
191.10719	1.1
193.77629	0.2
199.13354	1.1
209.11813	100.0
210.12155	5.2
213.09232	0.2
219.54674	0.2
227.12875	19.8
228.13171	1.0
235.08167	0.4
245.98244	0.2
253.09268	13.4
254.09612	0.4
271.02539	0.3
271.05862	0.2
289.07263	0.4
300.02829	0.4
301.03339	0.3
385.12772	0.3
434.80826	0.2
463.14917	1.2
463.21945	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.2182
Annotation	Unknow
Peak:m/z	Relative Intensity
52.68879	0.3
55.01870	0.3
57.03425	0.3
59.01371	5.4
61.98833	1.3
63.36313	0.2
66.03387	0.2
66.46735	0.2
69.72051	0.5
69.72463	1.1
71.01376	4.3
71.05019	0.2
72.99306	1.0
73.02946	0.8
75.00851	0.3
79.95722	0.3
80.02664	0.8
81.03451	1.2
83.01384	0.7
83.05017	4.3
84.02171	1.0
85.02941	2.2
87.00877	1.0
89.02439	3.5
93.03447	1.7
95.01416	0.4
95.05017	0.5
95.95251	0.3
96.96011	1.9
99.00851	0.4
101.02425	3.3
107.05054	0.3
109.02968	0.4
111.04519	0.2
113.02434	1.9
115.04025	0.3
119.03491	1.2
119.05032	0.6
120.61284	0.2
122.03727	0.4
123.04441	0.3
125.02460	0.5
125.06068	0.5
127.04064	0.2
131.03496	0.3
135.02971	0.5
135.04517	1.2
135.08150	0.8
137.02470	0.6
143.03583	0.3
145.01466	0.3
147.02919	0.3
149.04526	0.2
161.02429	0.6
161.04541	1.5
163.04041	0.4
163.11272	3.8
165.12830	2.5
171.02985	0.2
173.04552	1.6
174.03267	0.3
179.03517	0.3
179.05586	0.6
181.12326	0.7
187.07626	0.3
191.05586	10.2
191.10643	0.6
192.05920	0.5
199.13354	0.8
201.09402	0.2
209.11810	100.0
210.12157	5.2
215.07043	0.3
217.08665	0.3
227.12863	19.2
228.13254	0.8
239.06758	1.5
239.56630	0.2
243.02853	0.2
243.06682	0.5
253.09262	12.6
254.09631	0.5
263.12863	0.4
271.02731	0.4
271.06067	1.9
289.07431	0.5
289.10797	0.3
300.02664	0.6
301.03381	0.6
331.17703	0.4
381.17316	1.0
399.18329	0.5
419.13354	0.3
445.20621	0.3
463.11780	0.9
463.21481	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.1468
Annotation	Phlorigidoside B
Peak:m/z	Relative Intensity
57.03458	0.4
59.01377	5.0
61.98835	0.6
65.00317	0.2
67.96442	0.2
69.89990	0.2
70.83192	0.2
71.01380	2.9
71.61531	0.3
72.99333	0.7
73.02985	0.8
75.00876	1.9
79.12664	0.3
79.59374	0.2
83.01405	0.4
85.02945	2.7
87.00922	0.7
89.02438	2.0
93.03451	2.0
95.01437	0.3
96.96070	1.0
99.00908	0.5
101.02451	2.0
107.01441	0.3
109.02973	0.6
111.04543	0.4
113.02486	1.4
119.03526	0.7
125.02494	0.6
127.04018	0.4
131.03552	0.6
131.04570	0.3
134.02536	0.6
135.04578	0.4
137.02470	0.6
143.03601	0.4
151.00436	0.5
161.02489	0.6
161.04633	1.2
173.04584	1.4
175.04065	0.4
179.05594	0.4
183.10248	0.3
189.01981	0.5
191.05595	17.7
192.05991	0.8
199.03822	0.3
199.07674	0.4
199.13373	0.7
201.09091	0.3
209.11893	1.1
211.04002	0.4
217.08748	0.6
227.12863	2.3
239.06651	0.3
242.02266	0.4
243.02917	0.7
243.06616	0.5
245.08125	0.4
253.09305	0.5
256.30746	0.3
257.06799	1.3
270.48972	0.3
271.04599	8.5
285.06296	1.1
286.07053	54.4
287.07379	3.3
289.07153	1.5
299.01868	0.7
301.09387	100.0
302.09714	6.2
313.03696	0.3
314.04242	0.3
331.17633	0.8
343.04535	0.5
373.05649	0.9
386.81808	0.3
403.19232	0.5
405.17740	0.5
411.29428	0.3
463.08368	2.5
463.14511	10.0
463.21640	3.9
464.15045	1.2
464.21365	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.124
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	0.6
56.92411	0.3
57.03438	1.4
58.00581	0.6
59.01376	11.2
61.98815	2.4
62.15156	0.3
67.01871	0.6
69.03461	0.9
71.01382	8.7
71.61920	0.6
72.99306	1.1
73.02956	2.3
76.10354	0.4
79.95737	0.4
80.02676	1.2
80.79575	0.4
81.03439	1.5
83.01372	1.6
83.05022	4.6
84.02195	0.9
85.02946	9.9
87.00872	2.9
89.02450	6.4
92.10347	0.4
93.03450	5.9
95.01400	0.6
95.05009	0.6
96.96009	4.5
97.02936	0.6
99.00864	0.8
101.02447	6.2
101.48514	0.4
105.01924	0.4
109.02921	1.2
111.04502	1.6
113.02435	3.2
119.03503	1.1
119.05013	3.7
123.04520	0.6
125.02444	4.2
127.03998	1.6
127.07640	0.5
129.01962	0.4
131.03499	1.1
133.02943	0.6
135.04501	0.8
135.08156	0.6
137.02467	1.9
143.03537	0.7
147.03011	0.7
149.04552	1.3
150.63316	0.4
151.00375	0.6
151.03955	0.5
153.01917	0.4
158.03708	0.7
159.04520	1.4
160.01665	1.5
161.02461	2.4
161.04572	2.5
161.05881	0.6
163.03976	3.2
163.11293	3.6
165.01886	0.4
165.12817	2.8
171.03056	0.6
173.04501	4.6
173.05972	0.8
174.03148	0.5
175.03995	1.1
179.05638	0.9
181.12418	0.7
186.03194	0.9
187.03937	0.7
187.07617	1.3
191.05598	64.5
192.05864	2.3
199.03937	0.7
199.13412	3.4
200.01151	0.6
201.09302	0.7
202.06398	0.5
209.11813	100.0
210.12164	4.3
211.03915	0.5
214.02733	0.7
215.07103	7.6
217.08768	2.2
227.12875	26.6
228.04271	1.1
228.13225	1.1
229.08609	0.5
239.06664	2.8
239.56827	0.5
243.02907	0.7
243.06598	14.7
244.06900	0.8
245.08231	1.1
253.09265	14.6
255.03006	0.9
257.08237	0.6
261.07806	1.9
271.02710	2.3
271.06082	36.3
272.06403	1.9
275.09195	0.6
289.07205	3.9
300.02725	1.5
301.03473	1.3
331.04691	0.5
331.17712	1.4
381.17395	2.5
385.12903	0.6
399.18304	2.7
401.55099	0.4
419.18903	0.6
463.12845	7.4
463.21713	6.0
464.12933	0.4
483.59122	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.1243
Annotation	Unknow
Peak:m/z	Relative Intensity
50.74019	0.4
53.44760	0.5
59.01380	2.5
61.98834	1.0
67.01878	0.8
69.39822	3.5
71.01367	1.1
79.95733	6.9
83.05029	0.5
85.02951	9.8
87.00885	2.4
91.56696	0.5
93.03448	4.8
95.95224	3.0
96.96005	36.0
99.04497	0.7
101.02467	0.5
107.25974	0.5
109.02962	2.3
110.18014	0.5
111.04523	1.9
113.02431	0.5
125.02413	0.5
127.03986	2.4
128.07356	0.4
128.42813	0.5
133.02902	0.8
137.02444	1.0
138.05606	0.5
151.00456	0.7
160.94812	0.4
161.02483	2.2
173.04538	4.1
181.06645	0.5
183.04594	0.4
191.05598	97.8
192.05991	2.3
199.07671	2.3
199.13365	0.7
201.09175	3.2
208.39981	0.4
209.11911	0.6
227.07103	5.0
227.12805	1.5
231.06944	5.4
231.57077	1.7
239.06664	1.8
245.08144	1.7
249.90712	0.4
271.06091	21.6
272.06473	1.4
281.09406	0.5
289.07147	7.0
289.59372	0.5
290.07489	0.5
301.03409	1.0
349.14758	0.6
352.69299	0.5
365.17856	100.0
366.18173	8.9
383.18942	32.0
384.19217	2.8
399.18475	1.5
440.20895	0.5
463.07050	0.8
463.12769	6.7
463.25330	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.0877
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	4.5
61.98824	0.5
63.02374	0.9
65.00324	1.5
69.29397	2.1
69.29809	1.3
71.01378	5.5
72.99294	0.5
73.02936	1.4
77.95677	0.3
78.05337	0.4
83.01373	1.6
85.02963	2.5
87.00900	0.4
89.02435	4.5
91.01885	0.5
93.03461	1.1
97.02946	0.4
99.00877	2.0
101.02442	3.8
102.43675	0.4
104.24631	0.4
107.01372	3.2
108.02173	1.6
109.02946	2.1
112.43568	0.4
113.02428	1.7
119.03452	1.0
121.02959	2.8
125.02457	1.1
131.03537	0.9
135.00868	0.9
137.02409	0.8
139.04008	0.6
148.01631	1.6
149.02464	0.7
149.04504	2.2
151.00362	12.8
161.02419	1.4
161.04541	1.6
163.00365	2.9
164.01144	0.9
173.04472	0.5
177.23320	0.4
178.99857	6.1
179.03500	0.4
180.00159	0.4
183.04491	0.9
185.06058	0.4
187.03955	0.5
190.99628	0.4
191.05600	4.8
198.03175	0.7
199.03935	1.1
203.03625	0.4
209.11812	0.6
211.03964	1.7
215.03485	0.9
216.04193	0.8
226.02670	1.9
227.03461	3.9
227.12936	0.9
229.04996	0.6
243.02963	12.6
244.03424	0.7
245.04536	1.4
251.07597	0.6
254.02173	3.1
255.02959	27.5
256.03366	1.3
271.02444	67.7
272.02878	4.5
273.03821	0.9
283.02441	1.6
299.01920	1.5
300.02716	100.0
301.03461	54.8
301.06415	0.9
302.03940	3.0
314.86090	0.4
331.17545	1.5
343.04407	1.1
463.08774	86.3
463.21698	8.9
464.09100	8.4
464.22232	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	462.1403
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	2.6
61.98821	0.9
68.91308	0.3
71.01366	1.4
71.62946	0.3
72.99288	0.3
73.59022	0.3
79.95699	0.3
85.02939	0.5
89.02417	0.4
93.03452	0.5
96.96003	1.2
97.02906	0.3
101.02444	0.3
103.44001	0.3
105.03457	0.5
109.02921	0.3
111.41588	0.3
112.37316	0.3
113.02486	0.4
117.03467	1.2
123.03256	3.8
123.04126	0.3
123.04539	0.5
127.00407	0.3
132.02155	1.8
133.02946	36.6
134.03336	0.9
135.04517	10.4
136.04874	0.4
137.02440	1.0
138.05598	35.2
139.05968	1.3
146.49693	0.3
161.02429	100.0
162.02762	3.2
165.01907	0.3
173.04510	0.6
175.04076	0.3
177.02026	0.3
177.05545	1.0
179.03473	5.4
191.05580	1.9
200.04933	0.3
201.05519	0.7
203.03714	0.3
221.04523	0.9
259.09695	0.7
270.80933	0.3
287.05286	0.3
300.11029	0.4
323.07675	3.6
365.17691	0.4
462.14017	67.8
463.08246	0.2
463.14386	6.3
463.24603	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.2906
Annotation	Lucidenic acid M
Peak:m/z	Relative Intensity
55.56302	0.7
59.01374	2.3
61.98827	3.3
63.56363	0.8
70.83543	0.9
71.01405	1.5
71.61582	0.8
71.62016	1.1
96.96001	3.8
187.30864	1.0
207.10240	4.5
225.11307	2.1
236.10361	1.2
280.20221	1.0
293.21216	1.2
309.21048	0.9
313.17618	1.0
331.18909	2.8
383.25900	2.6
399.29025	32.1
400.29370	3.3
413.29172	1.0
417.30194	1.7
443.28159	5.2
461.29071	100.0
462.29480	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	462.0888
Annotation	Unknow
Peak:m/z	Relative Intensity
50.71094	0.6
54.67711	0.6
56.41714	0.6
57.03476	0.6
59.01374	16.2
60.58191	0.7
61.98829	100.0
70.99266	1.5
70.99627	0.6
71.01377	4.5
72.34800	0.7
73.02947	2.2
78.50273	0.6
81.03433	0.8
83.01352	0.7
85.02957	3.0
89.02441	2.3
91.01917	1.8
93.03455	6.7
94.81416	0.6
96.96018	1.2
97.67702	0.6
99.00912	1.5
101.02449	3.8
113.02471	1.7
116.55435	0.7
119.01453	0.8
120.04610	1.1
121.02974	2.6
123.04517	0.8
125.02460	1.3
133.02940	0.6
135.04526	1.8
137.02446	11.2
144.42410	0.6
151.04001	29.1
161.02460	3.9
161.04576	1.9
168.03044	2.2
173.04575	2.7
176.58356	0.6
179.03569	0.9
191.05606	16.2
209.11813	6.2
223.59737	0.6
225.11458	0.8
227.12848	3.2
239.06787	1.6
239.56866	1.2
240.10350	2.8
243.06610	0.8
253.09326	1.2
255.03049	0.8
256.78156	0.6
263.13062	1.0
264.13181	0.7
271.02496	2.0
271.06192	1.9
271.44006	0.6
273.19086	0.6
281.06702	5.4
300.02832	1.9
301.03552	1.0
323.07678	1.4
328.98267	0.7
331.17737	2.0
441.16107	0.8
445.07291	0.7
463.08377	1.2
463.12320	1.9
463.21768	9.1
463.27719	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.2028
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	3.5
55.13694	1.8
57.03447	15.5
58.00590	2.9
59.01378	100.0
60.01738	1.7
61.11781	1.6
61.44322	1.7
61.98824	5.6
62.64353	2.2
67.02993	2.5
69.03477	2.3
70.02975	8.9
71.01381	71.1
71.61879	2.6
72.99311	6.8
73.02940	17.1
75.00861	3.2
78.95913	3.9
79.95739	2.4
81.03440	3.5
83.01397	6.2
83.05005	2.8
85.02948	34.3
85.04073	6.3
87.00868	30.4
89.02438	71.8
93.03460	28.9
95.01366	3.1
95.04972	2.7
96.00868	2.7
96.04551	2.2
96.96016	21.0
96.96982	4.5
97.02931	5.0
98.95627	1.9
99.00881	21.8
101.02434	38.8
108.02198	3.2
109.02964	5.8
111.04523	3.9
113.02437	18.9
113.03564	6.4
114.01964	38.5
119.03486	12.4
121.02946	55.1
122.06138	2.5
123.04523	12.1
123.08143	5.8
125.02450	8.0
127.04008	2.8
129.01938	8.7
131.03476	7.5
131.04611	14.5
133.02943	13.4
134.03734	14.3
135.04520	92.0
135.08113	2.2
136.04877	4.3
137.02440	24.8
143.03506	5.1
148.05249	2.8
149.02470	5.2
149.04546	22.2
149.06065	5.6
150.03197	2.6
151.03992	4.3
151.07635	17.8
152.01125	6.3
153.01949	2.1
155.03511	3.5
159.03001	6.9
159.04381	2.6
161.02432	40.7
161.04497	16.7
161.09714	5.8
162.02798	6.2
163.04065	4.0
163.07672	11.6
164.03383	2.1
165.09157	6.0
167.03485	11.5
173.04546	38.3
174.49377	2.1
175.04039	3.3
177.01884	3.2
177.03999	8.2
177.09232	2.3
179.03479	20.0
179.05623	6.7
179.10728	10.6
187.07744	2.7
188.08423	7.5
189.01697	3.2
191.05600	69.5
192.05888	3.7
197.04524	3.0
201.01727	10.4
203.10762	46.9
204.11131	2.8
205.07124	4.7
209.04593	3.4
221.11804	68.5
222.12239	4.5
229.01324	2.2
233.06618	7.3
240.07513	10.0
240.57623	8.6
271.02527	5.4
272.02939	2.3
285.03931	3.7
289.06967	2.2
326.17789	2.3
328.19110	8.5
329.12503	5.5
335.07669	19.8
336.07870	2.1
339.13211	2.1
344.18610	19.1
346.20239	22.0
357.06070	2.6
375.06812	11.8
383.18771	9.0
384.19247	4.9
399.22812	3.3
401.18198	5.8
417.07965	31.9
417.23917	5.3
418.08533	2.8
425.20221	3.7
426.14151	3.3
461.05362	6.9
461.12411	27.5
461.16614	61.3
461.22940	63.3
462.12628	3.8
462.17401	3.8
462.22928	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	461.1851
Annotation	Unknow
Peak:m/z	Relative Intensity
56.59647	0.3
59.01140	0.4
59.01379	4.0
60.55275	0.3
70.02086	1.1
70.02975	0.5
70.08640	0.3
71.01353	1.1
72.99306	0.5
73.02921	0.5
79.95734	8.7
80.96072	0.6
80.96512	6.6
85.02943	0.6
86.23083	0.3
88.28426	0.3
89.02408	0.6
93.03458	0.6
96.00895	1.3
96.96008	28.9
101.02438	0.9
103.06072	0.4
108.02168	0.6
109.06612	0.4
113.02380	0.6
113.03561	1.3
114.01945	2.2
122.97604	0.4
123.04503	0.6
131.04614	3.4
135.04494	0.4
138.97066	5.9
158.12791	0.3
159.80748	0.4
161.02437	0.5
161.04581	0.5
173.04475	0.4
179.03415	0.4
191.05576	1.7
207.10306	0.7
225.11324	2.0
259.16910	1.0
273.14697	0.4
287.16513	0.6
289.18051	1.2
301.17804	0.4
319.19052	3.9
320.19244	0.4
321.20712	2.4
328.19073	1.8
333.20596	0.4
346.20328	0.5
401.21643	0.7
413.16196	0.9
429.40884	0.3
431.17444	2.5
432.17548	0.4
443.17395	0.9
461.18332	100.0
462.18561	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	461.2027
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	0.8
57.03456	1.3
58.00589	0.7
59.01377	20.6
59.01678	1.1
61.98822	10.7
69.03476	0.6
70.39695	0.5
71.01379	9.2
71.05983	0.9
71.06319	1.0
72.99308	2.0
73.02953	2.3
75.00880	1.4
76.92724	0.6
79.95734	3.0
80.02694	0.8
81.03460	1.6
83.01376	1.6
83.05022	2.5
85.02933	3.6
87.00863	2.0
88.62506	0.6
89.02438	5.9
91.04015	0.7
93.03451	2.9
95.01378	1.6
95.05032	0.7
95.95261	1.4
96.96007	32.3
97.02936	7.7
97.06623	0.6
98.95582	1.3
99.00874	5.3
101.02442	7.7
107.05007	0.8
108.02174	1.8
109.02950	2.0
109.06584	27.3
110.03753	1.7
113.02445	5.2
118.98069	1.2
119.03499	1.5
121.06609	1.6
121.08417	0.5
123.04521	1.2
125.02458	0.9
125.09723	1.6
132.02197	0.6
133.02965	6.9
134.03769	0.9
135.04530	4.7
135.08182	2.5
136.05292	1.1
137.02425	5.3
138.02832	0.7
142.02710	2.4
142.06606	0.7
143.03557	0.7
149.06076	1.0
152.01144	2.0
153.01918	0.9
161.02428	21.5
161.04568	2.4
161.09756	2.1
163.11284	16.4
164.11606	0.8
167.10728	1.0
173.04561	0.8
175.03964	1.0
176.46925	0.6
179.03510	2.0
181.12341	11.0
182.12602	0.6
189.09169	2.3
191.05565	4.0
198.53720	0.6
199.13264	0.8
207.10248	100.0
208.10605	4.5
209.11839	0.9
225.11296	90.9
226.11661	4.4
231.06937	48.2
231.57101	7.5
232.06921	3.3
234.80782	0.7
235.08028	1.5
239.06737	3.0
243.12346	6.6
253.09277	18.4
254.09695	0.8
257.08289	0.6
274.83557	0.6
299.01810	0.7
299.14819	1.8
321.66745	0.6
323.07614	1.9
345.48605	0.7
365.17871	23.0
366.18173	4.2
367.18106	0.7
383.18906	2.6
384.19113	0.7
398.09036	1.1
443.19443	1.1
461.09399	3.2
461.14691	6.3
461.20187	68.5
462.14850	1.4
462.20679	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	461.1453
Annotation	2-(4-Hydroxyphenyl)-ethyl-(6-O-caffeoyl)-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
55.16565	0.3
58.00606	0.4
59.01100	0.4
59.01377	7.3
59.13667	0.3
61.98827	1.0
70.76199	0.8
71.01376	3.7
72.99271	0.4
73.02948	0.6
77.03963	0.3
85.02943	0.8
89.02435	2.2
93.03464	0.8
95.01389	0.5
95.05037	0.9
96.95997	1.4
101.02422	1.8
109.02954	0.7
109.06590	1.4
110.03758	0.4
113.02464	1.4
117.03467	1.4
119.03513	0.7
119.05008	1.7
123.04507	0.4
132.02164	1.5
133.02946	31.3
134.03377	1.1
135.04512	12.5
135.08156	0.4
137.02412	3.0
137.06085	0.5
153.01868	0.6
161.02431	100.0
162.02782	3.4
163.11269	1.3
164.34189	0.3
177.05513	0.5
179.03496	9.0
180.03784	0.3
181.12346	0.5
189.09183	0.6
191.05592	1.8
207.10231	4.5
221.04480	0.5
225.11296	16.6
226.11667	0.6
251.05594	0.4
253.09232	2.9
281.06625	0.5
299.07904	0.4
323.07727	0.6
357.90341	0.4
409.47559	0.4
455.70581	0.3
461.14526	74.3
461.19519	3.4
462.14972	6.5
462.21201	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.1301
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01854	1.4
57.03444	5.0
58.36655	0.9
59.01374	52.4
61.98817	2.2
67.01874	1.3
68.99809	3.9
69.03471	2.6
69.35909	5.0
69.36328	3.7
71.01376	26.6
72.99297	9.7
73.02930	3.1
75.00867	28.7
81.03461	3.0
83.01381	2.7
85.02946	29.6
87.00882	9.3
88.29573	1.1
89.02434	8.4
90.06660	1.2
90.92404	1.0
91.04003	2.2
93.03452	4.7
95.01379	7.8
96.96017	5.4
97.02931	4.0
99.00875	15.8
101.02441	4.3
103.00350	3.2
109.02934	4.0
109.06586	2.4
110.00091	3.4
111.00848	3.4
113.02441	36.3
114.05644	1.2
115.00362	3.2
117.01944	3.9
123.04527	3.0
125.02457	7.3
125.99601	8.4
129.01921	2.9
133.02942	1.7
135.04530	2.2
137.02432	13.2
137.06088	2.2
137.99535	5.8
138.55099	1.0
139.00391	2.5
141.01935	3.9
151.03986	1.5
152.04832	1.7
153.02013	5.2
153.05568	50.5
153.99060	4.0
154.05885	1.4
155.03462	1.7
157.01428	1.6
161.02434	5.5
161.04491	1.6
163.11310	2.6
165.09201	3.6
167.07088	1.8
168.04245	2.2
169.01456	1.9
171.02957	1.6
173.04523	2.9
175.02524	5.7
189.04027	1.9
191.05573	6.9
196.03726	4.3
197.04507	9.1
207.10216	11.6
211.06093	95.3
212.06456	3.0
225.05405	1.7
225.11272	18.7
227.03525	1.1
231.05080	10.8
235.07997	1.5
243.06647	2.1
249.06120	95.5
250.06538	4.0
253.09224	2.6
271.08289	2.2
278.02982	1.1
285.04059	7.4
341.06458	4.7
371.07285	1.6
401.10809	1.7
425.14297	2.8
443.11633	4.0
461.13013	100.0
461.19766	7.5
462.13513	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	461.1298
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44679	0.3
50.96108	0.3
53.51910	0.3
57.03433	0.4
58.12283	0.4
59.01377	5.3
59.83166	0.4
60.31287	0.4
64.29259	0.4
68.99834	0.5
69.55636	1.8
69.56042	1.1
69.79765	0.4
71.01381	6.7
72.99288	0.5
73.02934	3.0
75.00879	2.2
81.03445	1.3
81.77408	0.4
83.01384	1.4
85.02949	3.3
87.00874	0.6
89.02439	2.6
93.03464	1.1
95.01379	1.8
95.46352	0.3
96.96005	1.3
97.02962	0.5
99.00874	0.6
99.04527	0.9
101.02456	3.9
108.02174	40.9
109.02959	28.2
109.04051	0.6
110.03303	0.9
113.02436	1.9
114.01994	1.3
119.03492	0.5
121.02962	1.1
123.00919	0.9
123.04521	1.6
127.04005	1.0
129.01941	0.5
135.00861	0.6
135.04524	0.4
137.02423	0.7
151.04015	1.8
152.01146	58.3
153.01941	28.3
154.02284	0.7
161.04498	0.5
164.03532	0.7
165.01926	1.0
167.03542	0.8
173.04573	0.7
183.63873	0.5
191.05615	2.5
193.05083	0.6
222.39075	0.4
227.33406	0.4
255.08865	0.7
325.88654	0.4
346.20242	0.9
461.12970	100.0
461.23325	3.1
462.07318	0.6
462.13336	9.3
474.20187	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.1297
Annotation	Saccharumoside C
Peak:m/z	Relative Intensity
55.53622	0.3
57.03434	0.5
57.30684	0.3
59.01371	3.5
60.99300	1.5
65.00341	0.5
69.03448	0.6
69.24380	2.2
69.24805	1.3
71.01385	2.4
73.02952	0.6
81.03452	4.9
83.01384	2.7
85.02946	0.7
88.98802	10.6
89.02448	2.5
93.03429	0.8
95.05035	1.1
96.96012	0.8
97.02957	0.7
99.00864	1.0
101.02464	0.8
107.01395	0.6
108.02190	0.4
109.02901	0.6
113.02470	0.4
121.02955	0.9
123.04516	31.2
124.04871	0.5
125.02442	7.6
131.03537	0.5
135.00940	0.5
135.04573	0.6
137.02414	0.7
139.04039	0.5
145.35889	0.4
149.02408	1.3
151.00331	1.0
151.03969	0.7
152.01230	0.4
154.44862	0.4
161.02434	0.4
163.03990	0.7
165.35240	0.3
166.02704	0.7
167.03477	100.0
168.03812	3.1
175.00357	1.0
179.03467	1.1
181.05003	1.5
184.80847	0.3
191.03490	18.6
191.05466	1.1
192.03847	0.6
207.10155	0.5
209.04509	4.7
221.04504	1.2
225.11302	0.6
233.04480	1.4
233.06712	1.0
254.32350	0.3
259.44434	0.3
293.08844	0.7
325.98212	0.4
411.24136	0.4
415.15952	0.6
429.10321	1.1
440.86365	0.4
461.12930	44.2
462.13205	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	459.2902
Annotation	Menatetrenone Epoxide
Peak:m/z	Relative Intensity
61.89211	0.2
69.94020	1.1
85.73997	0.3
92.94642	0.2
107.05018	31.3
108.05357	0.6
111.38530	0.2
139.05406	0.2
147.08163	0.5
163.11270	100.0
164.11591	4.4
165.37953	0.2
204.28804	0.2
208.98068	0.2
238.10022	0.4
271.83990	0.2
280.14685	0.6
283.17007	26.8
284.17307	1.9
295.17004	15.5
296.17230	1.1
459.28998	83.1
460.29321	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	461.1087
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	3.7
61.98822	0.9
63.23656	0.3
63.78018	0.4
65.03937	0.4
69.75579	0.3
71.01366	2.1
71.62360	0.5
72.99305	0.4
73.02951	0.6
79.95750	0.4
85.02940	1.0
88.98781	0.5
89.02430	0.9
93.03451	50.1
94.03784	1.1
96.96004	5.5
97.02956	0.5
101.02426	1.2
109.02966	0.5
109.06579	0.6
113.02430	0.8
117.03484	0.4
131.47243	0.3
132.02243	0.4
133.02946	8.9
135.03017	0.5
135.03381	0.3
135.04509	6.7
137.02434	100.0
138.02763	2.9
139.04059	0.3
149.06023	0.4
161.02431	26.1
162.02802	1.0
163.11288	0.4
173.04524	0.7
175.03998	0.5
177.05551	1.3
179.03506	4.4
191.05620	2.1
203.03529	0.6
207.10190	2.5
221.04544	1.4
225.11290	2.6
231.06921	6.2
231.57091	1.9
232.06824	0.6
233.69226	0.4
251.05698	0.4
253.09431	0.5
299.07761	3.3
323.07684	25.9
324.08072	1.5
353.08267	0.3
365.17874	3.7
366.18225	0.7
461.10965	6.2
461.20142	1.0
462.11298	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2597
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84661	0.3
55.01874	0.3
57.03447	0.6
58.00595	0.3
58.08225	0.2
59.01375	100.0
60.01713	0.8
61.98831	0.6
64.93324	0.2
69.03450	0.3
69.42143	1.8
71.01374	9.1
72.99294	0.3
73.02943	2.6
79.95719	0.2
81.03456	0.3
83.01389	1.6
85.02946	3.6
87.00883	0.7
87.04527	0.5
89.02444	3.2
93.03472	0.8
95.01398	0.7
96.95980	0.3
97.02961	0.5
98.20647	0.5
99.00884	0.9
101.02431	7.1
101.06081	0.9
107.05018	0.3
108.15701	0.2
109.02961	0.3
111.00887	0.3
113.02435	4.1
113.03631	0.4
114.01964	0.3
114.45203	0.2
119.03513	1.5
125.02479	0.6
131.03693	0.3
131.04602	1.5
133.02974	0.3
134.03798	0.2
135.04538	0.9
136.04829	0.3
137.02411	0.3
141.01901	0.2
143.03528	0.7
149.06076	0.6
151.00366	0.2
159.03027	0.4
161.02484	0.8
161.04520	2.6
173.04584	0.7
177.01910	0.3
179.03484	0.3
179.05666	0.5
181.57082	0.2
181.93755	0.3
187.47359	0.2
191.05582	2.4
211.15477	0.2
255.06610	1.5
255.19701	0.8
284.60040	0.2
297.21078	0.4
327.21915	0.4
363.21149	0.3
381.23004	0.8
399.23807	5.6
399.28638	0.4
417.24918	6.0
418.25430	0.7
459.13248	0.7
459.26285	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2597
Annotation	Cosmosporaside B
Peak:m/z	Relative Intensity
50.71736	0.3
55.01873	1.1
57.03449	0.7
58.00592	0.3
59.01376	100.0
60.01723	0.9
60.28138	0.3
69.03457	0.5
71.01378	14.5
71.61568	0.4
72.99268	0.4
73.02941	5.1
83.01392	1.9
85.02949	5.7
87.00886	1.0
87.04529	1.3
89.02441	4.1
92.27473	0.3
92.34547	0.3
93.03462	0.7
94.79801	0.3
95.01392	1.3
96.95960	0.4
97.02956	0.6
99.00901	1.3
101.02437	8.7
101.03075	0.5
111.00887	1.2
113.02444	6.0
113.03574	0.7
114.01973	0.5
119.03478	1.4
122.03744	0.3
125.02473	1.3
131.04608	1.8
132.03065	0.6
135.04546	0.9
143.03459	2.0
159.03090	0.6
161.04543	4.1
164.28926	0.3
167.95177	0.3
173.04565	0.7
179.05687	0.5
191.05609	2.1
192.06001	0.3
239.16655	0.4
255.19783	1.1
297.20776	0.4
327.21838	0.5
329.19714	0.8
353.08987	0.3
363.21802	0.4
371.12860	0.3
381.22748	0.7
399.23871	16.0
400.24509	1.1
417.24930	12.8
418.25504	1.0
423.22647	1.3
459.14145	0.4
459.20364	2.0
459.25977	0.6
462.79605	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2001
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03438	1.8
59.01376	100.0
60.01690	1.0
61.98834	4.0
70.32217	3.2
71.01381	9.8
72.99294	1.2
73.02927	3.1
75.00850	1.1
83.01374	2.1
85.02948	5.8
87.00871	1.1
87.64754	0.8
89.02434	2.9
93.03458	4.9
95.01369	1.7
96.95993	3.5
97.06593	0.9
98.20003	1.1
99.00866	1.6
101.02436	5.4
102.13904	0.9
108.02155	1.1
109.02951	2.8
113.02428	3.9
118.95741	0.9
121.03029	0.9
123.04466	1.2
125.02432	1.2
131.04575	1.1
133.02939	2.6
134.03728	1.8
135.04535	5.4
137.02414	1.0
144.56514	0.8
151.04004	1.2
159.02962	0.9
161.02423	3.1
161.04549	1.9
173.04492	6.4
174.03214	0.9
174.04872	1.1
178.95711	0.9
179.03499	2.0
191.03918	1.5
191.05583	16.3
192.05943	3.1
205.65154	0.9
223.13150	1.2
259.48764	0.8
320.03125	0.8
343.21027	1.5
345.01660	0.9
353.08728	1.4
399.23840	8.7
417.24948	7.0
423.22232	1.8
449.64407	1.3
458.64908	1.1
459.13965	0.8
459.19894	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	459.26
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	0.9
57.03445	1.3
59.01377	100.0
60.01722	0.7
61.98824	1.8
62.99743	0.4
67.01903	0.7
69.42185	3.9
71.01380	15.2
72.99311	1.0
73.02946	6.6
75.00871	1.2
79.95738	0.5
83.01376	3.1
85.02948	10.6
87.00894	1.7
89.02441	2.5
93.03440	2.3
95.01379	0.9
96.95988	2.2
97.02961	0.8
97.06602	0.6
99.00894	2.0
101.02438	12.5
111.00955	0.7
111.04521	0.9
113.02454	6.3
113.03320	0.5
113.03584	0.5
114.74249	0.6
117.22646	0.4
121.02953	0.6
123.04523	0.6
125.02448	1.4
130.89287	0.5
131.03621	0.7
131.04665	1.5
133.02901	0.7
135.04568	1.7
137.02454	1.1
143.03581	1.0
151.04033	1.1
155.03537	0.6
158.61794	0.6
159.03064	0.7
161.02452	1.6
161.04546	4.8
161.05745	0.6
173.04550	3.7
174.04942	0.6
179.03592	1.3
191.05600	9.0
192.05994	1.7
210.91232	0.5
211.13480	0.6
223.13429	0.5
229.08649	0.5
255.19688	0.5
279.85284	0.5
313.34219	0.5
343.21188	0.9
358.52902	0.5
364.00031	0.6
392.71884	0.5
399.23932	8.3
417.24976	25.1
418.25586	2.0
449.64835	0.7
458.65311	1.1
459.08759	0.6
459.20358	3.3
459.26218	4.6
459.31177	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.1509
Annotation	Unknow
Peak:m/z	Relative Intensity
54.20276	0.3
55.01893	0.4
59.01378	5.3
71.01372	3.3
73.02947	0.4
83.01357	0.3
85.02936	1.2
87.21667	0.3
88.26167	0.3
89.02444	2.1
89.60553	0.3
93.03451	0.3
96.95995	0.9
98.30988	0.3
101.02450	1.8
105.03447	0.5
113.02443	1.5
115.31136	0.3
117.03463	1.3
117.34371	0.3
119.03490	1.0
119.05007	2.5
120.05345	0.7
123.04538	0.4
130.20370	0.3
132.02144	1.2
133.02951	27.7
134.03502	0.7
135.04515	10.2
135.06625	1.6
136.04831	0.5
145.02921	0.8
145.36360	0.3
149.06046	0.4
161.02434	100.0
162.02817	4.0
163.04008	1.3
164.04321	0.6
165.04492	0.4
177.05617	0.6
178.06332	0.3
179.03481	7.6
191.05540	0.6
221.04509	0.7
251.05818	0.4
281.06674	0.5
341.08841	0.3
398.94586	0.3
459.14981	83.8
460.15302	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	459.1878
Annotation	Unknow
Peak:m/z	Relative Intensity
52.57646	0.6
55.01883	1.0
59.01375	100.0
60.01706	0.9
61.98806	0.7
63.84011	0.5
66.41940	0.5
69.03448	0.8
71.01375	20.2
72.99321	1.6
73.02940	20.4
74.03289	0.5
79.95758	1.0
81.03490	0.5
81.47278	0.5
83.01372	6.7
85.02945	4.9
87.00884	1.2
89.02439	4.3
90.31867	0.5
93.03465	1.4
95.01406	1.1
95.92057	0.5
96.95979	2.6
98.20644	1.1
99.00892	1.0
99.78133	0.5
101.02440	19.4
101.60744	0.5
109.02964	0.7
113.02445	8.1
119.03512	1.7
125.02426	1.3
131.03612	1.1
131.04631	1.8
135.04572	1.6
136.04860	0.7
143.03467	1.7
149.04547	1.5
155.03537	0.9
160.28757	0.6
161.02533	0.9
161.04529	6.8
166.59209	0.4
173.04558	1.9
191.05585	6.4
192.05890	0.7
193.12317	11.5
194.12842	0.7
221.06718	0.6
239.06725	3.0
239.56879	3.3
240.06529	3.1
255.19556	0.6
256.69351	0.5
316.22336	0.5
373.18759	1.2
399.23782	7.0
400.24237	0.8
415.19659	7.0
416.20453	0.6
417.25046	3.6
418.25394	0.6
449.64545	0.8
459.08527	1.1
459.21094	1.2
465.69913	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.135
Annotation	Unknow
Peak:m/z	Relative Intensity
54.84548	0.6
59.01374	4.7
70.15322	1.9
71.01381	3.1
73.02944	42.4
79.51582	0.6
89.02430	3.1
99.00876	4.9
101.02430	1.4
110.95814	0.7
113.02449	0.9
115.00356	2.3
116.92838	1.1
117.01934	100.0
118.02261	1.4
118.05090	2.4
119.03469	1.0
147.02992	2.0
149.04672	0.6
155.07515	0.7
161.02388	1.0
179.05635	2.0
189.05566	0.9
191.05612	2.6
219.95711	0.6
341.10864	4.9
425.74359	0.7
459.11789	0.7
459.21249	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.1504
Annotation	Unknow
Peak:m/z	Relative Intensity
58.75297	0.8
59.01384	4.8
59.01633	0.9
59.67244	0.9
59.70122	0.8
64.84361	0.9
66.10280	1.0
71.01369	3.8
71.61732	1.2
76.78963	1.0
79.05520	2.3
79.95738	7.2
80.99437	0.9
85.02958	2.0
87.00912	1.2
88.98785	3.3
89.02433	2.9
90.91706	1.0
90.99256	1.6
93.03464	2.1
96.95990	3.8
101.02445	1.6
105.03474	4.8
111.04506	1.3
113.88870	0.9
121.02991	1.0
121.06563	2.0
123.03713	1.7
123.04523	16.9
123.99067	1.1
124.04848	0.9
125.02470	1.2
132.02179	4.7
134.03722	7.5
135.04555	1.8
137.02370	1.2
149.02419	11.0
151.00655	1.2
160.01640	18.9
161.02206	1.0
165.05553	100.0
166.05859	3.6
175.03975	20.5
176.04663	1.5
177.09146	1.5
179.03461	1.4
191.05568	8.1
192.20610	1.0
193.05042	9.3
203.78761	0.9
205.08681	1.2
249.11234	3.1
293.08868	1.5
397.17166	1.2
415.18118	1.5
441.17871	6.6
459.19266	97.2
460.19244	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	459.129
Annotation	6''-O-Acetylliquiritin
Peak:m/z	Relative Intensity
57.03458	0.1
59.01094	0.2
59.01378	2.9
63.02394	2.1
65.00319	11.6
66.00658	0.2
67.01880	0.2
68.99822	0.2
70.75879	0.1
70.76207	0.2
71.01384	0.5
73.02943	0.1
81.03461	0.2
83.01379	6.2
84.01743	0.1
85.02933	0.1
87.00887	0.1
89.02438	0.2
93.03464	0.2
95.01380	0.2
97.02956	0.1
100.01957	0.1
101.02454	0.3
107.01384	17.8
108.01711	0.3
108.49564	0.1
108.99301	0.4
109.02958	0.4
113.02440	0.2
117.07118	0.1
121.02965	0.4
122.00139	0.1
123.00856	0.2
123.04486	0.1
125.02435	0.7
127.05546	0.1
131.36702	0.1
133.02966	1.0
135.00856	0.2
136.01648	0.3
137.02444	0.6
141.07143	0.7
143.05003	0.5
145.06583	2.8
147.04503	0.2
149.02432	1.0
149.99573	1.1
151.00360	43.3
152.00674	1.0
159.08138	0.3
163.00308	0.2
164.01149	0.7
165.01923	0.6
165.07063	0.1
167.08665	0.1
169.01425	0.2
169.06578	2.1
171.04512	2.5
172.05264	0.6
177.01917	10.1
178.02324	0.3
183.08151	1.0
185.06027	1.0
187.07639	1.0
189.81311	0.1
191.03456	0.1
191.05580	0.2
193.01419	0.3
193.06543	0.4
195.04468	0.1
197.06067	0.2
199.07616	0.2
207.08215	0.1
209.06001	0.2
211.04239	0.1
211.07626	3.4
212.07935	0.2
213.05557	8.2
214.05951	0.4
223.07689	0.2
226.25668	0.1
227.07098	1.3
229.08232	0.1
237.05571	0.6
239.07091	0.4
240.04320	0.7
241.08716	0.2
251.07114	0.4
253.05038	0.7
254.05804	1.4
255.06598	100.0
256.06946	5.3
267.06567	0.5
269.08154	0.8
270.35327	0.1
279.06586	0.9
297.07651	2.9
298.07849	0.2
399.11319	0.1
417.12036	0.2
441.12250	0.1
459.12927	74.9
460.13272	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	459.0931
Annotation	5-Hydroxypseudobaptigenin 7-O-glucoside
Peak:m/z	Relative Intensity
50.01442	0.5
51.74196	0.6
59.01092	1.2
59.01377	18.5
61.65643	0.6
61.88769	0.5
61.98825	8.7
66.99861	0.7
69.77334	2.5
71.01373	4.0
71.05017	0.5
73.02946	1.2
85.02949	2.7
86.57142	0.6
89.02446	0.9
93.03457	12.5
94.03771	0.9
96.95982	3.9
97.01665	0.6
99.00905	0.7
101.02431	2.7
105.03487	0.7
109.02952	1.7
113.02456	1.7
117.03458	4.6
119.04996	1.7
121.02979	1.1
123.04538	0.9
125.02429	1.3
129.03448	1.7
133.02960	2.3
134.03731	0.7
135.00803	0.8
135.04504	2.8
137.02435	1.2
145.02953	5.1
147.04515	2.5
149.02414	2.0
150.05504	0.7
151.03987	1.1
154.99480	0.6
157.02895	1.8
160.04077	1.0
161.02429	10.1
161.04543	1.2
163.04004	2.2
173.02423	6.9
173.04515	2.4
175.03947	1.7
177.01939	5.3
179.03542	1.2
187.03889	0.7
189.01918	9.4
190.02718	1.0
191.03523	3.5
191.05612	7.0
192.05910	0.7
201.01915	7.4
202.99850	5.0
213.01959	0.6
214.99931	1.1
216.00607	3.5
217.01385	14.6
218.01878	0.6
219.02945	5.2
229.01405	1.1
245.00882	96.9
246.01151	3.8
246.08421	0.6
247.99562	1.1
265.05124	0.7
267.06738	0.8
275.01962	5.7
281.04599	1.2
287.01770	0.8
297.03946	3.8
309.03989	3.4
310.04742	1.8
311.05634	0.9
321.03967	0.8
330.20572	3.8
339.05051	54.3
340.05402	3.1
356.03647	0.7
365.05023	10.8
365.09274	1.1
369.05942	3.9
379.12247	0.8
380.13208	1.2
416.24112	1.4
459.09262	100.0
460.09509	15.0
460.15866	0.6
460.23300	5.6
464.39783	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.093
Annotation	Unknow
Peak:m/z	Relative Intensity
54.35152	0.7
57.89262	0.5
59.01376	17.5
61.98826	7.9
66.56455	0.6
69.57771	3.5
69.58187	1.2
70.88281	0.6
71.01376	3.1
72.99288	0.9
73.02930	1.0
75.02361	0.6
83.01374	0.9
85.02958	1.4
89.02417	1.4
93.03454	10.9
94.03768	0.7
96.96033	2.8
97.02961	0.6
101.02444	1.8
101.03999	0.9
105.03498	0.8
106.06619	1.1
109.02992	0.7
113.02424	0.8
117.03436	5.6
119.04996	1.7
121.02975	0.7
123.04475	0.9
125.02476	0.7
128.03523	0.8
129.03432	2.1
129.30736	0.7
129.80840	0.6
133.02940	2.1
135.04504	1.9
136.01553	0.6
145.02962	4.3
147.04503	2.3
149.02437	1.8
150.05588	1.2
151.03999	0.7
157.02934	1.5
159.00854	0.7
160.03972	1.1
161.02448	9.3
161.04538	1.0
162.02960	0.7
163.03964	2.2
165.05547	0.6
172.01660	0.6
173.02420	8.3
173.04514	1.4
175.03940	1.7
177.01913	3.1
189.01935	10.9
190.02580	1.3
190.40639	0.6
191.03516	3.1
191.05624	6.3
192.05989	0.5
201.01929	8.1
202.99828	5.2
215.00009	0.6
216.00638	3.5
217.01379	17.1
217.03493	0.9
218.01820	0.7
219.02950	4.2
229.01549	0.8
231.02713	0.7
233.00932	0.7
245.00874	96.5
246.01237	4.5
247.99673	0.7
249.03964	0.8
275.01938	5.6
281.04517	0.7
295.02536	0.7
295.05991	0.9
297.03891	3.4
309.04114	3.0
310.04684	1.4
311.05688	1.5
321.03876	1.0
339.05048	52.5
340.05383	4.0
365.05017	11.4
365.09317	1.0
369.06201	3.0
379.11874	0.7
380.13272	1.1
459.09290	100.0
459.16559	7.1
460.09503	13.4
460.16125	1.1
460.23441	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	457.2956
Annotation	CHEBI:69585
Peak:m/z	Relative Intensity
53.23005	0.8
54.34003	0.8
59.01374	3.8
61.98825	3.8
71.01400	1.3
71.05031	1.3
73.02945	0.9
77.41965	0.8
82.91489	0.7
85.02936	1.2
96.96008	1.3
118.42831	0.8
178.91701	0.9
210.50070	0.9
217.00230	1.8
226.58177	0.8
229.29758	1.0
309.20618	1.5
349.25281	3.1
361.25211	1.1
363.23099	1.0
365.28387	6.2
374.99161	1.1
377.24597	1.0
379.26459	3.0
393.28085	4.0
395.29480	13.5
397.27420	1.7
409.27371	2.2
411.29324	4.3
427.28510	1.9
439.28467	11.6
444.05109	0.8
457.29507	100.0
458.29834	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	459.0863
Annotation	Spiropreussione B
Peak:m/z	Relative Intensity
51.75857	0.4
52.97962	0.5
54.75008	0.5
57.03459	0.5
59.01091	0.8
59.01373	11.2
61.98815	0.7
69.55138	1.9
69.55569	1.7
71.01371	1.7
71.18380	0.4
72.00892	1.7
73.02943	0.7
76.53863	0.4
79.95737	14.5
80.96534	2.3
83.84409	0.5
85.02943	1.3
85.34978	0.5
89.02454	0.6
93.03447	1.0
96.96004	5.2
100.00414	6.9
101.02475	0.8
113.02425	0.9
116.05060	8.4
118.01404	0.5
123.04546	0.8
125.02377	0.6
130.06642	2.6
132.02197	1.0
133.02895	0.9
134.03732	15.5
135.04523	4.7
142.06618	11.4
143.07002	0.5
144.04593	0.6
147.04468	0.8
148.04109	0.8
148.05298	14.6
149.06082	10.7
150.03128	0.6
156.06889	1.4
157.07690	12.8
158.08005	0.7
159.09230	0.9
160.01640	5.8
161.02507	3.3
161.04727	1.1
162.03227	2.4
162.05595	0.5
163.06418	1.5
173.04530	3.3
175.03979	10.6
176.07158	1.4
177.05594	2.5
178.05045	3.5
179.03384	0.6
181.07648	0.8
185.07312	0.5
186.05580	6.9
190.05074	3.9
191.05682	6.5
192.06102	0.7
196.00719	1.9
199.08783	0.6
203.08154	1.2
206.08145	3.3
222.02229	1.4
229.06169	9.5
231.06941	4.0
231.10222	0.9
231.57164	0.7
237.03362	11.0
239.06740	10.2
239.56921	0.9
240.06674	1.3
243.34511	0.5
250.07191	1.6
320.11630	3.7
335.14011	5.5
365.17960	2.6
379.12845	4.5
383.19095	0.6
415.09628	6.9
416.09290	0.7
459.08636	100.0
460.08887	9.3
469.72983	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.2258
Annotation	Unknow
Peak:m/z	Relative Intensity
70.10780	0.1
70.11082	0.7
98.19975	0.2
99.92575	5.7
100.93353	4.7
110.94999	0.1
113.92595	0.3
115.92065	100.0
116.92074	3.9
116.92854	5.8
117.92522	0.3
132.92337	1.2
142.94426	0.2
155.95203	0.4
172.95454	5.3
172.96967	0.3
173.95535	0.3
278.97369	0.2
283.26379	0.8
309.69788	0.2
383.18954	0.7
384.19769	0.2
399.18378	0.3
409.20416	0.9
439.21341	0.5
440.21933	0.2
457.22565	7.2
458.22778	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.2441
Annotation	Unknow
Peak:m/z	Relative Intensity
53.48030	1.3
57.03436	2.6
59.01361	5.7
61.98816	5.3
69.29128	1.4
71.01377	48.0
71.62167	2.1
95.46788	1.3
96.95998	5.6
96.99306	13.5
112.98721	2.1
113.09687	4.0
115.00365	100.0
116.00690	2.0
119.61414	1.5
125.09739	3.7
127.11294	3.0
129.01912	5.5
141.15778	1.4
147.03000	16.8
155.10777	2.1
171.10225	5.2
201.11278	16.0
213.11310	7.7
227.12738	1.9
247.20592	1.5
250.18060	1.3
277.22797	1.7
278.51724	1.4
291.19608	8.4
305.90341	1.5
309.20673	12.0
327.21756	45.6
328.21838	3.0
425.21680	27.1
426.21960	1.7
457.23233	2.9
457.26648	2.3
457.33121	32.0
458.33310	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	457.1348
Annotation	Unknow
Peak:m/z	Relative Intensity
52.69507	0.3
58.34921	0.3
58.97399	0.3
59.01366	0.9
62.03139	0.3
69.33157	2.2
71.01377	2.0
73.02953	0.8
85.02935	0.5
88.98782	0.9
89.02477	0.6
93.03459	0.7
93.26457	0.3
96.96006	1.0
99.00872	1.1
101.02433	0.5
113.02435	0.6
119.05016	100.0
120.05358	3.6
133.02940	0.7
145.02901	0.5
161.06104	0.5
163.03993	50.2
164.04358	1.9
173.04663	0.3
179.03416	0.3
191.05560	1.5
198.42336	0.3
205.05003	1.0
240.07445	1.3
264.34335	0.3
325.09259	1.0
344.41177	0.4
457.13455	63.0
458.13724	5.7
458.18878	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.1346
Annotation	Unknow
Peak:m/z	Relative Intensity
53.81937	0.4
56.70396	0.3
58.12438	0.3
58.25515	0.3
59.01381	3.7
61.17968	0.4
71.01380	3.0
71.61260	0.6
72.99321	0.6
73.02940	1.0
78.95922	0.3
82.07014	0.3
83.01386	0.4
85.02952	2.0
87.00879	0.6
88.13363	0.3
88.98806	0.5
89.02449	2.1
93.03439	2.3
96.95993	2.0
99.00882	1.2
99.94574	0.4
101.02448	1.1
109.02941	1.0
110.16696	0.4
113.02434	0.6
113.03593	0.4
118.05092	0.4
119.05021	100.0
120.05362	3.1
123.04520	0.6
123.16409	0.4
125.02464	0.9
131.03485	0.3
131.04594	0.4
133.02924	0.9
133.06631	0.4
135.04515	1.7
137.02451	0.8
149.04562	0.6
161.02443	1.5
161.06036	0.7
163.03998	66.1
164.04390	2.5
165.05560	1.4
173.04491	1.7
177.01956	0.3
177.05490	0.5
179.01820	0.3
179.03461	0.7
187.04041	0.4
189.05627	0.6
191.05589	9.0
192.05988	0.8
205.05020	0.8
240.07480	2.1
240.57574	0.5
241.07466	0.4
293.08597	0.8
295.10419	0.4
311.74298	0.4
371.11670	0.5
383.19162	0.6
429.60245	0.4
457.13571	48.5
458.07950	0.7
458.13901	4.4
458.19159	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.1138
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	0.5
55.20190	0.4
57.03430	1.3
59.01376	44.3
59.02845	0.4
60.99303	0.6
61.98801	0.4
67.01878	3.0
69.03452	0.9
71.01379	9.4
71.62040	0.6
72.99306	0.8
73.02946	2.6
81.03445	0.5
83.01389	1.4
83.05013	1.1
85.02935	4.7
85.14924	0.4
87.00882	1.5
89.02441	2.8
93.03453	19.0
94.03777	0.5
95.01382	0.7
96.95994	1.1
97.06557	0.6
99.00861	0.8
99.04491	0.5
101.02426	4.1
109.02946	1.1
111.00856	0.9
111.04517	4.7
113.02452	5.6
114.08732	0.4
119.03487	1.3
119.05014	0.7
121.02942	22.1
122.03256	0.7
127.04044	0.8
127.05122	2.1
128.03534	1.4
133.02950	1.2
135.04532	4.3
137.02440	4.0
143.03513	0.5
145.06154	1.6
149.02475	0.5
149.04512	0.5
155.03488	5.0
155.93810	0.5
161.02420	2.8
161.04579	1.3
164.28871	0.4
173.04529	100.0
173.96942	0.4
174.04874	2.3
179.03456	2.4
191.05600	16.2
192.05894	0.7
193.01718	0.6
240.04280	0.5
295.08194	35.9
296.08600	1.6
335.07727	1.1
353.08755	0.5
369.13147	0.9
397.22287	1.6
399.18411	1.1
415.23254	0.9
423.15836	0.4
439.27933	0.5
457.14685	1.0
457.29160	5.8
458.14926	0.7
458.29733	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.1137
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	36.0
61.98830	1.2
67.01875	1.1
71.01379	7.7
71.62947	0.7
72.99309	0.7
73.02930	2.6
79.95739	1.3
81.03453	1.1
82.95002	0.7
83.01386	1.3
83.05021	2.1
84.77941	0.6
85.02947	5.8
87.00880	2.9
89.02456	2.5
93.03448	7.9
95.01379	0.6
95.95258	0.9
96.95986	9.2
99.00872	0.9
101.02421	4.3
107.05022	1.2
109.02929	3.7
111.00860	0.7
111.04508	8.0
113.02445	3.0
113.03622	1.4
114.01980	0.7
119.03529	0.8
121.02947	100.0
122.03228	3.9
123.04511	1.2
125.02430	1.0
125.76002	0.6
127.04000	1.8
129.01926	0.9
131.04588	4.1
132.03023	0.7
133.02957	9.9
134.03781	3.2
135.04518	44.3
136.04805	3.5
137.02446	1.8
143.03508	1.1
151.03995	0.8
153.01834	0.8
155.03497	12.9
159.04478	1.6
161.02429	30.7
161.04585	1.8
162.02773	3.1
165.01904	0.7
173.04523	32.3
174.04782	1.0
175.07639	1.0
177.01839	0.9
178.02654	0.8
179.03482	34.0
180.03795	1.8
181.03989	0.7
187.07652	0.9
189.01920	0.6
191.05592	27.3
192.05927	1.6
203.03452	1.5
215.06912	0.6
217.01285	1.1
231.06917	4.3
235.81920	0.8
239.06595	4.1
239.56886	1.1
241.05006	1.5
277.07196	6.8
295.08218	14.6
296.08453	0.9
325.20126	0.7
335.07718	23.2
336.07968	1.4
341.06641	2.7
353.08939	1.1
365.17813	7.5
366.18195	2.0
383.19031	2.0
397.16644	1.4
397.22043	1.3
415.23318	1.7
451.10083	1.5
457.11890	11.8
457.19406	2.1
458.12216	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.0986
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01365	2.4
60.99304	15.4
61.98820	1.8
69.95101	0.8
70.70880	0.8
71.01377	1.3
76.99467	0.8
85.02950	2.0
88.98801	100.0
91.98704	0.9
93.03470	3.8
96.95995	2.6
101.39499	0.8
109.02920	1.0
119.05000	1.5
125.02385	0.8
134.03723	1.9
135.04529	2.4
149.25584	0.7
157.36752	0.8
161.02437	2.0
163.03955	1.3
173.04507	3.8
175.03928	1.2
179.03476	1.4
191.05598	18.8
192.05899	1.4
251.08015	0.8
295.69891	0.8
367.10242	3.4
426.92929	0.9
458.18982	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	455.2285
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	3.7
59.01365	12.6
61.98821	9.7
71.01380	35.9
71.62254	2.6
76.23326	2.0
79.89519	1.7
91.30467	1.6
96.14562	1.7
96.96046	3.8
96.99332	11.7
98.97727	1.6
111.08141	2.4
112.98818	2.2
115.00369	100.0
125.09724	6.6
126.29748	1.8
127.91840	1.7
129.01959	4.4
137.09608	1.6
146.97675	1.6
147.02992	19.8
171.10292	8.4
189.01939	8.5
191.05644	2.1
201.11293	11.6
209.11813	4.8
213.11244	7.1
213.94019	1.5
227.12834	2.3
289.18073	4.9
307.19128	16.2
325.20203	27.1
326.20404	2.1
423.20251	24.5
424.20532	3.4
437.12323	2.6
455.22836	1.7
455.35278	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	455.3528
Annotation	Unknow
Peak:m/z	Relative Intensity
54.60198	0.1
59.01368	0.3
71.62012	0.1
85.02911	0.2
88.14631	0.1
89.20757	0.1
100.12944	0.1
177.07338	0.1
179.92526	0.1
200.28838	0.1
407.33142	1.2
408.33633	0.2
411.32648	0.3
455.35245	100.0
456.35602	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	455.3525
Annotation	Oleanolic acid
Peak:m/z	Relative Intensity
50.47129	0.2
71.45260	0.2
90.12682	0.2
110.76081	0.2
125.96063	0.2
127.62814	0.2
133.07198	0.2
140.13589	0.2
140.38248	0.2
149.49602	0.2
407.32855	0.4
455.35251	100.0
456.35590	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	455.2284
Annotation	Lys Phe Tyr
Peak:m/z	Relative Intensity
59.01376	100.0
60.01710	1.1
61.98831	2.2
70.52050	1.2
71.01384	2.5
73.02957	1.1
78.95911	0.7
79.95731	3.8
80.96526	0.7
81.03437	0.7
83.01382	0.5
83.79977	0.5
85.02975	1.2
87.00891	1.4
89.02464	1.4
93.03473	1.8
96.96002	9.3
96.96972	0.6
97.02970	0.6
99.00900	1.1
101.02432	1.2
105.01935	0.7
108.02166	0.7
109.02955	1.5
109.06599	0.5
113.02456	0.8
117.03432	0.7
121.02966	1.1
123.04538	0.6
125.02455	1.2
127.00378	0.5
133.02934	4.9
134.03737	1.9
135.00937	0.6
135.04521	14.0
135.05492	1.0
136.04871	0.8
137.02480	1.9
149.06053	0.6
151.04054	1.3
151.07657	0.7
152.01129	0.6
153.01910	0.9
159.04584	0.7
161.02426	15.1
163.00354	3.9
164.01067	0.5
165.01949	0.8
165.04074	3.7
167.03540	1.3
173.04594	2.4
175.03992	1.0
176.01201	0.5
177.02036	0.5
177.05556	0.7
178.02791	0.7
179.03488	10.1
187.07628	2.0
191.03825	1.0
191.05583	6.8
191.07126	0.9
193.05106	0.7
194.05949	0.9
202.06285	1.1
203.07085	0.8
205.05084	0.7
209.11719	0.6
213.09210	0.8
217.01451	0.7
221.04576	0.7
239.06728	8.1
239.56921	2.3
240.06560	0.7
245.08153	0.6
256.11630	0.6
289.07294	1.5
293.06537	0.8
307.11987	1.1
327.15927	0.6
330.11145	0.7
345.13464	2.8
345.17194	1.2
353.08917	1.5
375.14072	0.6
381.17679	1.4
395.20801	3.1
403.00015	0.5
427.74377	0.5
455.10281	9.6
455.17194	0.6
455.20746	1.7
455.35342	1.4
456.11414	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.1767
Annotation	Unknow
Peak:m/z	Relative Intensity
51.94951	1.2
57.03458	2.5
59.01376	24.2
64.04734	1.7
71.01380	38.4
71.05019	2.0
71.60865	2.9
72.99326	2.1
73.02937	12.0
79.95747	2.2
83.01398	4.6
85.02948	17.5
89.02441	31.5
95.01374	2.7
96.96004	15.1
97.02943	1.7
98.95592	5.0
99.00872	10.3
101.02438	23.0
101.06097	7.4
109.02973	2.0
113.02427	13.0
119.03489	3.5
119.95624	1.5
123.00849	1.8
125.02452	8.2
126.18372	1.5
131.03502	4.4
135.04520	4.9
139.03987	6.7
143.03499	2.0
145.39354	1.7
149.04555	12.0
159.02997	2.0
161.04585	10.1
173.04604	1.6
179.03477	2.2
179.05663	2.4
191.05609	13.0
192.05972	2.3
213.18295	1.4
216.05652	1.5
233.06584	5.9
251.07698	2.9
263.11371	5.4
286.48001	1.9
292.59351	1.5
293.08875	4.0
307.07916	1.5
341.08975	1.8
395.15512	100.0
396.15845	6.0
455.11713	3.3
455.35327	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	455.1013
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01099	1.5
59.01376	19.8
61.98816	1.5
62.43749	0.7
66.82481	0.7
68.90392	0.6
69.46477	4.3
71.01377	3.3
78.95897	1.4
79.95735	23.5
80.96505	2.7
84.84616	0.6
85.02938	1.5
89.02447	1.6
93.03446	1.1
96.95999	11.8
98.19882	1.5
101.02419	2.2
109.02932	1.1
121.02929	1.5
125.02409	1.1
133.02921	4.6
134.03726	2.1
135.04517	18.5
136.04875	0.8
137.02406	1.9
138.03233	1.4
140.01140	0.8
145.02992	0.9
147.04443	1.2
149.06035	0.9
152.01166	1.1
161.02438	14.7
163.00404	1.4
163.03983	4.2
164.04753	0.9
165.01894	1.0
165.04053	0.9
166.02699	6.1
173.04512	1.2
174.03206	2.0
175.00304	0.7
175.03963	9.0
176.04767	9.7
177.05556	16.5
178.02679	1.1
178.05945	1.0
179.03500	18.4
179.07265	0.7
180.04239	4.7
187.07585	0.9
189.05516	1.8
190.06346	3.3
191.03456	0.7
191.05559	2.6
191.07112	13.7
192.04266	0.9
192.07506	0.9
193.05040	5.5
194.05826	22.3
195.06206	0.8
205.08748	1.7
207.06535	1.5
208.07399	9.0
209.08092	2.9
209.11848	1.2
211.21617	0.7
239.06628	8.3
239.56825	1.1
240.06769	1.3
262.54605	0.6
330.11108	3.0
345.13382	48.9
346.13696	4.4
353.08789	3.5
373.13074	1.6
375.14511	1.3
378.52563	0.7
381.17358	0.7
395.09644	0.8
395.19168	3.7
440.08371	0.7
454.19687	0.8
455.10156	100.0
456.10504	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	453.3371
Annotation	Betulonic acid
Peak:m/z	Relative Intensity
52.40325	0.3
57.53658	0.3
61.98835	0.3
66.52766	0.3
71.62172	0.4
100.66521	0.3
115.79816	0.3
393.31546	1.6
409.34543	1.6
453.33694	100.0
454.34006	13.5
479.22534	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	454.1562
Annotation	Unknow
Peak:m/z	Relative Intensity
51.41254	0.3
58.00600	0.4
59.01375	15.6
61.98826	100.0
65.74313	0.3
69.03442	0.6
69.26307	0.4
69.59378	2.1
71.01374	9.2
73.02942	16.1
75.00877	1.3
81.03442	0.5
83.01388	3.9
85.02959	0.9
86.46759	0.3
87.70448	0.3
89.02429	0.5
93.03478	0.4
96.96017	0.8
97.02945	0.7
98.20602	0.6
99.00844	0.4
101.02435	12.3
102.02756	0.4
102.05615	0.4
113.02446	1.9
119.50040	0.3
125.02464	1.6
133.02948	0.4
135.04544	0.8
143.03520	2.3
143.10767	17.2
144.11108	0.5
146.04622	0.7
155.03535	1.0
157.12337	3.0
161.04565	1.3
185.11839	4.3
186.12326	0.4
191.05556	0.6
197.11783	0.7
203.05655	2.7
215.12886	1.4
269.08215	0.4
347.17163	0.4
454.14963	0.5
455.13898	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	454.2919
Annotation	Unknow
Peak:m/z	Relative Intensity
54.17513	0.6
57.01693	0.6
59.01389	3.3
61.98827	100.0
71.41622	0.7
79.95734	0.5
95.83421	0.6
96.96008	0.7
171.10281	0.9
186.69554	0.6
205.87033	0.5
209.11760	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.1973
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	1.0
58.00588	2.6
59.01374	100.0
59.36586	0.8
64.66717	0.8
69.03447	1.8
71.01379	28.3
71.61450	1.3
72.99305	3.1
73.02944	20.2
75.00899	1.3
76.41498	1.0
76.78996	1.0
78.65424	1.0
83.01385	3.5
83.02118	1.0
85.02943	8.3
85.18960	1.1
86.00100	1.2
86.03259	1.1
86.22086	0.9
87.00870	6.5
87.04516	2.3
89.02437	36.2
93.03439	1.9
95.01379	2.4
99.00861	1.1
101.02437	44.8
103.04000	17.0
109.02969	1.3
113.02444	7.2
115.04008	6.1
119.03482	15.8
121.03013	1.1
125.02459	2.4
126.55828	1.1
127.04027	1.2
131.03502	8.7
143.03500	10.9
144.33017	0.9
145.05029	5.2
161.04572	2.5
163.06108	66.6
164.06366	1.5
173.04564	2.1
179.05540	5.1
191.05576	3.7
205.07150	19.0
232.06065	0.9
241.75829	1.1
247.06381	3.2
247.11827	3.4
258.01718	1.3
259.02350	2.9
261.04120	2.3
265.09286	7.9
271.02383	1.5
287.01968	6.9
289.03522	2.4
315.01434	7.5
317.03000	2.5
333.02444	3.5
345.02383	3.6
363.03406	1.1
393.17624	47.1
394.17889	3.6
435.05682	6.8
453.06708	10.0
453.12744	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	453.1971
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01891	2.0
57.03452	1.9
58.00573	3.2
59.01377	82.0
61.98829	17.2
62.01430	1.6
71.00996	3.1
71.01379	56.7
71.05045	2.2
71.62014	2.0
72.99297	4.7
73.02944	13.4
79.95747	3.2
81.03445	1.6
83.01379	4.9
85.02959	12.6
87.00852	4.0
88.26315	1.5
88.98818	2.5
89.02441	100.0
92.76362	1.5
93.03442	16.3
95.01377	3.3
96.96017	23.0
97.02918	2.6
99.00874	19.3
99.04481	2.1
101.02435	38.5
109.02940	4.4
111.00882	2.1
111.04554	1.9
113.02420	15.9
117.05567	19.4
119.03493	14.5
123.04532	1.8
125.02462	8.7
127.78540	1.6
131.03494	13.8
133.03069	1.8
134.03740	4.4
135.04514	7.5
137.02446	25.8
143.03496	4.3
145.02951	3.0
147.04506	2.5
149.04553	45.6
159.04433	2.0
160.79195	1.5
161.02444	9.1
161.04529	5.2
162.03207	2.1
163.00537	1.9
163.03969	4.4
164.01114	2.0
165.01936	6.1
167.03482	3.0
173.04582	14.1
174.03178	2.2
175.03943	8.2
177.01924	2.2
179.03508	4.3
179.05626	12.6
189.01965	2.7
191.03490	14.5
191.05582	29.3
191.07137	3.3
193.06206	2.6
199.03867	2.3
203.03520	1.9
215.07056	2.5
217.08571	3.1
225.05661	2.2
227.07106	5.4
233.06596	3.2
247.06406	3.4
249.07698	3.2
251.07666	5.6
253.04907	2.0
261.13364	5.1
285.58905	1.9
287.01965	4.8
291.10629	3.3
315.01364	5.8
317.02786	2.6
321.19269	2.7
333.02466	2.4
345.02490	3.9
385.47574	1.8
393.17627	86.8
394.17892	7.2
417.14926	2.2
435.05478	3.0
453.06656	4.0
453.12119	8.9
453.18164	7.7
453.23520	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	453.153
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03470	1.2
59.01377	78.5
59.31667	1.2
61.82177	1.3
61.98830	1.1
71.01382	12.7
71.62244	1.9
73.02924	4.4
79.95734	27.0
80.96509	5.3
81.30345	1.1
83.01340	1.3
85.02940	7.3
87.61814	1.3
89.02473	2.0
93.03439	4.9
95.95229	1.7
96.95995	14.0
101.02435	4.6
109.02917	3.0
113.02452	5.4
119.05013	1.5
122.36636	1.3
130.21255	1.2
133.02902	1.5
134.03696	1.2
135.04523	4.8
136.01633	22.1
137.02454	10.2
138.03207	5.2
140.01091	1.5
149.02492	1.8
150.03185	1.1
151.02852	2.4
151.03995	33.7
152.01146	6.2
153.01884	3.3
161.02449	3.4
161.04581	4.5
163.04008	1.8
167.03459	6.1
173.04543	3.3
177.01877	1.6
177.05524	3.3
177.34424	1.2
178.02783	2.0
179.03467	7.0
181.05092	1.7
191.03821	1.7
191.05580	13.6
193.04999	2.8
195.02980	2.4
207.06554	1.5
213.05707	1.4
222.05467	1.3
231.06911	4.1
231.57150	2.2
239.06683	14.2
239.56808	5.3
240.06595	2.7
250.03085	1.2
331.17581	8.3
358.10532	35.3
359.10696	2.7
365.17789	1.9
371.11249	1.6
373.12872	40.7
373.18283	3.3
374.13177	3.8
400.79132	1.3
421.14893	1.6
435.12943	1.6
453.08551	100.0
453.22318	14.4
454.08899	7.0
454.19495	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	453.0858
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	5.7
61.98832	2.1
62.75168	0.9
69.63164	3.6
69.63580	2.2
76.71400	0.9
78.16210	0.9
79.95730	22.8
80.96512	4.1
85.02936	0.9
93.03444	2.7
93.73833	0.9
94.50917	0.8
96.96007	5.4
107.62993	0.9
108.02185	1.2
109.02935	1.5
117.54859	0.9
125.02379	1.3
135.04521	1.8
136.01651	36.2
137.02448	10.0
138.03227	5.7
140.01181	1.3
150.03218	1.0
151.03995	52.1
152.01137	6.1
152.04234	1.5
153.01884	2.0
160.05292	1.0
161.02402	1.4
162.03267	1.6
163.03998	1.6
165.05518	1.1
167.03465	7.0
173.04495	1.9
175.03964	1.8
175.07646	1.8
176.04854	1.1
177.01796	1.0
177.05482	1.8
178.02682	1.8
179.03441	4.0
181.04933	1.5
191.03429	1.4
195.02893	1.5
206.05855	1.5
207.06618	2.0
218.94984	0.9
231.06911	1.0
260.55325	0.9
312.40121	0.9
336.68790	0.8
358.10498	25.1
359.10800	2.4
364.38318	1.0
371.11340	1.8
373.12900	33.6
373.17682	2.1
374.13223	2.2
417.15424	2.8
453.08533	100.0
454.08810	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	453.1013
Annotation	Unknow
Peak:m/z	Relative Intensity
53.22927	0.2
53.76053	0.2
59.01365	0.6
61.98810	0.4
71.01363	0.5
71.60542	0.4
76.35464	0.2
78.95899	97.5
86.93248	0.3
87.00886	0.3
89.02402	0.4
108.90189	0.8
110.89909	19.1
110.98524	100.0
111.98866	0.7
115.00339	0.4
131.34149	0.2
135.04498	0.9
147.02954	0.2
157.90344	0.3
191.05592	2.0
204.25545	0.3
210.70021	0.3
213.90273	0.2
216.99036	0.3
219.50052	0.3
240.67407	0.2
273.03702	0.2
277.88278	0.3
278.76019	0.2
317.03751	0.3
341.10794	0.8
353.08661	0.6
385.86411	0.3
391.04492	0.6
453.10101	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	452.2777
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01363	0.6
61.98819	0.6
71.08908	0.7
78.95902	4.4
85.02988	0.5
94.68558	0.4
96.96041	0.5
131.03494	0.6
140.01158	1.6
149.12451	0.4
196.03749	0.9
214.04820	2.7
255.23277	100.0
256.23563	5.1
347.64767	0.4
393.15002	0.5
393.19641	5.2
408.64380	0.5
452.27710	10.9
452.33633	0.8
453.27884	1.0
453.33588	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.0698
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	15.7
61.98826	1.9
68.70380	0.4
71.01375	3.1
73.02932	0.6
78.95904	4.2
79.95730	3.0
84.29998	0.4
85.02946	1.2
87.00864	0.9
89.02439	3.6
93.03465	2.1
96.96008	100.0
96.96897	5.6
97.95958	0.6
98.95644	0.4
99.00867	1.0
101.02444	3.1
108.02193	0.4
113.02456	1.1
114.93412	1.0
117.05588	0.9
119.10829	0.4
131.03511	1.4
133.02892	0.6
134.03741	1.1
135.04510	0.9
137.02414	0.7
149.04532	2.8
161.02443	1.4
161.04529	0.7
162.02895	0.5
173.04507	3.6
175.03983	1.0
177.01971	0.5
179.03481	0.7
179.05736	0.4
187.09637	0.5
191.05595	4.0
193.04932	0.6
214.59651	0.5
233.06566	2.5
253.76538	0.4
256.76007	0.4
269.10333	0.8
287.02078	0.7
311.11295	0.6
315.01837	0.5
349.09241	0.8
393.17554	1.6
414.26736	0.5
415.16055	1.1
453.07034	0.5
453.13480	1.8
453.19150	0.7
454.13272	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	452.278
Annotation	LysoPE(0:0/16:0)
Peak:m/z	Relative Intensity
52.56167	0.1
61.98814	0.3
62.96404	0.3
64.81585	0.1
71.62160	0.1
78.95899	25.9
96.96951	0.6
104.97434	0.2
122.00122	0.8
122.98497	0.1
131.03517	0.1
134.98511	0.3
140.01181	5.3
152.99573	2.9
160.84093	0.1
166.02715	0.2
171.00592	1.3
196.03780	9.7
197.04060	0.1
214.04837	2.2
237.22137	0.2
255.23267	100.0
256.23608	6.9
282.85751	0.1
391.22641	0.1
392.18530	0.1
452.27765	34.5
453.28128	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	452.2779
Annotation	Glycerophospho-N-Palmitoyl Ethanolamine
Peak:m/z	Relative Intensity
57.28161	0.3
58.53277	0.3
61.98813	0.8
62.79787	0.3
71.09319	0.3
71.59607	0.3
71.62538	0.3
74.80461	0.3
78.95900	100.0
92.16868	0.3
96.96957	7.7
140.01155	0.8
152.99576	19.2
171.00626	20.6
196.03827	0.6
198.35178	0.3
245.67622	0.3
255.23247	5.6
284.75687	0.3
378.24200	2.1
452.27789	63.0
453.28076	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	451.1613
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03458	1.6
57.85292	0.7
59.01376	6.2
60.99310	4.7
61.98829	0.8
64.15886	0.6
65.03965	0.6
67.01888	10.3
69.03439	2.9
69.29781	5.5
69.30197	1.4
71.01380	5.9
72.99263	0.7
73.02950	0.7
79.47459	0.7
81.03448	2.3
83.05019	1.8
85.02948	6.1
87.00875	14.5
93.03452	81.1
94.03785	2.5
94.98418	0.6
96.95985	3.8
97.06565	1.7
98.19896	1.1
98.36097	0.7
99.00901	1.0
107.05037	0.9
107.08958	0.7
109.02960	8.2
111.04508	12.9
113.02443	1.1
123.01211	0.7
123.04513	2.5
124.53084	0.6
125.02443	0.8
127.03973	2.4
129.01904	2.7
133.02931	0.8
134.03714	1.0
135.04524	12.5
135.20245	0.7
137.02423	2.9
151.04005	1.0
153.01924	0.8
155.03510	7.2
158.03647	0.8
161.02434	2.8
161.06062	1.0
162.03160	1.1
163.03973	2.0
172.05278	1.0
173.04536	83.0
174.04849	4.5
175.05035	1.6
175.07622	0.9
176.04756	1.1
177.01900	6.5
177.09195	3.4
179.03580	1.6
186.06812	0.9
187.03976	0.9
187.07619	4.7
188.04803	0.9
188.07846	1.4
189.01903	6.5
189.05641	1.1
189.09192	2.1
190.02611	3.0
191.05597	45.2
192.05942	3.5
193.06029	3.1
202.02664	0.8
204.07872	1.6
205.08705	2.1
215.10794	3.5
216.00732	1.0
217.01352	3.3
217.08690	1.0
231.02957	1.0
231.10129	0.7
232.06923	1.0
233.06985	1.1
233.11816	6.7
253.65704	0.8
259.09390	1.5
272.41534	0.9
275.09207	1.6
276.09613	1.0
277.10809	16.3
281.04495	1.3
281.96887	0.9
287.05502	0.8
297.07440	0.9
299.05652	4.0
341.06598	16.6
342.07098	1.5
348.88687	0.8
433.14822	1.6
451.10425	6.8
451.15997	100.0
452.16330	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	451.124
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	1.5
59.01379	3.3
61.07156	0.4
61.98822	1.3
69.03442	0.5
70.00778	1.2
70.01210	0.7
71.01383	1.3
73.02964	0.5
81.03440	2.4
82.95412	1.7
83.01385	2.3
83.02496	1.8
85.02949	1.6
86.91086	0.4
89.02441	1.8
93.03446	2.2
95.01364	0.5
95.05019	2.4
96.96011	15.9
97.02945	3.5
98.20525	0.7
98.95628	0.4
101.02440	1.0
104.03544	0.4
105.03465	0.4
108.02135	0.9
109.02950	18.2
111.00903	0.6
111.04551	0.6
113.13873	0.3
119.03424	0.8
119.04990	0.4
120.02094	0.5
121.02958	2.6
123.04523	11.8
125.01488	0.7
125.02438	14.3
135.04517	2.8
137.02440	9.9
138.03212	0.5
139.03983	3.0
143.05051	0.5
145.02919	1.3
146.03699	0.9
147.04524	0.9
149.02434	5.8
150.03212	0.8
151.03998	6.9
159.04546	1.9
160.05305	0.9
161.02441	3.1
161.04739	0.6
161.06055	3.9
162.03180	1.2
163.03995	1.6
164.01120	2.6
165.01909	3.8
166.02670	0.5
167.03525	1.9
173.04530	1.3
173.05966	0.7
174.03268	0.4
175.03937	2.1
175.07600	1.5
177.05643	0.4
179.03496	5.6
181.07372	0.7
184.07208	0.8
185.06068	0.8
187.03984	3.8
188.01155	0.5
188.04784	2.9
189.01920	0.6
189.05353	0.6
191.03752	0.8
191.05589	12.6
192.05943	0.8
199.07614	0.4
201.05571	0.7
202.06320	1.6
203.03433	0.6
203.07126	11.2
205.05035	7.8
206.05489	0.4
212.04800	0.6
217.08646	0.6
221.08221	2.4
225.06171	0.5
227.07123	1.7
231.02965	0.5
236.06702	1.3
241.04979	0.9
245.08168	15.8
246.08333	0.6
247.06079	1.1
256.07495	0.5
271.06091	1.5
271.09689	0.9
289.07172	100.0
290.07520	6.5
301.03537	0.4
313.03793	0.4
313.07095	1.8
353.08569	1.8
355.08304	0.6
383.18796	0.9
450.18781	0.6
451.11490	1.8
451.18637	6.8
452.22757	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.1246
Annotation	Unknow
Peak:m/z	Relative Intensity
52.86512	0.3
57.03251	0.5
57.03554	1.7
59.01161	0.6
59.01486	2.5
61.98935	1.5
69.03548	0.5
69.39221	1.5
69.39645	1.3
71.01129	0.7
71.01505	1.2
73.03045	0.4
79.95822	0.5
81.03595	1.7
81.95421	0.4
82.93797	0.3
82.95552	2.0
83.01530	2.4
83.02627	1.1
85.03078	1.7
87.00996	0.4
89.02094	0.4
89.02597	1.4
93.03600	2.5
94.03104	0.4
95.01509	0.5
95.05168	2.5
96.95147	1.0
96.95461	2.7
96.96156	26.6
97.03090	4.3
98.95702	0.8
99.04639	0.4
101.02573	1.1
104.03642	0.7
108.02306	0.7
109.02277	1.3
109.03094	18.4
110.03385	0.4
111.00991	0.5
111.04600	0.7
113.02535	0.4
117.03631	0.5
119.02708	0.3
119.03632	0.5
121.02966	2.6
122.03802	0.6
123.03729	0.6
123.04521	10.8
124.05241	0.5
125.01627	0.6
125.02437	11.8
126.02868	0.4
127.04121	0.4
133.03079	0.8
135.04535	2.7
135.05489	0.3
137.02435	9.9
138.03241	0.6
139.03973	2.4
142.06750	0.4
145.03125	1.4
146.03886	1.1
147.04597	0.5
149.02426	5.5
149.06131	0.4
150.03304	1.0
151.03989	7.2
158.03940	0.4
159.04555	2.2
160.05414	1.2
161.02437	3.3
161.06065	4.1
162.03276	1.5
163.00568	0.4
163.04024	1.6
163.90068	0.3
164.01143	2.4
165.01904	4.0
167.03459	1.6
168.04266	0.8
173.04671	1.9
173.06017	0.8
174.03204	0.6
175.03999	2.1
175.07614	1.6
177.02136	0.4
177.05664	0.7
179.03493	6.3
180.04134	0.3
181.07439	1.2
183.04562	0.4
183.42950	0.3
184.07375	0.9
185.06187	1.0
187.04010	4.4
188.04790	2.7
189.02011	0.7
189.05600	0.4
191.05605	17.7
192.06038	1.3
193.06250	0.6
199.07664	0.6
201.05728	0.9
202.06352	1.9
203.03719	1.0
203.07111	10.0
204.07706	1.0
205.05054	7.1
205.06786	0.5
212.04958	0.6
213.05934	0.4
217.05193	0.6
217.08801	0.5
221.08145	2.7
225.06319	1.2
227.07091	2.0
229.04944	0.4
230.05850	0.8
231.03008	0.8
236.06819	2.2
241.05084	0.7
245.08163	16.5
246.08569	0.8
247.06239	1.2
271.06070	1.1
271.09818	0.7
289.07150	100.0
290.07504	7.3
299.05679	0.5
301.03394	0.5
313.03497	0.6
313.07050	1.5
317.10254	0.4
331.04611	0.6
353.08682	2.4
355.08005	0.5
383.18634	1.0
402.32556	0.4
403.23804	0.3
407.14233	0.6
433.17151	0.5
450.18784	1.6
451.11365	2.0
451.18121	11.6
452.17859	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.1031
Annotation	Unknow
Peak:m/z	Relative Intensity
50.42813	0.4
53.80375	0.5
54.32564	0.4
65.00298	0.5
69.42101	3.0
69.42515	1.2
81.03436	1.7
83.05017	4.0
93.03428	0.7
95.04980	1.2
103.05595	0.5
109.02945	22.9
117.03423	1.1
119.04962	0.9
121.02903	0.8
123.04516	12.9
124.04860	0.5
133.02945	3.0
135.04485	1.2
137.02454	0.6
145.02905	1.6
147.04485	4.1
150.03209	1.2
151.03987	5.0
159.04543	0.9
161.02428	7.2
162.03128	0.7
163.04115	0.6
173.04356	0.5
176.01125	0.7
177.01904	20.9
178.02281	0.7
187.03989	1.3
187.07526	0.7
189.01913	50.6
190.02686	10.9
191.03493	10.1
191.05385	1.3
192.05861	0.7
193.06049	1.0
203.03488	6.6
216.00621	7.2
217.01379	31.3
218.01950	3.0
219.02942	13.3
220.03241	0.8
224.17648	0.7
225.16080	2.2
231.02931	10.5
232.03496	1.0
233.04715	0.9
233.11700	0.6
239.61974	0.5
257.90552	0.5
259.04391	0.5
263.47983	0.5
277.10727	1.7
279.06580	0.5
281.04529	0.9
289.07117	2.0
305.04538	0.5
323.05521	1.5
341.06610	100.0
342.06964	7.5
347.82132	0.6
433.31952	1.2
451.10297	30.0
451.15213	1.2
451.32837	19.4
452.10492	2.9
452.33170	0.7
468.97592	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.1032
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03458	2.4
59.01385	9.0
60.99290	4.0
63.60158	1.0
65.03940	1.3
67.01613	1.0
67.01898	11.7
69.03444	3.3
69.31456	8.0
71.01366	5.0
81.03438	3.6
83.04995	2.2
85.02940	5.8
86.02557	1.0
87.00876	18.3
89.03962	1.1
93.03455	82.5
94.03783	2.8
95.05026	1.7
96.95993	2.1
97.06585	1.8
108.02155	1.1
109.02953	32.5
111.03925	1.1
111.04522	11.8
113.02402	1.4
119.05015	1.9
121.02921	1.6
123.04522	8.7
125.02451	1.9
127.03968	2.0
133.02946	6.3
134.03696	4.9
135.04529	16.3
137.02448	9.0
147.04501	1.9
149.02449	1.8
151.03996	8.6
155.03500	8.2
159.04500	2.8
161.02440	10.3
161.06033	1.9
162.03162	6.7
163.03949	7.5
173.04544	91.5
174.03442	1.0
174.04883	4.9
175.05103	2.4
176.01105	1.6
177.01920	37.2
177.09142	3.4
178.02267	1.0
179.03403	1.3
187.04022	5.2
187.07654	5.8
188.04727	3.6
188.07953	2.5
189.01910	34.9
189.05563	1.6
189.09264	1.9
190.02704	13.6
191.03685	2.6
191.05598	44.1
191.07347	2.5
192.05931	5.2
193.06017	4.6
199.07584	1.2
202.06206	1.2
203.03412	1.2
203.06906	1.3
205.08652	3.5
213.05524	1.0
215.10760	4.1
216.00601	6.8
217.01410	8.2
218.02124	2.5
219.02962	4.9
222.01653	2.2
227.07126	1.3
229.08670	3.3
231.02896	3.5
231.10201	1.6
232.03534	1.6
232.07040	1.3
232.10545	1.8
233.07022	1.6
233.11955	6.0
275.09375	1.7
276.09503	2.1
277.10815	17.6
281.04495	12.3
282.05099	1.5
287.05566	3.8
289.07007	2.8
297.07724	5.5
299.05600	23.1
300.05930	1.7
341.06628	93.5
342.06952	7.4
433.14578	1.2
451.10181	22.7
451.15958	100.0
452.10724	2.8
452.16324	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	451.1031
Annotation	Unknow
Peak:m/z	Relative Intensity
50.16530	0.5
69.42057	4.0
93.01177	0.5
93.03463	1.2
95.05014	1.0
105.03488	0.7
109.02940	26.1
110.03284	0.5
114.43745	0.5
121.02979	0.6
121.15923	0.5
123.04512	12.8
133.02942	4.7
135.00856	0.7
145.02945	2.0
147.04497	4.0
150.03181	0.6
151.03978	5.6
159.04520	1.4
161.02412	6.3
162.03206	1.1
163.03992	1.2
176.01129	1.2
177.01913	24.0
178.02228	0.8
187.03951	1.2
189.01906	50.4
190.02654	10.6
191.03494	11.6
191.05380	1.1
203.03461	4.5
204.66148	0.5
216.00623	7.6
217.01392	31.1
218.02019	3.2
219.02972	11.9
229.08559	0.8
231.02953	9.3
232.03424	0.5
233.04587	0.6
281.04562	1.9
287.05597	0.6
289.07120	1.7
295.32147	0.5
297.07587	0.9
299.05484	2.2
323.05627	1.5
341.06619	100.0
342.06961	7.9
451.10306	28.5
452.10724	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	451.103
Annotation	Unknow
Peak:m/z	Relative Intensity
62.22926	0.3
65.00336	0.4
71.07518	0.7
77.42690	0.3
81.03460	0.3
82.96532	0.3
86.58287	0.3
89.03957	0.4
91.01851	0.5
91.89363	0.3
93.03436	0.7
95.05018	1.0
103.05536	0.4
105.03462	0.6
108.02180	0.6
109.02946	22.8
109.75966	0.3
111.98594	0.3
117.03445	0.7
119.04999	0.6
121.02955	0.8
122.03729	0.4
123.04522	11.9
133.02948	3.7
135.00877	0.6
135.04462	0.5
145.02963	2.0
147.04523	3.9
149.02391	0.9
150.03204	1.2
151.04002	5.7
159.04526	1.4
161.02434	6.5
162.03140	0.6
163.04031	0.7
173.02502	0.3
173.04553	0.4
175.04039	0.5
176.01146	0.9
177.01924	23.7
178.02303	0.8
187.04045	1.6
189.01926	51.8
190.02679	11.4
191.03499	11.0
192.03886	0.7
201.01939	0.6
203.03494	6.2
204.03712	0.3
213.01959	0.4
216.00624	7.6
216.02611	0.6
217.01404	36.6
218.01978	3.6
219.02975	14.4
220.03305	0.8
222.01651	0.5
231.02972	11.8
232.03572	1.3
233.04562	1.0
244.92972	0.3
245.08040	0.4
281.04483	0.6
284.29886	0.4
289.07147	2.4
323.05521	1.5
341.06625	100.0
342.06946	8.1
451.10303	27.8
451.53595	0.3
452.10513	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.103
Annotation	Unknow
Peak:m/z	Relative Intensity
58.91177	0.5
64.60603	0.4
69.62669	2.9
89.03970	0.8
91.01866	0.6
95.05027	1.3
98.17716	0.5
103.05497	0.7
108.02172	1.2
109.02942	24.7
117.03460	1.3
117.67412	0.4
121.02985	0.8
123.04520	12.2
132.43515	0.5
133.02931	4.2
135.00893	0.9
135.04559	0.5
145.02925	1.9
147.04510	4.9
148.01637	0.8
149.02449	0.5
150.03189	0.9
151.03990	6.0
159.04456	2.4
161.02437	5.7
162.03146	0.6
175.04024	0.7
176.01143	1.1
177.01917	21.5
178.02261	0.9
187.03996	1.5
189.01912	55.2
190.02669	12.8
191.03476	11.3
192.03758	0.5
201.01784	0.6
203.03467	6.0
216.00613	9.2
217.01390	25.6
218.02005	2.0
219.02959	10.6
220.03275	0.7
231.02969	7.8
232.03474	0.8
233.04349	0.8
281.04590	0.6
289.07156	1.7
297.25119	0.4
323.05563	1.0
341.06616	100.0
342.06946	9.1
451.10287	29.3
451.32562	0.7
452.10498	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.0539
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01411	0.3
60.29124	0.3
60.86315	0.2
61.64714	0.2
70.15491	0.4
70.15884	0.6
79.95734	2.1
85.02936	0.7
96.96004	100.0
97.95972	0.3
98.19907	0.3
98.95562	0.2
114.16189	0.2
119.00182	0.3
129.06601	0.2
135.04381	0.3
173.04556	0.3
191.05594	16.2
192.05847	0.3
305.22919	0.3
316.41040	0.3
353.08688	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	451.0544
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45984	0.3
52.60067	0.2
58.75007	0.2
59.01365	0.4
66.36710	0.2
70.63950	0.5
71.01385	0.2
78.95896	1.1
79.95737	2.1
85.02937	2.5
87.00858	0.5
93.03444	1.0
94.52840	0.2
96.96004	100.0
97.95937	0.3
98.95601	0.7
102.88804	0.3
106.37859	0.2
109.02907	0.3
111.04546	0.6
116.36832	0.2
127.04016	0.6
133.02902	0.3
135.04512	1.7
137.02417	0.5
161.02426	1.0
173.04607	1.6
179.03448	1.4
184.97678	0.4
191.05597	53.0
192.05991	1.6
202.98737	0.3
234.99226	0.3
289.02408	0.6
289.07114	0.8
353.08734	11.3
354.09045	0.7
451.05365	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	451.0643
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	0.7
61.25504	0.2
64.33452	0.3
64.86391	0.2
67.01894	0.4
69.32835	1.9
70.44287	0.2
71.01370	0.4
73.07407	0.2
78.95903	0.9
82.97597	0.2
85.02946	4.3
87.00859	1.0
88.23974	0.2
90.09927	0.2
93.03447	1.9
96.96004	7.3
96.96965	0.8
108.90182	0.5
109.02929	0.6
111.04517	0.9
125.02391	0.3
127.04016	1.4
130.67947	0.2
133.02914	0.4
135.04524	3.2
137.02399	0.3
147.41905	0.2
155.03468	0.2
161.02415	1.8
171.02914	0.3
173.04562	1.8
179.03508	2.3
191.05594	100.0
192.05928	3.1
231.03282	0.3
239.06480	0.2
289.07120	1.1
353.08740	22.0
354.09039	1.5
451.08112	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.0536
Annotation	Unknow
Peak:m/z	Relative Intensity
56.99874	0.2
59.01371	0.8
71.01375	0.2
73.02289	0.2
79.95734	2.2
85.02955	0.8
93.03439	0.6
95.04988	0.2
96.96007	100.0
97.02940	0.3
97.95933	0.3
98.19807	0.3
101.02404	0.3
109.02921	1.2
121.02973	0.2
123.04510	0.8
125.02428	0.6
127.03996	0.3
133.02962	0.2
135.04523	0.6
137.02454	1.2
149.02492	0.3
151.03915	0.4
158.80109	0.2
159.04501	0.2
161.02394	1.0
165.01955	0.4
173.04565	0.3
179.03587	0.7
191.05598	12.7
192.05981	0.8
202.06351	0.2
203.07126	0.6
205.05064	0.5
236.06699	0.3
245.08141	1.3
259.02423	0.4
287.01959	0.5
289.07169	3.4
299.05692	0.3
317.03186	0.3
331.17563	0.3
353.08752	2.8
354.09149	0.3
361.09741	0.2
366.08313	0.6
383.18893	0.3
451.12085	1.9
451.18793	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	450.2494
Annotation	18-Methoxygadesine
Peak:m/z	Relative Intensity
57.03439	3.2
59.01366	2.7
59.05727	0.4
61.98830	3.8
67.01880	0.6
67.19155	0.4
69.03445	4.2
71.01377	24.0
71.05017	0.5
72.01687	0.4
72.04521	0.7
81.03489	0.5
83.05015	0.7
85.02924	1.0
86.35310	0.4
87.00859	1.1
88.04039	7.1
93.03447	4.6
94.03784	1.4
96.95985	1.2
96.99294	0.9
98.06110	27.1
98.19846	0.9
99.04491	1.3
109.02948	0.9
110.06070	0.9
111.04497	0.8
114.01938	0.4
115.00365	18.8
123.04519	0.5
126.09242	3.1
133.02972	0.8
134.03677	1.0
135.04579	2.0
135.11708	0.6
136.04839	0.7
137.02432	0.7
161.02391	1.0
164.10727	0.5
169.07428	2.7
173.04507	3.7
174.04861	1.3
177.01865	0.6
179.03326	0.9
179.14592	0.5
180.13965	0.8
189.01941	2.4
191.05548	5.3
192.05923	1.5
197.74136	0.5
211.79507	0.6
217.01366	3.4
222.15041	2.0
223.13332	0.9
231.03156	0.5
232.10490	0.5
246.18460	0.6
247.16988	4.2
264.19730	0.7
265.18002	1.5
275.09244	0.7
276.09576	1.3
294.17114	0.8
297.03690	0.4
297.75211	0.5
318.20724	2.0
327.05042	0.8
334.23834	0.8
335.22168	8.6
336.22028	1.3
341.06677	2.1
369.66129	0.4
386.19775	0.4
406.25986	6.3
432.23990	0.5
450.14737	2.8
450.24905	100.0
451.10446	0.8
451.25610	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	450.1976
Annotation	Unknow
Peak:m/z	Relative Intensity
53.10125	0.4
57.03487	0.4
59.01377	3.5
60.99308	0.9
61.98827	100.0
65.00326	0.8
67.01893	2.9
67.92533	0.5
69.03454	0.7
71.01392	2.0
71.62062	0.5
72.99290	0.5
81.03446	0.8
83.01407	0.5
83.05019	0.9
84.05373	0.5
84.40965	0.4
85.02938	4.3
86.03284	0.7
87.00869	3.9
87.45178	0.4
88.01227	0.4
89.02428	0.8
93.03458	14.5
94.03791	4.8
95.01380	0.6
96.96011	3.3
99.00867	0.6
99.04549	0.5
101.02464	0.5
102.96346	0.4
107.01378	0.7
109.02950	2.4
111.04517	2.4
112.04852	0.8
113.02413	0.6
116.24027	0.4
125.02459	3.2
126.02793	1.0
127.03999	1.5
129.01915	0.5
135.04453	1.8
137.02422	1.6
151.00327	1.0
152.00919	0.6
153.01660	0.5
154.35622	0.4
155.03421	0.7
156.03773	0.5
158.03654	0.5
159.04391	1.8
160.04846	1.0
161.02419	1.9
165.01883	2.0
166.02174	1.6
171.04277	0.4
172.05035	0.6
173.04539	10.1
173.05954	1.1
174.04814	4.8
174.06430	1.3
179.03416	0.8
183.04407	0.9
183.61264	0.4
184.04919	0.7
186.02850	0.6
187.07648	2.9
188.07982	2.8
191.05595	54.1
192.05936	24.3
193.05968	1.7
200.04622	0.6
201.05406	0.6
202.05971	1.2
203.06610	0.8
213.05470	0.7
213.09085	1.1
214.05788	0.7
214.09439	1.6
215.06979	0.7
216.07376	0.9
226.05727	0.6
228.04047	0.4
231.10138	1.0
232.10446	1.4
241.04849	1.1
242.05266	0.5
244.06819	0.6
257.08176	2.9
258.08542	6.3
260.06345	0.9
269.04303	1.7
270.04913	3.2
275.09201	3.0
276.06680	0.5
276.09506	4.2
287.05600	6.6
288.05930	14.0
289.06238	0.8
316.89987	0.4
389.20801	0.5
390.21048	0.8
394.97202	0.4
395.30872	0.4
401.11829	0.4
402.12289	0.9
432.13522	0.5
450.10498	13.8
451.10645	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.2541
Annotation	glucosyltestosterone
Peak:m/z	Relative Intensity
55.41766	0.2
57.52999	0.3
58.00591	0.3
59.01372	3.7
60.99293	0.3
61.98842	1.5
62.96404	3.1
66.30790	0.3
67.01875	1.1
69.03432	0.3
69.59932	1.9
71.01373	3.1
72.41471	0.3
78.95897	7.0
79.95741	0.3
80.73900	0.3
80.97461	4.4
85.02937	1.0
87.00856	1.9
89.02441	2.3
93.03452	8.0
96.95991	1.2
98.20639	0.3
101.02436	1.4
105.03458	0.3
111.04498	0.9
113.02452	1.1
119.03480	1.1
127.03972	0.3
129.78894	0.3
133.02963	0.4
134.03729	1.3
135.04512	2.0
140.30246	0.2
143.03491	0.4
149.00081	1.6
152.99594	0.7
155.03441	0.3
160.01642	0.4
161.04512	0.6
173.04529	8.4
176.14716	0.3
179.05681	0.4
187.07578	0.3
191.03940	0.5
191.05609	5.7
205.15970	1.0
231.10306	0.8
242.98221	0.7
257.08185	0.3
275.09335	1.6
287.20139	100.0
288.20480	7.7
301.21713	0.6
329.21082	0.3
352.07809	0.4
355.16763	2.9
385.17770	2.8
421.95490	0.3
449.09317	0.6
449.14810	16.0
449.24451	0.6
450.15009	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	449.1496
Annotation	Suvorexant
Peak:m/z	Relative Intensity
53.61766	0.5
59.01369	1.8
60.99288	1.0
61.98828	5.9
62.96407	23.0
67.01881	1.6
71.01369	0.8
71.61945	0.7
74.01264	0.5
78.95898	52.7
80.97464	29.2
85.02943	0.8
85.81950	0.5
87.00871	2.1
93.03451	13.2
96.96038	1.1
111.04510	2.2
119.05048	0.6
125.84296	0.5
133.02931	1.4
134.03702	1.6
135.04514	2.2
136.48907	0.7
149.00079	14.1
155.03502	0.7
161.02448	0.8
162.03210	0.9
163.04070	0.5
173.04536	10.3
174.04889	0.5
179.01140	1.7
191.05600	9.2
205.15962	5.9
231.10251	0.6
242.98228	4.5
275.09198	2.0
285.12549	1.4
308.08890	0.7
348.16714	4.2
352.07773	0.7
355.16751	17.3
356.17270	1.0
385.17807	22.0
386.18024	1.5
449.14920	100.0
450.15219	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	449.1848
Annotation	Terpentedienyl diphosphate
Peak:m/z	Relative Intensity
57.03445	0.2
59.01380	1.5
61.98826	1.7
66.25165	0.2
67.01908	0.3
69.03467	0.2
70.98484	0.5
71.01376	0.9
73.02955	0.2
75.00861	0.2
78.91857	0.3
78.95914	0.3
79.95737	3.5
80.91666	0.3
80.96500	0.3
81.03451	0.3
85.02942	2.4
87.00873	0.7
88.19482	0.2
89.02438	0.3
93.03429	1.7
95.95228	1.1
96.96004	20.1
97.95971	0.2
98.95575	1.1
101.02463	0.3
109.02928	0.5
111.04527	0.5
113.02431	0.4
121.02999	0.2
123.04515	0.5
124.01651	0.2
125.02470	0.6
127.04006	0.8
133.02965	0.5
134.03769	0.3
135.04529	2.9
137.02417	0.4
142.06621	1.1
143.06960	1.3
149.02409	0.2
151.00339	0.3
151.04034	0.2
155.03522	0.2
161.02435	0.7
165.01910	0.3
171.02951	0.3
173.04510	1.9
179.03485	2.2
187.05911	0.4
187.07661	0.7
191.05595	22.4
192.05925	1.7
205.06935	0.3
219.06912	0.3
243.06625	0.6
245.04649	1.3
247.06432	0.4
259.06110	0.3
275.08887	0.7
287.05603	0.4
301.11380	0.2
304.08853	0.2
311.07877	0.3
312.08517	0.6
327.10883	2.0
328.11298	0.4
329.06662	0.3
353.08844	2.2
354.09042	0.3
371.10101	0.7
401.16464	0.4
413.16364	1.1
431.17407	5.8
432.17587	0.5
449.08127	3.4
449.18463	100.0
450.09088	0.4
450.18710	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	449.1451
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	1.1
60.99306	0.3
61.98832	0.4
62.99852	0.2
67.01889	1.1
69.03448	0.7
70.36157	0.7
71.01373	0.9
81.03461	0.4
83.05017	0.5
85.02946	10.3
87.00877	2.7
93.03456	7.5
99.04528	0.9
100.85217	0.2
109.02924	1.1
111.04521	2.3
123.04417	0.3
127.04020	2.5
133.02937	0.3
134.03714	0.6
134.95006	0.3
137.02446	0.3
143.03415	0.3
155.03407	0.4
159.04515	0.4
171.02953	0.6
172.05301	1.7
173.04539	5.4
173.05998	0.4
178.02638	0.3
183.04547	0.5
187.04070	0.4
187.07637	10.8
188.08023	0.4
191.05598	100.0
192.05965	3.3
197.06224	0.2
199.03952	1.1
200.04645	0.5
213.09238	1.1
215.07088	1.5
227.03500	1.8
228.04250	1.4
229.08664	0.5
231.10269	1.7
257.08173	13.5
258.08514	1.1
275.09259	2.5
449.14496	7.8
450.14944	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1449
Annotation	Unknow
Peak:m/z	Relative Intensity
52.16498	0.6
60.99319	1.2
67.01889	5.1
69.03446	1.5
71.01389	2.8
81.03465	0.9
83.05014	1.1
84.43739	0.8
85.02958	2.1
87.00866	6.2
88.06290	0.7
93.03457	33.1
94.03811	0.8
108.02192	2.6
109.02958	0.8
111.04477	4.3
121.02968	2.8
122.03756	1.7
124.01669	7.0
125.02454	3.3
126.03213	2.0
127.03999	1.1
129.01888	0.6
133.02966	5.0
134.03737	18.6
135.04523	100.0
136.05151	3.6
137.02415	4.0
150.03207	3.8
151.03999	11.9
155.03456	1.2
160.01620	1.5
161.02437	2.9
162.03204	0.8
163.04037	0.9
164.04625	0.7
173.04533	24.3
177.01976	1.6
178.02715	2.1
179.03487	23.9
180.04236	4.0
191.05595	20.5
191.07346	0.9
192.71216	0.7
257.08148	3.2
275.09183	3.8
290.07956	2.4
306.07520	0.8
307.08249	8.8
308.08984	26.8
308.12570	1.5
309.09406	1.9
320.03180	0.8
323.07681	1.4
324.71539	0.8
329.96600	0.8
351.07153	1.1
352.07971	23.5
353.08438	2.1
423.18893	0.8
446.96005	0.8
449.14496	25.9
450.14847	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2748
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03430	1.5
59.01377	19.2
61.98818	4.0
69.03452	3.2
69.81532	6.5
71.01381	1.7
71.05004	1.1
73.18542	1.2
78.36435	1.0
85.02963	1.7
89.02439	2.6
96.96032	8.1
101.02422	1.4
113.63692	1.2
122.04933	1.1
167.10759	2.6
179.14404	4.3
191.05585	2.4
195.13887	11.5
205.12308	9.5
211.13490	1.4
223.13368	100.0
224.13689	5.5
229.35567	1.1
295.02417	6.1
296.03128	1.3
365.14355	1.7
387.20297	2.6
447.07248	9.7
447.13098	2.1
447.26260	6.3
447.32062	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1084
Annotation	Aromadendrin 4'-glucoside
Peak:m/z	Relative Intensity
57.03442	10.2
59.01374	21.4
61.98827	7.2
64.46211	1.1
65.00327	5.0
67.01917	1.6
69.03441	1.3
70.01493	4.3
71.01376	8.0
74.87774	1.1
81.03441	2.7
81.54691	1.1
83.01392	9.3
83.05022	2.4
85.02953	6.9
86.83624	1.3
87.00879	1.5
89.02452	4.4
93.03439	13.0
96.95997	6.2
97.02943	2.4
98.20598	1.3
101.02447	2.8
107.01386	7.4
107.05041	1.7
108.02152	1.4
109.02940	6.9
111.04521	4.2
113.02406	1.6
117.03459	3.4
119.03470	1.1
119.05036	1.5
121.02941	8.0
122.87711	1.2
123.04507	1.3
124.01659	1.6
125.02434	100.0
126.02773	2.5
127.04036	1.8
129.01942	1.5
131.37392	1.2
132.52150	1.4
133.02945	3.0
135.04512	4.6
137.02434	5.3
138.02005	1.3
139.03993	2.7
146.03697	1.7
147.04396	1.4
149.02420	9.8
151.00337	23.8
152.01106	5.0
153.01910	7.1
155.03535	4.4
156.05811	1.5
157.06541	1.7
158.03735	7.6
159.04489	14.9
161.02426	4.4
161.04604	2.2
165.01930	19.1
167.03558	1.7
172.05251	4.4
173.04536	13.4
173.06065	11.7
174.06815	1.5
175.03998	2.8
175.07593	3.3
177.05560	2.2
178.99823	14.0
179.03439	5.9
181.06509	1.5
187.04007	2.8
187.07628	33.1
187.09200	2.3
188.08086	2.7
191.05598	50.3
192.05905	2.0
193.01205	1.6
196.72668	1.2
197.06076	2.7
199.04062	1.7
199.07561	1.7
201.05515	6.4
202.06329	7.9
203.10696	5.8
213.05505	2.1
213.09236	3.0
215.07149	5.1
216.07890	1.8
225.05554	3.2
231.10240	16.1
241.05075	3.7
243.02879	1.5
243.06609	6.4
257.08163	1.6
259.06079	95.3
260.06467	5.0
269.04507	90.5
270.04871	6.1
271.02420	1.3
272.00677	1.2
272.03214	7.1
275.09229	91.2
276.09546	5.7
283.06076	1.6
287.05582	57.9
288.06030	3.5
311.05621	2.3
329.03049	7.1
342.06042	3.6
359.03833	6.8
389.21729	4.9
421.11679	3.4
431.09995	1.9
444.63776	1.3
449.10959	62.3
450.11459	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	447.2594
Annotation	Unknow
Peak:m/z	Relative Intensity
52.54717	0.4
55.01859	2.5
57.03445	13.0
59.01376	6.7
68.99797	0.5
70.34561	1.3
71.01379	2.0
72.99303	1.2
75.00864	1.4
83.01388	2.0
84.02159	2.9
84.35362	0.5
85.02946	100.0
86.03279	1.9
87.00873	1.3
89.02427	0.5
100.25474	0.4
101.02441	0.6
103.00372	1.3
111.00870	4.8
115.00428	0.5
129.01938	12.2
147.02997	11.8
168.37007	0.4
171.52344	0.4
173.00877	3.1
189.47153	0.4
191.01952	43.7
192.02405	0.9
209.02960	1.7
214.12375	0.5
219.11902	0.5
220.02280	0.4
255.23276	4.0
279.23297	4.6
447.25934	4.1
448.26447	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2596
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	1.7
57.03444	13.5
59.01374	6.8
60.45196	0.3
61.98827	0.4
68.89781	0.3
68.99802	0.6
69.30212	1.4
69.30650	1.8
71.01375	3.6
72.99305	1.5
73.02930	0.5
75.00864	1.2
83.01381	3.3
84.02163	2.7
85.02946	100.0
86.03301	1.9
87.00856	1.4
92.49627	0.3
98.20644	0.7
101.02444	0.8
102.99799	0.4
103.00330	1.9
110.57188	0.3
111.00877	4.5
115.00380	0.5
129.01932	12.6
143.02060	0.4
145.01321	0.4
147.02983	12.3
173.00911	2.8
191.01955	44.9
192.02306	1.2
209.03081	1.7
255.23267	3.2
279.23233	2.2
296.62515	0.4
323.25745	0.5
362.39166	0.4
429.25162	0.4
435.60605	0.4
447.07382	0.4
447.26126	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	447.2383
Annotation	Ugaferin
Peak:m/z	Relative Intensity
50.37959	0.7
50.91935	0.7
53.60267	0.7
54.13339	0.7
57.17704	0.6
59.01373	6.9
61.01911	0.7
61.98823	3.3
62.21299	0.6
63.81650	0.7
71.61561	0.8
74.58899	0.7
78.95901	0.9
81.20264	0.6
83.81565	0.7
96.95987	0.8
101.02405	0.8
105.03464	1.0
106.04195	0.9
117.03432	1.3
132.02182	1.1
133.01926	1.0
133.02951	23.9
134.03732	4.5
135.04517	31.4
136.04858	1.6
137.02444	3.1
147.30716	0.8
147.48213	0.7
152.99550	0.8
161.02428	100.0
162.02805	3.4
179.03455	9.1
190.76163	0.7
211.13347	0.9
235.21906	0.8
261.03253	0.7
267.19742	1.1
285.20670	10.3
295.02383	1.2
387.20486	1.0
429.22870	1.8
447.07446	2.2
447.23834	62.1
448.24271	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	447.2383
Annotation	Ugaferin
Peak:m/z	Relative Intensity
56.41476	0.3
59.01379	2.9
61.96906	0.4
61.98837	1.8
65.58317	0.3
70.51025	0.8
78.95910	1.1
89.02465	0.4
93.22089	0.4
96.95989	1.2
98.95596	0.4
100.81186	0.3
107.05001	0.3
117.03447	1.7
121.61960	0.3
132.02141	0.7
133.02950	19.6
134.03758	5.0
135.04518	29.3
136.04846	1.0
137.02408	2.6
137.15759	0.4
139.04050	1.0
149.72156	0.4
152.99585	1.1
161.02434	100.0
162.02759	3.3
178.02682	0.7
179.03488	9.9
203.69987	0.4
215.90028	0.3
243.35506	0.3
267.19638	0.8
285.20691	10.9
286.20935	0.5
295.02463	0.6
327.05209	0.5
387.20502	0.6
429.22607	2.8
430.23138	0.4
447.07300	1.1
447.23825	64.6
448.24130	6.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2232
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	100.0
65.91106	0.7
71.01376	10.0
73.31981	0.7
78.95927	1.0
85.02953	1.3
85.22812	0.8
87.00883	0.9
88.56594	0.7
89.02436	15.5
95.01396	0.8
96.96003	7.6
96.96985	1.2
101.02429	4.9
113.02422	4.5
119.03503	6.8
123.04512	0.8
130.01651	0.7
131.03508	0.9
137.02441	1.2
143.03494	1.6
149.04605	0.9
161.04604	2.1
167.03502	2.8
179.05595	13.7
191.05725	1.6
240.07346	0.7
269.61844	0.7
270.12183	0.7
295.24725	0.8
315.09042	0.8
447.09146	0.7
447.16327	4.7
447.22455	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2235
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	0.6
57.03437	0.8
59.01377	100.0
60.01723	0.8
61.98830	1.5
66.59299	0.4
69.03438	0.5
69.76576	2.2
71.01379	13.3
72.99310	0.7
73.02938	3.2
75.00865	1.0
79.95721	0.5
83.01400	1.7
85.02949	9.4
87.00863	2.0
87.04519	0.5
89.02444	5.6
93.03448	2.7
95.01394	1.3
96.96024	1.3
98.19834	0.3
99.00885	1.5
99.04517	0.4
101.02444	8.7
108.02222	0.5
109.02942	2.0
111.04494	0.7
113.02441	6.3
119.03522	2.6
121.02916	0.5
123.04514	1.2
125.02450	0.5
127.04021	1.4
133.02982	1.2
135.04532	1.6
137.02390	0.5
143.03537	0.8
149.02467	0.7
152.01172	1.5
153.09192	0.9
159.03011	1.1
161.02507	3.3
161.04541	10.3
171.03011	0.6
171.04436	0.5
173.04523	2.1
173.05833	0.4
175.03979	0.5
179.05562	1.0
185.06065	1.2
191.05598	39.5
192.05928	1.3
198.03317	0.4
199.03987	0.6
199.07738	1.1
200.04771	1.3
201.02019	0.6
201.09254	0.8
209.06209	0.5
211.04099	0.4
211.07663	1.7
212.04837	0.5
214.06433	0.6
219.03049	1.3
226.02762	0.7
227.03360	1.7
227.07144	1.2
229.05110	0.5
229.08690	5.4
241.05133	0.7
253.05191	0.5
255.06596	6.3
256.06992	0.5
267.07254	1.0
273.07758	2.4
283.02637	0.5
285.04172	0.8
293.04605	0.5
295.02350	0.9
296.52512	0.3
297.04102	1.0
309.04102	1.3
323.07520	0.6
325.03683	1.0
336.16724	0.4
337.03595	1.1
377.06622	0.8
384.96194	0.4
387.20206	21.2
388.20316	1.8
405.06537	0.5
405.21594	0.5
419.07684	1.2
429.06406	0.5
447.07199	1.4
447.13080	5.7
447.22232	7.5
448.13525	0.5
448.22946	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.1338
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01370	1.7
61.98825	2.1
62.96396	0.9
63.22856	0.2
69.74832	1.3
78.95899	35.5
96.95996	0.3
96.96948	2.4
149.00079	18.6
150.00398	0.4
152.99550	0.5
154.48337	0.2
158.92522	2.0
161.02441	0.4
165.74890	0.2
179.01147	2.7
205.15947	1.6
211.13437	0.2
213.15967	0.3
220.92044	0.2
240.96773	0.4
253.07649	0.2
267.11481	0.3
295.02393	0.6
347.07913	0.3
354.88217	0.3
369.24277	0.4
385.27652	0.4
417.12335	0.7
431.10300	2.3
432.10800	0.5
447.13373	100.0
448.07407	0.5
448.13681	8.9
448.27417	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.169
Annotation	Unknow
Peak:m/z	Relative Intensity
58.16855	0.4
59.01380	4.1
60.55323	0.4
60.79565	0.4
61.98837	0.5
67.01836	0.6
69.62512	2.7
71.01364	1.6
73.02940	0.7
78.95898	1.9
79.95735	2.8
81.03448	0.5
81.80624	0.5
83.05035	0.8
83.87234	0.5
85.02946	6.4
87.00870	2.2
89.02434	1.4
93.03458	6.9
95.01384	0.5
96.96006	100.0
96.96883	3.1
98.20683	0.9
101.02477	0.8
102.05621	0.6
109.02967	0.9
110.96623	0.5
111.04531	1.0
121.02965	0.7
123.04523	0.7
125.02447	0.8
127.04024	1.5
137.02492	1.1
142.06660	1.3
143.06972	0.7
146.04604	1.0
149.04507	0.5
161.02597	0.5
167.03564	1.5
172.05316	1.7
173.04581	3.3
173.06035	1.1
191.05597	50.2
192.06023	1.7
229.08650	5.2
240.07579	1.1
270.30676	0.5
273.07681	24.3
274.08102	2.1
293.08820	0.9
317.13547	0.6
331.73477	0.5
383.19113	0.6
385.16751	3.0
447.17239	81.2
448.17517	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	447.1296
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	6.6
65.28907	0.5
67.01896	1.9
69.03446	1.1
69.62587	1.1
69.63004	2.0
71.01383	4.9
73.02943	0.8
75.00840	0.9
79.95737	2.1
81.03471	0.9
83.04990	0.9
85.02951	12.5
87.00885	4.6
89.02425	2.8
93.03452	13.7
96.11879	0.5
96.96008	65.0
99.04514	0.8
101.02501	0.8
108.02190	0.5
108.70200	0.5
109.02955	1.4
111.04516	2.1
113.02457	1.0
116.05034	0.5
125.02441	2.2
125.04359	0.5
127.04004	3.3
137.02463	1.2
142.06636	3.1
143.06918	2.6
154.05499	0.7
156.01860	0.5
158.05997	0.5
161.02434	0.5
167.03545	1.6
171.03006	1.5
172.05293	3.6
173.04515	4.6
173.06020	2.5
177.51070	0.6
191.05597	100.0
192.05960	3.3
204.04277	0.7
204.06375	0.7
205.07039	0.6
211.07602	0.7
216.04208	1.6
223.02599	1.0
229.08672	10.5
229.10840	1.1
230.09091	0.9
240.07326	1.0
273.07675	52.6
274.07971	3.2
293.08817	3.3
296.32468	0.8
367.12332	1.0
385.16891	2.4
387.13120	0.9
447.12137	15.1
447.16965	58.1
447.91528	0.7
448.07269	1.2
448.18036	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	447.1339
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	0.7
60.35356	0.2
61.98838	0.5
62.96404	1.2
70.65359	0.2
70.99126	0.3
71.45459	0.2
78.95898	36.8
96.96954	2.2
119.40508	0.2
123.20138	0.2
149.00081	17.6
150.00450	0.4
152.99533	0.3
154.65135	0.2
158.92564	1.4
159.73099	0.2
160.95595	0.2
179.01131	2.2
205.15923	1.7
240.96727	0.4
254.15112	0.2
267.11459	0.5
293.43143	0.2
295.02490	0.3
341.28458	0.2
347.08249	0.4
363.67865	0.2
403.28378	0.4
417.12436	0.8
431.10260	2.4
432.10803	0.3
447.13370	100.0
448.13705	8.4
464.10379	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.1292
Annotation	Siebolside A
Peak:m/z	Relative Intensity
50.88252	0.1
53.08237	0.2
59.01371	1.2
61.98814	0.4
63.12099	0.1
65.00331	0.7
65.03925	0.2
70.75913	0.3
70.76254	0.1
80.02673	0.6
81.03446	0.3
87.66936	0.1
91.01887	15.1
92.02219	0.3
93.03451	2.3
95.01378	0.7
107.01342	0.3
107.05017	0.6
108.02164	19.5
109.02968	4.6
121.02928	0.9
123.00877	4.8
124.01611	0.6
135.00874	14.7
136.01180	0.4
137.02429	7.7
138.02759	0.3
149.02406	0.4
152.01138	17.0
153.01529	0.6
169.06569	0.1
177.01927	0.2
191.05518	0.3
197.06076	1.7
198.06403	0.2
199.07568	0.3
213.05577	1.2
215.07146	0.9
225.05594	0.4
241.05110	0.3
242.05826	0.2
243.06584	100.0
244.06923	6.1
271.77554	0.1
295.02530	0.2
387.10739	1.0
405.11957	0.2
433.50317	0.2
447.07278	0.3
447.12885	4.3
448.13315	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.114
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	4.2
61.98829	0.5
70.61415	1.7
71.01376	5.9
73.02943	2.5
83.01395	0.6
85.02930	3.5
87.00909	0.7
89.02442	1.1
93.03466	0.7
95.01364	0.6
96.96015	1.3
99.00874	2.5
101.02443	2.5
101.72511	0.6
108.02168	48.6
109.02950	18.8
113.02441	2.4
121.02924	0.6
123.00849	0.5
123.04528	0.7
128.93024	0.7
135.04503	0.7
139.04004	1.7
142.06613	1.5
143.06973	1.4
151.03999	2.0
152.01138	91.5
153.01941	9.8
161.04582	1.8
163.03941	2.8
177.01839	0.8
187.04153	0.5
191.05611	4.2
271.08258	0.7
273.07602	1.9
294.38028	0.7
315.07230	1.6
447.11444	100.0
448.06375	0.8
448.11908	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	446.1511
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	3.3
61.98826	100.0
65.61989	0.3
71.01393	1.8
71.60719	0.3
71.61178	0.3
71.87610	0.3
73.02927	0.3
75.00866	0.8
79.95728	2.0
81.78485	0.3
85.02950	0.9
85.14407	0.3
87.00889	0.5
89.02438	0.9
93.03479	0.7
93.81522	0.3
96.96003	2.4
101.02448	1.0
108.02183	1.6
109.02943	3.1
113.02467	0.8
116.05048	1.6
142.06613	31.1
143.06967	1.5
151.04073	0.6
152.01164	2.7
153.01935	4.1
158.06116	2.8
186.05597	7.7
191.05652	3.4
204.06645	5.1
222.02301	9.1
223.02620	0.5
238.01743	0.8
246.05354	0.4
246.07770	0.8
266.01358	0.7
273.07721	0.9
284.02213	0.4
366.11853	3.5
381.86386	0.3
406.69315	0.4
446.07581	31.5
447.07233	1.3
447.11697	2.8
447.17657	0.4
472.22119	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	446.076
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	9.0
67.01858	0.7
70.57899	1.8
70.87257	0.5
71.01382	4.2
72.99310	1.6
75.00877	1.9
79.95734	5.4
80.96525	0.9
85.02944	4.4
87.00869	2.3
89.02431	2.9
89.14595	0.5
93.03455	3.5
96.96014	11.9
98.20602	0.6
99.00856	0.9
101.02448	2.0
111.04534	1.0
113.02458	1.4
116.05067	4.7
119.03509	1.0
126.71410	0.6
127.04071	0.7
130.06589	0.7
137.02414	0.8
142.06619	88.4
143.06955	3.4
152.41989	0.6
158.06131	9.4
172.05305	0.7
173.04533	0.8
173.06026	0.8
186.05598	23.5
187.06007	1.2
191.05606	28.2
196.00529	0.6
204.06641	16.1
205.06984	1.2
211.07629	0.7
222.02280	22.3
223.02576	1.2
229.08638	3.6
238.01707	3.9
240.07475	1.2
246.07719	1.5
257.93286	0.6
266.01248	1.8
273.07681	12.2
284.02325	2.0
356.04376	1.0
366.11868	7.5
367.12225	1.0
446.07584	100.0
447.08258	5.5
447.12738	5.4
447.17059	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	446.0757
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26692	0.5
53.52790	0.6
53.76347	0.6
59.01377	10.5
71.01381	5.4
71.06377	1.3
72.75169	0.6
72.99290	1.7
73.02947	0.9
75.00872	3.4
78.26733	0.7
79.95728	6.3
85.02940	0.9
87.00876	1.5
89.02446	3.8
96.95998	2.4
99.00870	0.7
101.02435	3.0
109.37692	0.6
112.64420	0.6
113.02423	2.3
116.05045	5.6
119.03511	1.0
128.05040	1.0
142.06612	100.0
143.06961	5.6
144.04518	0.6
151.04037	4.0
152.04333	2.1
154.01297	0.6
158.06097	10.7
175.61983	0.6
186.05585	25.4
187.05861	1.1
191.05574	1.0
196.00702	0.6
204.06635	17.0
222.02263	26.5
223.02536	1.0
237.06105	0.9
238.01794	3.7
246.07614	1.7
259.00836	0.6
266.01285	2.4
284.02319	2.4
289.50812	0.6
309.27457	0.6
309.87881	0.6
366.11899	12.8
366.16599	0.9
367.12091	1.0
446.07578	91.0
447.07806	7.9
447.17191	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.2955
Annotation	Abeohyousterone
Peak:m/z	Relative Intensity
57.03429	1.7
59.01373	2.0
61.98826	1.9
68.10903	0.4
71.01386	0.8
84.02151	0.4
85.02945	12.1
99.68013	0.4
102.91128	0.4
111.00868	0.8
112.07256	0.3
115.88929	0.3
123.08128	0.9
129.01918	1.1
131.84058	0.4
133.81430	0.5
135.08141	0.7
147.02940	1.1
191.01942	5.2
224.87979	0.4
229.29579	0.4
265.16916	0.4
351.23254	3.5
367.21582	0.5
367.26392	19.8
368.26614	1.5
383.29504	33.0
384.29861	3.9
401.25607	0.8
401.30545	8.8
402.30869	1.2
427.28500	5.0
428.29102	0.7
445.29538	100.0
446.29895	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	445.2806
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	100.0
61.98830	3.1
65.96451	0.7
68.92238	0.7
79.95749	0.9
91.04015	2.3
96.96000	6.1
98.19833	1.4
102.95918	0.9
121.02939	1.1
152.99568	1.7
188.37788	0.7
211.13409	0.8
246.94753	0.8
293.21381	1.4
306.84351	0.8
311.22321	13.3
311.25748	1.1
312.22556	1.2
416.67929	0.9
440.10287	0.8
445.30035	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.2803
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	100.0
59.54806	0.6
60.01722	1.1
61.98830	1.9
71.01386	0.6
78.95914	0.9
91.03997	3.2
96.96003	9.5
98.20641	1.3
98.41537	0.6
100.80293	0.6
110.01499	0.6
121.02963	1.2
128.87016	0.5
137.02431	0.7
142.61253	0.6
142.75774	0.7
209.11856	0.9
211.13475	1.7
251.11018	0.6
273.17218	0.9
293.21451	0.9
311.22220	16.3
312.22702	1.3
445.25861	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.2804
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	3.7
59.01377	100.0
61.98818	4.0
64.20195	2.2
66.95939	1.9
71.61897	2.9
71.66756	2.0
75.37219	1.9
83.68835	2.0
91.04036	4.5
96.85127	1.6
96.95976	4.6
108.66035	1.8
112.60387	1.9
113.09724	8.0
113.50481	2.0
175.77763	2.5
229.01376	1.9
229.90773	2.3
293.21225	53.8
294.21451	2.9
445.22452	3.7
445.29367	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	445.2356
Annotation	Unknow
Peak:m/z	Relative Intensity
57.05795	0.4
59.01379	3.4
66.71212	0.5
71.01376	0.7
71.18890	0.8
78.95897	6.9
81.66551	0.4
110.98529	6.3
117.03460	2.3
119.05003	2.4
121.02930	0.8
124.51639	0.4
138.08107	0.5
145.02936	3.5
152.99466	0.5
163.03908	0.6
167.01147	3.0
184.09740	0.5
185.02226	4.2
236.99814	0.5
259.88461	0.4
277.21698	100.0
278.22040	8.1
285.37256	0.5
291.19482	0.6
349.53613	0.5
445.23538	9.9
446.24631	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.2079
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	0.9
57.03465	1.1
57.19710	0.5
58.00587	2.5
59.01375	100.0
60.01709	0.9
61.98822	3.7
64.80830	0.7
69.28257	5.7
70.02953	1.2
71.01376	41.7
72.01714	0.8
72.99316	3.0
73.02946	3.5
74.44514	0.6
74.97181	0.6
79.95716	0.5
83.01382	3.4
85.02951	9.5
87.00870	3.2
88.98813	0.9
89.02438	57.7
95.01379	2.9
95.21173	0.6
96.96016	4.3
97.02953	0.6
99.00912	1.8
99.04561	0.8
101.02437	24.1
102.60374	0.6
113.02445	19.3
114.01986	2.4
119.03493	24.1
125.02484	1.2
131.03455	3.8
143.03467	5.5
149.04543	2.8
150.28464	0.7
151.03868	0.6
153.09155	3.4
159.03014	0.7
161.04539	10.3
179.05592	26.7
180.05920	0.8
187.11327	0.9
191.04126	0.6
191.05608	2.9
205.12350	6.3
209.11784	4.0
209.13515	0.6
221.06612	6.6
223.13470	0.6
263.07834	1.9
328.19232	1.9
330.20242	1.7
343.92059	0.6
385.18610	13.7
385.23157	0.7
386.18924	1.6
420.28403	0.6
445.15637	15.7
445.23029	2.9
446.07904	0.7
446.15924	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	445.208
Annotation	Unknow
Peak:m/z	Relative Intensity
50.11076	0.7
51.03567	0.6
55.97057	0.7
57.03449	14.3
59.01378	75.5
61.98825	2.5
63.88318	0.7
69.03455	1.3
71.01379	15.2
72.99292	1.5
73.02950	2.1
83.05016	1.0
85.02943	4.7
87.00862	0.9
87.04510	100.0
88.04833	1.5
89.02439	12.5
93.03436	1.4
95.01364	1.2
96.96025	1.3
97.02924	0.8
97.06583	2.5
99.00887	1.4
99.84460	0.8
101.02441	7.0
113.02437	5.3
113.03639	0.9
114.01971	1.0
119.03503	5.8
125.02478	0.9
125.06054	3.4
125.09718	7.5
131.03653	1.0
131.04610	1.6
135.04520	2.2
135.08228	0.9
136.09756	0.8
153.09216	4.5
158.62871	0.8
159.02937	0.8
161.02440	1.2
161.04532	3.3
163.11266	2.1
165.09193	9.0
173.04616	1.4
179.05597	1.6
179.10698	1.0
181.12347	1.4
191.05611	3.3
193.02217	0.7
205.12312	25.9
206.12643	1.5
209.11723	4.1
209.90079	0.8
223.13373	41.1
224.13751	3.1
241.10553	1.1
242.08258	0.9
295.02246	0.9
297.13489	1.8
330.20773	1.8
385.18594	6.5
426.51431	0.8
445.18948	1.0
445.24216	1.8
451.17282	0.9
461.84756	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.2073
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14437	0.9
55.01886	1.4
57.03442	2.4
59.01376	100.0
60.01699	0.9
61.98830	3.9
70.02982	1.7
70.09531	2.9
71.01377	30.6
72.01742	1.1
72.99313	2.4
73.02935	5.2
75.85853	1.0
81.03454	1.0
83.01383	2.2
85.02957	9.2
87.00881	2.4
89.02444	18.5
93.03426	1.9
95.01367	2.5
96.96016	10.1
97.02898	1.9
99.00871	4.4
101.02436	21.9
105.02019	1.0
111.00921	1.0
113.02448	15.1
114.01976	3.3
119.03445	6.7
120.72053	1.1
121.02940	3.2
121.59106	1.0
123.08163	1.4
125.02437	2.4
138.06894	7.0
139.07631	3.7
142.06644	1.6
143.03482	2.8
149.06024	1.1
151.07622	8.5
152.04712	1.1
152.07239	2.1
152.08415	12.9
153.09218	41.6
154.09598	1.6
159.02957	3.1
160.03868	0.9
161.04550	18.8
173.04668	1.8
179.05566	5.0
191.05658	4.6
205.12305	17.3
209.11827	3.8
223.13370	20.0
224.13689	1.6
282.01639	1.2
283.02530	1.1
296.02924	1.7
325.03369	2.5
328.19138	3.5
330.20609	1.4
355.04532	1.3
385.18646	40.8
386.19025	3.3
445.08148	6.2
445.14990	7.2
445.23904	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	445.1712
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01888	0.4
57.03435	0.4
59.01376	100.0
60.01709	0.9
67.53708	0.4
70.92606	0.9
71.01384	8.8
73.02937	2.2
83.01404	0.9
85.02949	3.5
87.00884	0.5
88.80745	0.3
89.02460	1.3
95.01413	0.9
96.96008	4.7
99.00912	1.0
101.02438	3.5
103.04031	1.1
113.02448	4.0
117.05567	0.5
121.03000	0.4
134.03667	0.4
135.04544	2.2
137.09752	1.2
142.06679	0.4
159.03035	0.8
161.02527	0.6
161.04530	5.5
173.04581	0.4
179.03574	1.1
191.05669	1.2
193.05089	0.5
205.12305	0.5
209.11832	2.2
215.00905	0.4
223.09778	0.4
239.06708	0.6
239.56853	0.6
315.17810	0.4
321.20770	0.6
361.43231	0.4
385.18787	1.1
405.21631	0.4
407.13348	0.5
445.06915	0.8
445.15472	1.7
445.20383	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.1502
Annotation	Unknow
Peak:m/z	Relative Intensity
52.48593	3.8
59.01379	24.8
61.98818	8.0
71.01368	24.5
72.99305	5.6
83.01337	3.5
85.02922	3.8
89.02444	5.2
95.01427	4.0
96.95972	8.6
101.02433	7.1
102.05615	6.3
115.00382	4.0
121.02950	100.0
122.03765	7.6
125.02435	6.4
128.03551	17.3
135.03076	3.8
137.02457	31.4
149.02393	6.5
150.03224	82.2
161.02441	4.6
164.01100	5.5
165.01888	20.9
171.10286	8.0
175.03990	4.4
177.05508	5.0
179.03448	5.1
181.06549	10.2
191.05524	4.4
201.05440	5.3
209.11826	62.8
210.11989	4.2
211.13347	8.4
225.05331	8.2
229.14384	9.6
253.09161	7.9
259.06085	9.0
287.05573	29.5
288.06177	10.7
295.02402	4.2
313.07117	15.4
317.21127	12.9
327.21729	6.5
329.23322	60.9
374.93430	3.7
385.13010	4.4
445.05502	7.5
445.11282	37.8
445.23889	11.2
446.11819	7.1
446.25467	36.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.1534
Annotation	Unknow
Peak:m/z	Relative Intensity
52.68357	0.3
53.78706	0.3
57.03452	0.4
59.01094	0.6
59.01378	10.6
61.83413	0.3
61.98839	0.5
69.26998	3.4
69.71034	0.3
71.01382	5.2
73.02942	0.8
79.95330	0.3
79.95709	1.9
83.01380	0.5
85.02958	1.1
89.02435	3.8
93.03477	0.4
94.02986	2.1
95.95228	3.4
96.96007	100.0
99.00870	0.8
101.02449	2.2
103.04003	3.0
113.02456	1.5
119.03483	1.7
119.04984	2.8
121.06544	0.4
121.48445	0.3
125.02488	0.3
135.04524	0.4
137.09714	3.9
138.01981	3.3
141.75253	0.3
149.04555	0.7
152.03539	3.5
157.05045	1.0
161.02434	0.6
161.04538	0.8
163.03979	1.4
173.04405	0.4
179.05600	1.4
185.88696	0.3
187.07556	0.3
188.47095	0.3
191.05583	1.9
204.23566	0.4
205.12256	1.1
208.99123	0.4
223.13336	0.6
247.08253	0.8
282.06171	1.5
385.18604	3.2
386.19183	0.6
401.16342	46.6
402.16586	4.0
445.15332	98.8
446.11148	0.6
446.15768	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	445.1349
Annotation	Paeonovicinoside
Peak:m/z	Relative Intensity
54.63151	0.5
55.01869	1.1
58.00591	3.2
59.01375	60.3
60.01695	0.6
61.98821	1.3
69.03453	5.9
69.40224	0.8
69.40630	3.4
71.01380	65.3
72.01727	0.8
72.52082	0.5
72.99296	1.9
73.02944	8.8
75.00869	3.7
75.85760	0.5
79.01892	0.8
81.03467	3.7
83.01385	4.3
84.48495	0.5
85.02946	6.7
87.00879	1.9
89.02439	80.9
90.02769	1.1
90.32994	0.4
91.01894	12.3
91.32966	0.6
93.03452	13.2
93.04002	1.0
95.01379	2.7
96.96027	1.1
97.02946	10.1
99.00874	12.7
99.04519	1.6
101.02441	12.7
105.01977	0.6
107.01435	0.6
107.05035	1.7
108.02182	1.0
109.02998	0.7
111.00912	0.7
113.02449	7.4
114.01970	1.0
115.03997	5.1
119.01380	4.9
119.03512	1.7
121.02948	13.8
122.03278	0.8
125.02441	38.6
126.02751	0.8
127.04006	0.8
131.03510	11.1
133.02917	0.9
136.01715	1.2
137.01425	0.9
137.02435	10.5
143.03485	3.2
143.04437	0.5
149.02531	0.9
149.04538	10.7
151.03998	100.0
152.04369	3.7
161.04538	1.8
173.04579	1.2
175.06059	0.9
184.59839	0.5
191.05583	8.7
206.17007	0.5
209.11742	0.9
215.05623	0.5
233.06644	34.0
234.07030	1.3
281.06628	0.7
283.06879	0.5
293.08762	27.9
294.09024	1.2
328.19101	1.1
341.07892	0.6
413.10806	2.6
445.15350	0.7
445.23502	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	443.2649
Annotation	Unknow
Peak:m/z	Relative Intensity
52.96116	0.2
55.01865	0.4
59.01378	100.0
60.01714	0.9
61.98819	0.6
70.81435	0.2
70.81812	0.5
71.01380	3.8
73.02956	1.4
74.54636	0.2
75.02341	0.2
83.01422	0.3
85.02953	1.6
87.00865	0.2
89.02459	0.8
95.01405	0.3
96.96018	0.8
97.02967	0.3
98.68431	0.2
99.00889	0.4
101.02447	2.2
103.66987	0.2
113.02445	1.5
134.03952	0.2
136.76114	0.2
137.02505	0.3
143.03522	0.4
150.13467	0.2
159.03090	0.3
161.02467	0.3
161.04547	1.7
167.03543	0.3
191.05678	0.3
208.24049	0.2
214.95497	0.2
271.55771	0.2
306.62308	0.2
308.55139	0.2
327.21875	0.6
401.25458	2.9
443.16638	0.3
443.21756	0.3
443.26801	0.6
444.27203	0.3
445.24661	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	444.2599
Annotation	Unknow
Peak:m/z	Relative Intensity
52.13924	0.7
55.78359	0.7
59.01377	2.0
59.80016	0.6
61.98827	100.0
71.62763	1.2
78.95924	1.1
85.02945	6.2
90.33382	0.7
110.98614	1.0
162.73679	0.8
185.02164	1.3
191.01962	2.2
277.21683	25.5
343.81674	0.8
444.31900	0.8
445.23953	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	443.2647
Annotation	Unknow
Peak:m/z	Relative Intensity
53.16814	0.7
59.01375	100.0
61.98811	2.2
68.29491	0.8
71.61991	0.9
71.62363	1.3
77.08069	0.8
89.02462	1.5
91.04005	4.5
94.46080	0.9
96.96002	9.5
98.95558	2.1
99.92573	6.8
111.08129	2.3
115.92071	2.4
116.92837	4.3
120.48527	0.9
197.11839	6.3
202.07520	0.8
207.10228	1.9
263.20227	0.8
291.19614	4.3
309.20633	10.8
390.11838	0.9
443.13687	1.1
443.23920	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.2648
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	100.0
61.98844	3.7
71.61371	1.1
74.13121	0.7
77.17063	0.7
77.61202	0.6
85.69034	0.7
88.98768	0.8
102.59753	0.7
110.79125	0.8
120.53034	0.7
209.11829	1.2
265.34436	0.9
291.19785	2.5
309.20752	3.9
383.12494	0.9
391.56607	1.0
427.51822	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.1917
Annotation	Mitoxantrone
Peak:m/z	Relative Intensity
54.82922	0.5
55.01863	1.3
57.03436	1.7
58.00596	1.3
59.01377	31.1
59.92499	0.5
60.99312	5.6
63.02382	0.6
65.00323	3.5
71.01379	21.6
71.60970	0.6
72.99298	2.0
73.02942	4.7
75.00869	5.6
77.63996	0.5
79.37933	0.5
83.01373	5.1
83.05003	0.9
85.02946	10.4
87.00876	1.8
88.98801	35.5
89.02438	15.8
89.02990	0.9
93.03440	6.3
95.01373	1.8
96.95994	1.0
99.00873	1.8
101.01767	1.1
101.02438	19.1
107.01395	7.9
111.04524	1.8
113.02431	9.1
117.03456	1.1
119.03495	6.5
119.99633	0.5
121.06602	0.7
125.02422	4.9
131.03455	0.5
135.04515	8.9
137.02475	1.3
145.02966	0.5
149.02437	0.6
151.00368	21.7
152.00600	0.6
159.04515	3.1
161.02444	5.4
161.04536	1.2
166.53143	0.5
170.63203	0.5
173.04559	11.0
173.05991	1.0
177.05630	0.6
179.03491	7.0
179.05260	0.7
189.12856	1.2
191.05603	20.2
201.05554	4.8
202.06058	0.6
219.13786	0.7
237.14906	1.0
238.81853	0.5
245.04515	93.5
246.04861	6.3
321.17010	3.2
323.18616	1.9
353.08774	9.8
354.09198	1.1
383.20615	0.6
407.09769	36.7
408.10126	3.0
443.19180	100.0
444.19510	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	443.2471
Annotation	Unknow
Peak:m/z	Relative Intensity
63.24017	0.7
63.27522	0.7
69.39906	5.3
70.34047	0.7
112.79922	0.7
159.08437	3.6
184.19072	0.7
187.34416	0.7
217.07161	1.1
261.04395	0.8
277.07452	2.6
345.13754	1.0
357.13586	2.3
359.15305	100.0
360.15479	13.7
427.21555	48.8
428.21661	7.5
443.24731	12.4
444.24832	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.2645
Annotation	Unknow
Peak:m/z	Relative Intensity
54.33254	0.9
59.01375	100.0
61.98817	2.0
65.90862	1.0
71.01355	1.0
71.62575	1.3
73.98331	0.9
82.28215	0.9
91.04000	1.5
96.96003	22.3
98.65195	1.0
99.92561	2.5
109.06577	2.8
113.02509	1.2
116.92879	1.0
127.00097	1.1
182.65048	1.0
191.59583	1.1
197.11781	3.1
199.40526	1.1
202.24324	1.0
207.10260	3.6
215.17441	1.0
216.45407	1.0
291.19702	5.2
309.20609	8.8
400.17404	1.1
443.24799	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.3369
Annotation	5alpha,8alpha-epidioxysterol
Peak:m/z	Relative Intensity
50.27307	0.2
50.60865	0.2
59.20013	0.2
61.40573	0.2
61.98799	0.2
71.61644	0.4
71.98260	0.2
79.95747	0.2
96.95998	0.8
101.11842	0.2
111.84325	0.2
175.78516	0.3
222.21097	0.2
253.40576	0.2
358.04556	0.2
403.83051	0.2
441.33670	100.0
442.34012	12.5
461.39642	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	442.1562
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	0.7
61.98826	100.0
71.01384	0.6
71.61757	0.5
71.62126	0.3
72.99354	0.3
73.02927	0.3
74.02471	0.3
74.73298	0.3
85.02959	0.9
87.00893	0.4
89.02454	0.6
91.57793	0.3
93.03462	1.3
96.96014	1.3
101.02419	0.4
109.02927	0.4
135.04532	1.5
137.02510	0.5
152.01079	0.3
161.02498	0.8
173.04596	1.2
178.66617	0.3
179.03593	0.7
191.05615	8.0
192.05870	0.4
240.07530	0.6
247.64459	0.3
254.07922	0.3
306.07581	0.4
313.43240	0.3
353.08676	0.8
382.17398	0.6
383.19028	0.7
402.67703	0.3
411.98459	0.3
442.12302	0.4
446.94128	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.0829
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46442	0.7
59.01377	7.4
60.99307	15.0
67.01887	1.7
69.03465	0.8
70.61971	0.9
70.62285	1.5
71.01386	5.9
73.02953	0.9
76.22220	0.8
85.02948	4.9
88.98804	100.0
89.02449	3.3
93.03452	11.0
96.96021	2.8
101.02456	3.0
109.02976	1.6
111.00927	1.2
111.04507	2.3
113.02425	1.9
119.03497	0.9
128.35965	0.9
135.03471	1.9
135.04515	39.0
136.04794	1.6
137.02432	3.2
155.03499	3.5
161.02470	2.9
173.04546	53.8
174.04889	2.5
179.03482	32.0
180.03847	1.7
191.05605	31.1
192.05992	2.0
245.04482	0.9
287.05545	1.0
320.83282	0.9
353.08737	47.8
354.09094	3.5
443.19183	14.4
444.19916	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.0826
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	4.2
60.99309	14.8
64.23388	0.6
69.71580	1.5
69.71977	3.6
71.01378	3.0
85.02943	3.9
87.00886	0.9
88.98804	100.0
89.02457	1.2
89.99182	0.9
93.03439	2.3
98.20573	1.3
101.02442	1.4
111.04517	0.8
116.95407	0.7
123.91489	0.7
127.03990	1.0
135.04614	0.7
161.02409	1.6
173.04573	1.3
179.03461	1.1
191.05605	66.7
192.05978	2.9
245.04532	1.8
293.22095	0.6
294.10471	0.8
353.08801	9.6
354.09128	0.8
431.53238	0.8
443.19238	9.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.1741
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	3.5
59.64045	0.3
70.90453	0.5
71.01360	0.8
73.02946	0.8
79.95737	3.3
83.01395	0.3
85.02932	0.6
93.03451	1.0
95.95230	4.8
96.96008	100.0
97.95948	0.3
101.02425	1.0
113.02463	0.4
121.02934	0.3
133.02881	0.4
135.04539	0.7
137.02423	0.8
145.02950	0.4
161.02426	0.9
161.04533	0.3
173.04500	1.3
179.03511	0.5
191.05592	0.9
211.67627	0.2
221.11705	0.4
231.06956	1.0
231.57162	0.6
232.06808	0.6
239.06674	9.3
239.56854	7.2
240.06593	4.3
240.56697	2.0
284.50040	0.3
323.05606	0.5
365.17984	0.7
366.18201	0.4
367.15793	0.8
381.17392	0.3
385.13431	0.3
399.18445	47.4
400.18701	5.2
443.17422	86.5
444.17657	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	441.2856
Annotation	Unknow
Peak:m/z	Relative Intensity
53.10538	2.0
53.16385	2.1
59.01384	5.0
59.41278	2.4
68.73771	2.2
71.01381	5.3
71.61559	2.6
71.61934	2.5
73.02946	7.3
77.73994	2.1
89.02451	2.2
101.02450	15.8
141.73470	2.0
143.03505	2.1
145.22878	2.0
159.62109	2.2
161.04547	16.1
242.66312	2.1
279.23273	100.0
280.23685	5.7
291.19742	2.4
441.25342	3.9
441.33633	4.5
442.40454	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	441.2492
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	0.4
58.94217	0.3
59.01377	100.0
60.01709	1.0
61.98836	1.2
67.01910	0.4
71.01382	7.3
71.61974	0.3
72.99298	0.3
73.02943	1.7
73.83009	0.3
75.00869	0.4
79.95724	0.3
82.95418	0.7
83.01395	0.8
83.05016	0.3
85.02951	3.4
87.00884	0.5
89.02435	2.0
93.03460	0.7
95.01395	0.7
96.95988	2.1
99.00888	0.9
99.92612	0.4
101.02435	4.0
102.02776	0.3
109.02964	0.3
111.04543	0.2
113.02443	2.4
113.65978	0.2
115.92085	0.3
121.02970	0.4
125.02468	0.4
133.02998	0.4
134.03778	0.4
135.04486	0.8
137.02467	0.6
143.03499	0.3
147.02997	0.4
153.47087	0.2
159.02942	0.3
161.02495	0.5
161.04547	3.0
173.04561	0.6
178.02655	0.5
178.56483	0.3
179.03481	0.3
191.05594	1.7
236.17117	0.2
275.09686	0.2
298.14929	0.3
399.23843	3.6
399.28616	0.3
400.24399	0.3
423.61105	0.3
441.20609	0.7
443.22885	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.2493
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	100.0
60.01709	0.8
61.98818	1.3
69.70002	4.0
94.87435	0.8
96.96004	1.5
100.19168	0.9
128.36824	0.7
171.10283	1.4
217.00218	1.5
233.57103	0.9
289.18335	1.2
307.19125	3.2
441.26572	1.2
441.33643	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	441.2493
Annotation	Unknow
Peak:m/z	Relative Intensity
52.36670	1.1
52.71235	1.3
55.01884	1.3
57.03442	5.9
59.01378	22.8
61.98816	3.5
69.80087	1.0
71.01382	29.8
71.62106	1.5
81.03448	2.4
85.02937	3.9
87.59216	1.2
88.51820	1.2
92.99397	1.3
96.96000	2.0
96.99309	24.8
99.00890	1.6
110.03743	2.6
111.04501	1.5
112.98775	5.3
115.00375	27.0
125.99471	1.2
129.01938	16.1
129.24139	1.2
139.11256	3.6
147.02982	1.4
181.12244	3.4
191.01939	1.7
195.13826	2.3
196.14694	1.4
209.51762	1.2
249.14871	4.7
249.22208	1.9
280.77872	1.3
293.21228	49.7
294.21436	3.8
309.20831	1.5
311.22272	100.0
312.22571	9.4
321.24365	10.2
365.23138	5.2
409.22272	36.5
410.22559	3.7
413.95132	1.5
435.34155	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	441.249
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	100.0
61.98807	2.1
69.53738	0.9
87.86282	1.1
96.95984	1.4
120.32872	1.0
129.61517	1.0
254.59906	1.1
289.18060	3.2
307.19119	4.5
327.64709	1.0
342.78638	1.1
441.33795	1.5
469.76981	1.1
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
57.03437	1.0
59.01376	100.0
61.98809	3.0
68.99569	11.4
69.03458	1.0
69.78664	2.1
69.79057	1.6
71.01377	22.2
72.13393	0.7
72.99297	1.9
73.02946	18.7
76.48515	0.8
83.01392	6.5
85.02953	3.9
85.13213	0.9
89.02444	9.9
95.01376	1.3
95.72388	0.8
96.95992	3.2
99.02730	1.0
99.92579	1.0
101.02436	22.2
112.98559	14.1
113.02465	6.9
116.92822	1.2
119.03482	3.4
125.02406	1.1
128.03542	3.7
131.03485	1.9
139.08109	0.7
143.03500	2.0
149.04466	0.9
154.32126	0.8
161.04495	2.5
179.05574	1.9
184.87004	0.8
269.15787	1.5
369.18518	1.4
441.16916	2.0
441.33646	33.0
442.33990	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	441.2491
Annotation	Unknow
Peak:m/z	Relative Intensity
53.42239	0.2
56.57862	0.3
58.00580	0.3
59.01376	100.0
60.01694	1.4
60.06800	0.3
61.98833	1.4
69.42724	1.4
69.43130	0.7
71.01369	3.6
73.02959	1.3
78.60715	0.2
79.95770	0.4
83.01387	0.4
83.05054	0.3
85.02961	0.9
87.00906	0.3
89.02443	1.8
93.03419	0.3
95.01416	0.3
96.96013	1.5
98.95679	0.3
99.00881	0.5
101.02426	1.9
109.02997	0.4
113.02444	1.2
113.03602	0.8
114.01997	0.8
119.03497	0.9
122.03719	0.3
125.02441	0.5
128.03566	0.3
131.04614	1.7
135.04529	0.6
137.02464	0.6
161.02347	0.4
161.04532	0.6
173.04588	0.6
177.00946	0.4
178.02742	0.3
179.03505	0.4
191.05632	1.2
237.15128	0.3
285.03964	0.4
361.93344	0.3
381.17752	0.5
399.24112	1.0
441.19595	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	441.2491
Annotation	9-Hydroxynerolidol-9-O-beta-D-glucopyranoside-2'-O-acetate
Peak:m/z	Relative Intensity
55.01868	0.4
57.03452	0.3
59.01377	100.0
60.01712	0.9
61.98836	1.0
65.20354	0.2
70.68063	0.6
71.01380	5.3
72.99313	0.3
73.02937	1.4
83.01385	0.7
85.02937	2.2
89.02438	2.2
93.03419	0.4
95.01389	0.5
96.95992	1.5
99.00867	0.6
101.02441	3.5
113.02442	2.3
113.42229	0.2
114.01998	0.3
116.19398	0.2
119.03513	0.9
121.03011	0.4
131.04607	0.3
137.02516	0.4
143.03520	0.6
159.03021	0.3
161.04581	1.3
173.04507	0.4
179.05643	0.5
191.05676	0.8
249.27116	0.3
341.19165	0.3
381.22675	0.3
399.24081	0.9
441.21350	0.4
441.33350	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.2492
Annotation	Unknow
Peak:m/z	Relative Intensity
55.04652	0.9
57.03430	2.8
59.01370	2.1
61.98813	1.1
71.01376	26.3
73.86992	0.7
79.66795	0.9
89.62933	0.9
91.69506	0.7
93.59656	0.7
96.99306	20.8
99.00863	6.4
112.64114	0.9
112.98801	1.9
115.00365	21.5
129.01939	9.0
134.46033	0.7
139.11267	4.2
141.12845	0.8
143.10722	1.6
144.34320	0.7
147.02998	1.0
155.10750	1.8
167.10785	5.2
174.20381	0.7
181.12315	1.3
182.47069	0.9
183.10214	0.7
209.11816	0.8
211.13158	0.9
214.12137	1.0
229.20834	0.8
261.71088	1.0
262.33405	1.0
265.21674	1.2
275.20074	0.9
293.21201	9.9
294.21390	0.8
309.20779	7.6
311.22250	100.0
312.22574	8.2
321.24301	6.6
323.68512	0.9
329.21249	1.0
347.22134	2.6
365.23242	2.1
409.16895	1.6
409.22299	26.8
410.22562	4.1
440.27463	0.9
441.33691	20.4
442.34088	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	441.1975
Annotation	Unknow
Peak:m/z	Relative Intensity
53.53027	1.1
55.01857	2.2
57.03436	2.5
57.05797	1.0
58.00596	1.4
58.78446	0.9
59.01376	34.3
61.98791	1.4
65.34653	0.9
69.03425	1.1
69.78765	1.9
69.79166	6.3
71.01376	32.4
72.99291	1.6
73.02934	12.9
78.95900	1.3
79.95716	1.1
83.01375	6.3
85.02953	18.5
87.00859	3.2
89.02431	10.4
93.03472	6.8
95.01383	1.3
96.95995	4.1
97.02919	1.3
99.00875	4.5
101.02434	28.1
102.42715	1.0
103.04035	1.6
111.00880	1.9
111.04543	1.3
113.02457	12.1
115.03922	1.3
119.05005	2.1
123.00840	1.2
125.02410	2.5
127.04008	1.4
131.03499	6.7
133.02956	2.4
135.04524	1.5
143.03465	1.5
149.04570	1.8
159.02975	2.4
161.02495	5.1
161.04514	9.4
163.04065	1.1
165.04007	3.1
173.04558	6.4
176.04704	1.6
177.09149	4.4
179.03477	1.9
187.07591	1.5
189.56470	1.1
191.05597	48.7
191.07339	2.7
192.05940	4.2
196.55923	1.1
205.08675	2.3
217.07234	1.0
231.10146	2.3
233.06827	1.4
247.06425	13.7
247.56548	2.4
248.06482	1.3
249.11168	5.9
249.13408	25.7
261.00775	1.1
275.09250	3.5
285.28262	1.2
311.11420	4.2
355.10443	2.4
381.17596	100.0
382.17905	9.6
441.13809	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	439.2336
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03427	6.7
59.01379	3.7
61.98819	4.7
62.41127	2.2
66.32352	2.1
71.01383	31.6
84.83488	2.0
86.11275	3.1
95.06774	2.2
96.96015	5.5
96.99303	41.6
98.19897	8.0
99.00893	2.6
112.98786	8.2
115.00365	28.0
116.95039	2.2
123.08138	5.0
129.01924	18.7
137.09816	2.5
139.11253	2.3
151.11226	2.7
166.66464	2.7
213.65349	2.5
215.84846	2.5
221.11777	4.1
228.64102	2.6
229.11787	2.6
233.06790	2.9
239.12854	2.5
247.20609	8.2
249.14949	5.7
291.19650	100.0
292.19934	8.6
309.20697	96.9
310.21048	8.6
319.22714	5.5
368.88568	2.4
407.20734	32.5
437.13232	2.2
439.24817	6.5
448.59540	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	439.2695
Annotation	Unknow
Peak:m/z	Relative Intensity
54.21458	1.4
54.44746	1.5
59.01384	4.0
71.01391	4.5
71.61190	2.3
73.02946	5.4
73.33880	1.6
74.52136	1.5
76.16214	1.5
85.02930	3.7
90.59602	1.6
99.05848	1.5
101.02428	16.6
110.85200	1.6
131.03496	2.8
160.84190	3.0
161.04552	20.9
162.83908	4.8
277.21701	100.0
278.21979	8.5
439.32300	3.7
464.42792	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	440.1772
Annotation	Unknow
Peak:m/z	Relative Intensity
54.29654	0.3
54.35797	0.3
58.67060	0.3
59.01375	44.4
60.01701	1.0
61.49836	0.5
61.98826	100.0
71.01382	3.9
71.61968	0.5
73.02937	2.7
79.95747	0.5
83.01414	1.2
85.02962	1.1
86.01174	0.4
87.00868	0.5
88.04066	0.4
88.72431	0.3
89.02449	1.2
93.03468	0.7
93.59242	0.3
96.96025	1.4
97.01089	0.4
97.02937	0.4
101.02418	3.9
113.02463	1.8
122.03230	0.3
131.03665	0.4
131.04639	0.9
132.03046	0.9
135.04567	0.5
139.58922	0.4
161.04573	0.5
173.04552	0.4
178.02731	0.5
189.17212	0.4
191.05641	1.0
207.78210	0.3
219.13866	0.5
230.63879	0.4
230.84540	0.4
231.07037	0.6
236.14270	0.5
237.15109	0.6
291.18106	2.8
323.18845	0.4
331.21246	0.4
333.19299	0.8
365.14230	0.8
383.15411	0.9
397.17004	1.7
420.17462	0.4
441.15967	2.5
441.21344	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	439.2333
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	4.2
59.01372	2.3
61.98830	1.4
64.27309	0.7
67.94102	0.7
70.88765	1.7
71.01379	29.9
83.05013	0.9
94.64713	0.8
96.95976	2.6
96.98705	1.5
96.99304	23.9
99.00862	3.5
107.08653	1.2
112.98741	3.1
115.00365	61.1
125.09696	2.1
126.17915	0.9
129.01953	12.0
134.18025	0.7
137.02428	1.1
139.11273	3.0
147.03038	4.6
153.09138	0.9
155.10774	1.2
165.63440	0.8
167.10718	2.1
185.11777	0.8
199.09798	1.8
200.10500	1.2
201.11263	1.5
213.11258	1.9
214.12076	0.8
240.13695	1.8
241.13963	0.8
247.20703	1.3
257.08578	1.0
265.21460	0.9
291.19614	12.3
307.19339	4.3
309.20694	100.0
310.21017	7.8
319.22815	4.4
345.20709	1.3
363.21640	3.1
389.96790	0.9
407.20789	15.7
408.20917	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.2335
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	100.0
60.01711	1.1
61.98835	1.3
64.40855	0.3
69.62019	2.3
71.01372	1.4
72.99300	0.5
73.01398	0.3
73.13864	0.4
79.95741	0.4
80.38219	0.4
81.03471	0.5
83.05029	2.0
85.02966	0.6
93.03448	0.4
95.95183	0.4
96.96010	5.8
98.19946	0.8
100.67451	0.4
101.02419	0.4
113.02446	0.5
131.04642	0.7
135.04550	0.8
139.95334	0.4
160.11174	0.4
161.02477	0.7
173.04599	0.4
174.47729	0.4
187.05093	0.4
191.05630	1.3
199.27876	0.4
206.35287	0.4
211.13445	0.7
233.06494	0.5
243.17091	1.1
287.02036	0.4
439.06653	0.6
439.18552	0.6
439.24207	2.1
440.31320	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	439.2335
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03429	6.4
59.01366	3.6
61.98823	13.1
69.68440	14.3
71.01384	10.6
96.95998	5.9
96.99305	27.0
99.00871	5.2
112.98788	3.2
115.00349	11.9
129.01947	15.4
145.82137	2.3
147.02992	9.2
151.24818	2.2
153.12862	3.6
159.20108	2.3
165.12880	4.0
181.12386	2.7
186.29776	2.5
190.29524	2.1
197.11990	2.1
210.82364	2.9
222.19508	2.3
247.20563	5.5
291.19638	45.9
292.19919	6.2
309.20660	100.0
310.20953	5.8
407.20752	6.3
439.15707	7.3
439.22897	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	439.2332
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	2.5
59.01376	1.7
65.01714	1.0
71.01377	59.8
71.62132	1.1
87.63719	1.1
96.96013	1.3
96.99316	12.2
99.00889	1.5
112.98769	2.0
115.00364	100.0
125.02398	1.2
125.09695	4.0
129.01912	7.0
137.09741	1.6
147.03087	2.3
161.71558	1.0
171.10222	3.2
185.11765	1.1
193.12251	1.7
199.09721	4.2
200.10478	2.3
201.11203	2.0
222.90460	1.1
234.72557	1.0
247.20589	3.6
248.78606	1.2
273.18185	1.4
291.19595	14.2
298.10767	1.4
301.21585	2.3
307.19101	1.7
309.20685	92.4
310.21088	7.4
319.22714	3.9
345.20569	4.8
363.21658	17.9
364.22067	1.7
389.19702	1.8
407.20731	56.8
408.20935	6.8
439.32449	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	439.1817
Annotation	Unknow
Peak:m/z	Relative Intensity
57.49160	1.2
58.00567	2.6
59.01375	74.0
61.86630	1.0
69.51897	1.2
69.59733	2.8
69.60136	5.7
71.00993	2.3
71.01382	43.3
72.99303	1.7
73.02937	11.8
78.27646	1.0
83.01391	2.7
85.02942	7.8
87.00856	1.8
89.02439	75.8
93.03441	3.0
96.96007	7.3
97.02925	1.3
98.20640	1.3
99.00877	16.5
101.02436	34.2
113.02441	11.5
119.03489	11.8
125.02421	3.4
131.03514	10.4
133.02916	1.3
135.04504	5.2
143.03485	3.0
149.04549	34.6
155.03568	1.6
161.02370	2.9
161.04506	4.6
173.04539	10.9
179.03461	4.3
179.05585	5.6
189.80746	1.3
191.05595	13.5
221.06647	2.8
226.86502	1.5
233.06662	17.4
234.07266	1.4
247.11829	4.0
251.07761	3.9
264.59155	1.2
379.16037	100.0
380.16364	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	439.1064
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	1.5
61.55138	0.2
61.98840	0.3
71.01383	0.5
71.61671	0.5
79.95734	31.7
82.95417	1.9
85.02945	0.9
93.03443	1.0
95.95238	0.9
96.96005	100.0
97.95949	0.3
99.91860	0.2
109.02947	0.8
109.96822	0.5
110.97573	1.9
125.02412	0.5
133.02927	0.4
135.04506	0.7
136.99109	0.4
137.02463	0.5
141.95767	2.3
145.03009	0.4
161.02458	1.1
165.01886	0.4
167.00127	0.8
173.04607	2.1
179.03470	0.4
191.05602	4.2
191.07182	0.2
192.05969	0.4
197.40936	0.2
233.06642	0.8
241.05049	0.3
241.14423	0.8
247.06148	0.5
256.90070	0.3
267.06537	0.3
277.09259	0.4
313.10684	0.7
344.12796	0.7
359.15005	0.7
379.17398	0.6
393.06439	0.4
424.08261	1.0
439.10626	58.9
440.10901	6.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.1064
Annotation	Hallactone B
Peak:m/z	Relative Intensity
51.43362	0.4
53.14044	0.3
53.14357	0.3
59.01365	0.9
61.58860	0.3
66.90166	0.3
70.41987	0.3
71.07434	0.6
71.07783	0.5
79.95733	58.2
80.96530	0.7
87.34787	0.3
87.71732	0.4
95.95226	16.0
96.96004	100.0
103.93211	0.4
108.02180	0.7
109.96805	0.6
110.97569	5.7
121.02964	0.5
135.04480	0.6
137.02444	2.9
141.95807	1.7
149.99850	2.1
150.69576	0.4
160.05219	0.5
163.03961	0.7
164.04770	0.6
164.98540	0.5
173.04539	0.4
175.04057	0.4
175.07613	0.6
177.05576	0.9
178.06279	0.5
183.22058	0.4
237.86290	0.3
259.02753	2.4
273.04321	0.6
296.67432	0.3
315.05490	0.6
329.14023	0.7
424.08273	3.8
425.08557	0.5
439.10620	98.9
440.10941	9.9
440.17001	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.1064
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	16.3
61.98837	1.7
61.99105	0.3
62.32854	0.3
69.29418	3.0
71.01402	0.4
73.02938	0.4
78.95930	0.3
79.95735	30.8
80.96508	1.0
85.02961	0.3
86.04568	0.3
89.02467	0.3
93.03454	0.8
95.95224	13.3
96.96004	77.7
97.02944	0.3
98.20687	0.6
103.75047	0.3
107.39511	0.3
109.02935	1.0
109.96786	0.4
110.97574	8.3
119.05008	0.7
121.02962	0.9
123.04522	0.6
125.02438	0.5
133.02936	1.2
135.04488	1.2
136.99133	6.6
137.02463	0.8
141.95789	2.2
151.03931	0.7
161.02435	3.6
163.03957	0.6
165.05559	0.8
167.00182	39.5
168.00513	0.9
173.04578	0.6
175.04037	0.4
179.03510	0.9
191.03409	0.3
191.05614	0.8
205.04951	0.4
245.08177	0.5
257.01224	1.3
285.04333	2.7
289.07236	1.7
301.03888	2.2
344.12833	0.4
359.14981	0.7
379.13644	0.3
389.27475	0.3
393.06546	1.0
401.12186	2.1
403.13324	0.4
424.08362	1.6
439.10629	100.0
440.10947	9.0
440.16980	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.0881
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03479	0.7
59.01375	100.0
62.46637	0.5
68.08883	0.6
69.03440	1.0
69.59033	1.6
69.59465	2.4
71.01396	1.3
73.02950	0.6
83.05019	0.9
85.02953	2.3
93.03456	4.0
109.02905	1.0
111.04514	3.1
127.04020	1.0
133.03006	0.6
135.04532	1.4
149.02455	0.7
150.03195	3.1
155.03514	2.7
161.02432	3.9
165.01903	1.2
165.05544	2.6
171.74835	0.6
173.04524	14.6
179.03410	0.9
180.04242	1.0
191.05602	26.3
192.05930	1.0
195.06616	6.0
204.17461	0.6
233.06638	97.3
234.06966	3.3
331.11911	0.9
353.08624	1.8
379.15887	1.9
389.90173	0.7
395.09650	0.8
439.16528	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.1063
Annotation	Unknow
Peak:m/z	Relative Intensity
51.32216	0.2
54.40818	0.2
59.01378	0.2
60.56340	0.2
61.05494	0.2
67.74409	0.2
71.07262	0.4
73.57833	0.2
77.62700	0.2
79.95734	7.7
95.95242	0.3
96.96004	100.0
97.95963	0.3
98.95613	0.5
108.47199	0.2
110.97566	0.6
121.02958	0.5
135.04488	0.2
137.02446	0.6
137.16338	0.2
147.04446	0.3
150.03314	0.2
151.03981	0.5
191.05707	0.2
212.80208	0.2
221.20439	0.2
231.06949	3.6
231.57085	0.5
238.06386	0.2
239.06699	1.1
258.35748	0.2
269.08170	1.9
270.08679	0.2
281.08185	0.4
299.09229	1.2
314.11609	2.1
315.12244	0.6
329.14026	0.4
332.33563	0.2
365.17905	1.3
387.92908	0.2
400.66028	0.2
424.09113	0.2
439.10638	37.3
440.10974	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	439.0879
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03429	0.9
59.01373	38.2
60.01701	0.6
67.01881	2.6
67.92511	0.4
69.03442	0.6
69.66029	0.4
71.01383	4.3
71.61267	0.8
73.02935	0.9
74.37831	0.4
83.05001	0.7
85.02945	1.6
87.00869	1.0
89.02418	2.6
93.03453	16.8
96.96004	2.1
99.00900	0.7
99.04543	0.7
100.12923	0.4
101.02435	1.9
109.02898	1.1
111.00880	0.8
111.04509	4.3
113.02460	1.1
119.03488	0.8
127.04018	0.8
133.02925	0.5
135.04478	1.8
137.02435	4.4
149.04527	1.4
155.03508	3.9
161.02412	2.0
161.04491	0.5
165.05583	0.6
173.04529	89.4
174.04810	2.7
179.05603	0.9
191.05589	22.7
192.05945	0.8
195.06645	1.3
233.06628	100.0
234.06979	4.3
247.11885	1.3
335.07559	0.5
353.08691	1.5
379.15878	4.1
395.09769	1.1
439.07907	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.0865
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	15.1
69.51654	2.5
75.73046	0.3
78.95900	45.4
79.03671	0.3
79.68251	0.3
79.95744	0.7
84.30191	0.3
93.03452	0.5
95.73291	0.3
96.96030	21.4
96.96955	100.0
135.04503	0.7
155.03438	0.5
161.02435	0.5
173.04567	2.7
173.38101	0.3
191.05623	3.7
192.05887	0.4
195.33403	0.3
206.21262	0.4
224.10266	0.3
232.92058	0.3
233.06653	16.2
234.07013	0.7
439.08456	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	439.0857
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	0.9
61.98826	0.3
63.51511	0.3
64.81934	0.3
67.58257	0.3
69.04976	0.3
69.05365	0.3
69.39447	2.4
71.01389	0.7
78.95900	45.3
83.68012	0.3
89.02448	0.4
89.58873	0.2
96.96048	9.4
96.96954	100.0
101.02444	0.3
119.03539	0.3
134.40018	0.3
179.05559	0.3
269.30176	0.3
341.10873	1.2
439.08545	1.5
439.11395	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.0332
Annotation	Unknow
Peak:m/z	Relative Intensity
56.55445	0.1
59.01098	0.2
59.01376	1.6
59.71520	0.1
61.98827	0.3
62.11763	0.1
71.01362	0.8
71.61810	0.1
71.62182	0.3
72.99287	0.1
73.02939	0.3
75.38741	0.2
78.95903	1.2
79.03859	0.1
79.95736	3.1
80.96545	0.2
83.01376	0.2
85.02946	0.5
87.00890	0.2
88.98837	0.2
89.02432	0.3
93.03458	0.5
96.96005	100.0
97.95947	0.3
98.95590	0.3
101.02443	0.6
106.06616	0.3
109.02972	0.7
110.97618	0.2
113.02460	0.3
119.04982	0.2
121.02961	0.2
123.04549	0.4
125.02452	0.4
133.02927	0.5
135.04491	0.6
137.02423	1.1
139.99287	0.1
145.02945	0.1
147.04605	0.1
149.02411	0.1
150.05579	0.2
151.04037	0.2
152.36789	0.1
161.02435	0.7
161.04520	0.2
163.03993	0.3
165.01920	0.4
173.04514	0.7
175.07693	0.1
177.01936	0.6
179.03462	0.4
189.01898	0.8
190.02676	0.2
191.05583	1.6
217.01422	0.5
219.02963	0.3
229.08772	0.2
231.03108	0.1
233.06645	0.4
236.27025	0.2
239.06706	0.4
277.16534	0.3
287.05408	0.1
289.07156	0.2
341.06616	2.2
342.06940	0.2
367.11594	0.2
385.12823	0.6
401.12396	0.2
403.13815	0.9
439.10620	2.4
439.15833	0.4
439.21982	0.5
440.11301	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.145
Annotation	Unknow
Peak:m/z	Relative Intensity
52.34260	0.6
57.03439	1.6
59.01375	15.1
60.99353	0.7
61.98823	3.3
67.01886	3.5
69.03442	1.3
69.24905	7.7
71.01373	5.4
72.72424	0.7
72.99295	1.2
73.02946	1.2
79.95741	1.1
85.02944	1.8
93.03452	20.6
96.95997	4.0
98.20716	1.6
101.02441	2.7
101.06077	32.7
109.02962	1.2
111.00848	1.7
111.04550	4.1
113.02443	1.9
113.15406	0.9
133.02957	1.8
135.04491	2.5
137.02437	4.9
155.03494	4.5
161.02434	2.4
161.04565	1.0
173.04530	100.0
174.04935	3.7
177.01892	1.1
189.01959	2.4
189.10773	0.8
191.05614	4.7
217.01395	1.3
275.11346	73.2
276.11679	4.5
291.18143	4.4
329.84058	0.7
419.11118	1.5
437.14142	1.1
437.23526	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	437.1084
Annotation	Unknow
Peak:m/z	Relative Intensity
55.06454	1.0
59.01372	4.0
61.98833	1.9
65.00330	3.6
66.19534	0.9
69.03459	1.7
71.01385	2.3
71.12099	2.3
79.01897	1.2
79.40054	1.0
81.03445	2.8
82.95401	1.8
83.01398	4.0
85.02960	1.9
87.00881	4.8
88.98759	1.5
89.02454	1.2
91.55601	1.0
93.03442	3.1
94.02960	2.0
95.01369	1.9
95.05019	1.0
96.96007	5.3
97.02950	5.7
101.02417	1.5
105.42591	0.9
107.01382	4.3
108.02169	9.4
109.02973	6.4
113.02487	1.1
120.01263	1.0
121.02982	5.5
123.04492	5.4
125.02428	14.3
131.04610	1.9
132.02153	2.1
133.02966	1.5
135.04532	1.6
136.01602	1.2
137.02440	3.7
138.01933	1.1
139.04065	1.1
147.04503	3.0
149.02370	4.5
150.03210	2.3
151.00336	13.3
151.03970	1.4
152.01128	1.4
153.01967	1.7
155.03503	1.6
157.89821	1.1
161.02483	2.8
163.00360	4.4
164.01161	3.7
165.01913	8.4
165.05550	2.9
166.02705	1.6
167.03510	4.2
173.04581	1.7
174.03172	2.2
176.01073	5.2
177.01938	2.8
187.03941	2.3
189.05548	1.9
191.03470	4.7
191.05374	5.0
192.05907	1.1
193.01395	13.6
205.01402	1.3
215.03568	2.1
216.04250	1.7
223.02544	2.3
229.04945	1.0
231.06609	2.8
240.07481	4.1
240.57588	1.6
245.08250	1.3
249.07771	0.9
259.02475	12.0
260.03195	5.3
272.02936	1.0
273.04108	4.2
273.07367	1.4
274.04755	5.4
275.05573	28.4
287.05548	3.4
289.07410	2.0
301.03601	1.7
301.06900	1.2
302.04306	4.3
317.06601	100.0
318.07080	7.1
329.06769	1.8
347.03424	1.3
347.07693	25.2
348.07996	1.9
437.10876	5.5
437.15701	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	437.0908
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	3.4
61.98826	0.5
69.34188	2.0
71.01364	0.4
75.31394	0.2
78.95893	0.3
79.95734	7.3
80.96507	0.5
82.35006	0.2
85.02959	0.3
88.38045	0.2
90.26472	0.2
95.95230	5.8
96.96003	100.0
97.95953	0.3
102.20132	0.2
107.04998	0.2
108.42417	0.2
121.02894	0.3
123.04512	0.2
125.95808	0.2
135.04570	0.3
136.99132	1.8
148.80876	0.2
161.04498	0.2
167.00180	5.2
189.01863	1.4
194.97292	0.2
212.52571	0.2
217.01360	0.7
271.02698	0.5
281.11786	0.4
315.18137	0.3
321.70969	0.2
327.12460	0.2
357.13397	1.0
417.21378	0.2
437.09039	79.9
438.03583	0.5
438.09387	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	436.1391
Annotation	Unknow
Peak:m/z	Relative Intensity
52.59700	1.1
58.02971	10.8
58.99600	2.2
59.01379	3.3
60.88396	1.2
61.98838	1.6
71.01363	2.9
71.61198	1.2
72.00906	1.4
72.99299	1.2
74.02470	23.2
82.02964	3.2
82.95410	28.1
85.02940	2.3
86.02480	9.7
86.99106	1.6
87.05631	7.0
90.00200	2.1
93.03457	1.7
96.04571	1.3
96.96012	8.4
97.04024	1.9
98.17483	1.2
99.05633	20.3
100.52814	1.1
101.07211	4.2
102.05608	2.6
108.02182	2.0
109.02959	11.5
109.04066	3.0
109.07717	1.1
111.04527	1.5
111.05609	1.4
112.04034	2.1
116.01796	1.6
123.05636	2.0
125.03522	2.2
127.05138	4.5
128.03534	54.2
129.03763	1.6
131.04640	2.5
133.04439	1.5
135.04568	2.1
135.05629	4.4
137.02493	2.2
141.06671	4.8
143.04608	79.4
145.06189	4.8
146.04585	7.2
152.01178	2.7
153.01974	1.4
153.06700	5.7
159.61716	1.1
160.00711	16.0
165.01939	9.6
166.09831	3.2
167.04613	4.6
167.08270	1.9
170.03369	1.2
171.07721	1.3
177.02046	1.3
177.03310	5.4
179.03242	1.4
179.04626	17.1
181.06100	2.9
184.10854	1.6
185.05673	2.7
189.55330	1.2
191.05583	11.3
192.05952	2.2
197.05746	2.7
201.31754	1.2
210.08832	11.5
254.07758	17.3
272.08878	27.1
274.04843	1.4
275.05682	5.4
288.06488	6.9
296.08890	1.1
299.07632	3.2
304.94006	1.2
306.07620	100.0
307.08005	5.4
317.06558	1.4
332.09122	3.0
345.33914	1.1
351.07019	1.6
376.07245	8.8
403.59818	1.3
411.40399	1.1
436.04941	1.9
436.14014	6.3
436.19199	2.1
437.10620	3.7
437.16168	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	436.1246
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02999	1.0
69.49210	4.7
69.49612	1.4
74.02471	1.8
76.69126	0.8
76.69610	0.7
93.03486	0.9
93.07344	0.8
99.05648	2.0
101.07212	0.8
103.91979	1.0
108.02166	69.4
109.02976	11.0
112.80728	0.8
121.02901	0.9
123.04539	1.2
128.03558	4.3
133.02930	1.6
135.04498	1.0
143.04613	6.1
146.04523	0.8
151.04008	1.2
152.01138	55.5
153.01942	15.6
154.02222	1.0
155.61130	0.9
160.00764	0.9
163.03990	1.0
173.04611	1.3
191.05595	4.4
201.77518	0.8
272.08783	1.9
299.07693	100.0
300.08020	7.1
306.07639	7.7
436.10843	1.1
436.19211	1.5
437.10995	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	436.1392
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02974	9.5
58.99596	4.1
59.01371	1.9
64.22852	1.2
66.03480	1.9
67.43053	1.1
71.01376	1.6
72.00908	1.9
74.02472	24.5
75.95692	1.3
81.04576	1.9
82.02972	3.5
82.95407	11.8
83.20488	1.1
83.66013	1.2
86.02480	10.5
87.05643	6.6
90.00188	1.5
96.95989	5.2
97.04066	2.9
99.05632	20.6
100.00364	1.8
101.07201	3.9
102.05600	2.4
107.06141	1.6
107.09699	1.2
108.02161	4.3
109.04075	4.3
112.04038	3.7
122.85771	1.4
123.05610	1.6
125.03551	2.3
127.05131	4.3
128.03534	59.0
135.04616	1.4
135.05627	5.5
137.02422	1.5
137.07245	1.8
141.06668	5.3
143.04617	81.0
144.05005	1.7
145.06143	2.7
146.04584	6.6
152.01111	3.8
153.01880	1.7
153.06665	5.5
155.08189	1.9
160.00700	13.6
166.09814	3.4
167.04585	5.5
167.08270	3.3
167.71651	1.2
170.03273	2.1
177.03416	5.9
179.04591	18.2
181.06163	2.1
184.10938	2.7
185.05653	2.6
191.05623	4.4
192.05946	1.3
192.07680	1.8
197.05632	2.7
198.08629	1.2
210.08829	15.8
228.09871	1.5
242.07692	1.4
249.49913	1.2
254.07802	19.7
272.08838	29.3
288.06519	6.5
299.07791	9.1
306.07626	100.0
307.07825	5.0
318.54303	1.2
332.09006	6.6
436.13940	14.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	436.1069
Annotation	Unknow
Peak:m/z	Relative Intensity
53.12346	0.5
59.01368	3.6
61.98824	9.0
65.03963	1.9
71.01376	0.6
74.99100	1.0
77.32863	0.5
79.95725	0.8
86.02465	0.6
93.03466	0.7
93.58697	0.5
95.05030	1.1
96.96010	3.9
97.01169	5.9
98.01961	13.5
101.97572	0.5
105.18054	0.6
107.05054	0.6
109.01170	0.5
109.02939	6.0
111.02724	1.6
111.04583	0.5
113.90842	0.4
115.16614	0.6
118.61847	0.6
123.02731	1.4
125.00673	1.5
126.98626	2.6
127.02220	2.9
128.03513	1.5
135.04527	0.7
138.03160	0.8
139.04002	2.3
141.00157	7.5
145.89470	0.6
155.01738	5.7
161.02429	1.2
172.01997	4.2
173.04538	0.7
179.03560	0.6
180.83052	0.5
189.01891	1.4
191.05614	1.7
194.74275	0.5
213.15030	0.4
217.01433	0.6
219.84091	0.5
229.14598	0.6
231.09006	0.8
233.06311	1.5
247.06940	0.5
263.07446	100.0
264.07782	7.5
272.12866	2.2
307.92722	0.6
313.10669	0.7
350.10828	1.0
352.61539	0.5
419.11581	0.8
436.16147	1.1
437.08868	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	435.198
Annotation	Unknow
Peak:m/z	Relative Intensity
52.23398	0.3
61.98826	100.0
70.66203	0.7
72.25853	0.2
73.21151	0.2
78.87672	0.3
80.96556	0.3
136.93106	0.3
148.27892	0.2
154.08852	0.2
194.04333	0.2
216.45134	0.2
307.19122	0.4
347.99222	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.259
Annotation	Iriomoteolide 3a
Peak:m/z	Relative Intensity
56.95346	0.8
57.03431	1.3
59.01381	6.9
61.98815	1.2
67.02260	0.9
71.05012	4.7
80.71385	0.8
83.05007	6.3
87.04507	1.5
96.95995	1.8
97.06578	3.6
98.19834	1.8
101.20232	0.8
109.06583	2.2
128.42145	0.9
151.11302	1.9
162.47345	0.7
163.11183	1.2
179.14290	0.9
180.41754	0.8
233.71887	0.8
273.22171	0.8
290.30310	0.9
300.09537	0.8
315.27029	1.9
317.21280	1.0
343.26459	1.8
345.27951	11.6
346.28799	1.0
361.86502	1.0
371.25916	2.0
374.24408	11.6
379.46997	0.8
389.26926	36.2
390.27264	4.4
433.25912	100.0
434.26331	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	435.0562
Annotation	Unknow
Peak:m/z	Relative Intensity
52.28954	1.6
59.01378	12.1
65.00317	1.9
67.01904	2.1
67.18075	1.3
67.46603	1.4
69.82218	8.5
71.01373	4.9
73.02925	1.7
79.01888	2.1
85.02944	2.4
89.02496	1.7
93.03446	6.6
96.95998	17.5
105.03425	1.6
109.02937	5.2
121.02916	3.0
123.00868	1.6
132.03041	2.9
133.02951	4.2
135.04520	6.2
136.04915	2.0
137.02425	2.4
151.00305	1.7
159.04501	4.9
161.02409	9.1
162.02725	2.1
163.00314	2.7
163.04056	1.7
165.01910	6.6
168.40242	1.6
171.04428	3.0
173.02441	3.5
173.04559	12.6
174.03183	3.2
175.03856	2.0
177.01903	1.9
179.03473	6.3
180.03877	2.0
187.03966	5.8
191.05585	30.1
192.05948	4.8
199.03969	2.3
201.01843	2.5
202.02718	6.9
203.03432	5.2
215.03450	5.9
217.01404	2.0
218.02353	1.7
227.03503	1.8
229.01424	3.9
230.02139	6.5
231.02925	7.4
241.01367	2.4
243.02936	5.0
245.00819	7.5
257.00909	9.5
258.01660	12.8
259.02438	46.9
260.02786	4.2
271.02493	12.0
272.02844	2.2
273.00363	4.5
274.01154	7.8
275.01892	4.6
285.00394	4.4
286.01147	3.4
287.01944	100.0
288.02460	14.8
289.03326	8.4
290.00577	6.0
299.01901	11.8
301.03558	3.7
303.01343	2.8
314.00800	4.0
315.01443	49.4
315.05075	3.2
316.01746	5.0
317.02963	36.9
318.03265	3.9
327.01572	3.4
327.14078	1.8
329.03003	4.3
345.02441	24.4
345.14297	2.5
346.03046	3.4
347.04187	2.7
353.08606	1.9
353.58646	3.8
354.08905	2.4
359.04111	1.9
375.03851	1.6
379.06714	2.2
389.04886	1.7
390.05688	1.8
407.06076	14.1
408.06543	2.9
417.04694	6.2
434.20023	1.8
434.60532	3.8
435.05600	93.0
435.18512	6.6
436.05991	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	433.2077
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	0.6
57.03447	0.7
58.00583	0.4
59.01377	100.0
60.01710	0.8
61.98832	0.4
64.81882	0.3
69.76551	1.9
71.01381	10.3
72.99305	0.5
73.02939	2.9
83.01397	1.2
85.02950	3.4
87.00884	1.0
87.04527	0.5
89.02442	7.7
93.03452	1.5
95.01421	0.7
96.96045	0.5
97.02938	0.3
99.00909	0.7
101.02443	7.4
102.05620	0.5
109.02972	0.5
111.04518	0.3
113.02451	5.3
119.03483	3.2
119.05025	0.3
123.04556	0.3
125.02448	0.9
128.03587	0.4
131.03510	0.5
133.02969	0.8
135.04489	1.4
143.03545	1.1
145.02832	0.3
149.04576	0.6
159.03032	0.6
159.06627	0.3
161.02475	1.9
161.04538	3.2
162.02896	0.3
173.04517	1.4
179.03571	1.0
179.05559	1.7
191.05608	3.9
254.77768	0.3
271.06229	0.9
271.19318	0.7
289.07355	0.4
331.17654	0.5
339.05444	0.4
345.19278	0.3
347.20441	2.0
352.08130	0.8
373.18604	1.4
433.19449	0.8
433.24484	6.2
434.24881	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2075
Annotation	Unknow
Peak:m/z	Relative Intensity
50.96062	0.3
59.01376	100.0
59.43628	0.3
60.01692	0.7
69.40346	0.3
69.61689	1.0
69.62118	1.0
71.01385	0.9
73.02950	0.4
79.95737	0.3
81.36337	0.3
85.02968	0.7
93.03467	0.5
96.96016	3.0
98.19938	0.4
101.02439	0.6
102.49908	0.3
113.02462	0.6
135.04521	0.4
161.02441	0.6
165.01895	0.4
191.05634	1.8
197.11829	0.9
229.89958	0.3
231.06909	3.5
231.57176	1.1
239.06754	0.8
239.56960	0.9
257.40018	0.3
271.06094	0.6
290.24448	0.3
331.17679	0.7
365.17841	1.4
433.11383	1.0
433.19034	0.8
457.76709	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2075
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	100.0
60.01711	0.8
61.38005	0.3
69.25374	2.8
71.01390	0.3
73.83849	0.3
76.31105	0.3
79.95732	0.8
80.59771	0.3
83.22794	0.3
84.74696	0.4
96.96001	2.2
98.20637	0.6
149.68242	0.4
191.05577	0.6
197.11874	0.8
231.06950	2.0
239.06688	4.0
239.56845	4.2
240.06633	2.1
240.56773	0.5
261.10089	0.3
330.88403	0.3
359.04050	0.4
365.18304	0.4
433.20493	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2075
Annotation	Unknow
Peak:m/z	Relative Intensity
51.34500	0.3
59.01376	100.0
60.01714	0.9
64.88433	0.3
71.01369	0.9
71.38657	0.6
73.02959	0.5
81.93987	0.3
85.02927	0.8
89.02454	0.7
93.03432	0.5
96.96027	0.5
97.77607	0.3
101.02496	0.5
109.02984	0.5
113.02477	0.5
124.03981	0.3
130.19281	0.3
133.02948	0.5
135.04512	0.6
161.02428	1.5
161.04553	0.5
173.04488	0.5
179.03542	0.6
191.05602	5.0
202.23773	0.3
203.98663	0.3
239.06784	0.8
339.05173	1.0
343.59836	0.4
375.89349	0.3
415.03802	0.3
433.18005	0.5
433.25049	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2077
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	100.0
60.01703	0.7
69.76353	1.5
71.01385	2.6
73.02946	0.9
85.02952	1.5
89.02450	1.2
93.03457	1.0
96.95993	1.2
101.02457	1.3
113.02445	1.3
119.02721	0.3
119.03514	0.6
135.04536	0.5
151.00476	0.4
161.02458	0.9
161.04590	1.2
170.79050	0.3
173.04506	0.8
176.79236	0.3
179.03468	0.5
184.88200	0.3
191.05589	3.8
192.05962	0.5
216.95953	0.3
225.50198	0.3
239.06750	1.7
239.56934	0.8
240.06575	0.4
253.05237	0.5
267.07144	0.4
271.02518	0.9
271.06161	1.6
295.05988	0.4
300.02835	0.9
301.03510	1.0
313.16782	0.3
331.17712	1.2
339.05096	0.5
373.18524	1.6
433.19168	0.6
433.24506	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2076
Annotation	Unknow
Peak:m/z	Relative Intensity
51.83969	0.2
57.03450	0.3
59.01376	100.0
60.01703	0.8
61.98827	2.1
69.33824	1.3
69.34251	0.4
71.01387	0.9
73.02957	0.2
83.01379	0.2
83.95486	0.2
85.02978	0.6
89.02428	0.4
93.03464	0.8
96.96039	0.5
98.19781	0.3
101.02443	0.7
107.82204	0.2
113.02433	0.3
118.84653	0.2
125.02460	1.4
133.02988	0.3
135.04547	0.5
137.02448	0.2
146.72269	0.2
161.02420	1.2
161.04556	0.5
173.03302	0.2
173.04474	1.0
176.04034	0.2
179.03462	0.3
182.11449	0.2
191.05569	4.0
197.11916	0.5
207.45860	0.2
215.10869	0.3
243.06552	0.4
253.05157	0.7
259.09750	0.2
271.06168	0.3
331.17816	0.6
352.08060	0.3
373.67813	0.2
389.18079	0.2
433.11444	0.7
433.20026	0.9
433.28391	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1346
Annotation	Rhyncoside A
Peak:m/z	Relative Intensity
56.72723	0.2
59.01377	2.3
69.03441	0.2
70.94827	0.5
71.01369	2.7
73.02933	0.3
78.95880	0.3
79.95740	0.2
85.02934	0.4
89.02437	3.8
93.03447	7.6
96.96018	0.5
96.96928	0.4
97.02934	0.2
99.00882	0.8
101.02446	0.5
113.02470	0.3
115.04048	0.3
121.02944	8.6
122.03288	0.3
124.01669	0.5
125.02444	2.9
131.03479	0.5
133.02985	0.3
137.02434	0.5
139.04001	100.0
140.04327	3.6
140.05339	0.3
149.04510	1.3
165.01913	0.9
173.04465	0.3
191.05559	1.3
206.45436	0.2
215.05615	0.3
233.06699	2.0
293.05505	0.4
293.08759	5.7
294.09201	0.3
297.07162	0.2
297.26221	0.2
318.90579	0.2
425.35257	0.2
433.13446	4.8
433.19070	4.2
434.13666	0.7
434.19308	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1822
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	1.7
61.98826	100.0
70.51311	0.6
84.08242	0.3
91.59924	0.3
96.96008	0.7
117.03476	1.1
119.05022	1.7
134.09889	0.3
145.02942	6.8
145.04073	0.4
146.03296	0.4
163.03978	1.3
191.05600	0.3
222.14359	0.3
224.21751	0.2
229.12540	0.3
234.56602	0.3
252.33038	0.3
287.22360	0.4
333.24261	0.3
374.36444	0.3
391.48190	0.2
408.89734	0.3
433.25565	2.7
434.26480	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1896
Annotation	Unknow
Peak:m/z	Relative Intensity
56.76730	0.2
66.76408	0.2
69.45820	0.2
70.15594	0.7
79.95735	2.7
80.96511	0.3
93.12177	0.2
95.95228	0.6
109.96815	0.2
131.81197	0.2
133.47943	0.2
141.95784	0.2
191.05612	0.4
385.16974	0.4
397.16800	0.6
415.17926	4.1
416.18433	0.5
433.18958	100.0
434.19266	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	433.1135
Annotation	Unknow
Peak:m/z	Relative Intensity
51.05812	0.8
57.03444	1.3
59.01378	10.2
61.66409	0.8
63.02393	3.1
65.00320	7.1
66.02757	0.7
67.01876	0.9
70.75790	2.2
71.01384	5.5
73.02934	2.2
75.00858	1.4
81.03437	0.9
83.01371	4.8
84.49717	0.8
85.02946	7.1
87.00869	2.1
88.04050	2.2
89.02472	2.0
93.03445	8.6
95.01366	1.5
96.95995	2.4
97.02988	1.2
99.00892	1.5
101.02443	2.6
107.01381	13.0
108.02186	2.6
109.02940	9.4
111.04499	1.6
113.02453	4.3
117.03439	1.7
119.03667	1.1
119.05022	29.8
120.05376	1.1
121.02966	2.9
123.04530	0.9
125.02444	7.8
132.02188	1.8
133.02954	28.2
135.03494	0.9
135.04506	14.8
137.02457	1.9
137.08443	0.9
143.04990	1.7
145.02946	3.1
149.02405	2.2
151.00354	46.5
152.00702	1.7
155.03557	1.0
161.02432	100.0
162.02780	4.7
163.00348	1.4
164.01204	1.1
165.01904	5.6
167.03410	0.9
169.01454	2.1
173.04521	5.6
177.01944	4.5
177.05594	0.9
179.03474	8.5
183.10280	1.4
185.06053	2.8
187.03998	2.0
191.03673	1.3
191.05588	22.1
192.05913	1.3
193.01364	7.3
199.09975	0.9
200.16585	0.8
203.03455	0.8
207.02934	1.1
221.04468	1.2
227.07130	2.2
249.06050	1.5
265.05161	1.3
267.06830	1.3
269.08160	1.0
271.06094	77.1
272.06467	5.5
283.06104	1.7
295.06161	1.4
313.07224	25.7
314.07623	1.5
323.07715	5.3
339.05032	4.5
340.05435	1.0
343.08347	6.3
352.07901	1.0
353.08868	2.3
362.19781	1.7
415.09982	1.0
433.11417	75.9
433.17548	6.8
433.24268	1.9
434.11621	7.6
434.21783	2.6
453.14923	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1135
Annotation	Unknow
Peak:m/z	Relative Intensity
51.05812	0.8
57.03444	1.3
59.01378	10.2
61.66409	0.8
63.02393	3.1
65.00320	7.1
66.02757	0.7
67.01876	0.9
70.75790	2.2
71.01384	5.5
73.02934	2.2
75.00858	1.4
81.03437	0.9
83.01371	4.8
84.49717	0.8
85.02946	7.1
87.00869	2.1
88.04050	2.2
89.02472	2.0
93.03445	8.6
95.01366	1.5
96.95995	2.4
97.02988	1.2
99.00892	1.5
101.02443	2.6
107.01381	13.0
108.02186	2.6
109.02940	9.4
111.04499	1.6
113.02453	4.3
117.03439	1.7
119.03667	1.1
119.05022	29.8
120.05376	1.1
121.02966	2.9
123.04530	0.9
125.02444	7.8
132.02188	1.8
133.02954	28.2
135.03494	0.9
135.04506	14.8
137.02457	1.9
137.08443	0.9
143.04990	1.7
145.02946	3.1
149.02405	2.2
151.00354	46.5
152.00702	1.7
155.03557	1.0
161.02432	100.0
162.02780	4.7
163.00348	1.4
164.01204	1.1
165.01904	5.6
167.03410	0.9
169.01454	2.1
173.04521	5.6
177.01944	4.5
177.05594	0.9
179.03474	8.5
183.10280	1.4
185.06053	2.8
187.03998	2.0
191.03673	1.3
191.05588	22.1
192.05913	1.3
193.01364	7.3
199.09975	0.9
200.16585	0.8
203.03455	0.8
207.02934	1.1
221.04468	1.2
227.07130	2.2
249.06050	1.5
265.05161	1.3
267.06830	1.3
269.08160	1.0
271.06094	77.1
272.06467	5.5
283.06104	1.7
295.06161	1.4
313.07224	25.7
314.07623	1.5
323.07715	5.3
339.05032	4.5
340.05435	1.0
343.08347	6.3
352.07901	1.0
353.08868	2.3
362.19781	1.7
415.09982	1.0
433.11417	75.9
433.17548	6.8
433.24268	1.9
434.11621	7.6
434.21783	2.6
453.14923	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	432.26
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	9.5
61.98825	100.0
62.69280	1.4
69.29626	13.0
78.95869	1.4
84.18661	1.2
85.10560	1.7
92.45652	1.4
98.19928	3.1
117.03452	5.8
118.03772	3.9
119.05008	11.2
120.05355	3.3
145.02940	37.4
145.04105	1.8
146.03285	18.5
152.99632	1.5
163.04015	6.6
163.11278	2.4
164.04442	3.4
195.18123	1.5
285.20566	1.6
286.21127	3.2
338.22000	9.6
339.22705	1.4
432.24582	18.5
433.25110	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	433.1136
Annotation	Naringenin 4'-O-glucoside
Peak:m/z	Relative Intensity
59.01377	44.4
61.98838	0.9
63.02384	1.1
63.47909	0.5
65.00327	2.0
65.03976	0.8
69.32129	1.4
69.32539	3.3
71.01390	1.6
79.95744	1.9
81.03454	1.1
81.34586	0.5
83.01379	2.7
85.02960	0.6
88.29362	0.5
89.02473	0.6
92.68865	0.6
93.03452	6.6
95.01407	1.5
95.95255	0.9
96.96004	15.4
97.02959	0.6
101.02474	1.2
107.01397	2.5
108.02235	0.6
109.02957	3.6
113.02499	0.6
115.05554	0.8
121.02952	3.2
124.01630	0.9
125.02444	4.7
133.02950	0.6
135.00769	0.6
137.02446	8.4
141.07132	1.4
143.04999	0.9
146.60605	0.5
148.01703	0.6
149.02473	0.9
151.00354	5.1
152.01114	1.2
153.01950	0.6
153.07141	0.8
157.06606	1.2
161.02408	1.4
165.01927	100.0
166.02225	2.6
173.06091	0.7
177.01936	0.8
178.99866	1.1
179.03586	0.6
180.05824	0.9
181.06618	1.5
183.04442	1.1
183.08141	1.4
185.06073	1.2
191.05605	1.8
197.06100	6.7
197.11790	2.1
199.07646	2.0
207.02953	0.6
208.05321	1.1
209.06049	1.3
212.03009	0.6
213.05553	1.3
215.07210	0.7
225.05531	8.9
226.05867	0.7
227.07208	2.9
228.07549	0.8
231.06949	21.0
231.57137	6.3
232.06863	2.2
239.06705	7.4
239.56842	6.3
240.06740	2.3
241.05035	3.9
242.05457	0.6
243.06621	8.6
252.04054	0.5
253.05045	10.6
254.05423	0.8
263.27036	0.5
265.05280	0.6
271.06097	44.6
272.06439	3.4
313.07281	1.9
365.17871	6.8
366.18103	1.6
433.11362	92.6
434.11655	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	431.2798
Annotation	Plakortolide M
Peak:m/z	Relative Intensity
52.47103	0.5
59.01383	2.5
61.98830	3.7
69.65302	1.8
69.65730	1.2
70.39577	0.4
71.01352	0.7
71.05030	0.7
72.02174	0.6
73.02932	0.9
78.95921	0.4
79.95737	0.4
85.06602	0.5
90.63797	0.5
92.95675	0.4
96.80136	0.4
96.96006	25.9
96.96957	1.1
98.19970	0.7
117.03436	1.1
119.05000	1.9
134.20929	0.5
145.02943	6.1
147.32422	0.4
163.04021	1.2
276.65427	0.4
325.21716	1.1
339.26971	0.8
341.24905	2.4
353.24698	0.6
355.22656	1.2
357.28021	1.0
369.24084	0.9
369.28058	1.3
371.26028	2.9
385.27460	0.8
387.29010	21.6
388.29486	2.5
392.46051	0.5
401.26978	0.8
413.26935	2.8
431.28012	100.0
432.28448	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	432.1355
Annotation	Unknow
Peak:m/z	Relative Intensity
50.32471	0.1
50.60550	0.1
51.60696	0.2
53.76774	0.1
59.01382	0.2
60.49696	0.1
61.98827	100.0
62.98528	0.2
64.60111	0.2
69.57229	0.9
69.57636	0.3
78.45343	0.1
84.87264	0.1
89.02480	0.3
98.20594	0.3
99.00896	0.2
112.98590	0.1
116.14040	0.1
124.26138	0.1
137.02451	0.3
178.04066	0.1
191.05682	0.2
193.05045	0.2
430.75574	0.1
433.18781	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	432.2599
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51283	2.6
51.94277	3.0
59.01381	17.3
61.98826	100.0
65.13437	3.1
67.81172	2.8
71.32805	4.1
81.20689	3.4
85.29148	3.0
94.39681	2.8
96.39892	2.7
96.96011	86.3
98.95580	6.5
106.07685	2.8
117.03461	10.7
118.03804	3.6
119.04995	17.3
120.05367	6.4
120.89694	3.5
132.77890	2.8
145.02950	63.3
146.03284	34.8
150.16605	3.0
163.03993	11.6
164.04303	5.9
168.60818	2.7
187.12477	3.5
285.06802	3.6
286.20834	3.7
315.37152	3.3
432.24649	30.1
433.25198	4.1
446.43973	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	431.2433
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	1.9
61.98831	0.6
62.50833	0.3
70.88744	0.6
81.53912	0.2
93.03446	0.3
96.95992	0.4
97.21209	0.2
117.03455	18.0
118.03783	0.7
119.05014	26.4
120.05355	1.1
121.02956	1.7
121.13614	0.3
123.04459	0.4
133.02914	0.4
134.03818	0.3
145.02936	100.0
146.03285	3.8
163.03993	19.7
164.04359	0.6
168.38686	0.3
169.09558	0.3
225.60141	0.2
245.41811	0.3
267.19656	1.5
271.22745	0.4
285.20685	8.1
286.20963	0.6
353.24753	0.5
360.01935	0.3
369.27844	1.0
394.46021	0.3
413.22867	0.5
431.24124	34.6
432.24496	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	431.2195
Annotation	PA(18:3(6Z,9Z,12Z)/0:0)
Peak:m/z	Relative Intensity
59.01377	5.1
61.98826	2.1
71.62483	1.1
75.31846	1.0
78.95896	71.3
96.96023	1.2
96.96947	4.6
137.02455	1.0
150.97954	1.5
152.99571	100.0
153.99944	1.5
171.00583	2.6
176.28963	1.1
230.34610	1.0
277.21494	1.4
337.39066	1.0
431.21939	13.8
432.22238	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.2434
Annotation	Rastevione
Peak:m/z	Relative Intensity
59.01380	1.3
59.39616	0.2
61.98824	0.8
63.73543	0.2
64.68893	0.2
70.65342	0.5
70.65705	0.5
78.95859	0.3
85.02962	0.5
93.03472	0.3
96.96004	0.4
109.85352	0.2
117.03457	16.4
118.03768	0.6
119.05017	27.4
120.05370	0.9
121.02993	1.4
133.02928	0.7
141.43008	0.2
145.02940	100.0
146.03276	4.4
163.03996	20.5
164.04268	1.1
171.76045	0.3
189.71452	0.2
191.01859	0.4
265.36057	0.2
267.19589	2.2
275.36734	0.2
285.20697	8.9
286.21173	0.3
413.22836	0.5
431.24323	32.8
432.24667	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.1745
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	0.7
59.01378	17.4
63.78619	0.6
69.03449	3.5
69.26315	2.1
69.26733	4.2
71.01370	2.2
73.02968	1.4
77.15658	0.6
78.95903	0.6
79.01878	4.0
79.95746	3.8
85.02950	2.7
87.00900	0.7
89.02472	1.4
92.03153	0.6
93.03474	2.9
95.95226	0.8
96.96008	16.7
97.02943	1.9
98.20586	1.3
101.02438	1.5
107.01390	11.3
109.02943	0.9
111.04517	0.8
113.02467	0.7
120.39000	0.6
121.02918	1.1
122.03769	0.9
123.00864	1.2
123.04498	1.1
125.02436	7.8
133.02917	0.7
133.80347	0.6
135.00882	6.1
136.01697	1.5
137.02486	1.6
149.02415	1.1
151.00378	7.9
151.04019	2.0
160.97922	0.7
161.02440	2.3
163.04068	0.9
166.02707	60.5
167.03494	17.2
173.04514	2.7
174.21254	0.6
177.01942	2.3
179.03586	0.7
191.03850	0.6
191.05605	11.9
192.05913	1.5
193.06078	1.3
209.04550	2.3
213.09248	1.1
231.10246	2.6
239.44409	0.7
257.08264	6.9
337.03662	0.8
371.09793	29.6
372.10095	1.8
395.19620	0.7
413.16312	1.2
431.17404	100.0
432.12555	0.5
432.17728	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	431.1738
Annotation	Unknow
Peak:m/z	Relative Intensity
51.93839	0.3
58.00584	0.6
59.01378	9.2
68.70157	0.3
69.79108	1.4
71.01369	1.2
73.02932	0.5
79.95748	2.4
80.96508	0.7
85.02946	1.0
87.00875	0.6
89.02435	0.4
93.03451	1.2
95.95192	0.7
96.96003	16.4
97.06580	0.4
101.02428	0.7
109.02943	0.4
111.04482	0.5
113.02442	0.4
119.04981	0.9
123.04533	0.4
125.06229	0.3
137.02364	0.4
145.02980	0.3
161.02483	0.5
163.43036	0.4
173.04517	1.0
191.05588	4.9
213.09169	0.7
227.03484	2.3
227.07079	0.4
229.04929	0.4
231.03140	0.4
231.06924	7.4
231.10329	0.6
231.57121	1.6
232.06885	1.2
239.06694	8.8
255.02988	2.8
256.03400	0.4
257.08145	1.3
265.67584	0.4
268.03671	0.8
282.37085	0.3
284.03253	2.7
285.04056	4.5
285.18683	0.6
303.19632	0.9
365.17917	3.3
366.13550	0.3
366.18307	0.7
383.19086	0.5
395.07684	1.0
431.17395	100.0
432.17731	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	431.1345
Annotation	2-(3,4,5-Trimethoxyphenyl)-5,6,7,8-tetramethoxy-4H-1-benzopyran-4-one
Peak:m/z	Relative Intensity
56.80618	0.2
57.03442	0.4
59.01376	3.7
59.75850	0.2
60.99290	0.6
67.01891	1.4
68.47255	0.2
69.03452	0.4
69.88485	1.1
71.01389	1.5
73.02940	0.5
81.03445	0.5
83.05011	0.5
85.02946	11.0
87.00871	4.3
88.98833	0.3
93.03452	10.9
94.03810	0.3
96.96008	1.3
99.00874	0.4
99.04514	0.8
100.12071	0.2
101.02415	0.5
109.02966	1.1
111.04529	2.3
112.04895	0.2
113.02417	0.3
119.25204	0.2
123.04468	0.2
125.02457	0.9
127.04003	2.6
137.02449	0.4
143.03462	0.2
150.73958	0.2
155.03488	0.4
171.02992	0.6
173.04544	4.7
187.04065	0.4
191.05594	100.0
192.05914	3.3
197.06027	0.8
213.07111	0.4
213.09177	8.5
214.09489	0.4
231.10176	0.3
239.06551	0.6
241.05106	0.3
243.80658	0.2
257.08170	26.1
258.08463	1.7
431.13397	18.9
432.13644	2.0
432.18951	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.1555
Annotation	Osmanthuside H
Peak:m/z	Relative Intensity
57.03429	1.6
58.00579	2.4
59.01377	59.4
59.35675	1.0
70.36253	3.7
71.01379	40.0
72.99290	3.5
73.02608	1.1
73.02946	15.1
83.01401	1.7
85.02959	6.7
87.00840	1.8
87.54819	1.0
89.02441	69.1
93.03432	5.8
95.01341	1.7
97.02950	1.4
99.00880	26.5
101.02442	24.7
109.02914	2.2
113.02444	10.4
119.03511	8.2
119.05009	19.7
123.04509	2.1
125.02441	12.2
131.03500	9.7
137.02434	16.6
137.06010	1.3
143.03360	1.4
149.04552	22.4
151.03983	2.8
158.79335	1.1
161.02441	1.3
161.04457	1.9
163.00368	1.6
164.01001	1.0
179.05583	1.5
191.05580	8.4
215.50648	1.0
251.07710	1.1
283.05609	1.1
285.03967	2.9
289.07214	5.1
299.11362	6.0
301.67072	1.2
411.07126	1.7
431.15555	100.0
432.15860	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	431.1192
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	2.0
57.03434	1.8
59.01381	9.6
61.98811	1.7
65.69164	0.9
69.03449	3.5
69.30672	5.0
69.31096	2.8
71.01385	9.7
71.63922	0.9
72.99310	3.2
73.02934	2.7
75.00869	82.5
76.01173	0.8
79.95731	5.0
83.01393	2.0
85.02921	4.5
87.00870	12.3
89.02448	3.8
93.03457	15.1
95.01385	1.4
96.96006	81.6
97.02948	5.6
98.95607	1.1
99.00861	5.3
101.02419	1.9
108.92590	1.0
109.02962	2.5
111.00889	0.9
113.02436	2.9
121.02950	100.0
122.03323	2.6
123.04491	1.7
125.02418	8.9
129.01950	1.1
135.04431	1.2
137.02431	24.6
140.29118	0.8
141.01964	4.1
149.99527	0.8
151.04021	4.4
161.02402	2.4
163.00380	1.6
163.04008	4.1
165.45955	0.9
173.04550	2.1
175.03943	1.4
191.05577	5.3
195.04991	1.2
203.05591	2.7
203.07272	1.0
211.74692	0.9
245.08093	1.3
261.16769	0.8
273.06198	4.8
285.04019	1.4
289.07172	3.0
291.07257	12.8
309.08261	14.6
310.08829	1.1
378.56744	0.9
395.09857	5.2
399.12012	1.4
413.10709	3.0
413.16061	1.0
431.11832	80.4
431.17407	96.3
432.12198	10.4
432.17776	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	431.1187
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	1.1
59.01381	0.6
63.72969	0.2
64.82864	0.2
67.40914	0.2
69.28017	0.2
70.87245	0.2
71.61924	0.3
72.99316	0.4
81.03458	0.4
81.39518	0.2
83.01385	0.3
85.02962	0.2
88.98806	0.2
89.02434	0.2
89.19316	0.2
91.32043	0.2
93.03448	1.1
96.96008	0.4
103.61932	0.2
108.02184	1.1
109.02963	1.8
121.02972	0.5
122.03719	0.3
123.04523	1.3
125.02444	6.4
126.02785	0.4
135.04599	0.2
136.01675	2.3
137.02437	100.0
138.02785	3.2
147.00848	0.3
149.02457	0.7
151.04005	1.6
158.90402	0.2
161.02415	1.0
161.06047	0.3
163.00383	1.6
164.01057	0.4
165.01913	0.6
174.03198	0.3
175.04024	0.7
177.02017	0.4
179.03499	0.3
185.06055	0.2
191.05658	0.6
199.04079	0.4
201.01886	0.2
203.07123	0.4
205.04970	0.3
212.15881	0.2
213.41934	0.2
217.05060	0.3
243.02937	0.4
245.08208	0.9
285.03995	2.4
286.04468	0.4
289.07184	3.4
290.07507	0.5
381.43469	0.2
411.07150	1.2
412.07767	0.4
431.11911	20.4
431.17001	1.2
432.12347	2.3
451.09821	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	430.2441
Annotation	Unknow
Peak:m/z	Relative Intensity
51.64054	1.6
56.91836	1.9
57.75525	1.9
59.01368	9.9
59.37754	1.7
61.16145	1.6
61.98829	100.0
68.31171	1.5
71.30981	2.4
83.66167	1.9
96.96001	2.6
119.04997	2.1
145.02962	3.3
163.03932	1.8
192.45918	1.8
195.46074	1.8
221.18115	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2853
Annotation	Unknow
Peak:m/z	Relative Intensity
50.74764	0.4
52.87739	0.3
53.47645	0.3
59.01375	100.0
60.01705	0.8
61.98825	1.2
69.10898	0.4
69.48573	2.9
89.88702	0.4
91.04007	2.5
96.96021	1.1
127.90035	0.3
183.27745	0.5
195.13916	1.3
228.69116	0.4
277.21741	1.4
295.22748	12.6
296.23087	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2853
Annotation	Unknow
Peak:m/z	Relative Intensity
51.56976	0.5
59.01376	100.0
60.01707	0.6
60.05698	0.4
61.98837	0.6
70.94134	0.6
70.94482	1.0
73.24252	0.5
73.29475	0.4
73.50803	0.5
76.60842	0.4
84.74540	0.4
89.02445	0.4
91.04012	2.0
94.92536	0.4
96.96022	1.6
111.65234	0.5
140.78928	0.5
195.13931	0.6
277.21503	0.9
295.22742	12.2
295.43817	0.5
296.23151	0.7
306.89795	0.5
380.04453	0.6
429.30112	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	430.0989
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81484	0.6
57.03450	0.8
58.86452	0.5
59.01374	13.4
60.01712	0.8
61.98829	10.1
65.89819	0.6
71.01376	2.9
71.62251	1.1
72.99323	0.7
73.02923	0.9
79.95726	2.3
80.96460	1.0
85.02950	6.5
87.00859	2.2
89.02431	1.7
93.03457	6.1
96.96014	6.2
101.02454	3.2
109.02952	1.5
111.04483	1.7
113.02451	1.2
119.03558	0.7
122.48082	0.6
123.04509	1.0
125.02431	3.6
127.03976	1.2
129.02005	0.6
133.02954	0.8
133.70564	0.6
134.03734	1.4
135.02991	0.6
135.04514	1.4
137.02422	2.2
145.02690	1.2
151.03966	1.3
161.02444	0.8
161.04584	1.0
165.01889	0.6
173.04553	3.6
189.01659	0.6
191.05594	100.0
192.06006	3.5
193.05002	1.0
200.50137	0.6
232.07332	0.6
247.06404	1.1
257.08478	1.2
285.03922	0.7
289.07199	1.0
352.78503	0.6
367.10333	10.9
368.10519	1.0
369.23013	1.4
370.23215	2.8
430.16083	1.5
431.17410	21.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2126
Annotation	Unknow
Peak:m/z	Relative Intensity
51.19365	0.4
52.42211	0.5
52.89975	0.4
53.74786	0.4
55.01876	1.2
57.03440	2.4
58.00595	1.2
59.01378	100.0
60.01727	1.1
66.53427	0.5
71.01379	26.0
71.61636	0.5
72.23578	0.5
72.99306	1.2
73.02949	8.1
79.95743	2.0
83.01373	3.6
85.02952	10.8
87.00896	3.1
89.02441	13.3
93.03458	1.1
95.01405	1.9
96.96011	10.3
97.02977	0.6
99.00896	2.0
101.02443	17.3
109.03008	0.7
111.04527	0.7
113.02440	12.2
115.03999	0.7
119.03498	6.2
124.00746	1.4
125.02464	1.0
131.03493	0.8
135.04547	1.1
137.02422	0.7
137.09755	1.5
143.03514	2.2
149.04514	0.6
151.07649	0.6
152.08418	0.7
159.03090	0.7
161.02481	1.3
161.04561	2.5
167.19044	0.5
173.04584	1.5
179.05716	1.0
179.68333	0.5
191.05598	6.8
195.13908	1.1
197.15479	1.6
207.13934	2.0
211.07707	0.5
225.14946	9.3
225.17024	0.6
226.15298	1.1
239.06766	1.9
255.06721	0.9
311.13565	0.6
369.19141	33.4
370.19559	2.8
387.20218	44.0
388.20578	4.8
411.14621	0.6
429.15860	14.8
429.21091	14.8
430.16174	1.3
430.21365	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2127
Annotation	Unknow
Peak:m/z	Relative Intensity
52.18426	0.7
53.49715	0.7
53.82469	0.8
57.03440	3.9
59.01375	100.0
60.01709	1.3
61.98829	1.2
65.36851	0.7
67.01891	1.0
69.03457	0.9
71.01383	8.7
71.05021	2.8
72.86554	0.8
72.99307	1.0
73.02934	4.1
78.95896	5.0
79.95742	3.1
81.03456	1.3
83.01383	2.4
83.05019	1.6
84.32735	0.8
85.02944	5.3
85.06594	2.1
87.00888	2.4
87.04509	1.1
88.98835	1.8
89.02441	3.9
93.03457	3.3
95.01398	0.9
96.96004	94.0
97.06584	12.0
98.95612	2.3
99.04507	3.3
100.00439	1.1
101.02450	6.6
108.02180	0.9
109.02942	1.5
109.06595	1.2
113.02441	5.5
119.03464	1.0
119.05042	3.2
121.06576	1.2
123.04411	1.0
123.08153	19.3
125.02428	1.2
131.25847	0.7
135.04544	2.2
136.05222	0.9
137.02487	0.9
137.09708	3.0
138.10071	1.0
142.06593	1.2
145.02945	2.4
151.04100	1.0
151.11217	1.5
152.08392	1.0
152.97025	0.8
152.99573	5.7
153.09232	2.3
161.02461	2.7
161.04539	2.5
163.11264	6.1
173.04565	2.9
179.14371	1.5
181.12306	1.4
189.12814	5.2
191.05585	12.0
195.13911	2.8
197.15463	1.3
203.05615	1.1
205.12337	5.4
207.13881	65.6
208.14217	4.8
211.07610	1.2
223.13373	1.5
225.14934	77.7
226.15298	4.7
255.06606	2.7
267.12216	1.3
331.32230	0.8
349.24274	0.9
387.20490	2.3
429.07449	5.4
429.19656	85.2
430.20172	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	429.1946
Annotation	Ptilosteroid C
Peak:m/z	Relative Intensity
51.42904	0.2
51.46876	0.2
59.01374	3.5
61.98787	0.3
69.60847	1.6
71.01371	0.7
71.25660	0.2
72.99289	0.3
73.02932	0.4
79.95744	1.7
85.02940	0.5
89.02433	0.5
96.96004	100.0
97.95954	0.3
101.02454	0.4
105.67555	0.3
111.02148	0.2
118.76200	0.3
128.14467	0.2
155.03642	0.3
161.02460	0.3
181.12325	0.2
191.05545	1.4
193.46066	0.2
225.05600	0.3
429.19467	89.5
430.19751	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	429.1761
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	1.3
55.56156	0.7
57.03434	3.0
57.36787	0.9
58.00600	0.9
59.01381	33.0
61.98819	1.6
67.01886	1.3
68.99812	1.9
69.03445	2.0
69.26830	2.8
69.27258	5.2
71.00989	1.5
71.01379	20.8
72.99300	12.0
73.02949	2.3
75.00870	24.9
81.07112	0.9
83.01398	1.4
85.02948	25.3
87.00870	11.2
89.02440	5.2
93.03453	1.6
95.01395	5.3
96.96004	2.1
97.02977	1.0
98.19743	0.8
99.00868	12.5
101.02454	1.3
103.00352	3.5
109.02960	1.8
111.00891	1.0
111.04533	0.9
113.02438	30.8
115.00338	2.0
117.01940	4.1
129.01917	1.5
135.03003	4.5
135.11765	1.5
175.02460	2.9
177.62619	0.9
179.10760	64.7
180.11073	3.0
189.04095	0.9
191.05617	1.3
205.07114	1.1
231.05087	6.0
249.06126	44.0
250.06551	1.5
267.07175	12.9
411.16431	2.8
429.17572	100.0
430.17935	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	429.1945
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	0.4
61.54352	0.2
70.16316	0.3
70.16659	0.5
75.48887	0.2
81.26467	0.1
85.02948	0.3
98.19912	0.2
99.00849	0.3
99.92581	5.3
99.93245	0.3
100.92680	0.1
100.93353	4.3
109.77020	0.2
113.54939	0.1
113.92601	0.2
115.92071	100.0
116.92078	4.7
116.92859	5.7
117.92854	0.2
132.92352	1.1
133.34889	0.2
142.94402	0.3
149.92342	0.2
154.32750	0.2
155.95206	0.3
160.37141	0.1
162.72733	0.1
172.95454	4.6
173.95564	0.3
219.46933	0.1
229.96240	0.2
255.23264	0.9
306.60776	0.2
323.25772	0.2
355.15750	0.6
371.15482	0.2
381.17319	0.9
411.18369	0.4
429.19440	4.7
430.19708	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.1586
Annotation	Unknow
Peak:m/z	Relative Intensity
52.95948	0.4
58.89285	0.4
59.01378	36.2
60.01702	0.4
61.98816	0.5
68.35424	0.4
71.01376	2.7
73.02934	0.8
75.47301	0.4
78.95914	0.4
79.95737	1.3
85.02946	1.0
87.00853	0.5
89.02452	1.6
93.03444	0.7
95.95228	3.4
96.96005	96.8
98.20629	1.4
101.02422	2.4
108.02132	0.6
109.02966	0.5
113.02455	0.8
119.03501	0.6
119.05034	1.5
123.33758	0.4
128.03523	0.4
133.02911	0.4
135.04527	0.7
152.01146	0.8
152.99588	0.4
160.58476	0.4
161.04596	0.6
162.02313	0.8
163.04015	1.3
173.04582	0.4
179.03423	0.4
191.05620	3.8
255.06607	0.9
256.96066	0.4
334.42529	0.4
344.18420	0.6
369.19205	0.9
385.16861	55.9
386.17154	5.9
387.20197	1.1
411.15173	0.6
429.15784	100.0
430.16199	11.3
430.22272	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	429.1397
Annotation	Bungeiside C
Peak:m/z	Relative Intensity
52.25374	0.1
58.00584	0.2
59.01374	4.0
61.98824	10.1
63.75637	0.2
69.03448	0.4
70.42030	0.6
70.42377	0.2
71.01374	5.2
72.01703	0.2
72.99278	0.2
73.02950	0.9
75.00879	0.2
81.03445	0.3
83.01379	0.5
85.02941	0.8
85.83767	0.2
87.00883	0.2
88.95907	0.2
89.02434	6.4
91.69501	0.1
92.02663	0.3
93.02850	0.4
93.03447	7.3
94.03783	0.2
95.01386	0.4
97.02954	0.7
99.00881	0.9
101.02431	1.8
103.30592	0.2
108.02164	2.2
113.02444	0.6
115.04012	0.4
119.03490	0.2
120.02135	0.2
125.02437	4.0
125.92432	0.2
131.03494	1.3
135.04514	100.0
136.04840	4.0
143.03494	0.2
149.04504	1.3
149.61629	0.1
151.04077	0.2
155.31128	0.2
161.04523	0.3
175.02451	0.2
191.05597	2.0
197.86200	0.2
233.06612	3.2
235.11935	0.2
236.11986	0.3
237.12315	0.4
255.37529	0.1
293.08743	5.6
294.09277	0.3
298.70981	0.2
358.98074	0.2
367.15909	0.2
368.16708	0.3
369.16574	2.1
370.16919	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.2697
Annotation	Unknow
Peak:m/z	Relative Intensity
53.17006	0.4
59.01377	100.0
60.01699	1.0
61.98833	1.6
78.87647	0.5
88.98802	0.5
96.96009	12.6
97.95962	0.5
113.09750	0.5
118.90030	0.6
171.71764	0.5
190.29823	0.5
250.07632	0.5
266.63641	0.5
282.10986	0.5
293.21225	5.5
294.21558	0.6
327.22055	0.6
337.18039	1.9
445.24432	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.2729
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	23.0
61.98835	28.4
63.61311	4.0
65.06941	5.1
71.61796	7.6
79.95734	5.1
80.96494	4.4
96.96006	100.0
104.05855	3.9
115.92061	4.6
149.17621	3.8
347.46753	4.0
427.27271	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	429.1399
Annotation	Bungeiside C
Peak:m/z	Relative Intensity
52.43504	0.1
52.52187	0.1
59.01376	10.6
61.98820	0.2
62.93155	0.1
69.52585	1.1
71.01376	2.9
73.02928	0.9
79.95716	0.2
83.01402	0.3
85.02934	0.9
87.00898	0.2
89.02435	2.7
91.05557	0.2
93.03455	0.5
95.01344	0.2
96.96011	2.5
97.02945	0.2
99.00867	0.3
101.02454	1.0
107.05006	0.5
109.02953	0.4
113.02437	1.0
113.03135	0.2
117.03490	0.2
119.03516	0.2
123.04546	0.2
125.02436	1.3
131.03458	0.4
134.03732	2.2
135.04517	100.0
136.04837	3.9
136.05896	0.2
137.02438	0.9
143.03511	0.2
149.04539	0.5
161.02502	0.3
161.04500	0.2
163.06091	0.3
165.01895	0.2
173.04527	0.2
191.05566	1.2
192.06003	0.2
225.14859	0.2
233.06615	1.0
293.08798	2.7
309.13226	0.2
369.15161	0.2
369.19165	1.4
387.20230	1.4
429.14111	2.1
429.20062	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.2694
Annotation	Unknow
Peak:m/z	Relative Intensity
50.97834	0.6
51.75575	0.8
59.01374	91.9
61.98825	5.8
71.01376	25.6
72.99305	5.5
73.87961	0.8
82.95414	1.2
87.00885	0.9
91.03984	3.3
96.95998	2.4
115.00375	6.6
119.94688	1.6
133.01440	1.5
139.11270	2.0
141.12825	1.1
155.10797	2.1
167.10762	4.4
183.10304	0.9
195.14119	0.7
241.04755	0.8
265.21741	1.3
275.20135	1.3
293.21216	17.8
294.21640	1.6
311.22250	100.0
312.22629	8.7
370.57895	0.7
409.22137	3.2
427.23053	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	427.2694
Annotation	Unknow
Peak:m/z	Relative Intensity
57.63081	0.7
59.01376	100.0
60.01695	0.9
60.16902	0.7
61.98818	2.1
70.93587	1.8
71.01368	3.3
72.99300	0.9
77.23535	0.6
91.04035	2.3
95.94756	0.7
115.00346	0.6
150.19116	0.8
154.19000	0.7
161.43513	0.6
181.12370	1.1
275.20117	1.3
293.21204	14.8
294.21646	0.8
311.22296	15.2
312.22726	1.3
371.27005	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.2696
Annotation	Unknow
Peak:m/z	Relative Intensity
56.69541	0.4
59.01377	100.0
60.01717	0.9
61.98831	3.9
67.37254	0.4
69.32622	1.1
69.33031	2.1
76.08456	0.4
81.67420	0.4
88.90054	0.4
96.07785	0.4
98.20577	0.7
103.11272	0.4
110.23119	0.3
111.29351	0.3
117.35432	0.4
119.26164	0.3
128.19937	0.4
182.23143	0.4
184.53642	0.4
191.05632	0.5
226.50281	0.4
275.73199	0.4
280.51096	0.3
293.21210	6.4
294.21442	0.6
367.13812	0.9
408.23630	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.2332
Annotation	Unknow
Peak:m/z	Relative Intensity
52.98111	0.6
59.01376	88.9
60.01720	1.0
61.98834	4.1
66.55074	0.6
71.01377	23.0
72.99299	5.9
91.04015	2.5
96.96006	6.2
115.00367	10.0
125.09718	2.3
133.01414	4.4
139.11285	1.2
141.09270	0.8
141.12794	1.3
155.10710	0.9
155.14491	0.8
157.12404	0.7
167.10765	1.5
171.10301	2.2
200.10532	0.9
201.23640	0.7
211.65668	0.7
229.06029	0.9
229.12558	0.7
249.22260	2.3
265.21661	0.8
267.23169	1.0
275.20160	3.1
283.22678	0.7
293.21204	17.0
294.21466	1.3
311.22250	100.0
312.22601	7.8
373.63571	0.6
393.03799	0.6
408.07892	0.7
409.22156	4.5
427.23260	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.197
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	1.6
59.01379	66.0
61.98831	2.9
63.54441	1.0
67.01900	1.2
71.01378	15.8
72.24874	1.0
73.02954	6.4
75.00869	2.8
79.95742	1.2
81.03452	1.3
83.01376	2.6
85.02939	7.1
87.00886	2.7
89.02443	1.7
93.03452	10.4
95.05025	1.0
95.46375	1.1
96.96011	8.7
98.20619	2.8
99.00874	2.1
101.02434	9.5
109.02955	8.6
109.06580	2.6
111.04513	2.8
113.02441	7.4
116.07977	0.9
121.06490	1.0
123.04517	1.2
123.08146	3.1
125.02431	2.2
125.09714	3.9
127.00352	1.9
132.33301	0.9
135.04529	2.2
135.08159	6.2
136.05327	1.6
137.02415	1.4
137.06056	7.2
139.07692	1.3
148.05322	2.9
151.07635	13.1
153.09207	100.0
154.09573	3.8
157.01410	0.9
161.02434	2.4
161.04533	3.4
163.07664	3.6
163.11163	1.1
165.09218	1.7
167.03455	1.9
167.07095	3.2
168.00714	1.0
172.37140	1.1
173.04608	1.1
179.03452	1.8
179.10788	3.3
181.50629	1.0
184.77260	1.0
191.05589	4.0
203.05490	1.7
205.12352	3.2
207.10240	1.1
208.10936	1.5
209.04555	2.6
222.12625	3.1
223.13374	84.3
224.13805	4.1
239.53087	0.9
291.07639	1.4
297.13440	3.2
307.11893	2.7
315.14435	7.7
337.12802	1.2
339.18005	1.6
357.15521	84.7
358.15875	7.2
389.15088	2.9
427.14117	2.7
427.19733	15.3
428.20523	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.1971
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	0.7
57.03184	0.8
57.03445	11.5
59.01376	29.5
64.20225	0.4
69.03447	1.6
69.29478	3.4
69.29888	0.7
70.81686	0.4
71.01378	9.6
72.99297	0.6
73.02946	13.0
75.24342	0.4
83.01388	3.2
83.05034	0.7
85.02938	1.5
85.06570	0.6
87.00900	0.6
87.04510	100.0
88.04858	1.6
89.02415	0.8
93.03489	0.5
95.05043	0.7
96.96017	3.2
97.02957	0.9
97.06588	2.1
101.02435	8.7
113.02448	2.0
123.08155	1.2
124.42399	0.4
125.06110	1.8
125.09714	5.3
131.03528	0.5
134.44096	0.5
135.04477	0.5
135.08125	1.1
143.03542	0.7
149.04459	0.6
153.09190	5.7
161.04561	1.2
163.11293	1.0
165.09204	6.3
173.04509	0.5
176.08400	0.6
179.10764	0.9
184.14015	0.5
191.05659	0.9
198.92743	0.4
205.12315	19.7
206.12621	1.3
211.61543	0.4
223.13394	18.0
224.13661	1.1
427.19437	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.1971
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	0.8
57.03448	10.1
59.01377	100.0
60.01712	1.0
61.98838	1.1
63.50857	0.7
67.35238	0.7
69.03465	1.9
70.99465	1.3
71.01382	23.2
73.02939	14.4
73.73363	0.7
75.00886	0.8
76.71156	0.7
79.95736	1.3
81.03476	1.3
83.01371	4.4
83.05071	0.9
85.02953	8.9
85.06615	1.0
87.00890	2.4
87.04510	62.6
89.02432	4.4
93.03468	1.5
95.01395	1.8
95.05018	0.8
96.96014	15.9
97.02951	1.7
97.06598	1.6
99.00891	1.2
99.04521	0.9
99.66867	0.8
101.02438	14.7
101.03073	1.0
101.55898	0.6
107.05028	0.8
109.02983	0.8
113.02442	12.4
119.03475	1.8
121.03000	1.4
121.06713	0.8
125.02473	1.5
125.06094	1.2
125.09703	4.1
129.01953	0.9
131.03517	0.8
135.04553	3.0
135.08163	1.3
137.02451	0.9
143.03543	1.2
153.09200	4.3
161.02475	2.3
161.04498	3.6
163.07610	1.0
163.11278	5.4
165.09222	4.7
173.04581	2.1
179.03564	0.9
179.10800	1.1
181.12343	10.6
187.11308	1.4
189.09151	0.9
189.12817	0.9
190.10002	2.2
191.05598	6.4
203.10768	0.8
205.12317	18.2
206.12723	1.1
221.11832	1.3
223.13399	13.0
224.13756	0.8
239.06685	5.9
239.56944	1.2
240.06609	1.4
247.13353	5.2
252.90089	0.7
281.60886	0.9
294.20609	0.9
307.12003	1.0
353.13898	0.7
367.17667	2.7
367.50717	0.7
427.14325	1.2
427.19794	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	427.1931
Annotation	Unknow
Peak:m/z	Relative Intensity
52.79475	0.6
59.01379	18.6
61.98829	100.0
71.61642	0.6
82.56322	0.6
96.96021	0.9
108.23479	0.6
113.82254	0.7
126.70984	0.6
151.82216	0.6
166.49991	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.197
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	1.6
59.01379	66.0
61.98831	2.9
63.54441	1.0
67.01900	1.2
71.01378	15.8
72.24874	1.0
73.02954	6.4
75.00869	2.8
79.95742	1.2
81.03452	1.3
83.01376	2.6
85.02939	7.1
87.00886	2.7
89.02443	1.7
93.03452	10.4
95.05025	1.0
95.46375	1.1
96.96011	8.7
98.20619	2.8
99.00874	2.1
101.02434	9.5
109.02955	8.6
109.06580	2.6
111.04513	2.8
113.02441	7.4
116.07977	0.9
121.06490	1.0
123.04517	1.2
123.08146	3.1
125.02431	2.2
125.09714	3.9
127.00352	1.9
132.33301	0.9
135.04529	2.2
135.08159	6.2
136.05327	1.6
137.02415	1.4
137.06056	7.2
139.07692	1.3
148.05322	2.9
151.07635	13.1
153.09207	100.0
154.09573	3.8
157.01410	0.9
161.02434	2.4
161.04533	3.4
163.07664	3.6
163.11163	1.1
165.09218	1.7
167.03455	1.9
167.07095	3.2
168.00714	1.0
172.37140	1.1
173.04608	1.1
179.03452	1.8
179.10788	3.3
181.50629	1.0
184.77260	1.0
191.05589	4.0
203.05490	1.7
205.12352	3.2
207.10240	1.1
208.10936	1.5
209.04555	2.6
222.12625	3.1
223.13374	84.3
224.13805	4.1
239.53087	0.9
291.07639	1.4
297.13440	3.2
307.11893	2.7
315.14435	7.7
337.12802	1.2
339.18005	1.6
357.15521	84.7
358.15875	7.2
389.15088	2.9
427.14117	2.7
427.19733	15.3
428.20523	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.1428
Annotation	Unknow
Peak:m/z	Relative Intensity
54.60529	0.5
55.78913	0.4
57.03442	1.9
57.96236	0.4
58.35025	0.4
59.01376	4.7
59.23887	0.4
59.83372	0.5
61.98830	0.8
63.19363	0.4
70.00029	1.5
70.63308	0.6
71.01393	0.9
73.02928	0.5
73.72601	0.5
75.00859	0.6
76.94222	0.4
79.95729	2.2
85.02939	0.6
87.00841	0.5
93.03456	0.8
96.96004	100.0
102.42624	0.5
108.29768	0.5
109.05379	0.5
121.02988	0.6
123.04530	0.6
128.03514	0.5
136.22688	0.5
151.04001	0.5
153.09196	0.5
157.10208	0.6
161.02370	0.7
167.03482	1.4
173.04541	0.6
179.03511	0.7
191.05629	0.6
209.04549	1.9
223.13353	1.4
239.05687	0.5
257.19116	6.4
258.19327	0.7
263.09268	0.7
285.18524	3.0
286.18729	0.6
301.18057	79.3
302.18396	8.6
303.19617	38.4
304.19943	4.4
307.11887	1.3
347.18607	29.9
348.18835	2.5
383.15305	9.4
384.15616	1.3
427.13544	7.8
427.19037	1.5
428.14246	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.1606
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	0.8
59.01376	100.0
60.01703	1.0
61.98839	0.7
69.95383	2.4
69.95684	0.7
71.01379	12.2
71.05013	0.4
73.02963	2.7
73.53735	0.4
75.00883	0.4
79.95747	1.1
83.01388	1.1
84.95114	3.7
85.02922	2.5
89.02472	0.6
93.03482	1.8
96.96006	27.6
99.00854	0.6
99.04562	0.9
101.02435	2.5
102.19053	0.5
103.04007	4.2
108.55823	0.5
113.02474	1.2
121.06589	3.1
125.02450	0.9
133.02975	0.7
135.04565	1.4
137.02478	1.1
137.09718	18.2
138.10089	0.7
147.04585	1.4
157.05084	2.4
161.02481	0.8
173.04556	1.6
175.04005	0.6
179.03578	0.7
191.03987	0.4
191.05568	3.1
193.05078	1.6
203.05513	0.8
205.12447	0.7
207.06653	0.7
223.09805	1.8
223.13383	1.2
247.08205	3.2
312.89926	0.5
321.62653	0.5
325.88046	0.5
347.18817	0.6
347.24261	0.8
367.17773	1.4
385.18649	0.5
399.63757	0.6
427.14355	4.5
427.19901	9.1
428.14694	0.6
428.20255	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.1371
Annotation	Unknow
Peak:m/z	Relative Intensity
55.62361	2.7
59.01377	85.2
61.87168	3.6
65.89748	2.9
71.01379	56.5
72.99311	4.5
73.02945	100.0
75.00857	8.0
83.01395	26.9
84.26656	2.7
85.02920	3.3
96.96008	10.1
97.02969	3.6
98.20615	8.9
99.00882	3.2
101.02445	50.8
109.02934	3.5
113.02439	12.6
125.02403	10.2
143.03477	10.9
143.10776	90.6
144.11104	4.8
155.03426	4.3
155.10783	3.3
157.12315	23.2
161.04581	4.1
185.11874	24.4
203.05566	12.1
209.04535	5.9
305.27747	3.4
307.11697	7.0
310.99902	3.1
430.22971	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	427.1428
Annotation	Unknow
Peak:m/z	Relative Intensity
51.39860	0.3
57.03440	0.4
59.01384	0.3
59.09086	0.3
68.42421	0.3
71.38728	0.3
71.39070	0.3
79.95743	1.7
96.96006	100.0
191.49338	0.3
257.19122	1.1
270.28534	0.3
301.18082	9.1
302.18356	0.9
303.19617	7.8
304.20026	1.0
347.18594	2.9
348.18915	0.4
367.25330	0.3
383.15283	2.5
427.14233	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.2179
Annotation	Unknow
Peak:m/z	Relative Intensity
58.62587	0.7
59.01368	4.5
61.98818	5.3
69.61449	4.4
71.00996	1.3
71.01376	24.7
72.01724	0.8
72.99299	6.1
92.92823	0.9
96.95977	1.1
98.20697	1.4
111.08147	2.1
115.00364	4.5
125.02419	1.5
127.11207	1.1
130.98781	0.7
133.01450	1.1
137.02437	1.0
153.12827	2.5
155.10724	1.1
167.10768	1.2
169.12231	1.4
179.14340	0.9
181.12286	2.8
186.30887	0.7
197.11790	2.7
199.13417	0.9
207.13911	1.4
227.12753	1.4
242.62952	0.7
247.20694	3.9
247.23022	0.8
263.20114	1.0
281.21149	1.6
291.19623	21.1
309.20685	100.0
310.21014	8.7
319.22528	0.8
407.20569	3.2
407.73352	0.9
425.20267	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.2177
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	1.3
57.69290	0.6
59.01374	12.4
61.98819	1.6
64.89758	0.5
71.01377	32.0
72.99303	8.1
78.99584	0.5
92.92764	0.8
95.75784	0.6
96.95996	2.1
98.19781	1.1
99.00816	0.7
99.92599	0.8
107.08655	0.9
112.87640	0.8
115.00361	15.7
115.92056	1.5
116.00666	0.7
116.92839	1.7
128.47165	0.6
133.01411	9.4
134.72260	0.6
139.11237	3.1
155.10692	0.9
167.10727	2.3
177.01169	0.6
183.10237	1.1
185.11777	1.0
193.15913	0.6
199.13341	1.3
213.11264	1.3
214.12035	1.6
227.12872	0.7
236.66644	0.6
240.13623	2.0
247.20750	1.5
273.18491	0.7
281.21127	0.8
291.19623	11.7
292.19873	0.8
307.19299	0.7
309.20676	100.0
310.21017	8.2
386.05832	0.7
406.32523	0.6
407.20526	1.6
425.21524	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	425.2544
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	100.0
60.01723	0.8
61.79494	0.6
61.98833	1.7
71.01393	0.5
73.56823	0.5
85.02966	0.5
86.42176	0.5
92.54383	0.5
93.03474	0.6
96.95983	2.8
104.13618	0.5
113.42668	0.5
134.61534	0.5
137.02420	0.8
153.06676	0.6
173.01953	0.5
173.04643	0.8
173.74054	0.5
175.19380	0.5
191.05589	2.5
425.27020	0.6
439.87399	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.2177
Annotation	Unknow
Peak:m/z	Relative Intensity
56.17095	0.5
57.03428	1.6
59.01384	1.4
61.98829	3.8
67.33092	0.6
70.75734	1.2
71.01379	25.5
72.99306	8.4
80.36139	0.5
87.00898	0.5
92.92782	0.7
96.96000	1.1
97.06593	0.7
115.00362	15.8
123.08187	1.2
125.09713	2.9
127.11301	0.6
129.37527	0.5
133.01443	6.4
137.09685	0.8
139.11275	0.6
141.09230	1.3
143.10748	0.6
149.69807	0.5
151.07719	0.5
153.09225	0.9
154.14244	0.6
155.10826	0.8
169.12221	0.6
171.10248	3.0
180.90811	0.6
182.82014	0.5
183.13936	0.9
185.11813	0.5
191.05611	0.7
195.13853	0.5
199.09814	3.7
200.10519	3.5
201.11327	3.0
211.13292	1.1
213.11391	0.8
247.20654	3.6
263.20093	0.6
265.21701	0.8
291.19659	6.3
307.18826	0.6
309.20691	100.0
310.20978	9.0
363.21451	1.3
377.28433	0.9
393.31671	1.7
405.32077	0.7
407.20831	4.1
410.06970	0.6
425.21716	2.1
425.29541	2.6
425.34360	1.2
425.80316	0.5
439.32516	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.2177
Annotation	Unknow
Peak:m/z	Relative Intensity
50.87570	1.2
59.01376	6.6
59.37547	1.1
61.98824	6.8
69.61324	1.7
69.61718	7.8
71.01379	46.2
72.99303	12.7
79.95711	1.7
80.91676	3.6
81.03479	1.3
96.95989	5.9
97.02938	1.3
98.20602	2.7
100.82845	1.2
115.00373	13.1
123.08144	2.3
125.09712	2.9
133.01472	1.5
137.02423	1.6
151.11227	3.4
153.09181	1.6
169.12335	1.5
171.10289	3.7
185.11894	1.4
193.08484	4.2
195.13930	3.0
221.11819	3.2
223.09477	1.5
239.12917	1.7
240.13667	1.6
247.20650	5.6
249.14928	1.4
253.24149	1.2
291.19644	82.3
292.19946	5.8
309.20691	100.0
310.21057	8.1
319.22638	1.5
343.24857	3.0
407.20605	2.5
425.21786	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	425.1311
Annotation	Unknow
Peak:m/z	Relative Intensity
52.03416	0.5
52.53142	0.5
59.01374	1.0
65.47761	0.5
67.01880	1.4
67.50899	0.6
69.03439	0.5
69.77809	2.7
70.65331	0.6
71.01365	1.5
83.05034	0.6
85.02958	5.2
87.00874	1.3
93.03452	8.5
93.67220	0.5
98.79395	0.6
109.02974	0.7
111.04494	2.4
115.19240	0.6
123.48249	0.6
127.04025	1.8
129.01906	0.6
145.22739	0.7
155.03496	2.0
168.67088	0.5
173.04538	28.5
174.04846	1.0
177.04160	10.7
177.05696	0.6
191.05594	56.0
192.06511	41.0
193.06889	1.6
207.08853	100.0
208.09116	3.5
224.05493	22.3
225.05609	0.8
233.08043	0.6
239.25060	0.6
301.41595	0.6
322.62210	0.6
330.89923	0.6
407.07977	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.1311
Annotation	Garenoxacin
Peak:m/z	Relative Intensity
50.70773	0.3
53.19160	0.3
59.01382	1.5
60.99310	0.3
67.01875	0.9
68.72587	0.3
69.03442	0.4
71.01392	1.8
75.27316	0.3
81.03432	0.4
83.05020	0.5
85.02947	8.5
87.00858	1.3
93.03454	6.8
93.04009	0.6
98.19895	0.7
99.04535	0.5
107.85864	0.3
109.02931	0.8
111.04536	1.7
127.04018	2.4
137.02432	0.5
150.60818	0.3
155.03462	0.7
163.43985	0.3
171.02963	0.6
173.04538	20.2
174.04861	0.7
177.04150	1.2
191.05603	100.0
192.06467	5.7
207.08852	11.8
208.09291	0.4
224.05516	2.8
311.72073	0.3
314.01028	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.1842
Annotation	FR901483
Peak:m/z	Relative Intensity
59.01378	1.9
61.98827	4.0
69.38899	4.9
78.95901	9.7
79.95718	2.7
89.63069	0.6
96.96007	100.0
96.96927	18.7
121.31878	0.6
123.04338	0.6
137.02390	0.7
181.16225	0.6
191.05597	1.1
201.11334	2.4
213.11256	0.8
223.09386	0.6
239.06036	0.6
257.07050	2.2
269.07159	0.7
271.05005	2.4
271.08331	0.6
299.08136	6.3
311.08099	0.8
327.21786	2.7
347.15375	1.3
365.16382	1.6
374.09006	0.7
407.17487	1.9
425.19730	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.2514
Annotation	Unknow
Peak:m/z	Relative Intensity
50.66300	0.3
55.48061	0.3
78.95900	16.1
90.15567	0.3
94.12633	0.3
98.19852	0.9
101.74462	0.3
101.98122	0.3
104.97426	0.7
110.98517	9.7
111.13153	0.4
123.02265	0.3
137.00060	0.7
140.21260	0.3
152.99561	4.0
159.47778	0.3
167.01131	12.2
168.01457	0.4
185.02176	2.7
204.23238	0.3
229.23572	0.5
255.23259	100.0
256.23602	8.7
353.49484	0.4
423.25116	25.3
424.25491	2.7
430.17786	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	424.2185
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	100.0
60.01715	0.7
61.98827	35.0
63.57986	0.4
69.47644	1.1
69.48068	2.1
70.40042	0.4
71.01376	0.7
84.95882	0.4
87.18496	0.4
95.76138	0.4
96.95979	0.4
152.62671	0.6
188.43922	0.4
196.41862	0.4
223.88509	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.2236
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46953	0.3
55.01878	5.2
57.03446	3.9
58.00582	1.3
59.01377	38.8
60.01714	0.4
61.98824	0.4
68.99817	0.6
69.03451	1.3
71.01378	57.9
71.62204	0.4
72.01723	1.1
72.99309	2.5
73.02942	29.4
75.00874	1.8
81.03452	0.9
83.01382	14.1
84.02162	0.5
85.02947	31.9
86.00094	1.9
86.03293	0.5
87.00876	3.5
89.02440	11.2
89.03967	0.4
95.01379	4.8
95.05004	0.3
96.96014	1.4
97.02940	3.2
98.95573	0.3
99.00876	12.5
99.04551	0.3
101.02439	65.1
102.02783	1.2
109.02975	0.5
111.00862	1.6
113.02443	22.7
114.02798	0.5
115.04034	1.4
117.03431	0.6
119.03517	1.0
123.04524	1.1
125.02442	3.5
127.11284	0.5
129.01939	1.5
129.12845	0.7
131.03488	2.3
133.02988	1.8
134.03723	2.1
135.04483	1.6
137.02449	1.0
141.01988	0.5
143.03468	2.6
145.02791	0.3
147.03020	0.4
149.04564	1.9
159.02992	4.4
161.02373	1.1
161.04555	18.4
162.03186	1.1
167.03464	0.4
173.04536	1.2
173.11865	0.3
177.01926	1.6
178.02661	0.9
187.03957	0.4
191.05623	1.3
199.13440	0.7
205.03438	0.5
231.10252	1.0
233.06613	2.6
233.97740	0.3
245.08253	0.5
271.02399	0.6
275.09256	5.0
289.07162	1.3
291.18109	99.3
292.18451	6.6
293.08759	1.2
303.03976	0.4
335.17026	0.7
385.12622	0.4
387.14508	1.6
423.22314	100.0
424.22647	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	423.1682
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	2.9
61.98831	4.9
64.57550	0.7
68.72562	0.8
69.35130	5.4
75.00849	0.9
78.95900	13.5
79.95721	3.7
81.70952	0.7
86.29862	0.8
96.96008	100.0
96.96935	26.3
97.93104	1.2
97.95975	0.8
114.01910	0.9
145.07132	0.7
191.05605	2.2
199.02881	0.8
253.07416	1.1
271.02280	0.9
325.20157	1.8
343.04507	1.2
361.23856	1.1
363.14911	1.1
423.24149	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	423.1687
Annotation	Unknow
Peak:m/z	Relative Intensity
50.06545	0.7
55.65078	0.7
59.01371	2.7
61.98828	3.6
68.99622	0.6
71.62305	1.0
71.62653	0.8
75.00887	0.7
78.95911	7.2
79.95742	2.8
91.12269	0.8
96.96008	100.0
96.96922	13.7
125.09747	1.2
156.62672	0.8
211.13353	0.8
221.33211	0.9
265.07462	2.5
269.06964	1.1
307.19247	1.4
312.99927	1.5
335.15454	2.0
343.04556	1.8
345.13864	3.7
363.14859	9.5
364.15247	1.2
381.15756	1.0
405.15811	1.0
423.16928	7.7
423.22754	1.1
423.32910	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.2234
Annotation	Unknow
Peak:m/z	Relative Intensity
51.15901	0.4
55.01872	4.9
57.03439	3.6
58.00584	1.1
59.01375	28.2
61.98817	1.1
67.01884	0.6
69.03459	1.3
69.56395	2.7
71.01377	55.1
72.01728	0.4
72.99298	2.9
73.02943	29.4
75.00870	1.9
81.03455	0.8
83.01387	13.7
85.02944	29.9
86.00089	2.3
86.03281	0.8
87.00880	3.4
89.02435	10.7
93.03456	1.3
95.01377	3.9
96.96002	4.7
97.02917	2.5
99.00876	11.8
99.04548	0.4
101.02435	55.0
102.02798	0.6
105.03465	0.7
109.02950	0.8
111.00889	2.3
113.02440	18.7
115.04015	1.7
117.03463	0.4
118.28151	0.5
123.04548	0.6
125.02464	4.4
127.11279	0.7
128.64336	0.4
129.01944	1.4
129.12888	0.6
131.03505	2.5
133.02924	1.8
134.03757	3.9
135.04555	2.8
137.02426	1.5
143.03497	2.6
147.02972	1.0
149.04543	1.8
155.03421	0.5
159.02969	4.3
161.02428	1.0
161.04546	20.8
162.03200	2.7
162.04793	0.6
173.04526	2.6
177.01926	1.3
178.02699	1.1
191.05568	2.2
199.13289	0.7
205.03484	0.8
231.10254	1.1
232.95096	0.4
233.06670	2.3
259.02408	0.7
271.02460	1.2
275.09241	8.9
276.09531	0.5
291.18103	78.7
292.18433	5.1
293.08694	1.0
303.04132	0.7
333.05560	0.4
333.19373	0.4
335.17096	0.7
343.04504	0.7
357.16046	0.4
423.06927	1.7
423.22287	100.0
424.22684	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	422.1588
Annotation	Unknow
Peak:m/z	Relative Intensity
58.03375	0.9
59.01382	1.3
61.98828	100.0
71.61861	0.7
71.62266	1.3
93.50176	0.9
170.94330	0.8
259.02283	1.3
260.02795	0.8
271.02328	1.2
272.02896	2.3
273.03616	1.5
291.19400	0.8
301.03464	0.9
302.03757	2.9
332.04865	2.4
386.24435	0.9
422.08145	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	422.1584
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	2.8
61.68539	0.5
61.98825	100.0
69.15195	0.5
74.73589	0.6
92.31075	0.6
96.96026	0.8
106.29790	0.6
139.46045	0.6
146.60345	0.6
184.36095	0.6
212.14490	0.5
218.54578	0.5
219.79625	0.7
251.12862	0.6
253.80304	0.7
259.02274	1.6
260.02875	1.2
271.02490	0.7
272.02945	1.9
273.03528	1.8
277.09525	0.5
286.04660	0.8
295.66418	0.6
301.03540	1.6
302.03793	4.7
312.99722	0.9
328.02075	0.8
332.04898	3.6
343.04681	1.2
422.08249	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	421.2358
Annotation	Unknow
Peak:m/z	Relative Intensity
57.25464	2.4
59.01365	6.1
61.03640	2.3
61.98817	8.5
69.79158	5.4
69.79568	11.1
75.00853	3.5
78.95897	10.0
88.98811	7.4
96.96000	28.5
96.96957	16.7
109.02950	4.8
121.02921	3.7
121.82807	2.5
121.87302	2.3
125.02412	2.9
161.02496	2.9
164.80946	2.6
176.09283	2.6
243.03049	3.3
256.40350	3.0
258.01685	27.5
259.02405	40.8
271.02478	29.3
272.03171	30.9
273.03860	6.0
285.03967	7.1
298.01129	5.6
301.03494	100.0
302.03873	5.9
313.03354	4.0
315.05164	4.3
323.25241	2.9
331.04535	68.0
331.18860	4.4
332.05069	4.2
363.11099	2.6
403.06583	6.3
421.07813	61.3
421.26694	6.0
422.08057	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	421.2358
Annotation	Unknow
Peak:m/z	Relative Intensity
57.25464	2.4
59.01365	6.1
61.03640	2.3
61.98817	8.5
69.79158	5.4
69.79568	11.1
75.00853	3.5
78.95897	10.0
88.98811	7.4
96.96000	28.5
96.96957	16.7
109.02950	4.8
121.02921	3.7
121.82807	2.5
121.87302	2.3
125.02412	2.9
161.02496	2.9
164.80946	2.6
176.09283	2.6
243.03049	3.3
256.40350	3.0
258.01685	27.5
259.02405	40.8
271.02478	29.3
272.03171	30.9
273.03860	6.0
285.03967	7.1
298.01129	5.6
301.03494	100.0
302.03873	5.9
313.03354	4.0
315.05164	4.3
323.25241	2.9
331.04535	68.0
331.18860	4.4
332.05069	4.2
363.11099	2.6
403.06583	6.3
421.07813	61.3
421.26694	6.0
422.08057	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	421.2359
Annotation	Unknow
Peak:m/z	Relative Intensity
56.88182	0.4
72.62440	0.4
73.22280	0.4
80.91685	1.4
80.96507	0.5
87.16325	0.4
92.47263	0.4
98.20673	0.9
124.15891	0.4
163.11284	100.0
164.11615	5.0
164.50566	0.5
165.20549	0.5
259.02417	1.0
301.03503	1.9
313.03763	0.5
331.04605	1.7
331.37332	0.4
339.23257	71.8
340.23602	7.1
379.21280	0.9
421.07599	1.1
421.22354	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	421.2361
Annotation	Unknow
Peak:m/z	Relative Intensity
51.08688	2.0
58.39544	2.6
59.01370	3.9
61.98829	16.0
66.86005	3.4
69.36906	7.9
69.37313	12.6
69.59082	2.4
78.95920	3.7
88.98805	4.7
91.51036	2.5
96.95963	5.1
109.02924	4.5
121.02942	7.4
137.02438	2.5
163.96971	2.6
197.90146	2.4
215.03549	3.0
223.65758	2.5
226.28134	2.6
243.02992	4.2
258.01651	24.8
259.02423	36.7
266.69275	2.8
271.02454	36.5
272.03214	28.1
273.03949	4.6
285.04037	9.4
298.01367	3.2
301.00092	5.2
301.03519	100.0
302.03793	8.2
313.03558	7.2
331.04572	64.8
332.04803	5.4
367.09113	3.5
403.06580	8.3
421.07797	62.2
421.27817	5.6
422.08118	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	421.2358
Annotation	Unknow
Peak:m/z	Relative Intensity
50.86675	3.1
56.31734	3.2
59.01372	11.4
61.98825	4.1
66.90678	2.9
68.04079	4.1
69.99665	14.8
88.98776	5.9
101.94165	3.0
105.01907	5.0
109.02966	5.4
125.02541	2.9
140.71246	3.8
258.01596	27.1
259.02478	33.2
270.76746	3.2
271.02493	36.4
272.03214	28.0
273.04108	3.8
285.04056	6.0
293.21295	6.7
298.01089	3.8
301.00092	5.9
301.03516	100.0
302.03967	8.9
313.03543	5.2
315.04913	4.7
331.04517	58.1
332.04852	4.7
343.05008	3.3
403.06647	4.8
404.07822	3.8
421.07672	67.5
422.08008	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	421.1053
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03425	3.3
59.01379	14.8
61.98826	29.7
67.01851	2.0
69.03455	2.1
69.63511	10.1
69.63924	3.7
71.01382	14.6
71.05019	3.6
72.65150	1.6
72.99323	2.3
73.02917	2.1
78.95914	4.5
83.01365	7.8
85.02935	5.3
86.29251	1.6
87.00838	1.8
93.03450	4.4
95.01312	2.3
96.96016	2.5
97.02937	2.6
101.02428	4.4
102.31787	1.8
108.02118	2.7
109.02951	12.9
113.02406	3.7
121.02943	4.3
122.03731	3.7
123.04487	4.2
125.02435	20.8
135.04526	3.9
137.02432	85.0
138.02779	2.8
143.10739	7.4
146.03705	2.9
147.04482	1.9
149.02470	3.8
150.03194	14.0
157.94756	1.9
159.04482	3.3
161.02402	5.5
163.00423	2.4
164.01138	14.8
165.01920	58.8
167.03462	7.8
172.05212	9.0
173.04572	2.5
173.05930	3.6
173.09543	1.9
174.03217	3.5
175.03964	5.2
175.07617	12.4
177.01872	3.1
179.03459	3.5
185.06015	2.3
187.03935	1.9
187.07610	3.0
191.05603	28.7
199.83795	1.9
200.04749	5.4
201.05501	7.4
201.09166	17.0
203.07111	9.1
211.03999	2.1
215.03481	4.8
217.08698	12.9
218.09442	2.3
219.10223	6.0
229.08665	10.9
230.02245	2.1
241.04927	3.0
243.02921	5.2
247.09705	26.1
251.00526	2.0
255.02856	2.6
258.01678	26.6
259.02423	30.1
259.09686	3.1
261.18527	2.9
271.02441	31.0
272.03183	26.0
273.04010	8.4
281.11725	5.4
283.09750	2.4
285.04047	10.0
290.14417	2.1
298.01086	4.3
299.12766	2.5
301.03482	91.3
302.03723	6.2
313.03607	9.6
323.12906	4.5
331.00876	3.9
331.04559	54.5
331.08484	2.6
331.22595	3.4
332.04803	4.4
367.11819	28.7
368.12057	2.7
377.23260	2.9
385.12888	100.0
386.13364	10.8
388.04059	2.5
403.06641	7.0
421.07745	47.4
421.22287	14.3
422.08035	4.6
422.22546	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	421.0775
Annotation	Isomangiferin
Peak:m/z	Relative Intensity
59.01378	5.3
64.89317	0.5
71.01387	1.1
77.56678	0.4
78.15491	0.4
83.01369	0.5
85.02982	0.5
89.02423	0.6
93.03468	1.0
95.01385	0.6
96.95965	0.7
98.06247	0.4
107.01392	0.5
108.02129	1.0
109.02931	5.0
113.02402	0.5
124.01640	0.6
125.02433	1.1
137.02423	1.7
149.02435	0.6
151.00403	0.6
157.06570	0.6
159.04478	0.7
161.02458	0.8
163.00357	1.1
165.01947	1.2
167.03470	0.5
173.04631	0.6
173.06004	0.6
179.03529	0.5
187.04036	0.9
190.99886	0.7
191.03705	0.5
191.05597	2.1
199.04092	0.9
200.04727	0.5
201.05597	0.7
215.03450	5.0
217.01399	0.7
217.05058	0.5
227.03458	1.8
228.04160	0.6
229.01358	0.5
229.04938	1.2
230.02065	0.7
231.02982	0.9
231.95569	0.6
243.02939	4.6
244.03656	1.4
245.04550	1.2
247.09833	0.5
255.02913	1.3
257.00702	0.6
257.04581	0.6
258.01642	25.7
259.02423	38.0
260.02814	2.0
270.01636	0.8
271.02448	35.2
272.03183	30.6
273.03946	10.0
274.04443	1.0
276.16089	0.5
283.02298	1.2
285.04044	9.5
286.04346	0.7
298.01181	3.7
299.01804	1.7
301.03506	100.0
302.03873	9.1
304.01959	0.9
313.03537	6.5
315.05017	2.6
331.04553	65.8
332.05045	4.9
339.04968	0.5
343.04526	1.8
355.04575	0.6
361.05762	0.9
385.05545	1.2
385.12833	2.9
403.06711	7.6
404.06934	1.1
405.28656	0.5
421.07715	36.8
422.08096	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	421.0775
Annotation	Unknow
Peak:m/z	Relative Intensity
54.00546	0.8
59.01380	1.6
61.98845	0.9
66.51575	0.7
70.36053	3.1
94.02916	0.7
109.02940	3.5
110.03403	0.7
111.29105	0.8
143.04672	1.2
145.52802	0.7
163.00360	1.5
187.03984	1.3
190.99847	0.9
191.05574	1.0
199.04007	1.4
211.04013	0.8
215.03429	4.6
227.03471	2.3
229.01347	0.8
229.05090	1.4
230.02147	1.4
243.02965	5.0
245.04492	0.8
255.02773	1.4
257.04578	1.3
258.01657	23.7
259.02417	33.1
260.02753	2.2
271.02444	31.8
272.03210	32.2
273.03943	11.3
274.53345	0.8
283.02625	1.0
285.04004	10.1
298.01108	4.3
299.01822	1.3
301.03503	100.0
302.03812	6.9
304.02362	1.1
306.07642	2.3
313.03534	7.2
315.05060	2.8
331.04541	61.1
332.05020	4.2
343.04477	1.3
403.06656	7.5
404.07336	1.0
421.07700	58.5
422.08194	7.2
422.13840	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	421.0773
Annotation	Isomangiferin
Peak:m/z	Relative Intensity
59.01374	4.8
69.78101	4.1
71.01407	0.8
74.58084	0.6
85.02943	1.1
89.02470	0.8
90.21827	0.7
93.03445	1.2
93.28326	0.7
108.02174	0.8
109.02954	4.8
113.02406	0.9
117.04133	0.8
123.27451	0.7
125.02420	1.0
139.00294	0.9
144.90891	0.7
145.02988	0.9
151.00380	0.8
153.37630	0.7
159.04482	0.7
163.00365	1.0
165.01819	0.8
187.03876	1.3
191.03543	0.8
191.05623	1.0
215.03459	3.9
217.01509	0.9
227.03506	2.0
228.04503	1.0
229.01306	0.8
229.05031	1.8
230.02190	1.1
231.02925	2.0
243.02959	5.2
255.03053	1.4
257.04581	0.9
257.98895	1.3
258.01642	26.5
259.02435	36.2
260.02713	1.8
271.02460	33.6
272.03204	30.7
273.03857	9.0
274.04236	0.7
285.04044	9.1
286.04492	0.8
298.01157	4.3
299.01877	1.7
301.03519	100.0
302.03867	8.9
313.03482	6.3
314.03659	1.0
315.05069	2.1
331.04553	65.2
332.04947	4.9
343.04572	2.6
373.05096	0.9
385.05637	1.0
403.06604	10.3
404.06943	1.1
421.07727	62.6
422.07922	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	421.0772
Annotation	Unknow
Peak:m/z	Relative Intensity
70.15730	2.8
94.91099	0.8
109.02957	2.5
134.44414	0.7
154.12372	0.7
156.03983	0.8
187.04042	1.2
190.99928	1.0
215.03558	2.7
227.03426	1.3
229.04913	1.7
243.02925	3.3
244.03613	0.9
255.03041	1.3
258.01678	19.0
259.02411	24.5
260.02670	2.1
261.22943	0.8
271.02444	25.7
272.03195	24.7
273.03958	7.0
274.04477	0.8
285.03964	5.4
298.01120	3.3
299.01672	1.0
301.03513	100.0
302.03854	9.3
313.03427	3.9
315.05164	1.6
331.04556	67.7
332.04901	8.9
335.14612	0.7
343.04395	2.0
373.05536	0.9
403.06680	13.2
404.06805	1.2
421.07709	90.4
422.08057	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	421.0772
Annotation	Unknow
Peak:m/z	Relative Intensity
52.25373	0.5
57.00164	0.5
77.64194	0.5
109.02919	1.3
120.01001	0.5
137.59641	0.5
151.00392	2.4
158.92879	0.5
159.04492	0.5
174.03250	0.6
183.04320	0.5
187.62521	0.5
215.03387	0.9
227.03448	1.6
229.05099	1.2
230.02216	0.5
243.02974	1.5
258.01663	29.2
259.02393	17.9
260.02829	1.2
271.02454	19.8
272.03189	10.6
273.04004	13.7
274.04507	0.7
283.02454	1.2
285.04022	5.8
298.01016	0.8
299.02081	0.9
301.03503	100.0
302.03891	9.1
304.02182	2.9
313.03503	10.9
314.03876	0.9
329.02921	0.5
331.04547	65.2
332.04901	5.7
343.04645	2.6
361.05679	1.3
385.05814	0.9
403.06714	2.8
411.81335	0.6
421.07703	42.6
422.08011	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	419.2205
Annotation	Unknow
Peak:m/z	Relative Intensity
51.75507	29.3
59.01375	100.0
61.98832	81.1
80.96507	41.5
85.21350	30.7
89.53311	36.0
96.12102	32.1
96.95978	45.5
98.90891	31.9
203.52350	35.8
206.72687	32.3
225.91983	35.8
229.06874	45.8
250.89946	31.1
260.50919	33.6
312.47449	34.7
419.23984	46.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.22
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01361	87.8
61.98819	59.7
66.08128	26.5
74.27774	29.4
88.98808	47.7
94.30644	28.5
96.95965	32.1
98.19902	100.0
179.03401	28.8
229.23595	30.5
268.56589	31.3
323.71329	33.5
329.17279	40.2
419.20502	35.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.2284
Annotation	Unknow
Peak:m/z	Relative Intensity
53.56557	1.0
55.01882	1.3
57.03442	11.4
59.01379	6.8
61.98829	2.1
64.02901	1.0
71.01372	3.8
71.61522	1.7
72.99285	1.2
75.00867	1.4
83.01366	2.8
84.02159	2.3
84.85494	0.9
85.02948	100.0
86.03305	2.3
86.97449	0.9
87.00875	1.5
92.32678	1.0
96.96006	2.3
97.61974	1.1
100.08428	0.8
103.00317	1.6
106.26742	1.0
111.00861	5.6
118.62902	1.0
129.01926	12.3
147.02998	13.6
164.07851	1.1
168.62680	0.9
173.00879	3.3
176.56958	0.9
191.01959	45.4
192.02242	2.0
209.03001	1.7
227.20113	2.9
261.78555	0.9
359.25912	1.0
419.22885	3.7
419.28174	2.3
433.76242	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.075
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	0.3
59.01376	1.4
67.01863	0.4
68.72861	0.3
69.64140	1.6
71.01369	0.7
73.02933	0.3
78.09478	0.2
78.95906	0.5
83.05049	0.5
85.02942	8.5
87.00864	2.2
88.83603	0.2
93.03455	3.1
98.19960	0.4
99.04547	0.4
102.71028	0.3
109.02924	0.6
111.00869	0.6
111.04482	1.2
127.03997	2.2
158.10846	0.2
171.02969	0.7
172.20374	0.2
173.00882	0.2
173.04494	1.3
191.05594	100.0
192.05910	3.3
312.24915	0.3
421.07516	10.3
422.07791	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.2107
Annotation	Unknow
Peak:m/z	Relative Intensity
51.81133	0.3
53.16106	0.3
54.84076	0.2
55.29145	0.3
55.99356	0.2
59.01374	2.4
61.98833	3.3
69.71275	1.7
71.01398	0.4
79.95734	2.0
84.33477	0.3
85.02953	0.5
87.36492	0.3
88.20354	0.3
93.03459	0.5
96.96008	86.4
98.19939	0.4
101.02403	0.3
106.06645	0.4
108.02189	0.3
108.94532	0.3
109.02952	1.0
121.02912	0.3
129.69479	0.3
133.03027	0.3
135.04539	0.5
153.01942	0.7
155.99136	0.3
159.04459	0.3
161.02437	0.3
173.04521	0.5
175.04124	0.4
189.01967	0.5
191.05571	2.1
201.02000	0.3
216.00620	0.9
217.01367	0.7
239.06674	2.2
239.56821	0.8
267.06940	0.3
271.10468	0.4
309.04056	0.5
331.12933	1.2
419.21069	100.0
420.21417	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	419.22
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01361	87.8
61.98819	59.7
66.08128	26.5
74.27774	29.4
88.98808	47.7
94.30644	28.5
96.95965	32.1
98.19902	100.0
179.03401	28.8
229.23595	30.5
268.56589	31.3
323.71329	33.5
329.17279	40.2
419.20502	35.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.2128
Annotation	Unknow
Peak:m/z	Relative Intensity
50.96764	0.5
53.34410	0.7
57.03441	1.0
59.01376	100.0
60.01707	0.8
61.98828	14.5
71.01383	1.1
71.62009	0.6
71.62424	0.6
79.95726	1.1
81.03455	1.3
83.05045	1.9
85.02975	0.9
87.21424	0.6
96.96029	2.6
101.02396	0.7
111.00903	0.8
121.02958	0.8
135.04520	0.6
137.02449	0.7
137.78677	0.6
161.02530	0.8
173.04539	1.0
191.05669	2.5
191.52867	0.6
248.06314	0.6
313.24036	0.9
331.24927	4.1
373.25974	2.9
417.19516	6.4
417.24368	0.7
444.46078	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.3218
Annotation	Unknow
Peak:m/z	Relative Intensity
57.54955	0.5
59.01376	100.0
60.01707	1.1
66.24886	0.6
70.70753	1.4
77.20756	0.6
112.86906	0.5
128.47951	0.5
129.48315	0.6
140.79848	0.6
278.27109	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	418.0989
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46003	0.5
57.03432	0.6
59.01376	37.3
60.01715	1.1
61.98827	100.0
66.17738	0.5
67.01889	0.7
69.03436	0.5
69.46371	1.1
69.46787	3.4
71.01373	6.3
72.01740	0.6
72.99311	0.9
73.02930	3.2
75.00866	0.5
79.95749	1.5
80.80418	0.5
81.95313	0.7
83.01390	1.0
84.31583	0.5
85.02942	5.8
86.03290	0.6
87.00882	1.1
89.02436	1.9
91.36134	0.5
93.03457	2.7
96.96004	3.6
97.94780	1.2
98.95610	1.5
99.00931	0.6
101.02438	4.9
102.02770	0.6
106.86112	0.5
109.02931	1.2
111.04506	0.9
113.02428	1.4
114.02765	0.8
119.03455	0.6
121.02859	0.6
123.04598	0.5
125.02427	0.8
135.04491	1.0
137.02458	1.2
139.07637	1.5
140.07991	0.6
143.03494	0.9
148.04068	0.5
161.02444	0.8
161.04552	4.6
162.04921	1.1
163.03951	0.7
173.04565	3.7
174.04877	0.6
179.03484	0.7
191.05602	24.1
192.06006	1.4
193.76057	0.6
203.07083	0.7
216.00565	0.5
239.06677	0.9
239.56819	0.6
240.07550	0.8
266.07086	1.1
269.10345	3.7
281.09171	3.1
290.71213	0.5
292.59830	0.7
311.11234	1.1
324.08258	0.5
358.15775	2.2
387.08450	0.5
400.16794	0.8
401.12189	1.5
417.18091	11.3
418.18134	58.6
419.10373	4.2
419.18085	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	417.2046
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	100.0
61.98832	32.9
63.00773	12.8
63.48962	11.4
66.43420	14.0
69.55322	72.6
69.55745	25.2
96.95991	16.0
103.62840	11.4
108.55149	12.5
124.14722	15.1
182.29822	13.4
272.23596	13.2
417.26489	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	417.2133
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	100.0
60.01712	0.6
61.85609	0.4
61.98829	3.4
63.18367	0.3
67.57401	0.4
69.03471	0.6
71.01380	2.8
71.60706	0.4
73.02961	1.1
75.00887	0.8
79.95749	1.7
83.01398	1.3
85.02927	1.9
87.00854	0.6
89.00867	0.4
89.02447	0.4
93.03499	1.0
95.01409	0.4
95.95237	0.5
96.95997	3.7
98.19844	0.8
98.95608	0.6
99.00905	0.9
100.04060	1.6
101.02444	2.9
105.07131	0.4
109.02988	1.4
113.02480	0.9
119.03522	0.5
122.03741	0.6
125.02448	1.7
135.04541	0.9
137.02428	4.9
148.01843	0.4
149.02409	0.5
150.03217	3.5
151.00313	0.4
159.04617	0.4
161.02490	1.2
161.04544	0.6
165.01947	1.7
173.04611	0.9
173.05977	0.5
174.01752	1.0
175.03984	0.6
191.05609	7.7
192.05971	0.9
201.05583	0.8
255.06552	0.8
259.06201	0.5
287.05585	3.6
288.06262	0.6
307.12112	0.6
330.14185	0.8
336.70966	1.8
337.21115	0.5
352.67398	0.4
367.14108	0.9
385.13071	0.8
417.19531	9.0
417.73755	3.0
418.19135	0.9
418.24271	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.1953
Annotation	Unknow
Peak:m/z	Relative Intensity
51.58952	0.2
59.01371	0.5
69.88634	1.0
71.01359	0.2
79.95739	2.7
80.42037	0.2
80.98329	0.2
85.02959	0.2
89.02461	0.2
93.03463	0.5
94.34198	0.2
95.95256	0.8
96.96031	0.4
97.02909	0.2
98.20630	0.2
109.02947	0.7
110.64860	0.2
123.04494	0.2
124.01579	0.2
125.02438	1.6
135.04504	0.3
137.02403	1.2
151.04042	0.2
161.02472	0.2
164.01141	0.5
165.01953	1.0
167.03583	0.3
173.04562	0.4
175.07660	0.4
176.04750	0.6
177.01898	0.7
178.02278	0.2
179.03505	1.1
181.05023	0.4
187.07603	0.2
191.05580	1.1
192.05884	0.3
205.08684	0.7
229.08710	0.3
289.07312	0.2
297.33038	0.2
297.57245	0.2
323.13007	0.3
329.14285	0.2
367.11816	0.6
369.17328	0.5
381.17517	0.4
385.12991	0.6
399.14346	0.4
399.18576	2.9
400.18582	0.2
417.19498	100.0
418.19824	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	417.195
Annotation	Unknow
Peak:m/z	Relative Intensity
55.80613	0.2
56.03318	0.3
59.01086	0.3
59.01371	2.3
59.77748	0.2
68.76804	0.2
69.64135	0.5
69.64542	1.0
71.01387	0.5
78.88752	0.2
79.95721	2.6
85.02948	0.2
87.54424	0.2
93.03436	0.5
95.95222	0.9
96.96001	0.8
99.04547	0.2
101.02397	0.3
109.02959	0.4
125.39104	0.2
128.40384	0.2
137.02374	0.3
147.02863	0.3
154.88832	0.2
173.04611	0.5
182.66107	0.2
191.05598	1.9
327.70184	0.3
352.00211	0.2
399.18442	5.4
400.18787	0.5
417.19455	100.0
418.19791	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	417.1948
Annotation	Unknow
Peak:m/z	Relative Intensity
51.96334	0.2
59.01372	1.3
60.46606	0.2
69.34420	0.2
70.01568	0.5
70.01974	0.6
71.01369	0.3
72.99284	0.3
79.95736	2.1
87.79000	0.2
93.03449	0.8
95.95229	1.3
96.96004	4.3
105.01937	0.3
110.97574	0.2
120.98721	0.2
125.02444	0.3
137.02455	1.4
151.03912	0.3
165.01869	0.6
167.03485	0.4
171.10201	0.3
173.04485	0.5
173.05913	0.3
175.04019	0.3
191.03821	0.3
191.05580	1.7
215.07133	0.2
234.90665	0.2
269.52179	0.2
283.12320	0.2
325.14819	0.2
399.18402	2.0
417.19479	100.0
418.19794	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	417.155
Annotation	Unknow
Peak:m/z	Relative Intensity
56.56489	1.0
57.03451	6.6
59.01376	13.8
61.98829	2.2
65.26609	1.0
69.03442	2.6
71.01371	4.4
72.99292	1.2
73.02951	1.2
77.49352	1.1
79.95728	8.9
80.96520	1.4
81.03443	3.8
83.01391	6.0
85.02937	3.9
85.82756	1.0
89.02427	1.4
93.03476	6.9
95.01385	1.9
95.05014	4.5
95.95247	2.2
96.95432	2.1
96.96007	21.2
97.02942	7.3
97.06602	1.5
98.95568	1.4
99.04514	2.0
101.02414	2.9
107.05031	1.7
108.02183	1.4
109.02956	13.3
111.04512	2.8
114.05634	2.1
121.02936	4.6
122.03728	3.5
123.04510	2.9
125.02441	43.6
133.02977	1.9
135.04521	9.2
137.01433	2.1
137.02437	36.5
137.05937	1.4
138.03053	1.3
139.03966	2.4
141.24905	1.1
141.34348	1.0
146.03706	6.8
146.04688	1.4
147.03458	1.0
147.04462	5.3
149.06070	1.7
150.03223	1.6
151.04005	6.5
159.04514	17.8
161.02409	4.0
161.06108	1.7
164.01143	17.8
165.01920	27.2
166.02527	1.1
167.03474	9.8
172.05305	2.5
173.04498	5.9
173.06062	6.0
174.03214	3.0
174.04810	1.3
174.06798	3.2
175.03967	6.1
175.07632	13.3
176.04796	20.9
177.01903	6.1
179.03488	43.2
180.03732	1.7
181.05046	2.7
185.06024	1.3
187.03973	3.1
187.07634	10.7
188.04698	2.4
189.05495	2.9
189.09207	1.8
190.06232	1.2
191.05605	15.8
191.07149	2.0
192.05942	2.1
199.07584	2.5
200.04762	1.7
201.05533	4.8
201.07361	1.0
201.09175	4.1
202.06369	2.7
203.07120	6.1
204.04236	5.8
204.07803	1.0
205.08672	20.0
205.10596	1.2
210.02344	3.7
212.04684	1.2
213.09201	3.3
213.79449	1.0
214.12077	1.1
216.07790	1.4
217.08690	4.1
219.10207	2.9
225.05550	1.4
226.06361	2.1
227.07042	2.7
229.04979	1.8
229.08705	7.9
231.06998	8.1
231.10260	1.2
231.57039	1.9
237.11293	4.3
239.06886	7.0
239.10698	2.1
240.56685	2.1
241.08653	3.0
243.88553	1.4
244.07365	4.5
245.08128	2.8
247.09729	2.9
252.07935	1.6
255.10252	3.6
257.11780	2.1
265.08545	1.3
268.07333	3.0
269.08115	9.0
273.11255	2.1
279.10245	1.4
281.11667	2.3
282.00729	2.2
283.09790	3.6
287.09744	1.7
289.06970	1.7
294.08810	1.4
297.11234	4.3
299.12869	3.1
301.10895	1.9
312.09778	1.4
323.12775	7.9
324.13379	1.4
341.13889	4.2
355.15582	2.9
365.17871	5.4
367.11801	23.3
368.12140	2.7
373.16513	3.1
385.12805	18.7
386.13223	1.7
399.14359	28.4
400.14664	4.4
417.14706	17.7
417.19998	100.0
418.05872	5.1
418.20337	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	416.0653
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01144	0.8
59.01379	9.1
61.57393	0.6
68.39690	0.6
69.99471	2.3
71.00999	0.9
71.01380	14.0
72.99299	2.4
73.02961	1.0
75.00870	18.1
79.95738	1.5
80.88142	0.6
85.02944	4.0
87.00876	1.6
89.02452	1.6
93.03445	2.9
95.01412	0.7
95.95227	0.9
96.96014	4.3
97.54443	0.6
99.00861	0.7
101.02439	2.5
109.02951	1.1
111.04483	0.8
113.02418	1.7
116.05058	80.0
117.05407	3.8
118.02612	0.7
120.01237	0.6
121.02939	6.8
122.03279	4.0
127.04048	0.7
128.05043	1.7
129.01930	7.6
130.06650	6.2
135.02971	1.7
135.04469	1.0
137.02431	0.8
144.04549	0.8
146.06111	8.0
156.04523	2.0
158.06114	3.0
172.04025	2.6
173.04553	3.6
174.05589	20.5
174.07077	1.2
175.05887	1.4
179.03453	1.2
188.76396	0.7
191.05615	13.1
192.05850	1.1
195.10147	0.6
247.06424	3.8
247.56534	1.1
248.06108	0.9
273.93875	0.8
281.23032	0.7
291.08679	0.9
336.10852	76.5
337.11230	7.5
399.18085	1.1
415.17865	9.5
416.06528	100.0
416.18268	15.3
417.06900	9.0
417.19391	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	417.119
Annotation	Pinocembrin 5-O-glucoside
Peak:m/z	Relative Intensity
50.73996	0.2
56.26507	0.3
59.01378	0.8
63.02391	1.8
65.00320	9.5
67.01865	0.3
68.99812	0.3
69.45004	0.5
69.45400	1.9
71.01368	0.7
83.01379	5.2
86.62305	0.3
89.65570	0.3
96.96004	3.7
98.19814	0.5
107.01384	15.1
108.99285	0.4
109.02911	0.3
113.02461	0.3
125.02449	0.9
133.02954	0.5
135.94473	0.3
137.02438	2.3
141.06998	0.3
143.05029	0.4
144.08484	0.3
145.06593	2.3
149.02415	0.6
149.99588	0.8
151.00359	39.8
152.00723	1.3
164.01114	0.8
165.01886	0.6
169.06566	1.1
170.90732	0.3
171.04488	2.3
172.05193	0.4
173.04518	0.5
177.01918	9.8
178.02226	0.3
183.08154	0.8
185.06061	1.1
187.07634	0.9
211.07639	2.7
213.05553	6.2
214.05940	0.4
220.97818	0.3
222.52922	0.3
223.07533	0.4
227.07103	1.0
237.05586	0.4
240.04340	0.6
253.05151	0.5
254.05814	1.3
255.06596	100.0
256.06918	7.9
267.06564	0.3
279.06619	0.9
297.07623	2.3
417.11865	67.2
417.19476	2.9
418.12210	8.0
418.18439	0.4
418.20117	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.2851
Annotation	CHEBI:68421
Peak:m/z	Relative Intensity
57.03446	0.5
59.01387	1.5
63.67230	0.3
71.04997	0.5
71.62451	0.5
80.02700	0.4
83.05007	1.0
93.02737	0.3
95.32210	0.3
96.96024	3.2
97.06572	1.2
137.09691	1.4
151.11345	0.5
271.20654	0.7
287.23776	0.4
302.30084	0.3
313.25424	0.5
323.23795	0.4
337.25397	0.8
339.23254	0.8
343.26349	0.4
353.28687	1.8
355.26480	4.0
356.26773	0.8
369.27841	2.7
371.29492	22.2
372.29822	3.0
385.27460	0.9
392.71725	0.4
397.27408	2.8
415.28503	100.0
416.28815	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	415.3062
Annotation	Unknow
Peak:m/z	Relative Intensity
56.09988	0.5
59.01376	100.0
60.01707	1.0
69.77452	3.5
72.81926	0.6
83.68263	0.7
89.42191	0.6
98.20576	1.3
112.98573	0.7
148.09027	0.6
252.36534	0.6
279.23389	1.5
323.05005	0.6
329.13235	0.6
415.32144	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	415.3062
Annotation	Unknow
Peak:m/z	Relative Intensity
53.30048	0.8
59.01377	100.0
60.01710	1.2
60.27984	0.8
70.61992	2.0
74.34908	0.7
83.84779	0.7
90.62695	0.7
96.95996	0.8
101.02448	3.3
121.00227	0.8
124.37203	0.9
161.04482	2.1
176.65179	0.7
180.42708	0.8
182.81367	0.7
253.21793	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	415.2311
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	2.7
60.54589	0.6
71.62040	0.5
71.62430	0.5
72.48278	0.6
74.99094	7.0
77.00661	69.3
77.01093	2.2
78.00938	0.8
83.89194	0.6
90.45953	0.5
130.73520	0.5
147.08101	1.9
149.09761	0.8
156.67519	0.5
161.09572	0.8
163.11203	2.6
176.69130	0.6
187.11208	2.1
191.05475	0.7
196.72145	0.6
279.13776	1.2
280.14517	1.5
309.22247	2.3
322.19257	0.6
335.20450	0.5
337.21701	100.0
338.22009	10.7
371.29684	1.0
415.23111	18.5
415.28198	1.2
416.23529	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.2334
Annotation	Unknow
Peak:m/z	Relative Intensity
54.38350	0.3
57.03424	0.3
59.01376	100.0
60.01706	1.2
61.98830	0.7
68.75533	0.3
71.01379	3.6
72.99294	0.7
73.02956	1.4
79.95724	1.6
83.01386	0.8
85.02928	2.3
89.02442	0.7
93.03462	1.0
95.95238	0.8
96.96001	2.8
97.03004	0.3
98.19819	0.7
98.95665	0.5
99.00872	0.4
101.02436	2.5
105.97095	0.3
113.02409	1.6
125.02455	0.6
135.04488	0.5
137.02412	0.7
137.78496	0.3
143.03554	0.4
156.12657	0.3
159.03018	0.4
161.02376	0.5
161.04538	1.3
173.04564	0.7
188.07074	0.4
191.05643	2.7
231.07008	0.6
239.06697	2.1
239.56958	0.6
240.06857	0.4
245.53375	0.3
277.03375	0.3
313.07007	0.4
339.09857	0.9
373.22198	2.7
379.16284	0.3
415.17953	22.6
416.18225	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.2155
Annotation	Unknow
Peak:m/z	Relative Intensity
53.83394	0.3
59.01374	2.8
71.01380	1.0
72.15527	0.4
73.02934	0.5
75.90485	0.3
79.95732	5.8
80.96541	0.5
85.02950	0.6
89.02438	0.5
93.03438	0.8
95.95215	0.7
96.27440	0.3
96.96007	100.0
98.95598	0.4
101.02417	0.7
103.47142	0.3
107.14967	0.3
110.97607	0.4
113.02468	0.4
115.33375	0.3
125.02444	1.1
135.04482	0.5
161.02419	0.5
168.00624	0.8
173.04527	1.3
179.03625	0.4
191.05609	3.2
232.81340	0.3
239.06715	2.4
239.56851	0.7
241.93510	1.0
303.19492	0.3
305.21219	1.1
330.20660	1.0
335.22318	0.3
372.75449	0.3
399.18317	0.4
415.17584	21.5
415.21640	65.0
416.17926	2.1
416.22375	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	415.197
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	1.4
57.03433	1.1
58.00586	2.0
59.01376	100.0
60.01704	1.2
61.98831	0.8
69.03460	1.8
71.01377	38.2
71.62273	0.7
72.99313	1.6
73.02944	65.2
74.03285	0.8
75.00886	1.1
79.95735	1.5
83.01383	17.8
85.02956	4.9
87.00891	1.7
89.02438	9.6
93.03454	1.2
95.01385	1.8
96.96008	20.4
97.02987	1.0
99.00877	1.4
101.02438	49.5
102.02785	1.0
108.07079	0.7
113.02444	10.7
119.03475	2.9
120.99593	0.8
125.02422	2.6
131.03450	2.6
133.02931	0.9
143.03476	3.3
147.11743	2.5
149.04556	3.0
155.03461	1.0
161.02434	1.3
161.04543	9.7
161.47917	0.6
179.03383	1.0
191.05589	3.7
193.12321	33.2
194.12589	2.2
203.05608	0.8
221.06590	0.6
261.66580	0.6
318.35114	0.6
355.17563	1.5
355.24615	1.1
373.18546	4.1
415.17786	52.1
416.18042	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	415.2158
Annotation	Unknow
Peak:m/z	Relative Intensity
57.69054	0.5
59.01378	23.0
59.67617	0.4
61.82975	0.5
61.98817	1.8
63.50916	0.4
71.01373	4.8
73.02933	2.2
73.25952	0.4
75.00865	0.7
79.95736	3.4
83.01395	1.3
85.02956	3.2
87.00877	0.7
89.02425	2.2
92.80521	0.4
93.03455	0.9
95.01402	1.1
95.95276	0.7
96.96008	88.5
98.95576	0.5
99.00867	0.8
101.02435	2.1
105.30570	0.4
113.02451	3.9
119.03516	0.8
122.33732	0.5
126.27985	0.5
128.03497	0.8
135.04514	0.5
137.02420	1.1
142.14798	0.5
151.03975	0.6
161.02455	0.6
161.04576	1.0
165.02031	0.6
173.04556	0.9
181.33925	0.5
188.04765	0.4
191.05573	2.9
193.12325	1.0
219.07263	0.5
240.39200	0.4
267.07227	10.0
267.09875	0.7
415.21951	100.0
416.22278	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	415.1794
Annotation	Unknow
Peak:m/z	Relative Intensity
57.16538	0.3
59.01379	7.0
69.88615	1.2
69.89034	0.5
71.01385	1.1
79.95737	4.3
85.02966	0.7
89.02432	0.4
93.03468	0.8
95.95219	2.6
96.96008	2.5
98.95621	0.4
101.02427	0.6
110.97559	0.5
113.02522	0.5
113.67541	0.4
125.02421	0.4
137.02422	0.4
140.57709	0.3
159.80031	0.4
161.02435	0.5
164.25105	0.4
173.04572	1.1
179.03403	0.4
191.05632	2.3
311.56140	0.4
323.13275	0.9
367.15903	0.5
369.17477	0.8
397.16791	2.0
415.17932	100.0
416.18140	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	415.1793
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	0.2
59.01377	3.3
61.67886	0.2
69.36228	2.0
71.01385	0.7
72.99278	0.2
73.02946	0.3
79.95737	6.3
85.02927	0.5
89.02436	0.3
93.03426	0.4
95.95224	1.3
96.35946	0.2
96.96008	4.0
98.95575	0.4
101.02442	0.4
109.96794	0.4
125.02439	0.6
137.02376	0.4
141.95746	0.8
147.63333	0.2
151.00690	2.7
173.04533	0.4
191.05600	1.3
195.51245	0.3
200.16467	0.2
218.06178	0.3
219.06955	0.2
231.06953	1.2
238.05878	0.3
239.04372	0.5
239.06697	6.6
239.56796	1.4
240.06682	0.4
339.12680	0.5
369.17465	0.3
385.16830	1.9
397.16931	0.7
415.17920	100.0
416.18253	11.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.1793
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01536	0.2
58.54515	0.3
58.82696	0.2
59.01364	0.9
70.17809	0.2
71.01360	0.4
71.07326	0.4
71.07669	0.3
78.81836	0.2
79.95724	3.5
85.02969	0.3
93.03450	0.4
95.95238	0.8
96.95995	1.3
116.89880	0.2
126.02969	0.2
128.18036	0.2
138.88078	0.2
173.04448	0.3
191.05515	1.2
195.98050	0.2
311.12985	0.3
341.14307	0.6
354.25806	0.2
397.16910	0.5
398.17612	0.3
415.17926	100.0
415.65912	0.3
416.18250	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	415.1793
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	1.2
69.39892	2.2
71.01385	0.4
74.60024	0.2
75.97839	0.2
77.50882	0.3
79.02582	0.3
79.95739	2.1
85.02931	0.2
93.03455	0.4
94.69045	0.3
95.95233	2.5
96.96011	3.7
97.36346	0.3
110.97620	0.4
123.93724	0.2
129.80444	0.3
132.04532	0.5
137.57875	0.2
163.03986	0.4
164.89256	0.3
178.06477	0.3
190.00705	0.2
191.05534	1.0
211.09662	0.7
372.09109	0.4
397.16861	0.5
415.17908	100.0
416.18253	11.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.1794
Annotation	Unknow
Peak:m/z	Relative Intensity
57.16538	0.3
59.01379	7.0
69.88615	1.2
69.89034	0.5
71.01385	1.1
79.95737	4.3
85.02966	0.7
89.02432	0.4
93.03468	0.8
95.95219	2.6
96.96008	2.5
98.95621	0.4
101.02427	0.6
110.97559	0.5
113.02522	0.5
113.67541	0.4
125.02421	0.4
137.02422	0.4
140.57709	0.3
159.80031	0.4
161.02435	0.5
164.25105	0.4
173.04572	1.1
179.03403	0.4
191.05632	2.3
311.56140	0.4
323.13275	0.9
367.15903	0.5
369.17477	0.8
397.16791	2.0
415.17932	100.0
416.18140	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	415.1793
Annotation	Unknow
Peak:m/z	Relative Intensity
52.44264	0.3
59.01372	3.0
66.36776	0.3
69.48884	1.5
69.49304	1.2
71.01362	1.8
73.02921	1.2
76.05819	0.3
77.12236	0.3
79.95727	1.9
89.02432	4.6
95.95211	2.1
96.96007	4.0
98.19776	0.5
99.00873	1.4
101.02457	2.0
101.03027	0.4
131.03491	0.8
149.04549	2.7
161.02371	0.4
161.04578	0.4
191.05614	0.8
200.76266	0.3
210.82556	0.4
341.14200	0.5
397.16992	0.9
415.17917	100.0
416.18234	11.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.1794
Annotation	Unknow
Peak:m/z	Relative Intensity
53.37787	0.2
59.01371	0.9
69.39813	1.7
70.42850	0.2
73.02951	0.6
79.95735	5.0
80.96497	0.6
95.95224	3.1
96.96004	3.7
106.74292	0.2
113.66101	0.2
114.90871	0.2
161.02397	0.2
167.00195	0.4
191.05530	0.6
203.03847	1.8
205.05467	0.4
218.60973	0.2
235.06477	1.2
238.58163	0.2
263.25290	0.3
341.14233	3.0
342.14807	0.3
355.15781	0.5
369.17371	0.4
397.16803	0.4
415.17920	100.0
416.18234	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	415.1792
Annotation	Unknow
Peak:m/z	Relative Intensity
51.71842	0.2
59.01373	1.0
59.71401	0.2
70.84386	0.2
71.01363	1.2
71.61275	0.3
72.68514	0.2
72.99301	1.3
73.02946	0.2
73.68095	0.2
75.00871	1.2
79.95734	8.1
80.96521	0.4
84.04568	0.2
85.02956	0.6
87.00869	0.2
89.02425	0.4
93.03452	0.5
95.95226	3.3
95.95794	0.3
96.96003	3.4
101.02448	0.3
104.97024	0.2
109.02961	0.5
111.04581	0.2
116.05053	4.0
121.02953	1.0
127.04195	0.2
129.01932	0.3
130.06586	0.3
135.02988	0.7
135.04573	0.3
137.02417	0.2
141.95744	0.5
146.06058	0.3
149.02344	0.2
151.00677	0.4
152.01198	0.2
153.01941	0.3
163.03940	0.2
173.04546	0.8
174.05553	1.2
179.03473	0.3
191.01880	0.3
191.05624	3.3
219.06949	0.9
233.08455	0.5
233.36662	0.2
247.06436	3.4
247.56567	0.4
271.10092	0.8
289.07074	0.3
311.13138	0.5
336.10812	4.3
341.14261	0.6
355.15594	0.4
367.15756	0.3
397.16779	0.5
415.17908	100.0
416.06546	5.2
416.18237	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	415.1609
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03430	2.1
58.00590	0.9
58.93353	0.5
59.01377	22.0
61.98825	4.4
67.46240	0.5
68.99804	0.7
69.03436	1.0
70.94250	0.5
71.01378	21.1
71.62099	0.7
72.99312	3.5
73.02933	1.3
75.00875	12.5
79.95721	0.9
81.03439	0.5
83.01381	1.0
85.02435	1.0
85.02950	19.3
87.00871	8.1
89.02436	6.6
91.03992	0.7
93.03446	1.0
95.01392	4.3
96.96000	7.4
98.95583	4.3
98.96159	0.5
98.96432	0.5
99.00878	6.4
101.02435	2.1
103.00365	1.7
109.02863	0.6
111.00885	0.8
112.01664	0.7
113.02444	28.7
115.00317	0.6
117.01913	2.0
121.10229	9.9
123.04507	0.5
127.03950	0.6
129.01924	1.9
131.03583	0.6
135.04510	1.0
137.02443	0.5
147.08142	1.0
165.09195	4.6
173.04486	0.7
175.02509	1.6
191.05675	2.8
207.05034	1.2
208.07558	0.5
223.07954	0.6
249.06125	16.8
250.06390	0.9
267.07184	100.0
268.07611	5.1
415.16788	10.0
415.23270	0.7
416.18399	1.2
438.59781	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.1089
Annotation	Unknow
Peak:m/z	Relative Intensity
53.34138	0.4
59.01380	3.8
61.98820	3.5
66.80746	0.5
67.01884	0.5
70.27369	1.8
71.01382	3.1
72.99300	3.9
73.02942	0.5
79.77530	0.4
85.02952	8.2
87.00865	1.4
89.02446	2.4
93.03458	3.3
96.67947	0.4
96.95962	0.4
99.04469	0.6
101.02417	1.5
101.91042	0.5
106.99216	0.4
109.02958	1.0
111.04515	1.2
113.02454	0.8
119.03492	0.8
119.46447	0.4
125.02448	0.6
127.03979	2.1
135.04517	1.5
149.02399	0.8
171.02959	0.8
173.04533	1.7
179.03484	0.6
179.05647	0.8
183.94656	0.5
187.09224	0.4
191.05595	100.0
192.05986	2.9
341.10913	3.8
353.08725	4.3
391.52176	0.5
397.15485	0.4
415.14209	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	415.1246
Annotation	Unknow
Peak:m/z	Relative Intensity
56.61385	0.4
57.03450	0.4
59.01375	37.9
60.01713	0.4
71.01383	1.1
72.99292	0.7
75.00861	0.4
79.95735	5.1
81.03435	1.5
83.01376	1.6
85.02940	1.5
87.00870	0.5
91.01869	0.8
93.03452	2.3
95.95206	3.1
96.96004	7.4
97.02908	0.5
98.95617	0.5
101.02402	0.7
109.02934	0.6
121.02966	1.4
123.04521	16.7
125.02378	2.0
135.04459	0.6
137.02422	1.9
139.03958	0.6
149.02411	0.8
151.00449	0.6
151.03998	23.1
152.04306	0.7
161.02406	0.5
163.04010	0.5
165.01823	0.6
167.03482	44.9
168.03850	2.2
171.27020	0.3
173.04553	1.4
175.00288	0.5
177.50140	0.3
179.03406	0.6
180.04240	0.6
181.05038	1.2
191.03476	10.1
191.05565	6.4
192.03819	0.5
209.04543	3.4
219.06967	0.5
221.04593	1.3
229.07422	0.5
247.06494	0.5
317.21152	0.4
345.13867	0.5
371.09821	4.8
372.10175	0.6
388.24255	0.4
397.16821	1.7
415.17929	100.0
416.18243	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	413.2905
Annotation	Unknow
Peak:m/z	Relative Intensity
56.56289	0.4
57.01994	0.4
59.01377	100.0
60.01713	1.3
69.95388	0.8
69.95799	1.4
80.21686	0.4
89.50107	0.4
105.98746	0.4
192.51018	0.4
195.86046	0.4
256.80273	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.2904
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	100.0
60.01725	1.6
71.06850	1.3
71.07193	0.9
81.03108	0.7
81.65513	0.8
81.84216	0.7
82.08591	0.8
117.00453	0.8
206.42061	1.0
301.24969	1.0
360.27646	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.2001
Annotation	Unknow
Peak:m/z	Relative Intensity
50.71025	0.5
59.01373	0.7
61.98785	0.5
71.01386	0.4
75.00830	0.5
78.41176	0.4
79.95739	3.3
96.96005	100.0
174.94386	0.5
239.06659	2.2
371.16187	0.5
383.00671	0.5
413.20041	76.8
414.20316	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	413.2177
Annotation	Unknow
Peak:m/z	Relative Intensity
53.88405	0.2
54.07333	0.2
55.01874	1.1
56.45247	0.3
57.03450	1.3
58.00574	0.3
59.01376	100.0
60.01723	1.4
63.09416	0.2
64.70132	0.2
71.01378	9.8
71.39109	0.3
72.99310	0.3
73.02945	3.0
83.01386	1.8
83.82379	0.2
85.02947	5.1
87.00906	0.4
89.02450	2.3
95.01411	1.0
96.96000	5.6
96.96589	0.4
99.00840	1.2
101.02435	6.9
113.02442	4.0
114.34985	0.2
119.03508	0.3
125.02432	0.4
127.60515	0.3
137.09721	0.3
143.03615	0.5
159.02991	0.6
161.02438	0.3
161.04558	2.6
164.78372	0.2
168.25484	0.3
173.04762	0.2
209.15466	1.7
214.57678	0.2
348.57996	0.3
353.19672	2.6
353.23062	0.3
371.20712	11.7
372.21112	1.3
413.16315	0.6
413.20456	4.8
414.20816	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.2001
Annotation	Unknow
Peak:m/z	Relative Intensity
53.63268	0.5
59.01374	4.0
63.52774	0.5
63.79967	0.4
69.33843	4.2
71.01393	0.6
79.03896	0.5
79.95729	2.6
96.96005	100.0
97.21301	0.5
98.95586	2.9
137.02444	1.0
179.03603	0.6
183.17937	0.6
191.05579	0.6
220.70834	0.5
301.17975	2.7
333.20834	1.5
348.59952	0.5
413.20203	88.2
414.15302	0.6
414.20453	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	413.1998
Annotation	Unknow
Peak:m/z	Relative Intensity
56.73640	0.3
59.01376	32.3
60.01720	0.4
61.98829	0.6
67.11806	0.4
71.01389	1.8
71.62535	0.4
72.30452	0.4
73.02959	0.6
79.95734	2.6
85.02957	1.3
89.02413	0.4
90.21620	0.3
93.03468	0.5
96.96004	100.0
101.02438	1.3
101.62575	0.4
113.02471	0.7
114.07318	0.4
133.02904	0.5
135.04539	0.7
137.02448	0.8
151.21281	0.4
161.02495	0.7
161.04533	0.5
172.62280	0.4
173.04573	0.8
191.05653	1.0
239.06711	2.1
239.56967	0.4
353.23715	0.5
371.20789	1.0
381.17065	0.4
381.56912	0.4
401.93338	0.4
413.20114	99.1
414.20428	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	413.2002
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	2.0
63.43974	0.2
71.01357	0.4
71.61958	0.4
79.95735	2.4
96.96006	100.0
98.95565	0.9
140.31570	0.2
219.21957	0.2
229.67859	0.2
273.56885	0.2
413.20016	83.1
414.20291	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	413.1999
Annotation	Unknow
Peak:m/z	Relative Intensity
54.44920	0.2
59.01377	2.1
60.93573	0.2
61.98819	0.9
63.51216	0.2
71.01376	0.8
72.99288	0.2
73.02922	0.3
75.00864	0.3
79.85978	0.2
79.95735	2.3
85.02937	0.7
95.95232	0.3
96.96005	100.0
97.95901	0.3
98.95592	0.2
101.02418	0.6
110.32459	0.2
113.02367	0.3
117.70821	0.2
135.04466	0.3
161.02505	0.5
165.01881	0.3
173.04605	0.3
191.05525	0.3
192.05695	0.2
199.31671	0.2
210.90540	0.2
229.67860	0.3
238.54941	0.2
243.02831	0.2
251.19409	0.2
305.17661	0.3
320.92822	0.2
369.17386	0.3
413.20071	90.3
414.20367	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	413.2
Annotation	Unknow
Peak:m/z	Relative Intensity
52.82253	0.2
59.01090	0.3
59.01376	4.1
61.98804	0.4
69.17915	0.2
71.01360	0.6
79.95735	2.4
85.02950	0.4
89.02456	0.3
93.03418	0.3
96.96003	100.0
97.95944	0.5
101.02422	0.4
113.02420	0.5
123.04991	0.2
133.03046	0.2
137.02470	0.3
161.02444	0.5
173.04550	0.3
191.05624	0.3
303.19788	0.3
333.20728	0.9
338.10367	0.2
378.37265	0.2
413.20154	79.1
414.20468	9.7
414.25989	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.1637
Annotation	Unknow
Peak:m/z	Relative Intensity
52.81012	0.2
59.01378	3.4
61.98811	0.6
71.03980	0.3
79.95727	2.2
80.35165	0.3
85.02914	0.3
93.03452	0.4
96.96001	100.0
98.19866	0.7
118.41540	0.2
125.02493	0.3
134.97621	0.3
137.02470	0.3
144.23657	0.2
161.02486	0.4
191.05576	0.3
303.19861	0.6
333.20865	1.1
369.17920	0.4
395.15689	0.7
413.20316	60.5
414.16196	0.7
414.20612	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	413.1637
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	3.7
61.98831	0.4
75.99901	0.3
79.95726	1.8
96.96006	100.0
98.95599	0.3
100.23445	0.3
105.36108	0.3
106.00488	0.3
135.04529	0.5
137.02469	0.5
154.43959	0.3
154.77917	0.2
175.83902	0.3
179.03516	0.4
191.05687	0.3
212.92326	0.2
219.02907	0.4
247.15036	0.3
258.31796	0.3
303.19696	0.8
328.05185	0.3
333.20984	1.1
369.17654	0.5
395.15329	0.4
413.20291	66.7
414.20627	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	413.1638
Annotation	Hymatoxin A
Peak:m/z	Relative Intensity
55.41376	0.2
57.03434	0.2
59.01376	2.7
59.32509	0.2
61.98815	0.5
69.79892	0.5
69.80303	0.6
71.01385	1.0
73.02946	0.4
79.95734	5.2
80.96498	1.0
93.03463	0.3
95.95226	2.0
96.96010	5.6
98.64157	0.2
107.27682	0.2
108.02188	0.2
110.97585	0.5
115.01028	0.2
118.02772	0.2
119.05051	0.2
121.02934	0.8
124.95546	0.2
125.02451	0.3
128.03549	0.3
135.04514	0.8
137.02415	0.3
141.95699	0.3
161.02420	0.5
167.00154	0.4
173.04617	0.2
179.03496	0.2
189.05403	0.2
191.05688	0.3
203.03815	1.2
219.41681	0.2
235.06451	0.9
239.06723	0.3
257.19052	0.4
285.18402	0.7
303.19626	1.5
304.19644	0.2
341.14206	5.0
342.14743	0.6
353.23303	0.5
355.15744	0.2
385.16806	0.4
391.11575	0.2
413.16339	100.0
414.16718	10.5
414.22089	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.1449
Annotation	Unknow
Peak:m/z	Relative Intensity
52.21323	0.3
55.01876	0.5
57.74284	0.3
59.01382	4.0
61.03413	0.3
64.44421	0.4
67.88214	0.3
69.55370	1.6
69.55785	0.6
71.01376	3.7
73.02940	1.7
79.95734	0.6
83.01379	0.7
85.02949	2.0
89.02445	1.0
93.03470	0.6
95.01390	0.4
95.95274	0.4
96.96024	1.0
98.20631	0.4
99.00914	0.6
101.02427	2.8
105.03506	0.8
107.05002	0.4
113.02463	1.2
117.03468	0.8
123.04513	0.6
132.02191	1.3
133.02951	30.3
134.03699	0.7
135.04523	7.6
137.02438	0.8
161.02432	100.0
162.02760	5.0
165.05560	2.7
171.86258	0.3
173.04593	0.4
177.01759	0.4
179.03505	3.5
191.05630	0.9
249.07596	0.6
255.09296	0.4
323.13144	0.7
377.14526	0.4
413.14474	73.0
414.14801	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	413.145
Annotation	Unknow
Peak:m/z	Relative Intensity
52.87711	0.3
55.01875	0.3
57.03464	0.6
59.01382	3.5
61.42810	0.3
70.62578	0.8
71.01385	3.0
73.02952	1.2
73.08693	0.3
78.20419	0.3
80.14986	0.3
83.01393	0.9
85.02955	2.0
87.00827	0.4
89.02443	1.0
93.03469	0.5
95.95254	0.6
96.96002	0.7
99.00869	0.3
101.02422	2.5
105.03493	0.3
111.31787	0.4
113.02441	1.4
117.03478	0.8
123.04511	0.5
125.48255	0.3
132.02165	1.4
133.02951	28.9
134.03311	1.0
135.04520	6.7
137.02420	0.7
161.02435	100.0
162.02789	4.1
165.05550	1.8
173.04536	0.4
179.03484	3.1
191.05577	0.9
197.39844	0.3
244.20790	0.3
323.13104	0.6
324.79877	0.4
413.14468	66.2
414.14798	7.3
418.04892	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.2748
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	100.0
65.56528	0.7
69.09621	0.8
71.38918	1.1
78.64045	0.8
83.73206	0.7
97.60864	0.8
100.70634	0.8
147.65346	0.7
162.37877	0.7
183.59111	0.8
189.38068	0.8
193.54442	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	412.1822
Annotation	Unknow
Peak:m/z	Relative Intensity
53.38248	0.3
59.01377	3.3
61.98827	100.0
71.01383	0.7
71.12016	0.8
75.00861	0.4
85.02927	0.4
87.57681	0.3
89.02425	0.5
93.03474	0.4
96.96020	1.1
101.02438	0.4
123.04496	0.3
159.14182	0.3
165.23967	0.3
173.04567	0.4
176.01096	1.4
179.05562	0.5
181.62912	0.2
187.55424	0.3
191.03531	1.8
191.05618	1.1
200.47099	0.3
206.58777	0.3
240.03204	0.3
240.07576	0.8
240.57727	0.4
284.06680	0.4
301.65753	0.3
301.69049	0.4
322.06491	0.4
344.01486	0.4
412.07990	0.7
413.16254	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	413.1087
Annotation	Unknow
Peak:m/z	Relative Intensity
52.27044	0.5
52.33183	0.5
56.07680	0.5
57.03434	0.5
59.01376	35.9
60.85075	0.5
61.98827	17.5
69.71130	2.4
69.71539	1.2
71.01378	2.2
72.99312	2.3
73.02940	0.8
75.00875	3.3
85.02937	1.2
85.06583	0.6
87.00883	1.6
93.00353	0.5
93.03452	1.5
96.96004	0.9
99.00866	0.8
101.02456	1.4
104.02661	3.6
109.02911	0.7
113.02436	1.0
119.05009	1.4
122.54849	0.6
125.02489	1.0
133.02927	1.1
133.24088	0.6
135.04515	1.7
143.03561	0.5
145.02911	0.7
148.01653	7.6
161.02431	1.3
161.04593	0.8
163.04013	1.0
173.04535	1.3
176.01132	67.1
177.01512	3.3
179.03963	0.8
179.05606	7.1
179.07129	0.7
183.64421	0.5
185.38321	0.5
189.05724	0.6
191.03496	100.0
191.05376	4.3
192.03845	5.7
196.67111	0.5
207.08875	1.2
209.08224	1.0
240.07492	0.9
241.07368	0.5
267.07263	2.8
351.07117	0.8
353.08633	0.7
353.18039	0.5
413.11389	0.7
413.16159	3.4
414.16699	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.1844
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	1.3
61.98809	0.3
69.47491	0.8
69.47919	1.1
71.01370	0.4
73.31910	0.2
74.08946	0.2
79.95724	2.0
85.02977	0.3
93.03444	0.4
95.95210	0.3
96.96008	100.0
97.95953	0.3
98.20688	0.4
134.03735	0.4
135.04504	0.4
137.02399	0.3
149.02452	0.3
159.83156	0.2
161.02383	0.3
163.69403	0.3
173.04532	0.4
179.03462	0.3
191.05577	0.5
230.01849	0.2
236.14369	0.2
319.58667	0.3
331.24643	0.4
411.18506	70.8
412.18823	9.8
412.24423	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.2053
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	16.7
66.90985	0.2
68.29182	0.2
69.39844	1.2
69.40273	0.8
71.01373	1.0
73.02925	0.4
79.95735	2.1
85.02943	0.2
87.00877	0.6
93.03449	0.4
96.96004	100.0
97.06564	0.2
101.02437	0.5
129.01978	0.5
129.09253	0.4
135.04521	0.8
173.04546	1.4
198.34956	0.3
206.69009	0.3
208.70491	0.3
231.14020	0.4
237.07664	1.5
269.94952	0.2
271.22757	1.7
292.19513	0.2
313.23978	0.5
331.24841	5.8
331.28516	0.3
332.25150	0.6
349.20474	4.3
349.24805	0.3
350.21164	0.5
351.18433	3.5
352.18781	0.4
411.20630	59.7
412.21014	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	411.2054
Annotation	Unknow
Peak:m/z	Relative Intensity
56.36739	0.2
57.03436	0.2
59.01377	15.6
61.98805	0.4
71.01369	0.7
72.99293	0.2
73.02941	0.5
74.47944	0.2
75.00871	0.3
79.95742	2.0
85.02944	0.5
87.00874	0.7
89.02441	0.4
93.03452	0.5
96.96006	100.0
97.95921	0.3
99.08139	0.3
101.02460	0.5
113.02461	0.4
113.24517	0.2
119.54972	0.2
129.01942	0.6
129.09193	0.4
135.04523	0.7
142.88248	0.2
161.04556	0.2
173.04546	1.3
174.96564	0.2
179.03534	0.5
191.05565	0.3
231.14027	0.5
237.07678	2.0
271.22775	1.9
313.24121	0.6
331.24872	5.4
331.28516	0.3
332.25348	0.4
349.20520	3.9
351.18430	3.0
352.19031	0.3
411.20621	58.8
412.20984	6.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.1842
Annotation	3-beta-hydroxy-20-oxopregn-5-en-17-alpha-yl sulfate
Peak:m/z	Relative Intensity
59.01385	1.1
71.01392	0.3
71.57914	0.3
78.60629	0.2
79.95740	2.3
83.05029	0.8
88.65936	0.2
89.81828	0.2
92.24834	0.2
93.03440	0.4
95.95210	0.2
96.96005	100.0
97.06567	0.2
97.95938	0.3
109.55270	0.2
117.85914	0.2
122.74239	0.2
135.04530	0.8
151.03981	0.2
161.02440	0.3
173.04546	0.5
179.03465	0.5
191.05602	0.8
231.06898	0.4
239.06683	1.6
239.56781	1.1
240.06767	0.3
306.58365	0.2
316.01242	0.3
329.03113	0.3
331.03445	0.3
353.47043	0.2
402.41653	0.2
411.18439	89.6
411.77402	0.6
412.14621	0.4
412.18768	9.7
413.62241	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.1511
Annotation	Unknow
Peak:m/z	Relative Intensity
55.52563	1.0
57.03431	1.6
59.01377	70.8
61.98829	28.8
67.01891	1.8
69.03428	1.9
69.76569	4.9
71.01373	18.1
72.99313	3.1
73.02951	3.8
75.00878	1.8
79.95748	1.2
81.03457	1.5
83.01391	2.4
83.05020	1.7
85.02939	10.8
85.06584	100.0
86.06938	2.3
87.00871	18.8
87.04510	45.1
88.04852	1.5
89.02436	15.4
91.34107	1.0
93.03442	8.0
95.01408	2.4
96.96001	9.9
99.00846	1.9
101.02438	13.9
101.06085	3.9
109.02947	3.8
111.04530	3.5
113.02448	14.6
113.06077	17.9
114.02711	1.0
115.04044	1.1
119.03514	7.3
119.05038	2.2
121.29191	1.0
123.04536	2.1
125.02462	5.5
129.05563	16.3
133.02972	1.5
134.03624	1.3
134.89621	0.9
135.04533	4.9
136.04732	1.0
137.02428	1.8
139.03983	2.5
143.03500	1.2
149.02428	5.7
151.04065	1.1
156.03729	0.9
159.06598	1.0
161.02452	2.5
161.04539	7.6
161.05943	2.0
162.94351	1.0
163.03986	1.4
173.04543	7.0
174.04865	1.5
175.03915	2.4
177.01888	1.8
179.03453	2.8
179.05597	3.1
179.07030	1.0
187.03931	1.1
189.05952	1.9
189.07671	34.1
190.08005	1.4
191.05602	23.6
192.05998	3.2
201.01797	1.2
204.04193	1.4
215.03365	1.3
217.04913	1.5
240.07463	13.8
240.57637	3.0
243.06386	1.1
249.07628	2.0
249.09914	1.9
249.13301	1.4
267.07269	3.2
279.14548	3.4
285.04086	3.8
313.61014	0.9
351.19199	1.8
375.07068	2.3
383.18967	3.7
401.61826	2.6
411.07141	14.8
411.19092	5.8
411.61142	0.9
412.07721	2.6
412.18890	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.1507
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	0.8
57.03440	2.2
59.01375	65.0
60.01688	1.6
61.31408	0.8
61.98829	11.5
67.01881	1.3
69.03450	1.0
71.01373	19.7
71.60966	1.3
71.61366	0.8
72.99306	4.5
73.02918	2.5
75.00854	1.2
79.95719	0.9
81.03431	1.0
83.01379	1.2
83.04998	1.2
85.02943	8.1
85.06583	100.0
86.06908	2.7
86.12759	0.9
87.00865	16.5
87.04506	45.3
89.02436	14.6
93.03434	7.4
95.01379	2.4
95.05021	1.1
96.95996	7.0
97.02935	1.1
97.06594	1.1
99.00876	1.4
99.04514	1.7
101.02431	12.4
101.06089	5.6
107.05037	1.6
108.02162	0.9
109.02976	4.0
111.04496	4.0
113.02444	14.7
113.06076	16.1
115.03986	1.0
119.03503	8.1
119.05002	2.2
121.02933	1.0
123.04510	2.1
125.02440	6.8
127.03960	1.4
128.03459	1.0
129.05571	19.9
133.02927	2.1
134.03699	1.1
135.04517	7.1
137.02388	2.3
139.04039	2.0
141.05644	1.4
143.03444	1.5
147.04457	0.9
149.02455	5.3
149.04591	1.1
149.05931	1.5
155.03430	1.0
155.36531	0.9
159.06499	1.0
161.02412	3.1
161.04543	8.1
163.04012	3.0
171.06543	1.0
173.04533	8.2
174.04840	1.1
175.03928	2.4
177.01910	1.4
179.03374	2.1
179.05609	3.2
187.03908	0.8
189.07661	34.6
190.02875	0.9
190.08037	1.2
191.05592	25.6
191.32445	0.9
192.05930	3.4
195.06689	1.1
204.04248	1.8
205.08652	1.5
217.05043	0.9
233.06647	1.9
240.07425	16.6
240.57634	4.3
241.07387	1.7
243.05859	1.1
247.06404	1.4
249.07498	2.4
249.09808	2.8
257.04520	1.3
267.07211	4.2
279.14444	2.4
285.04010	3.8
300.50964	0.9
305.01312	1.0
375.06927	2.2
383.18918	2.5
401.61752	1.5
411.07147	18.0
411.18851	5.4
412.07675	2.5
412.18103	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2357
Annotation	1-Palmitoylglycerol 3-phosphate
Peak:m/z	Relative Intensity
65.11330	0.2
65.15666	0.2
70.36028	1.1
75.74722	0.2
78.95900	71.6
81.84845	0.2
86.48190	0.2
96.96958	5.6
133.87582	0.2
150.98026	1.7
152.99577	100.0
153.99925	1.5
165.45349	0.3
171.00676	2.3
230.38284	0.3
255.23250	2.1
263.89151	0.3
295.99707	0.2
409.23566	18.9
410.23926	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	408.1791
Annotation	Unknow
Peak:m/z	Relative Intensity
50.24705	0.3
56.98200	0.3
59.01381	0.7
61.98827	100.0
69.06991	0.3
71.01401	0.4
98.20731	0.6
118.91621	0.3
123.99267	0.3
125.09753	0.4
137.09680	0.5
165.98010	0.3
209.11771	1.0
219.10049	0.3
307.19199	1.9
332.30685	0.4
409.18848	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.1137
Annotation	Unknow
Peak:m/z	Relative Intensity
53.58312	0.9
59.01375	100.0
67.01878	3.5
70.73427	1.7
70.73763	2.4
71.01365	3.9
73.34283	1.1
81.03488	1.7
83.05016	2.2
85.02941	5.9
87.00853	3.6
91.30055	1.2
93.03446	32.3
94.03757	1.3
99.00886	1.3
105.53305	1.3
109.02936	2.3
111.00853	1.5
111.04502	8.4
117.03425	2.4
123.38569	1.2
127.03986	3.2
132.02122	4.7
133.02950	3.9
134.03729	54.3
134.18002	1.0
135.04166	1.2
137.02435	13.2
149.06064	9.1
155.03488	10.3
160.01642	25.5
161.02148	1.7
173.04538	75.8
173.05971	5.0
174.04855	3.0
175.03973	22.7
176.04343	1.6
177.01912	2.0
191.05592	98.7
192.05878	2.9
193.05032	39.1
194.05421	1.9
215.05663	3.2
217.05008	5.0
233.06627	81.3
234.07050	5.3
235.06090	1.5
273.55057	1.2
334.06757	2.1
349.09192	63.4
350.09604	4.2
409.11459	5.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.1137
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	0.9
59.01374	92.9
60.01707	1.3
60.99294	1.1
61.98848	1.1
63.03811	0.7
67.01873	2.4
69.46390	4.8
69.46796	1.6
71.01366	3.4
73.02867	0.7
80.69430	0.8
81.03429	1.9
82.40405	0.7
83.05022	1.7
85.02945	4.6
87.00876	3.5
93.03453	36.1
94.03777	1.1
96.95965	1.1
102.41489	0.8
109.02940	2.7
111.04514	4.4
117.03427	1.9
120.64701	0.7
125.02426	0.7
127.04000	2.5
129.01865	0.8
132.02148	1.8
133.02946	4.4
134.02702	1.6
134.03731	31.2
135.04436	1.9
137.02429	26.7
138.02782	1.7
149.06033	5.5
155.03510	10.7
160.01654	12.8
161.02368	1.7
166.58186	0.8
173.04533	86.5
173.05904	3.0
174.04875	3.7
175.03992	13.2
176.04326	1.2
179.03506	1.1
191.05592	46.2
192.05896	2.3
193.05049	22.8
194.05338	1.3
214.66008	0.8
215.05560	1.2
217.04967	1.6
228.72495	0.8
233.06631	100.0
234.07011	4.3
238.43755	0.8
334.06967	1.8
349.09222	32.4
350.09549	2.3
401.11597	2.2
409.11288	5.2
410.11801	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.2435
Annotation	Dimethamine
Peak:m/z	Relative Intensity
59.01088	0.5
59.01372	5.5
61.98814	2.6
69.94579	1.6
72.45198	0.3
75.00877	0.5
79.57967	0.3
96.96033	0.6
101.46212	0.3
101.54469	0.4
123.08166	0.4
132.74979	0.3
143.22824	0.3
161.04713	0.4
191.05656	0.4
227.03539	0.5
243.02905	0.7
255.02928	2.1
256.03729	0.9
257.04498	0.4
269.04160	0.4
269.18927	0.4
270.36737	0.4
285.04025	0.5
313.18103	2.0
327.19565	0.6
329.21176	33.2
330.21585	3.4
345.24304	36.9
346.24570	5.0
347.18564	2.4
363.25375	8.5
364.25711	0.8
369.13364	0.4
389.23282	4.6
390.23926	0.5
407.07654	3.5
407.24341	100.0
408.07990	0.5
408.24725	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	408.1789
Annotation	Unknow
Peak:m/z	Relative Intensity
57.24099	0.7
57.28580	0.6
59.01377	2.6
60.44104	0.7
61.98825	100.0
66.40334	0.7
69.73197	1.7
69.73615	3.3
92.42438	0.7
96.96021	2.0
116.39838	0.7
116.57005	0.7
125.19276	0.7
140.95596	0.7
152.99498	1.1
159.74518	0.7
408.07935	1.7
408.15686	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	407.174
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	3.3
59.01380	8.4
61.98826	11.8
71.01350	1.5
71.61866	1.3
71.62284	1.4
73.02923	1.0
79.95734	23.7
80.96514	32.5
93.03449	1.2
96.96004	34.2
97.06547	1.1
107.04978	0.9
107.38323	1.0
113.09724	6.3
123.08158	1.0
125.09733	8.2
127.11253	3.9
134.03697	0.9
137.02420	4.8
137.09688	2.7
147.15671	0.9
151.11263	1.1
155.10782	2.9
165.09242	1.7
171.10260	7.6
191.05594	2.5
195.10228	1.1
199.04079	1.2
199.09818	1.6
201.11293	30.6
202.11589	1.7
213.11302	19.5
214.11638	1.0
215.12932	3.0
227.03468	1.4
243.02879	1.3
243.47958	0.8
255.02911	6.8
256.03693	3.2
257.04367	1.6
285.03943	1.0
291.19537	3.8
307.18976	2.8
309.20721	3.1
310.04349	0.8
327.21713	24.9
328.22067	2.4
382.39548	0.9
402.27115	0.9
407.08542	11.6
407.17389	100.0
408.08173	1.4
408.17758	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	407.1734
Annotation	Unknow
Peak:m/z	Relative Intensity
51.17356	1.8
54.53170	2.0
59.01374	18.9
61.98824	74.7
69.03427	2.2
71.01362	3.0
71.19020	4.0
75.00855	9.0
78.90518	2.1
78.95886	34.9
79.95718	13.8
95.95205	7.6
96.95982	79.8
96.96938	71.3
97.02912	5.3
114.93360	2.5
127.55951	1.9
128.88255	2.1
134.34955	2.0
200.52196	2.2
255.02873	6.3
256.03583	4.0
269.40738	2.3
271.82239	2.1
291.19571	15.6
295.08270	2.3
309.20709	15.1
338.10452	24.6
347.15289	66.1
348.15665	5.4
370.09399	2.9
375.12552	16.8
407.07584	9.7
407.15186	100.0
408.15594	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	407.098
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	0.5
63.02397	0.8
65.00320	6.3
69.95083	1.5
71.01360	0.4
71.47287	0.3
73.02983	0.3
77.61066	0.3
81.03428	0.4
83.01385	4.2
93.03447	4.8
95.01400	0.3
97.02952	0.8
98.19881	0.6
98.42357	0.3
101.02439	0.5
107.01382	9.5
117.03466	3.5
121.02942	0.7
125.02449	6.6
135.04509	2.6
137.02411	0.9
149.02428	0.8
151.00362	25.1
152.00677	1.0
153.01920	0.4
158.03731	0.6
159.04497	3.1
160.04863	0.3
161.02438	8.9
162.02754	0.5
165.01913	1.1
167.03494	1.0
169.01465	0.4
173.05980	0.7
177.05560	1.1
186.31577	0.3
193.01408	2.9
201.05576	5.7
202.05768	0.4
203.03490	0.5
223.02324	0.4
245.04520	100.0
246.04861	6.9
257.04581	0.8
279.07019	0.4
287.05606	10.6
288.06009	0.8
299.05545	0.5
313.05457	0.5
317.06647	3.3
407.09912	6.1
408.09949	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.098
Annotation	Unknow
Peak:m/z	Relative Intensity
50.24195	0.6
57.21260	0.5
57.29539	0.5
59.01371	1.1
65.00326	4.7
69.03439	0.9
69.58407	2.4
69.58833	1.1
77.03959	1.2
78.21463	0.4
79.01888	2.4
81.03440	3.2
82.28985	0.6
83.01382	3.9
87.57448	0.4
93.03457	14.3
95.01382	1.4
95.05043	1.1
97.02953	7.6
99.04544	0.9
104.16338	0.5
105.03460	1.3
107.01400	4.0
109.02934	1.4
113.02472	0.6
117.03471	12.4
121.02956	6.5
123.00836	1.5
123.04498	2.5
125.02441	17.7
126.02804	0.5
133.02956	0.8
135.04524	5.3
137.02434	5.4
138.02847	0.6
139.04036	1.1
145.02869	0.5
146.98213	0.5
149.02434	4.6
151.00365	9.0
155.03502	1.6
157.06572	1.1
159.04546	4.3
161.02440	10.9
162.02902	0.5
163.00391	4.0
164.01143	0.6
165.01917	7.1
167.03505	6.2
171.04459	0.7
171.08139	1.5
172.05211	0.5
173.06071	1.4
177.01857	0.9
177.05557	1.7
179.03432	0.6
185.06119	0.5
187.07657	0.7
193.01401	12.0
194.01646	0.6
197.04512	1.1
200.04781	1.8
201.05560	5.6
203.03465	1.1
205.01372	1.2
215.07127	4.4
219.06612	1.3
223.02449	3.0
225.05460	0.8
241.02980	0.7
243.06535	2.3
245.04529	13.5
246.04971	0.8
257.04489	4.4
259.06152	2.9
271.06125	1.7
287.05594	100.0
288.05893	8.7
299.05698	2.7
317.06616	27.0
318.07074	2.7
329.06635	1.0
329.24530	0.5
389.08875	1.4
407.09848	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	406.244
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	2.6
61.98824	100.0
70.89108	1.5
72.38959	0.6
81.28748	0.6
96.95995	1.1
110.92603	0.5
132.73563	0.6
150.06651	0.5
177.76187	0.5
229.47142	0.6
255.02975	1.6
256.03714	0.8
285.03879	0.6
344.22275	0.6
407.07431	2.9
407.29221	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.0769
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	4.7
61.98820	0.8
69.40365	1.0
69.40774	3.0
69.95944	0.4
71.01373	0.8
72.99298	0.5
73.02927	0.4
85.02962	0.8
88.98785	0.5
93.03425	0.8
95.05030	0.5
96.95977	1.1
103.05576	0.6
108.02159	0.8
109.02947	5.3
113.53274	0.5
123.04523	5.5
133.02934	0.6
134.03682	0.5
135.04474	0.8
137.02431	0.8
141.07141	1.1
142.97992	0.4
142.99055	0.6
144.98770	1.0
149.02437	0.4
149.04509	0.4
151.04021	3.3
155.03496	0.5
159.04504	0.7
161.02440	1.4
165.04028	0.4
167.04935	0.5
171.04485	1.0
173.04465	1.2
175.03961	2.3
183.04437	0.9
185.06067	0.4
187.03889	0.6
191.05606	3.3
196.05118	0.4
198.03268	0.6
199.04031	3.7
201.01947	0.6
210.03275	0.4
211.03981	1.6
212.04816	0.6
213.05550	6.6
214.02733	3.1
215.03108	0.5
225.05600	1.1
226.02612	0.8
227.03479	15.4
228.04218	8.1
229.04892	0.5
241.05026	1.0
242.02211	1.6
243.02954	13.8
244.03293	0.9
244.79561	0.5
255.02969	67.1
256.03690	23.2
256.06485	1.0
257.04517	12.5
258.04922	0.9
267.03027	1.0
269.04526	5.6
270.04907	0.6
282.01715	3.7
283.02454	9.1
284.03091	2.3
285.04034	14.1
286.04553	1.1
297.04031	5.0
298.04504	0.6
363.08652	0.6
389.06580	2.1
407.07697	100.0
408.08093	12.1
408.12741	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	406.2077
Annotation	Unknow
Peak:m/z	Relative Intensity
60.02520	0.3
61.98826	100.0
69.74144	1.4
69.74558	0.6
75.31142	0.3
78.36561	0.3
96.96030	0.3
106.36323	0.3
115.92069	0.4
116.92830	0.5
184.53804	0.3
241.12039	0.3
255.02882	0.5
307.19150	0.4
318.59686	0.3
385.23444	0.3
407.07971	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	406.1653
Annotation	Unknow
Peak:m/z	Relative Intensity
56.39146	0.9
58.02732	1.1
58.02976	11.5
59.01376	6.7
59.16205	0.8
66.03482	0.9
71.01372	1.6
71.61606	0.9
71.62003	1.2
72.00934	0.9
74.01343	0.8
74.02468	21.8
78.97587	0.8
81.04568	2.3
81.91813	0.8
82.02969	2.9
84.04538	1.7
85.02937	1.4
86.02473	8.5
86.06120	1.0
87.02764	1.1
87.05620	6.1
93.03455	2.3
96.96005	3.0
97.04071	2.3
99.05638	20.3
100.05976	1.6
101.07198	4.6
102.05596	4.2
107.06124	1.1
109.02946	2.7
109.04060	4.0
111.05634	1.3
112.04034	1.8
123.04504	4.2
123.05668	1.0
125.02393	2.1
125.03547	2.7
127.05120	3.1
128.03534	53.3
129.03847	2.9
133.06921	9.3
135.05608	6.5
137.07146	1.2
141.06673	4.0
143.04608	71.1
144.04922	3.7
145.05116	1.3
145.06200	2.5
146.04596	7.7
151.03983	2.1
153.06691	4.0
155.08221	1.6
161.02367	1.0
162.00301	2.7
165.05470	1.0
166.09834	1.7
167.04579	4.0
167.08208	4.3
170.03290	2.0
171.04128	1.8
173.04562	1.9
175.03981	2.1
179.03149	1.3
179.04604	17.3
180.04810	1.1
181.06233	1.8
182.03769	1.2
183.04477	1.4
185.05640	3.1
187.04037	1.4
191.05579	3.8
191.76202	0.9
192.07809	2.4
197.05618	2.9
199.03979	3.6
210.08800	15.2
211.04007	5.4
213.05579	3.1
214.02698	1.4
215.03516	1.1
225.05519	1.5
227.03497	9.0
228.04227	5.1
228.09872	1.3
233.04237	0.9
241.00055	1.5
242.02240	1.1
243.02916	7.4
246.49643	1.0
253.05048	3.4
254.07816	27.9
255.02943	38.2
255.08177	2.1
256.03748	18.0
257.04446	4.2
269.04620	3.0
272.08856	36.3
273.09113	3.7
274.09113	1.6
277.12198	2.8
281.04550	6.9
282.01599	3.0
283.02469	6.0
284.03137	1.4
285.04065	7.0
288.02820	3.1
290.06384	1.2
297.04037	3.2
298.04834	1.2
307.07855	2.3
308.07343	16.2
339.08609	1.1
388.15408	6.6
406.16483	50.6
407.07663	100.0
407.16602	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	406.1634
Annotation	Unknow
Peak:m/z	Relative Intensity
58.34512	0.8
59.01373	1.9
61.98827	100.0
64.59634	0.7
69.41059	1.4
69.41474	4.2
78.95914	0.7
84.02168	1.4
86.00786	0.8
95.05020	1.0
96.96003	1.0
96.96984	1.7
97.06573	1.5
98.19830	1.3
123.08197	2.3
125.09714	14.9
135.04419	0.8
135.08162	8.8
153.09222	2.0
161.06081	0.7
171.10222	0.8
209.11801	3.8
250.12152	1.8
255.03102	0.8
287.16400	1.8
305.17557	15.2
305.20767	1.3
306.18149	2.1
319.47833	0.7
332.01486	0.7
338.10614	1.9
407.07626	1.2
425.58804	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	406.1653
Annotation	Unknow
Peak:m/z	Relative Intensity
56.39146	0.9
58.02732	1.1
58.02976	11.5
59.01376	6.7
59.16205	0.8
66.03482	0.9
71.01372	1.6
71.61606	0.9
71.62003	1.2
72.00934	0.9
74.01343	0.8
74.02468	21.8
78.97587	0.8
81.04568	2.3
81.91813	0.8
82.02969	2.9
84.04538	1.7
85.02937	1.4
86.02473	8.5
86.06120	1.0
87.02764	1.1
87.05620	6.1
93.03455	2.3
96.96005	3.0
97.04071	2.3
99.05638	20.3
100.05976	1.6
101.07198	4.6
102.05596	4.2
107.06124	1.1
109.02946	2.7
109.04060	4.0
111.05634	1.3
112.04034	1.8
123.04504	4.2
123.05668	1.0
125.02393	2.1
125.03547	2.7
127.05120	3.1
128.03534	53.3
129.03847	2.9
133.06921	9.3
135.05608	6.5
137.07146	1.2
141.06673	4.0
143.04608	71.1
144.04922	3.7
145.05116	1.3
145.06200	2.5
146.04596	7.7
151.03983	2.1
153.06691	4.0
155.08221	1.6
161.02367	1.0
162.00301	2.7
165.05470	1.0
166.09834	1.7
167.04579	4.0
167.08208	4.3
170.03290	2.0
171.04128	1.8
173.04562	1.9
175.03981	2.1
179.03149	1.3
179.04604	17.3
180.04810	1.1
181.06233	1.8
182.03769	1.2
183.04477	1.4
185.05640	3.1
187.04037	1.4
191.05579	3.8
191.76202	0.9
192.07809	2.4
197.05618	2.9
199.03979	3.6
210.08800	15.2
211.04007	5.4
213.05579	3.1
214.02698	1.4
215.03516	1.1
225.05519	1.5
227.03497	9.0
228.04227	5.1
228.09872	1.3
233.04237	0.9
241.00055	1.5
242.02240	1.1
243.02916	7.4
246.49643	1.0
253.05048	3.4
254.07816	27.9
255.02943	38.2
255.08177	2.1
256.03748	18.0
257.04446	4.2
269.04620	3.0
272.08856	36.3
273.09113	3.7
274.09113	1.6
277.12198	2.8
281.04550	6.9
282.01599	3.0
283.02469	6.0
284.03137	1.4
285.04065	7.0
288.02820	3.1
290.06384	1.2
297.04037	3.2
298.04834	1.2
307.07855	2.3
308.07343	16.2
339.08609	1.1
388.15408	6.6
406.16483	50.6
407.07663	100.0
407.16602	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	405.241
Annotation	Unknow
Peak:m/z	Relative Intensity
53.89093	31.0
55.02465	23.0
59.01387	59.2
61.98817	100.0
80.70237	25.6
88.38277	22.4
161.02452	45.8
229.09340	34.8
255.02945	36.6
405.26498	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	405.2642
Annotation	3alpha,7alpha-Dihydroxy-12-oxo-5beta-cholanate
Peak:m/z	Relative Intensity
54.93795	1.1
59.01367	3.8
61.80228	1.0
61.98820	4.6
71.61620	1.2
77.45526	1.0
123.08173	2.0
134.10562	1.1
135.04529	1.9
138.39783	1.1
150.63116	1.2
158.60219	1.2
161.02426	4.0
246.32968	1.1
255.02995	3.3
311.20135	4.5
327.23260	26.3
328.23660	2.6
343.26370	37.2
344.26779	5.6
361.27417	8.3
362.27948	1.7
387.25461	4.9
405.26422	100.0
406.26822	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	405.1915
Annotation	isoadenolin A
Peak:m/z	Relative Intensity
55.48568	0.4
59.01375	100.0
60.01712	0.7
61.98842	0.7
69.42403	1.6
69.42830	1.3
69.61623	0.4
73.02940	3.0
75.00874	0.6
78.95915	1.6
85.02973	0.5
93.03455	0.9
96.96016	0.8
108.02164	4.4
109.03004	0.5
109.06599	0.6
125.49576	0.4
135.04538	0.7
161.02448	0.4
173.04570	0.8
179.83191	0.5
190.84308	0.4
191.05626	1.7
200.04854	0.5
201.05565	5.1
269.11813	0.8
285.15097	0.7
288.71152	0.4
297.14966	0.5
309.15024	1.9
327.15982	2.1
345.17041	13.0
345.21036	0.9
346.17566	1.4
361.22824	0.5
405.25003	0.6
406.16473	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.2409
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01367	44.9
61.98824	100.0
64.30519	9.3
71.62170	11.6
75.00842	20.8
78.95895	31.6
81.57119	10.7
85.02934	10.0
86.94451	10.4
90.18591	9.4
94.92506	54.3
96.96004	19.2
96.96961	38.7
102.35271	11.0
152.47427	11.0
161.02576	12.6
209.11897	11.1
255.03017	33.4
284.03519	12.6
367.16196	13.5
405.26715	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	404.2285
Annotation	Unknow
Peak:m/z	Relative Intensity
54.79266	0.3
59.01360	0.5
61.98826	100.0
70.51831	0.9
78.04112	0.3
166.01120	2.3
205.28015	0.3
210.00137	6.2
211.00731	0.4
357.75681	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.2285
Annotation	Unknow
Peak:m/z	Relative Intensity
54.79266	0.3
59.01360	0.5
61.98826	100.0
70.51831	0.9
78.04112	0.3
166.01120	2.3
205.28015	0.3
210.00137	6.2
211.00731	0.4
357.75681	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.0826
Annotation	5,7,3',5'-Tetrahydroxy-3,6,8,4'-tetramethoxyflavone
Peak:m/z	Relative Intensity
57.03446	0.9
58.02956	1.6
59.01376	7.1
60.99287	0.6
61.98826	0.7
67.01870	2.4
69.03452	0.9
71.01391	4.9
71.62338	0.6
72.99285	0.7
73.02941	1.1
74.02461	2.5
79.95734	0.6
81.03465	0.9
83.05013	1.2
85.02945	12.3
87.00877	5.1
87.05625	0.7
89.02448	1.5
93.03455	13.6
96.95985	1.8
99.04555	0.8
99.05630	1.9
101.02462	2.1
102.05653	0.6
109.02937	1.4
111.04510	2.3
113.02418	1.2
115.00350	0.9
116.92844	3.5
119.03500	0.9
125.02473	0.8
127.04002	3.4
128.03531	5.7
129.03844	1.8
131.05000	0.7
133.02959	0.7
137.02515	0.7
143.04613	8.1
144.04970	3.3
146.04579	0.6
159.04471	4.6
160.00755	1.5
167.04695	0.8
168.04951	0.7
173.04561	3.6
174.30022	0.6
179.04555	1.4
187.03986	40.2
188.04340	2.6
189.01881	1.3
191.05597	89.5
192.05966	4.2
210.08868	1.0
211.09157	0.9
231.02962	100.0
232.03271	6.5
253.04639	0.7
254.07851	1.5
254.77139	0.6
255.08171	2.0
261.03128	0.7
272.08942	2.0
273.09189	1.6
289.07086	1.7
306.07639	4.1
307.07840	7.6
308.07507	1.7
387.07080	0.6
405.08264	70.3
405.17120	2.3
406.08588	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	404.1921
Annotation	Unknow
Peak:m/z	Relative Intensity
50.81570	0.3
54.65520	0.3
58.87004	0.3
59.01379	1.7
59.55179	0.3
61.98826	100.0
64.65979	0.3
64.88517	0.3
69.64088	1.6
83.01382	0.4
96.95985	0.7
105.03488	0.3
109.02957	0.4
119.22813	0.3
125.02443	0.6
133.02950	1.0
135.04526	0.6
137.02411	2.3
138.02779	1.0
150.03186	0.6
161.02382	0.5
165.01932	0.8
166.02290	0.5
172.72647	0.3
178.02654	0.5
179.03491	0.5
186.08978	0.4
287.05698	0.6
287.16742	0.4
288.06088	1.1
306.07358	0.6
307.07880	1.3
341.19675	0.3
386.13397	1.0
404.06976	0.6
404.14328	0.3
405.17731	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.1924
Annotation	Unknow
Peak:m/z	Relative Intensity
51.40265	0.4
55.58692	0.3
55.93244	0.3
61.98827	100.0
70.84118	0.8
117.78476	0.4
164.40129	0.4
166.01161	2.0
171.04066	0.4
208.00505	0.6
210.00082	5.3
220.14751	0.4
404.21906	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.1923
Annotation	Unknow
Peak:m/z	Relative Intensity
53.81478	0.4
54.47477	0.4
59.01379	1.1
61.98825	100.0
65.03684	0.4
66.92484	0.5
68.72168	0.5
69.79654	2.4
71.58691	0.4
78.95898	0.6
79.95730	0.9
96.82896	0.5
98.20629	0.5
133.02901	0.4
162.15005	0.5
210.00159	1.4
256.93405	0.5
404.02087	0.5
404.25406	0.9
405.22949	0.8
429.04721	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.0621
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01370	1.3
61.98825	100.0
62.30219	0.3
65.05060	0.2
69.74925	1.1
97.05480	0.3
98.20529	0.4
101.14319	0.2
109.02942	1.6
123.04510	1.1
125.02454	0.5
126.02817	0.3
133.02998	0.3
135.04539	0.3
137.01576	0.2
137.02400	1.1
138.02780	0.6
147.04518	0.3
151.04025	0.6
161.02451	0.5
165.01923	0.2
165.05589	0.3
173.04544	0.3
177.01933	2.4
189.01915	4.6
190.02609	1.4
191.03494	0.5
191.05600	0.6
203.03525	0.6
216.00703	0.6
217.01382	3.6
218.01981	0.4
219.02905	1.4
231.02982	1.0
327.60120	0.3
328.10464	0.3
341.06625	13.8
342.06918	1.4
345.17172	0.3
368.12534	0.4
372.09009	0.4
386.13354	0.5
404.20737	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.104
Annotation	Unknow
Peak:m/z	Relative Intensity
57.05667	0.2
61.98825	100.0
62.98528	0.2
69.65490	0.8
73.14077	0.2
90.02798	0.2
98.19756	0.2
116.92896	0.2
211.82375	0.2
280.97635	0.2
305.39056	0.2
393.67401	0.2
404.10388	0.4
427.23932	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.1493
Annotation	Unknow
Peak:m/z	Relative Intensity
53.37379	0.9
57.88593	0.9
58.02975	9.6
59.01360	1.9
61.98819	1.3
67.14704	1.0
69.55753	6.6
69.56147	2.0
70.02962	1.2
71.01384	1.1
72.00894	1.7
74.02467	21.1
76.23220	0.9
81.04591	1.5
82.02971	1.9
84.04550	1.7
85.48310	1.0
86.02479	8.8
86.99070	2.2
87.05624	5.3
90.00185	2.6
96.95975	1.8
97.04093	2.7
98.19878	2.0
99.05640	16.7
101.07199	2.8
102.05591	3.0
107.06127	1.3
109.04034	2.3
111.05646	2.6
112.04035	2.8
123.05611	1.9
124.04050	1.4
125.03539	1.7
126.75817	1.0
127.05125	3.8
128.03535	51.0
129.03897	2.2
131.04642	1.3
134.96138	1.0
135.05623	5.0
137.07166	1.2
141.06743	4.8
143.04616	75.6
144.04982	1.7
145.06155	3.3
146.04552	6.9
153.06668	5.0
160.00729	19.6
166.09833	2.5
167.04623	6.3
167.08275	2.5
177.03360	7.8
179.04605	12.3
181.06184	2.2
184.10957	1.4
185.05644	1.3
192.07756	1.7
197.05606	2.3
210.08798	12.0
211.08974	1.5
242.07803	1.1
254.07785	20.8
272.08868	31.9
273.09207	1.5
288.06598	11.7
306.07639	100.0
307.07910	7.3
315.15396	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.2253
Annotation	Unknow
Peak:m/z	Relative Intensity
57.25423	24.9
59.01364	96.2
61.98809	100.0
71.30421	36.7
71.30753	26.7
87.00860	45.8
105.30931	28.4
147.49855	24.9
156.97357	26.5
161.02342	32.4
174.00833	25.2
249.91498	22.8
330.05478	28.2
400.37427	29.9
407.80573	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	403.2253
Annotation	Unknow
Peak:m/z	Relative Intensity
58.39669	21.0
59.01360	82.2
61.98812	100.0
69.40177	23.2
70.06950	22.8
71.62189	39.1
108.35807	24.2
111.67847	22.6
133.02893	29.2
135.04544	27.1
140.80370	22.7
161.02399	79.1
171.87994	26.9
205.49001	22.2
210.37416	22.6
271.80212	26.6
328.91769	26.0
420.05740	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	403.2253
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01361	44.6
61.98820	65.0
69.87805	59.6
75.27611	10.1
85.83770	13.6
89.45857	10.4
94.92492	100.0
96.96014	23.3
118.90192	11.3
124.72157	12.9
133.02910	45.1
135.04524	67.1
137.02396	14.7
161.02441	98.5
179.03429	50.5
191.05588	25.3
192.04262	21.5
206.52676	11.0
307.18948	15.4
329.16971	19.4
353.08438	18.1
403.25061	82.3
403.65808	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	403.2253
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	25.0
61.98834	42.1
67.36214	6.8
69.41042	13.6
69.41452	55.4
93.03471	12.2
96.96002	15.5
126.65967	7.3
133.02971	40.4
134.63655	7.5
135.04506	32.1
161.02440	100.0
173.04517	26.5
177.01869	10.1
179.03534	44.1
180.03755	8.2
191.05684	14.1
192.04185	18.9
194.61502	8.4
201.42976	7.9
208.16324	7.5
353.08673	13.2
394.29529	8.6
403.24945	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	403.1242
Annotation	10-Acetylmonomelittoside
Peak:m/z	Relative Intensity
50.83893	1.7
53.57202	1.7
58.00599	1.9
59.01377	85.3
61.98826	17.8
62.96380	1.4
67.01883	25.1
67.29149	1.4
68.99811	18.2
69.03443	1.9
70.20581	3.5
70.20994	5.0
71.01378	31.4
72.99298	9.7
73.02937	3.0
75.00874	2.2
77.41266	1.6
78.03902	1.5
78.95885	5.7
79.95761	1.8
81.03442	2.5
83.01380	4.5
85.02962	11.6
87.00883	4.5
89.02438	28.9
93.03458	15.1
94.03018	1.5
95.01376	7.8
96.96004	85.2
96.96922	10.3
99.04509	7.1
101.01772	3.6
101.02438	60.9
105.03454	1.8
107.04979	1.7
109.02962	17.5
111.00871	4.7
111.04502	2.2
113.02454	8.8
117.03477	3.4
118.39821	1.6
119.03505	10.1
119.04990	2.3
121.02944	21.2
122.02477	10.1
123.00880	100.0
123.02788	6.8
123.04487	6.2
123.41580	1.7
124.01688	26.7
127.04006	99.3
128.04341	4.1
131.03467	2.1
133.02937	7.5
133.06625	2.0
135.04478	4.9
136.01657	2.7
137.02457	15.1
138.03227	58.7
139.04010	75.8
140.04433	2.1
142.16435	1.8
143.03450	5.3
145.02928	4.6
147.04514	1.8
149.02477	10.0
150.03145	1.8
151.03923	4.1
153.01930	1.9
161.02406	13.1
161.04506	4.5
163.03914	2.5
165.05537	3.3
166.02612	1.8
167.03450	4.4
173.04547	10.6
177.05511	5.0
179.03445	5.3
179.05560	3.7
181.05013	8.8
191.03485	13.4
191.05589	21.3
193.01334	2.7
193.05028	15.2
195.06558	1.8
197.04503	2.8
203.05479	4.0
205.04951	3.0
223.06078	17.8
241.07146	53.1
242.07440	4.2
283.08072	2.2
316.62827	1.9
343.10300	22.1
344.10776	2.1
371.09671	4.2
403.11865	12.7
403.16248	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	403.1144
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31453	1.3
57.03429	2.9
59.01341	5.3
61.98824	19.3
62.86775	1.6
64.00662	1.4
71.01382	1.9
78.12078	1.5
80.05043	2.5
81.03432	1.6
83.01343	4.3
85.02925	1.7
87.00835	1.3
93.03398	3.9
96.95976	3.6
97.02892	1.4
101.02401	1.6
109.02892	4.1
122.06110	9.0
123.04435	1.6
124.01551	1.6
124.07613	1.8
124.40730	1.3
125.01646	1.5
125.02429	20.3
130.02916	2.1
132.04544	17.2
135.04474	3.1
137.02437	28.1
146.02454	1.9
146.03622	3.3
146.06007	1.6
147.03188	3.7
148.03964	1.8
148.05168	1.7
149.02402	1.7
150.03131	4.3
150.05511	3.9
151.03975	2.3
158.02477	8.3
159.04433	1.9
160.04018	9.0
161.02382	1.5
161.04568	2.4
161.05930	1.6
162.05458	4.3
164.01068	3.8
165.01907	14.6
167.03468	2.7
172.11295	1.6
173.04466	2.3
173.05937	2.1
174.03104	3.8
174.05414	2.1
175.07620	6.3
175.08884	1.4
176.03395	8.9
176.04831	2.3
176.07025	3.1
177.01804	3.2
179.03354	4.3
187.03865	1.4
187.07516	3.8
189.09061	2.1
190.05072	18.1
191.05637	9.8
199.04968	1.4
199.08696	1.8
201.05450	1.5
203.07002	6.2
205.08598	2.6
209.07140	2.9
211.12218	6.2
212.05835	3.0
212.10716	2.9
213.06653	2.1
215.06830	2.0
215.11729	5.5
217.08513	2.0
218.05568	1.4
223.08531	4.4
224.09494	12.7
226.07344	4.2
227.08015	4.7
229.04704	1.9
229.08572	5.4
231.10159	4.1
238.08549	1.5
239.04504	2.1
239.08296	3.4
239.11885	28.2
240.10069	5.6
241.09871	12.3
247.09782	2.7
250.07288	2.5
252.05243	2.2
253.06158	28.3
254.06500	4.2
255.07545	5.3
255.11464	7.2
257.08017	3.2
259.09628	2.1
265.09882	4.5
267.07663	6.5
268.08502	11.3
269.08640	1.6
281.09000	6.1
283.10855	70.1
284.11008	6.2
292.12756	1.5
299.12799	2.2
309.08777	22.2
315.13391	1.8
323.12613	4.7
327.09824	69.0
328.10107	7.6
341.06613	2.5
341.10815	3.7
353.07657	2.7
359.11816	3.0
367.11765	10.9
371.08798	100.0
372.09006	11.2
385.13010	9.5
403.11133	50.0
403.18527	2.7
404.11499	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	403.0871
Annotation	Unknow
Peak:m/z	Relative Intensity
53.91456	1.2
59.01374	6.0
60.99292	1.6
67.01889	10.6
69.03445	3.1
69.25272	9.9
69.25680	2.8
71.01380	4.1
72.99304	48.4
73.77602	1.2
75.92987	1.5
81.03454	3.3
83.05016	1.8
85.02940	12.4
87.00879	12.3
93.03454	65.1
94.03763	2.2
95.01373	1.6
96.96023	14.2
98.20590	2.6
101.02435	1.5
106.55418	1.5
108.02196	2.8
109.02953	6.6
111.04532	7.8
121.02933	5.2
123.00871	1.5
123.04487	3.8
124.01626	5.1
127.04005	2.4
136.01669	6.8
137.02443	75.9
138.02791	4.4
139.03998	6.9
145.37869	1.2
145.43175	1.4
149.02443	11.8
151.03893	1.9
153.01930	1.8
155.03563	2.2
165.01872	1.4
167.03458	7.9
171.02997	2.1
173.04539	71.2
174.04861	3.7
191.05598	100.0
192.05870	6.5
193.01421	6.7
193.05981	1.9
211.02560	1.7
247.02188	2.3
247.04556	24.8
355.77252	1.4
369.08148	1.7
385.07639	2.1
390.28891	1.4
403.08362	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	403.1144
Annotation	Unknow
Peak:m/z	Relative Intensity
51.17944	1.5
56.25679	1.5
57.03431	5.2
59.01370	15.8
60.75300	1.6
61.98829	100.0
68.13909	1.6
68.99803	1.8
69.03469	2.7
71.01376	4.0
71.62103	2.0
73.02962	2.0
80.05067	1.9
81.03465	4.1
83.01376	14.7
85.02942	5.0
89.02431	2.8
93.03461	6.2
95.05028	3.0
96.95996	8.5
97.02944	1.8
97.06551	1.8
98.68192	1.9
101.02412	3.1
104.05038	3.0
106.06628	19.4
109.02942	17.8
111.04523	2.0
121.02939	3.3
122.06097	6.8
123.04508	5.3
124.07725	1.8
125.02438	48.6
130.02992	3.0
132.04536	17.5
133.02927	7.1
135.04485	8.2
137.02438	80.5
138.02827	2.7
138.87639	1.7
139.03984	2.8
146.03693	6.1
146.06158	2.4
147.03278	1.8
147.04549	2.1
149.02338	2.8
149.06017	2.1
150.03252	9.8
150.05580	21.4
151.03952	5.1
158.02426	8.0
158.81119	1.8
159.04506	4.1
159.32979	2.0
160.04019	8.9
161.02469	11.4
161.04597	2.3
162.02773	2.8
162.05594	3.2
164.01193	11.7
165.01927	30.2
167.03468	7.7
172.05295	2.7
172.11256	2.3
173.04553	4.0
173.06049	5.8
174.03181	7.1
174.06842	4.4
175.03957	4.3
175.07643	15.1
176.03516	9.2
176.04829	2.2
176.07147	2.4
177.01894	5.1
177.09229	2.4
179.03502	16.0
184.62985	1.7
187.03952	2.4
187.07625	12.7
189.01915	4.8
189.09232	3.7
190.02699	4.4
190.05002	18.1
191.03786	2.4
191.05583	16.1
192.05920	1.8
194.04526	5.0
200.04739	6.3
201.05542	4.8
201.09200	3.4
203.07124	14.7
204.07809	1.8
205.08652	4.4
209.07202	2.2
211.12296	3.8
212.06042	2.1
212.10902	2.7
215.07146	2.3
215.11786	3.8
217.01349	5.7
217.08661	5.2
220.02452	3.0
223.08797	5.8
224.09583	12.7
226.07591	2.2
227.08231	6.0
229.08752	11.6
231.10065	2.2
234.04068	3.7
238.08542	2.1
239.11922	22.2
240.10262	4.9
240.12328	2.0
241.10036	9.6
247.09685	15.9
250.07568	2.0
252.05585	2.5
253.06169	23.8
255.07698	3.7
255.11255	4.5
259.09753	5.0
265.10626	7.9
267.07700	7.9
268.08630	10.9
269.08350	2.0
277.10721	2.8
281.09207	6.5
283.10861	68.1
284.11301	3.9
287.05740	2.2
287.10086	1.9
288.06140	1.9
289.07193	3.3
299.12622	3.4
306.07443	4.0
309.08801	13.2
310.09500	2.2
315.13519	2.7
323.12839	8.6
327.09854	77.4
328.10233	8.2
340.10443	10.0
341.06555	6.0
341.10364	4.0
348.08554	3.9
353.07761	4.0
359.12207	3.6
361.22287	2.3
367.11765	23.6
368.11981	3.3
371.08786	64.9
371.13416	3.6
372.09103	5.8
385.13022	22.4
386.12964	3.0
393.62146	1.9
399.38147	2.0
403.10873	42.9
403.19202	5.1
404.11810	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	402.1767
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03416	0.4
59.01376	1.9
61.98827	100.0
71.01367	0.3
79.95740	1.1
81.03451	0.5
83.01394	0.9
85.02978	0.5
93.03477	1.0
95.95229	0.4
96.96019	1.7
97.02974	0.4
97.06577	0.4
97.13468	0.3
108.38350	0.3
109.02975	1.5
111.04517	0.3
121.02962	1.5
122.03763	0.9
123.04533	0.4
125.02448	3.1
125.09682	0.8
133.02945	0.9
134.03754	0.5
135.04564	1.0
137.02441	11.8
137.03513	0.7
138.03011	0.5
139.03966	0.3
149.02480	1.2
150.03212	5.1
150.04320	0.3
150.05553	0.4
151.03650	1.3
151.07715	0.4
154.02588	0.3
159.04549	0.5
161.02454	1.3
165.01909	5.4
166.02400	0.6
173.04570	0.6
173.06093	0.5
175.03995	0.7
177.01973	0.4
178.02744	0.9
179.03549	1.1
183.04712	0.4
189.05539	0.4
191.05615	1.4
199.07967	0.3
201.05669	1.1
206.32716	0.3
215.12881	1.4
219.06876	0.6
220.07378	0.6
226.06531	0.4
243.06630	0.7
245.08098	0.3
259.06134	1.6
274.70209	0.4
285.15143	0.4
287.05585	5.8
287.08459	0.5
288.06396	1.6
289.07065	0.9
290.07547	0.6
303.15826	1.5
306.07388	2.4
321.17258	0.7
339.18411	0.3
358.13940	0.5
385.12903	3.0
402.14594	0.5
402.20410	11.3
403.14594	0.3
403.20273	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	402.228
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	5.8
61.98825	100.0
69.87066	5.0
69.87456	7.8
73.33588	2.3
96.96000	3.5
98.20514	5.5
105.13718	2.8
115.81162	3.1
120.60760	3.0
163.11278	6.1
184.98398	2.8
212.75140	3.0
338.23978	2.8
339.23209	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	401.1808
Annotation	Unknow
Peak:m/z	Relative Intensity
54.21656	0.9
55.01852	1.2
59.01375	100.0
60.01638	1.0
60.79482	0.8
61.98818	3.4
71.01381	15.1
71.62103	1.2
72.58105	0.8
73.02933	5.0
79.95747	1.9
83.01383	2.4
85.02942	8.4
88.13523	0.8
88.36812	0.9
89.02436	4.8
95.01380	1.2
95.95235	1.3
96.96016	5.5
99.00867	1.5
101.02431	9.4
109.02943	0.9
110.59791	0.9
113.02451	6.1
119.03496	1.6
121.02956	5.3
125.02431	1.2
159.03000	1.4
161.02461	1.3
161.04536	8.3
181.06656	1.2
191.05606	2.3
191.97485	1.0
225.05511	1.2
239.34235	0.9
315.18112	8.1
341.10687	2.0
344.25439	1.1
363.10489	0.9
371.18823	1.4
401.08820	3.1
401.20016	23.9
402.08954	1.1
402.20255	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	401.2306
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	3.9
60.10956	0.4
61.98834	2.4
70.49239	0.4
71.01375	0.5
71.18706	0.6
79.95735	1.5
80.96484	0.6
89.02446	1.1
95.21345	0.4
96.95997	3.3
101.02425	0.5
110.55450	0.4
119.03431	0.8
121.02944	4.2
149.96838	0.5
161.02397	1.3
180.43723	0.4
185.62117	0.4
191.05638	0.7
313.07016	1.1
319.22754	100.0
320.23087	12.9
341.10922	1.7
357.05804	0.5
401.08737	1.3
401.23355	48.6
402.23642	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	401.1448
Annotation	Benzyl beta-primeveroside
Peak:m/z	Relative Intensity
51.12428	0.6
55.01876	7.0
57.03446	5.1
57.98919	0.7
58.00584	1.8
59.01376	39.8
67.01846	0.9
67.38110	0.7
69.03450	1.4
71.01379	83.3
71.58083	0.8
72.01721	1.5
72.99295	2.0
73.02943	39.2
75.00869	2.6
81.03463	0.9
82.66765	0.7
83.01379	14.1
85.02945	41.3
87.00859	3.8
89.02439	17.6
93.03469	1.5
95.01376	5.8
97.02934	4.6
99.00880	15.6
99.04511	1.0
101.02440	68.3
103.70523	0.6
107.05002	1.0
109.02912	1.3
111.00883	1.8
113.02444	32.7
114.02837	0.7
115.04005	3.0
125.02451	7.6
129.01924	1.8
131.03493	3.4
135.04506	1.5
139.00339	1.0
143.03485	3.8
149.04565	2.0
149.61749	0.7
159.02985	5.6
161.04541	44.1
162.04854	1.4
170.32533	0.7
173.04561	2.7
191.05565	8.4
192.05888	1.1
195.94389	0.7
233.06667	6.5
269.10284	80.8
270.10608	6.4
292.09439	0.8
293.08780	3.7
372.07138	0.8
401.14511	100.0
402.09460	1.7
402.14795	11.8
422.61365	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1297
Annotation	Unknow
Peak:m/z	Relative Intensity
51.00600	1.8
51.83678	1.8
58.00582	3.2
58.49894	2.4
58.53700	1.9
59.01375	56.7
59.05436	1.9
65.55440	1.9
68.95020	2.0
69.46316	11.5
69.46735	5.0
71.01381	40.5
72.99314	2.5
85.02944	8.3
87.00853	4.4
89.02441	62.1
95.01412	2.1
101.02447	21.3
108.02145	3.1
109.32124	2.0
113.02438	21.3
119.03483	20.3
143.03477	2.5
161.04533	4.6
179.05614	21.1
191.05611	28.1
341.10855	100.0
342.11194	6.9
401.10776	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	401.1241
Annotation	Unknow
Peak:m/z	Relative Intensity
55.83948	0.6
57.03436	2.4
57.50151	0.6
59.01369	2.2
70.94883	0.8
70.95216	1.1
71.01370	0.7
79.95715	1.0
81.03458	3.6
81.03861	0.7
83.01380	4.4
85.02969	1.2
87.00867	0.9
93.03446	3.3
95.01374	0.9
95.05016	4.9
96.95992	1.1
97.02939	9.4
97.06542	1.0
106.22194	0.6
107.05046	0.9
108.02158	1.5
109.02940	29.9
109.06582	2.6
111.04480	1.9
112.95169	0.6
121.02966	4.2
122.03719	2.4
123.04516	21.0
123.49632	0.6
124.01742	0.7
124.04834	0.9
124.17192	0.6
125.02431	20.4
127.07650	1.9
133.02901	0.8
135.04512	9.0
137.02426	15.0
138.03236	1.6
139.03983	5.2
145.02914	2.1
146.03685	2.0
147.04509	1.8
149.02432	6.9
149.06114	1.0
150.03224	1.2
151.03989	12.7
151.07649	0.8
153.05560	1.3
154.95154	0.8
159.03354	0.6
159.04488	4.3
160.05263	2.1
161.02429	5.0
161.06042	6.9
162.03212	2.7
162.06458	1.0
163.00351	2.5
163.03983	2.6
164.01151	5.0
165.01921	7.6
165.05548	1.1
165.84610	0.6
167.03491	3.0
173.04517	2.1
173.06029	1.6
174.03241	1.2
175.03972	3.1
175.07584	2.7
176.01079	0.7
177.01912	3.3
177.05536	2.0
178.02690	1.1
179.03481	10.6
180.03783	0.9
185.06004	1.8
187.03972	7.0
188.04762	5.9
189.05489	1.2
191.05608	11.0
191.07126	1.3
195.06572	9.8
199.07732	0.8
201.05614	1.0
201.09175	0.7
202.06273	3.3
203.03403	0.6
203.07108	18.8
204.07407	0.9
205.05035	13.7
207.06631	1.0
212.04756	0.8
217.04976	1.3
221.08131	3.6
227.07121	3.1
229.04977	0.7
231.02943	1.6
234.05344	1.9
235.06145	1.9
245.08144	26.4
246.08548	1.1
247.06073	2.0
271.05948	0.8
289.07150	100.0
290.07507	9.5
353.08667	2.0
357.09717	3.2
383.11255	4.1
401.12360	62.6
401.19861	39.0
402.12668	8.0
402.20108	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1083
Annotation	Unknow
Peak:m/z	Relative Intensity
54.84210	1.5
55.17153	1.5
55.54013	1.6
57.13766	1.6
59.01372	16.1
69.51553	3.2
69.51969	9.4
71.01374	16.8
72.99308	4.0
73.02930	5.3
75.00861	2.9
78.72033	1.5
85.02952	6.8
87.00870	43.5
88.98806	1.6
89.02434	13.4
93.03448	2.3
93.82361	1.7
95.01415	2.5
96.96020	2.3
101.02434	8.1
108.02192	2.9
109.02935	4.3
111.00858	2.0
113.02454	7.7
119.03458	3.1
121.02913	2.1
123.00840	5.8
131.03441	2.2
133.02921	2.3
135.04547	2.9
138.03186	2.0
147.04466	2.0
149.02422	3.5
151.00337	4.6
151.03986	4.0
152.01102	2.8
153.01927	1.6
153.05424	2.1
161.01250	1.6
161.02423	8.8
163.03998	17.5
164.04807	14.6
165.01892	2.2
165.05499	3.2
166.02695	6.8
173.02441	2.5
173.04657	1.9
175.03989	5.1
176.04755	13.2
177.01988	1.7
177.05438	2.1
178.06343	14.0
179.03532	9.4
179.05579	4.7
179.07114	24.4
180.07463	1.8
181.05032	7.5
189.01863	1.9
190.02707	2.6
191.03481	18.2
191.05592	11.2
191.07158	5.9
192.04114	2.7
193.05106	7.5
193.08679	2.8
194.05792	6.6
203.03427	5.3
204.04184	2.7
205.05051	8.0
206.05783	6.9
207.06578	2.6
208.07307	1.7
209.08243	7.8
218.05798	6.6
219.02986	4.9
219.06612	2.1
221.04547	7.1
221.08151	7.3
231.03027	2.2
231.71202	1.6
234.05270	3.6
235.02530	2.1
235.06122	2.1
236.06815	2.9
237.07646	3.0
238.04822	3.0
247.02440	3.6
247.06255	2.0
249.07645	5.8
251.09088	1.8
262.04770	9.7
265.07120	47.4
266.07562	3.4
267.07242	4.6
276.88971	1.6
277.07156	24.3
278.07303	1.7
291.93408	1.6
295.08206	58.3
296.08569	4.8
330.72348	1.7
337.09103	2.2
341.10843	19.3
355.10291	19.4
356.10657	2.2
357.08160	3.2
372.41064	2.0
383.09842	5.9
401.10849	100.0
402.11084	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	401.1084
Annotation	Unknow
Peak:m/z	Relative Intensity
53.14418	0.9
54.55106	1.0
57.03446	2.4
59.01105	1.0
59.01378	13.6
68.99802	1.4
69.03452	1.5
69.89125	5.2
71.01041	1.6
71.01381	16.7
71.19402	1.1
72.99288	3.2
73.02946	1.6
75.00877	16.4
75.48658	0.9
83.01379	1.2
85.02949	21.3
87.00881	8.2
89.02415	5.4
93.03463	2.8
95.01363	5.0
99.00892	9.1
103.00394	1.7
106.04208	3.2
107.05022	10.4
107.86208	0.9
108.02117	1.2
109.02943	1.6
111.00792	1.0
113.02441	28.4
115.00343	1.8
117.01948	2.2
121.02934	2.1
123.04488	3.9
129.01878	1.2
133.02956	7.6
151.04002	18.7
157.01384	1.3
173.04483	1.6
175.02440	3.0
191.05609	5.3
207.05081	1.1
231.05095	1.9
249.06149	21.5
267.04248	2.3
267.07187	44.6
268.07495	1.9
274.27350	0.9
383.09955	2.5
401.10846	100.0
402.11200	8.5
404.41382	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.072
Annotation	Unknow
Peak:m/z	Relative Intensity
52.48391	1.5
53.96209	1.6
57.03439	2.5
59.01374	21.8
61.98818	3.2
67.96908	1.4
68.99800	2.5
71.01376	22.9
71.13653	3.3
72.99304	6.4
73.02937	3.6
75.00869	15.3
81.03437	2.2
85.02949	23.9
87.00847	8.8
88.30365	1.6
89.02427	9.5
90.02141	1.4
93.03442	11.5
95.01384	6.6
99.00861	8.4
101.02447	3.4
103.00366	2.4
103.40160	1.6
106.04234	1.4
107.05038	9.0
108.02165	100.0
109.02332	2.2
109.02962	36.3
110.03255	1.6
110.42114	1.3
111.04531	1.6
113.02443	23.4
115.00413	2.0
119.03517	2.7
121.02902	4.0
121.06007	1.5
123.00900	1.7
123.04493	5.6
125.02412	1.7
133.02939	5.7
135.04485	4.6
137.02425	2.1
151.04008	16.2
152.01143	66.3
153.01945	22.8
161.02441	1.9
163.03998	2.1
165.01880	2.4
173.04546	7.3
179.03487	3.9
191.03949	2.9
191.05605	42.6
192.05927	3.9
231.04843	1.6
237.03957	5.6
249.06126	20.4
267.07205	35.7
292.09494	2.2
311.68567	1.3
315.07178	2.6
320.06961	2.5
332.91788	1.4
341.10864	6.3
357.08228	85.9
358.08521	6.6
383.10049	1.9
387.31213	1.7
401.10834	84.2
401.61972	1.7
402.11215	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	400.1739
Annotation	Unknow
Peak:m/z	Relative Intensity
56.14380	9.5
59.01372	41.3
61.98827	100.0
65.93056	11.3
71.16263	10.0
71.61719	12.1
93.93354	11.5
121.02942	33.9
191.05621	13.8
200.74858	10.5
264.92276	9.5
300.55099	9.8
341.57895	10.7
357.05884	17.3
400.17300	27.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.2206
Annotation	Unknow
Peak:m/z	Relative Intensity
56.68650	0.3
58.97518	0.3
59.01382	0.7
61.45993	0.3
70.84239	0.9
71.34792	0.3
78.95895	0.6
79.95745	2.1
89.49787	0.4
94.15968	0.3
96.96002	96.9
97.95947	0.5
111.68539	0.3
121.14769	0.3
126.31418	0.4
138.75862	0.3
141.10931	0.3
147.39079	0.4
191.05406	0.4
199.17435	0.4
217.98187	0.4
231.73866	0.4
236.54404	0.4
355.11600	0.5
378.10007	0.3
399.22211	100.0
400.17749	0.7
400.22513	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	399.2749
Annotation	Unknow
Peak:m/z	Relative Intensity
52.80965	0.3
59.01377	100.0
60.01713	1.1
60.24556	0.3
68.23402	0.3
70.38907	0.3
71.01394	0.4
73.02944	0.8
79.95734	1.9
89.02460	0.3
95.33088	0.3
95.95248	0.8
96.96000	2.5
98.19867	0.9
99.62173	0.4
118.58125	0.4
137.50526	0.4
150.36353	0.3
191.05638	0.9
200.38499	0.4
225.11736	0.4
234.73195	0.3
241.13850	0.3
267.39542	0.4
339.25449	1.4
381.17328	1.0
399.18439	35.5
400.18692	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	399.1843
Annotation	Unknow
Peak:m/z	Relative Intensity
51.36053	0.2
59.01374	0.3
70.65372	0.2
71.38654	0.3
79.75710	0.2
79.95734	7.1
80.96504	0.3
81.34143	0.2
95.95219	2.4
96.95986	0.6
110.97517	0.3
151.00679	0.4
213.30708	0.2
341.14197	0.5
381.17334	2.3
397.76663	0.2
398.14948	0.2
399.18414	100.0
400.18735	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	399.1843
Annotation	Unknow
Peak:m/z	Relative Intensity
54.00702	0.2
59.01374	1.3
66.95625	0.2
69.32687	1.1
69.33094	0.3
71.01382	0.3
79.95737	4.1
83.01363	0.3
85.02966	0.5
87.00814	0.2
93.03454	0.4
95.95229	8.4
96.96004	0.8
101.02465	0.2
115.00324	0.2
125.02442	0.2
151.00725	0.5
161.02336	0.2
173.04555	0.7
191.05620	3.7
194.09528	0.4
239.23268	0.2
240.04326	0.4
255.62392	0.2
257.71735	0.2
299.13300	0.3
323.13242	0.7
337.10587	0.2
367.15833	1.2
368.15881	0.3
381.17303	1.1
399.18430	100.0
400.18741	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	399.1842
Annotation	Unknow
Peak:m/z	Relative Intensity
54.42271	0.4
54.95606	0.4
55.01874	0.5
57.03443	1.6
59.01088	0.8
59.01377	10.0
61.98822	1.3
67.01890	1.8
68.99831	1.0
69.03442	0.9
69.33345	4.2
71.01378	9.0
72.99323	0.4
73.02976	0.7
78.95905	0.7
79.95738	5.7
83.01392	1.2
85.02949	10.7
85.03447	0.6
87.00871	3.4
89.02426	0.9
91.04009	1.0
91.05530	16.5
92.05887	0.7
93.03463	2.4
95.01389	2.0
95.95253	1.5
96.96007	24.5
97.02960	0.8
103.03961	0.6
105.76192	0.5
109.02912	0.7
111.00884	1.7
111.04543	0.8
113.02447	13.4
117.03461	3.6
127.04015	1.0
129.01941	1.1
135.03474	0.8
135.04515	14.2
139.00389	1.0
149.01228	0.5
151.04037	1.1
152.99590	1.3
159.04471	0.6
161.02394	0.8
162.03300	0.6
165.01901	0.7
171.10272	6.2
173.04536	2.0
191.05594	10.6
205.07120	4.3
249.06160	2.0
259.19220	0.6
263.07687	10.4
271.10083	0.6
281.08759	23.4
282.09109	1.7
291.01324	0.5
319.21271	2.1
337.17007	1.6
339.15039	1.4
341.14026	0.7
378.71252	0.5
381.17502	2.5
399.13055	11.9
399.18320	100.0
400.13239	1.2
400.18634	13.0
414.90997	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.1844
Annotation	Unknow
Peak:m/z	Relative Intensity
55.29117	0.1
70.59163	0.1
71.38795	0.2
73.02945	0.1
79.95736	2.7
95.95215	0.8
96.96006	0.4
141.95741	0.1
190.51451	0.1
191.05568	0.1
219.06953	0.2
230.88150	0.1
325.14713	0.6
339.16016	0.2
385.78720	0.2
399.18417	100.0
400.18741	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	399.1843
Annotation	Unknow
Peak:m/z	Relative Intensity
65.95588	0.2
71.05305	0.2
73.02937	0.6
79.95734	8.7
80.96471	0.2
93.88253	0.2
95.95222	2.4
96.96003	1.2
98.39869	0.2
109.96783	0.3
141.95752	0.8
151.00671	0.7
151.23810	0.2
209.52023	0.2
219.06915	1.2
325.14755	2.6
326.15118	0.3
339.16342	1.0
353.17847	0.6
399.18420	100.0
400.18738	13.8
411.56012	0.2
412.29437	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.1842
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	0.7
62.61937	0.2
70.34296	0.2
71.01377	0.3
71.94320	0.1
72.18761	0.1
73.02936	0.2
79.95267	0.2
79.95738	3.7
80.13331	0.1
80.96498	0.2
85.02954	0.3
89.35203	0.1
93.03436	0.6
95.95235	1.2
96.95999	0.9
101.02437	0.2
108.02151	0.2
109.03026	0.2
109.96732	0.1
111.04500	0.2
113.02454	0.2
122.87924	0.1
125.02425	0.4
137.02390	0.2
152.16968	0.1
161.02429	0.2
173.04588	0.5
177.01959	0.2
179.03450	0.2
185.89708	0.2
191.05592	2.6
219.06955	0.2
222.78915	0.2
231.06836	0.3
356.08398	0.2
399.18420	100.0
400.18747	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	399.1838
Annotation	Unknow
Peak:m/z	Relative Intensity
52.87337	0.3
57.58568	0.3
59.01376	3.5
61.98817	0.9
62.62869	0.3
71.01373	0.8
71.16261	0.6
73.02935	0.4
79.95744	1.4
85.02928	0.6
89.02438	0.4
91.67177	0.3
92.53355	0.3
95.95232	0.5
96.96006	29.6
98.95592	0.4
99.02741	0.3
101.02451	0.8
113.02447	0.4
125.09728	0.3
138.98663	0.3
149.31967	0.3
154.98056	0.9
160.62219	0.3
161.04655	0.4
175.32182	0.3
219.01198	0.5
223.09607	0.6
259.17169	0.4
341.23312	0.5
376.97324	0.4
384.08591	2.6
399.18402	100.0
400.18686	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	399.1294
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	0.6
56.48874	0.5
57.03425	1.5
57.33454	0.6
59.01374	9.4
61.98806	0.8
64.17632	0.5
65.48294	0.5
67.01886	1.8
68.99813	2.1
69.03441	1.4
70.02324	2.0
71.01379	11.3
71.45794	0.6
72.11506	0.5
72.99295	0.6
73.02942	0.7
75.02901	0.4
78.24412	0.5
79.95739	5.1
80.10755	0.5
81.03454	0.6
83.01382	1.3
85.02946	14.8
86.94968	0.5
87.00864	4.7
89.02433	1.4
91.03996	1.1
91.05528	20.4
93.03468	2.7
95.01375	2.8
95.95232	1.3
96.96004	23.2
101.02460	1.0
103.00395	1.3
107.89036	0.6
111.00871	2.1
111.04539	0.5
113.02441	16.5
117.03475	5.2
127.03989	0.9
129.01945	1.2
134.13113	0.6
135.03476	1.1
135.04517	21.0
136.04799	1.0
137.02417	0.9
139.00397	0.8
151.04001	1.1
152.99562	0.9
158.55510	0.6
161.02422	0.8
164.01056	0.8
165.01895	1.3
171.10269	5.2
173.04521	2.0
175.03966	0.7
179.23949	0.6
191.05614	11.7
205.07138	5.4
215.07144	0.6
233.08318	1.1
238.96602	0.5
242.32603	0.6
247.06461	1.0
249.06140	2.4
251.11333	0.7
259.19098	0.9
263.07681	13.7
264.08020	1.1
271.10156	0.6
281.08749	29.2
282.08987	2.1
291.01218	0.7
319.21231	2.3
337.16705	1.1
339.14944	1.5
381.17236	2.0
399.12903	19.2
399.18250	100.0
400.13242	1.7
400.18616	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	398.0878
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	2.2
61.98809	0.4
71.01373	0.5
71.61885	0.3
71.62306	0.6
72.99298	0.3
79.95734	4.2
81.03446	0.4
83.01399	0.4
85.02945	1.2
92.29185	0.3
93.03455	1.8
95.95226	1.4
96.95996	2.2
99.66159	0.3
100.43958	0.3
101.02464	0.5
104.78912	0.3
105.03410	0.4
108.02174	0.4
109.02937	7.7
110.02471	1.2
111.04506	0.6
117.03423	0.5
117.07078	0.5
119.05058	0.6
121.02944	1.2
123.04523	8.0
125.02419	1.3
131.04999	0.7
133.02927	1.2
133.06612	0.5
135.04494	1.2
137.02393	0.9
137.06036	0.6
143.04967	0.6
145.02908	0.7
147.04469	1.0
148.01616	0.6
149.02400	1.9
149.06035	2.1
150.01904	0.4
150.03119	0.4
151.03999	5.1
159.04503	1.4
161.02428	6.0
161.06079	2.4
162.03033	0.4
163.00359	0.7
163.04019	1.2
164.01125	1.2
164.03481	0.4
165.01924	0.6
165.05527	0.8
172.05086	0.3
173.02312	0.4
173.04527	1.2
173.06036	0.4
174.03122	0.4
175.03992	3.0
176.01086	3.0
177.01857	1.0
177.05510	1.8
181.12288	0.5
187.03987	1.9
189.01913	11.3
190.02682	4.5
191.03474	9.7
191.05571	6.9
193.05029	3.7
201.05518	2.4
202.02646	1.1
202.06326	0.5
203.03485	12.1
203.07011	0.4
204.00856	0.5
204.04364	3.8
205.05035	18.7
206.05307	1.1
216.00629	3.8
217.01297	1.3
217.05034	0.7
227.03401	0.8
228.04147	0.6
229.04736	0.4
230.02171	1.5
231.02946	11.2
232.03448	1.2
233.04855	2.1
234.03969	0.7
236.05568	0.9
236.37456	0.4
245.04466	2.1
246.05389	3.1
248.05595	1.0
267.09811	0.4
269.08212	0.6
281.04550	1.2
281.10272	2.3
283.13406	1.0
309.15140	0.4
311.09113	1.0
312.14511	0.4
313.06955	0.4
337.07095	1.2
354.15607	0.8
355.08203	34.8
355.15134	5.4
356.08469	3.7
358.31769	0.4
381.06119	8.1
381.17316	1.1
382.06433	1.0
398.08759	43.0
398.17291	1.4
399.09329	4.5
399.18472	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	397.2048
Annotation	Taprostene
Peak:m/z	Relative Intensity
52.72791	0.2
65.53774	0.2
71.38114	0.3
79.95735	2.2
96.96005	100.0
97.95928	0.7
107.73486	0.2
154.60039	0.2
397.20480	99.2
398.20813	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	397.2051
Annotation	Unknow
Peak:m/z	Relative Intensity
50.36464	0.2
51.02631	0.2
57.61382	0.2
68.91632	0.2
71.38697	0.5
79.95740	1.8
84.93147	0.2
96.96006	98.8
131.43976	0.2
246.12210	0.3
373.78720	0.2
397.20496	100.0
398.20782	11.6
399.88739	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.205
Annotation	Taprostene
Peak:m/z	Relative Intensity
50.39007	0.3
57.26409	0.2
59.01373	1.6
61.98818	0.4
71.01383	0.2
79.95734	2.5
85.02955	0.3
95.95213	0.3
96.96004	100.0
98.20733	0.6
125.85946	0.2
138.64859	0.3
161.02361	0.2
163.00476	0.3
176.67404	0.2
193.06604	1.5
200.24532	0.2
209.00925	0.4
224.75203	0.2
300.02609	0.6
397.20532	97.5
398.20825	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	397.1864
Annotation	Cinncassiol E
Peak:m/z	Relative Intensity
59.01093	1.3
59.01376	22.0
60.01703	1.7
61.01792	1.6
61.98821	3.1
69.70554	4.1
71.01368	4.4
72.46928	0.7
72.99304	100.0
73.02949	5.3
73.99657	0.9
74.13988	0.7
83.01392	1.4
85.02923	3.6
87.00872	2.1
87.04518	0.7
88.51775	0.7
93.03447	2.3
96.96021	4.5
99.00868	1.3
99.04540	0.9
101.02422	2.4
101.06067	5.6
104.20361	1.0
109.02956	2.9
111.00859	1.8
111.04516	1.1
113.02430	1.6
115.00364	1.3
115.07656	6.1
120.71273	0.7
121.02926	1.9
125.02464	1.1
125.06088	0.8
133.02884	0.7
133.05074	0.8
134.03716	4.8
134.04712	1.5
135.04497	2.1
137.02434	1.4
139.00342	1.0
142.06612	1.3
143.07077	1.2
147.04506	1.4
149.02443	5.7
149.06082	8.9
151.06140	0.8
161.02441	5.5
161.04480	1.1
161.06096	0.8
163.03937	1.1
163.06137	1.1
164.04810	2.9
165.01915	1.0
173.04591	4.2
173.05873	0.8
175.02513	1.2
175.03975	2.1
177.01875	1.6
178.02611	1.4
179.03516	2.2
191.05585	9.5
193.04996	7.7
203.03522	1.1
205.05045	1.0
219.02977	2.9
221.04530	1.2
222.02258	0.9
223.06087	7.5
228.25661	0.8
231.13789	0.7
233.04507	1.8
233.06665	2.9
234.06947	3.8
235.07178	4.9
237.03981	3.8
238.39616	0.7
240.07481	1.5
277.03549	1.7
293.06717	0.9
295.10397	2.0
305.17538	1.3
307.15558	1.6
307.19104	27.6
308.19476	3.0
323.18643	3.1
335.18628	14.1
336.18939	1.4
337.05658	6.0
337.18884	1.0
353.08743	0.7
353.19678	2.9
376.20892	1.1
397.10455	2.6
397.18652	94.3
398.18976	11.8
413.00308	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.1687
Annotation	Decarboxy-Norlobaric Acid
Peak:m/z	Relative Intensity
58.25811	0.2
59.01357	0.5
59.66803	0.2
69.54209	1.3
73.68716	0.2
79.94676	0.2
79.95737	6.7
80.96530	0.2
82.92647	0.2
93.03453	0.3
95.95227	14.4
96.96014	1.6
118.89429	0.2
125.02421	0.2
145.02948	0.5
151.00690	1.0
173.04518	0.3
179.03392	0.2
191.05606	0.5
259.17029	0.3
325.14853	0.3
327.54733	0.2
339.12738	0.9
379.16013	0.4
379.21182	0.2
380.16153	0.2
397.16846	100.0
398.17194	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	397.1686
Annotation	Decarboxy-Norlobaric Acid
Peak:m/z	Relative Intensity
50.40324	0.2
54.16462	0.1
56.82725	0.1
57.03431	0.2
59.01376	1.0
61.01470	0.1
61.98785	0.2
71.01390	0.8
71.62765	0.3
72.12514	0.2
73.02930	0.3
79.70364	0.2
79.95268	0.4
79.95737	7.2
80.96541	0.9
89.02430	0.2
93.14146	0.2
95.95227	1.2
96.96009	6.9
101.02405	0.2
102.89875	0.2
103.30993	0.1
110.97552	0.4
141.95793	0.5
146.74109	0.2
194.85291	0.2
203.66437	0.2
219.06880	1.1
285.18527	0.2
287.20151	2.4
288.20410	0.3
299.48447	0.2
317.20993	0.3
325.14758	4.5
326.14975	0.4
369.17334	0.6
397.16824	100.0
398.17154	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	395.1893
Annotation	3beta-Hydroxypregn-5-en-20-one sulfate
Peak:m/z	Relative Intensity
53.36235	0.2
59.01377	0.3
69.88575	1.1
79.95747	2.1
85.41052	0.2
96.96004	100.0
108.75478	0.2
198.26349	0.2
352.16422	0.2
371.56995	0.2
395.18915	95.8
396.19235	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	396.1871
Annotation	Unknow
Peak:m/z	Relative Intensity
51.57558	0.5
57.87796	0.4
59.01377	100.0
60.01727	1.3
61.98825	21.0
69.79298	1.4
69.79707	1.1
70.59910	0.5
71.01390	0.8
79.95776	0.5
96.96033	1.2
98.20648	0.5
128.22264	0.5
134.85802	0.5
242.51511	0.4
396.19968	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.044
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	1.9
71.01369	1.1
72.99314	0.8
73.02962	0.6
76.52644	0.4
78.95894	0.6
79.95737	2.9
85.02943	0.9
88.98851	0.6
96.96005	100.0
97.95934	1.0
101.02424	0.8
101.05555	0.5
108.02166	10.3
109.02945	1.9
114.93389	0.8
152.01146	8.6
153.01929	2.5
173.04677	0.7
191.04008	0.7
191.05574	3.6
192.05969	0.8
205.03302	0.6
229.89357	0.5
247.06395	0.7
299.07687	15.6
300.08075	1.2
358.82928	0.6
397.18167	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	395.098
Annotation	Unknow
Peak:m/z	Relative Intensity
54.83582	0.2
55.01859	0.4
57.03460	0.3
59.01377	100.0
60.01714	1.3
61.98823	0.7
66.24498	0.3
67.01895	0.6
69.03466	0.5
69.61430	1.2
69.61835	0.5
71.01384	3.3
72.99306	8.4
72.99731	0.4
73.02948	1.6
75.00887	0.3
81.03432	0.3
83.01390	0.5
83.05026	0.6
85.02949	2.5
87.00876	0.7
89.02460	0.9
89.81837	0.3
90.50301	0.3
93.03452	5.4
94.59664	0.3
95.01419	0.3
96.96011	0.9
98.20617	0.4
99.00882	0.7
99.04510	0.6
101.02419	2.1
109.02940	0.5
111.04521	3.3
113.02451	1.3
114.01979	0.4
119.03580	0.3
122.06077	0.4
123.00873	0.4
125.02453	0.5
127.03944	0.6
130.08705	0.3
133.02957	1.4
134.03795	0.5
134.04698	3.5
135.04514	4.8
137.02458	1.5
142.06606	1.2
143.03511	0.5
143.04611	0.3
155.03488	3.7
159.04572	0.6
161.02454	3.5
161.04568	0.6
163.03966	0.5
173.04530	18.0
174.04910	0.8
177.01967	0.3
177.05540	0.4
179.03462	3.8
191.03941	0.6
191.05609	7.8
192.05931	0.5
195.06554	0.3
203.03470	0.8
204.03014	0.3
205.05003	0.4
213.81770	0.3
215.03555	0.3
215.05531	0.5
215.98749	0.2
221.04472	0.3
222.02342	0.8
233.06641	79.0
234.06990	3.8
240.07504	0.6
240.57710	0.6
246.11472	0.3
266.08990	1.8
289.18280	0.4
303.16010	0.9
310.74777	0.3
333.17029	0.5
335.07648	0.9
335.17108	0.9
351.18008	1.1
352.11539	0.3
354.48862	0.3
357.21124	0.4
364.09238	0.4
377.16147	0.5
395.09644	1.9
395.18695	9.9
396.09656	1.2
396.18405	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.2255
Annotation	Unknow
Peak:m/z	Relative Intensity
51.01038	2.3
52.72882	2.2
57.03429	2.6
59.01095	2.4
59.01373	21.6
61.98823	6.0
67.65842	1.7
69.95202	9.9
72.67390	1.9
75.24348	1.6
96.96002	2.7
98.19977	2.5
106.14511	1.7
107.86533	1.6
113.09718	6.3
114.50683	2.0
127.11235	2.4
129.09251	4.1
136.20113	1.7
139.11258	15.8
171.10240	25.3
185.11795	3.9
193.08458	8.4
193.12454	2.3
193.91815	1.7
197.11803	5.1
199.13402	5.2
201.11345	4.4
207.10022	12.7
211.13448	11.8
213.88499	2.1
215.10516	3.1
219.09991	17.1
233.11584	28.1
249.13387	2.8
251.11360	4.4
253.09267	2.9
275.20255	2.3
293.12424	6.0
293.21259	10.2
311.22250	100.0
312.22528	11.2
315.19308	22.9
325.20245	4.5
333.20447	31.5
334.20404	2.7
341.14188	1.9
353.80832	2.0
377.19302	5.1
393.21661	13.4
394.22064	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	393.2774
Annotation	Unknow
Peak:m/z	Relative Intensity
51.57205	61.2
57.73621	64.8
59.27869	58.7
61.98821	100.0
63.30731	64.1
65.47386	69.1
67.71698	67.7
72.49362	73.2
85.60250	58.3
93.35433	64.2
97.59550	70.4
97.70448	58.6
198.49463	61.5
201.79932	72.9
278.05615	71.2
298.19705	60.8
305.68701	73.1
340.80649	72.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.2254
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	1.5
59.01094	1.7
59.01376	20.8
61.98820	13.5
69.27888	11.9
83.05025	1.7
96.95993	3.4
113.09700	3.0
123.08130	1.5
125.09720	1.4
129.09180	4.0
139.11301	9.4
142.91994	1.2
147.11758	4.5
151.11259	1.2
163.11119	1.2
165.12823	4.6
169.12276	2.5
171.10226	10.9
181.12288	2.7
185.11751	3.0
193.08459	13.2
193.12256	2.7
197.11827	6.4
199.09782	1.2
199.13362	4.0
201.41519	1.2
211.13385	13.2
215.10358	6.0
215.13644	1.8
219.10126	1.8
229.72144	1.3
233.11566	72.3
234.11836	3.4
249.13354	3.2
275.20038	1.6
279.10764	1.8
293.12466	9.7
293.21194	15.7
294.21533	1.9
311.22247	100.0
312.22519	9.5
315.19229	2.4
333.20303	8.2
334.20819	1.5
393.22501	18.5
410.76443	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.2256
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	12.2
61.98826	3.3
69.03470	0.9
69.94561	4.4
71.05022	1.4
80.91665	5.8
93.03458	1.7
96.96004	2.5
97.02940	1.6
125.09811	1.0
136.08881	1.5
154.10002	2.7
155.10831	1.3
177.12823	1.9
195.13924	2.7
211.13388	1.3
219.10033	3.0
233.11528	2.2
235.13031	1.1
244.10751	2.4
245.35840	1.0
247.20581	1.6
249.22237	3.4
258.12332	2.4
262.11826	10.1
293.21201	54.0
294.21475	6.3
305.19852	1.7
307.21356	1.2
311.22232	75.4
312.22589	9.2
315.19357	10.7
316.19708	1.2
333.20349	100.0
334.20615	12.6
393.16306	1.1
393.21967	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.2254
Annotation	Unknow
Peak:m/z	Relative Intensity
52.11779	1.7
59.01374	14.0
61.98816	4.6
63.21218	1.8
71.01373	11.9
71.40445	1.8
71.61163	1.4
80.91669	4.9
125.99371	2.8
139.11288	2.0
141.12907	2.2
165.01668	5.7
167.10802	4.0
183.10226	2.1
185.11694	2.2
193.04805	4.3
195.96049	2.1
221.07837	3.3
222.08699	76.3
223.08975	4.4
236.10262	53.3
237.10649	4.1
254.07706	6.9
265.21570	2.2
282.09534	14.3
293.21167	6.0
296.10983	2.1
311.22229	58.8
312.22491	6.0
333.20413	100.0
334.20700	8.6
351.20041	2.3
393.21350	5.1
413.70837	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.1763
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	3.6
57.03432	2.4
57.03696	0.5
58.00598	1.0
59.01377	48.1
60.01716	0.8
65.43089	0.5
67.01908	0.5
69.03441	1.6
70.10181	0.6
71.01380	40.9
72.01715	1.0
72.99290	2.4
73.02944	21.4
75.00848	0.9
79.27557	0.5
83.01382	8.5
85.02946	22.2
86.00062	0.6
87.00856	3.5
89.02433	8.2
90.02705	0.6
93.03443	3.9
94.03806	0.6
95.01371	3.1
96.96018	2.8
97.02935	2.1
99.00880	9.1
99.04511	0.9
99.08151	0.6
101.02438	42.3
102.02777	1.0
109.02961	0.9
111.00857	1.3
113.02443	17.8
115.04051	0.9
119.03524	0.8
120.01286	0.6
125.02439	3.6
127.03970	0.8
129.01939	1.0
131.03497	2.6
133.02956	1.3
135.04503	1.2
139.13716	0.6
143.03500	1.9
147.04497	1.9
159.01854	0.5
159.02979	3.9
161.02490	0.9
161.04543	16.4
173.04547	4.5
173.05751	0.7
174.04944	0.9
191.05582	13.1
192.05873	2.0
193.06094	3.9
202.62895	0.6
205.03561	0.9
209.05991	0.5
233.06711	1.4
261.13397	64.0
262.13766	3.2
269.08276	1.4
293.08820	1.0
305.12448	1.0
320.57486	0.6
333.15207	0.9
355.09171	1.6
393.17633	100.0
394.17999	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	391.2619
Annotation	Unknow
Peak:m/z	Relative Intensity
58.09502	4.6
59.01377	100.0
64.50187	4.0
71.51614	7.2
76.90462	4.4
96.95984	9.8
152.99612	9.4
167.32469	4.9
206.97284	4.3
216.22490	4.6
251.29291	4.5
255.23268	36.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	392.2289
Annotation	Unknow
Peak:m/z	Relative Intensity
54.37936	0.2
59.01376	4.4
61.98825	100.0
69.96392	1.2
79.95737	0.3
93.03470	0.6
96.96011	0.6
98.20597	0.3
121.02954	0.4
148.96567	0.3
153.52916	0.3
158.83597	0.2
171.28105	0.2
173.04483	1.4
209.06387	0.3
255.03033	1.3
283.02551	0.7
298.04813	3.8
313.07114	1.9
320.86093	0.3
349.23938	0.7
393.02765	1.7
393.23080	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.1763
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	3.6
57.03432	2.4
57.03696	0.5
58.00598	1.0
59.01377	48.1
60.01716	0.8
65.43089	0.5
67.01908	0.5
69.03441	1.6
70.10181	0.6
71.01380	40.9
72.01715	1.0
72.99290	2.4
73.02944	21.4
75.00848	0.9
79.27557	0.5
83.01382	8.5
85.02946	22.2
86.00062	0.6
87.00856	3.5
89.02433	8.2
90.02705	0.6
93.03443	3.9
94.03806	0.6
95.01371	3.1
96.96018	2.8
97.02935	2.1
99.00880	9.1
99.04511	0.9
99.08151	0.6
101.02438	42.3
102.02777	1.0
109.02961	0.9
111.00857	1.3
113.02443	17.8
115.04051	0.9
119.03524	0.8
120.01286	0.6
125.02439	3.6
127.03970	0.8
129.01939	1.0
131.03497	2.6
133.02956	1.3
135.04503	1.2
139.13716	0.6
143.03500	1.9
147.04497	1.9
159.01854	0.5
159.02979	3.9
161.02490	0.9
161.04543	16.4
173.04547	4.5
173.05751	0.7
174.04944	0.9
191.05582	13.1
192.05873	2.0
193.06094	3.9
202.62895	0.6
205.03561	0.9
209.05991	0.5
233.06711	1.4
261.13397	64.0
262.13766	3.2
269.08276	1.4
293.08820	1.0
305.12448	1.0
320.57486	0.6
333.15207	0.9
355.09171	1.6
393.17633	100.0
394.17999	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	391.2124
Annotation	Sinuolatin C
Peak:m/z	Relative Intensity
54.50755	0.3
59.01375	100.0
60.01714	1.1
61.98829	1.3
62.91677	0.3
66.73394	0.3
71.61411	0.5
73.02953	1.1
74.48430	0.2
76.79759	0.3
77.91959	0.2
80.77583	0.3
91.43007	0.3
110.65830	0.3
123.32041	0.3
186.33740	0.3
241.39560	0.3
255.14008	0.5
296.38861	0.3
299.37692	0.3
308.84116	0.3
313.18088	1.0
331.19058	3.0
332.19351	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1973
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	0.7
57.03442	1.1
58.00599	1.2
59.01376	100.0
60.01712	1.4
61.46741	0.3
61.98821	0.6
69.03451	1.0
69.52868	2.5
71.01378	20.0
72.01727	0.6
72.99305	1.0
73.02943	10.6
73.03345	0.7
75.00865	0.3
81.03454	0.5
83.01385	4.3
85.02953	6.4
87.00879	1.5
87.04530	0.9
89.02440	16.4
93.03484	0.9
95.01384	1.8
97.02956	0.3
99.00902	1.1
100.42392	0.3
101.02439	17.6
101.06083	0.7
113.02447	9.0
119.03487	5.8
125.02480	1.0
131.03511	1.3
135.04561	1.0
142.06645	0.7
143.03490	2.0
149.04596	1.0
155.03514	0.6
160.04074	0.4
161.02454	0.4
161.04562	5.8
167.58516	0.4
168.10887	0.3
170.11026	0.4
172.20930	0.3
173.04605	0.8
179.05592	3.5
185.11807	0.5
187.13387	7.8
188.13745	0.6
191.05618	7.1
192.04150	0.4
192.05922	0.6
193.06248	0.4
203.05664	0.4
212.13803	0.4
216.08859	0.5
221.06593	0.4
229.14447	0.4
282.90179	0.3
309.51218	0.3
331.17572	5.1
341.11249	0.3
349.18646	19.0
350.19006	1.6
353.08871	1.4
391.06201	0.6
391.19736	2.7
392.20386	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.2097
Annotation	Unknow
Peak:m/z	Relative Intensity
54.51833	1.3
55.96279	1.5
59.01376	30.6
61.98819	5.2
63.05389	1.2
69.03458	5.0
69.85833	6.7
71.01389	1.6
80.91685	7.6
83.01376	1.9
91.35140	1.2
95.79864	1.2
96.96010	4.8
97.02948	17.8
98.19930	1.7
111.04514	3.7
123.08081	1.6
137.09697	3.3
151.11250	3.0
153.09154	1.2
171.10284	1.7
171.84738	1.2
177.12787	2.2
189.54378	1.3
191.03455	1.2
195.12195	1.2
195.13889	4.2
205.03566	1.7
207.09978	2.3
209.72166	1.2
221.11827	3.8
233.11554	3.4
239.12817	2.2
240.13521	1.6
245.11642	2.0
247.20654	4.6
261.11084	4.6
262.11829	100.0
263.12247	5.8
269.88116	1.3
291.19641	55.8
292.19995	5.7
294.09500	2.0
298.74747	1.3
309.20679	49.3
310.20966	4.4
313.17816	2.8
322.12668	6.7
331.18860	51.1
332.19107	4.2
391.17740	1.4
391.24918	2.3
391.29834	12.5
392.29901	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	390.2129
Annotation	Unknow
Peak:m/z	Relative Intensity
52.57510	0.4
59.01375	4.5
61.98825	100.0
68.06263	0.4
70.99506	1.0
77.20450	0.3
101.06443	0.4
111.63828	0.3
120.01242	1.5
137.68562	0.4
194.75073	0.4
245.49982	0.4
261.95840	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	390.213
Annotation	Unknow
Peak:m/z	Relative Intensity
50.72504	0.3
50.86287	0.3
56.23838	0.3
57.80831	0.3
59.01368	3.3
61.98826	100.0
67.43771	0.3
71.01376	0.3
79.03429	0.4
96.96023	0.7
260.40292	0.3
387.68549	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.0799
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03457	0.7
58.02999	0.8
59.01377	100.0
60.01714	1.1
61.32655	0.7
65.03465	0.6
71.01377	10.6
71.61823	0.8
72.99336	0.7
73.02953	3.3
74.02467	0.9
75.92215	0.7
80.47972	0.7
82.02998	0.7
83.01382	2.7
85.02941	5.6
87.00886	1.2
89.02442	1.9
93.03477	2.5
95.01372	1.4
96.96033	2.7
99.00923	1.5
101.02439	8.5
102.05609	1.2
112.04012	0.9
113.02424	4.1
119.03573	0.9
125.02386	0.8
128.03568	1.0
133.03047	0.7
135.04549	3.1
137.02510	0.9
140.07166	0.9
145.02975	1.2
146.04601	0.9
149.06120	1.4
151.00412	1.8
155.08249	1.4
161.02469	4.2
161.04597	4.3
161.05885	1.0
165.06793	1.0
165.32683	0.8
169.25974	0.8
173.04559	2.6
183.07750	1.7
185.06073	4.6
191.05553	7.2
192.06055	0.8
213.02061	0.8
217.10796	1.5
227.06801	2.8
229.05038	8.8
261.05603	2.7
269.10281	8.9
289.06998	1.0
311.11472	2.4
312.63373	1.0
323.07867	1.3
331.17679	1.2
345.13419	1.0
373.13312	1.1
390.63895	0.8
391.10211	1.5
391.14554	1.5
391.19617	1.6
392.12885	1.0
392.21109	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1048
Annotation	Chemomicin A
Peak:m/z	Relative Intensity
50.03442	0.2
58.62750	0.2
61.01013	0.5
61.98823	0.5
69.03448	0.8
71.01366	0.4
71.54669	0.3
73.02942	0.8
83.05006	0.4
85.02955	0.3
93.03443	3.6
99.00859	0.4
99.04509	1.3
102.86616	0.2
111.00893	0.4
111.04493	1.5
113.02437	1.1
115.00352	0.7
137.02440	1.0
139.40056	0.2
143.03467	1.0
147.02969	0.7
152.90263	0.2
155.03458	0.6
155.05215	0.3
173.04530	1.9
191.05618	0.5
199.04141	3.4
217.05208	6.8
218.05505	0.3
373.25839	0.3
391.10501	100.0
392.10910	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	389.2905
Annotation	Unknow
Peak:m/z	Relative Intensity
54.38651	0.9
59.01377	100.0
67.57932	1.0
71.45712	2.6
85.50181	1.3
103.13786	1.1
106.14383	1.1
110.56884	1.0
131.65584	1.0
144.46063	1.4
262.12555	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	390.0529
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03411	1.1
57.20287	0.9
59.01379	38.4
61.54964	1.0
61.98832	2.5
63.96230	3.4
68.02534	80.5
69.02819	1.0
71.01367	1.9
73.70508	1.0
73.75740	0.9
79.95725	2.4
89.02434	1.9
95.95230	7.9
96.96001	22.0
99.04506	4.2
108.02141	1.8
109.01152	2.7
121.02950	3.0
125.00628	2.9
125.09689	1.4
126.99558	100.0
127.99892	2.5
135.04491	1.3
147.98235	13.0
151.99377	8.2
152.08211	1.1
153.00162	7.8
155.10681	1.2
157.12350	1.8
187.13310	2.8
189.26155	1.1
199.05998	1.1
206.95250	3.7
243.02470	2.0
243.04842	21.5
244.05118	2.7
261.05832	2.7
262.05078	1.7
321.01907	1.6
329.23331	3.3
330.23489	1.7
338.55786	1.1
347.24344	15.1
348.24615	4.6
389.25427	6.3
390.05280	86.3
390.25766	3.3
391.05585	7.3
399.79562	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	390.213
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	0.6
60.15446	0.4
61.98826	100.0
70.36641	1.5
75.23844	0.5
76.16088	0.5
82.12400	0.5
92.51900	0.5
98.35888	0.5
197.91284	0.5
212.72600	0.4
239.85208	0.5
261.65927	0.5
303.55249	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	390.2129
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	7.6
61.98824	100.0
71.61857	0.6
75.35931	0.5
79.95745	1.5
88.36324	0.5
96.95990	3.5
120.79842	0.5
137.29601	0.4
146.12277	0.5
331.18887	0.8
391.18054	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	389.2905
Annotation	Unknow
Peak:m/z	Relative Intensity
50.73454	0.4
59.01375	100.0
60.01712	1.3
69.78558	2.0
80.96515	2.0
197.11909	1.0
237.22409	0.5
255.23335	1.0
299.04309	0.7
389.19141	1.9
389.69666	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.246
Annotation	Unknow
Peak:m/z	Relative Intensity
53.22848	20.8
58.96323	21.4
59.01375	100.0
61.98792	34.1
65.83406	21.8
66.30470	21.5
80.96519	35.0
123.95425	21.5
168.90044	25.0
270.46652	22.8
319.88913	24.7
352.94257	21.2
413.07779	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	389.2461
Annotation	Unknow
Peak:m/z	Relative Intensity
51.14140	17.7
59.01381	100.0
67.00549	15.2
71.61767	22.8
82.74280	15.1
108.23509	18.8
138.44812	22.4
226.98328	18.1
243.26735	21.0
263.91522	20.5
364.62943	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	389.1941
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	5.8
59.01096	4.3
59.01378	70.3
61.98818	11.6
69.03468	2.8
71.18351	5.2
80.91680	3.4
81.03468	5.3
83.01385	10.3
83.05011	5.9
93.03473	3.7
95.05039	5.3
96.96989	3.2
97.02933	4.2
97.06573	10.3
107.29472	2.9
123.04522	11.0
123.08149	4.1
125.06050	3.9
125.09721	19.7
135.08156	3.2
137.09698	9.7
149.06007	4.4
163.11263	15.7
179.10698	4.2
181.12329	6.8
185.11777	10.3
191.10806	4.6
191.14420	15.7
207.10152	14.0
209.11812	78.3
210.12086	4.4
214.44899	3.2
225.11224	8.6
231.09985	51.3
233.11621	3.4
245.19080	31.3
249.11076	3.4
271.17059	5.2
289.18060	100.0
290.18420	6.5
291.19559	6.2
307.19077	62.6
308.19370	5.9
317.17200	8.4
329.17438	17.2
389.19531	16.1
389.26996	10.9
390.19635	4.2
392.97900	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	389.1968
Annotation	Oreskaurin B
Peak:m/z	Relative Intensity
52.79382	0.4
59.01375	100.0
59.74028	0.3
60.01704	0.9
61.98825	8.3
69.33723	2.3
69.34140	1.0
69.49760	0.4
71.01384	0.9
73.02950	2.5
73.30831	0.3
77.85706	0.3
79.95731	0.9
96.96017	1.7
98.19898	0.7
101.02465	0.6
109.51954	0.4
119.02007	0.3
119.05017	2.9
122.96543	0.4
124.23766	0.4
163.03986	2.4
197.41431	0.4
208.51997	0.4
311.16595	0.9
329.17535	5.0
330.18015	0.6
341.30234	0.4
389.16669	0.9
389.21381	8.1
389.29065	0.4
389.71631	5.0
390.21710	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.218
Annotation	Unknow
Peak:m/z	Relative Intensity
51.50507	3.0
52.76707	3.1
56.78833	2.5
58.05276	3.1
59.01103	5.5
59.01379	66.3
61.98829	19.0
68.02521	7.5
71.01376	6.6
71.62407	5.7
72.99285	2.6
73.11724	2.8
73.48956	2.9
79.95723	4.6
80.96503	4.3
89.02387	3.1
93.03475	3.1
96.95970	14.8
99.08157	5.5
101.02441	4.9
111.08121	3.2
113.02425	5.1
126.99502	4.5
129.09209	10.8
134.27217	3.5
142.99025	3.6
143.10736	6.1
160.82889	3.0
162.88316	2.8
191.05577	6.6
226.61722	2.8
227.20154	3.2
257.21179	12.0
276.50711	3.0
285.20642	20.8
303.21747	100.0
304.22025	9.6
304.51263	2.8
345.22702	32.7
372.11865	4.4
389.16275	6.3
390.05258	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	389.1239
Annotation	Resveratroloside
Peak:m/z	Relative Intensity
57.03434	0.3
58.00595	0.3
59.01098	0.4
59.01377	6.8
59.59734	0.2
61.98822	0.6
68.84089	0.3
71.01382	2.4
71.62825	0.3
72.99313	0.4
73.02943	0.6
78.95902	0.3
81.03464	0.3
84.04533	0.4
85.02941	1.3
87.00870	0.6
88.04041	0.5
89.02444	0.4
93.03443	0.9
96.96017	1.6
97.06628	0.3
99.00866	0.6
101.02427	1.2
113.02428	1.2
114.39051	0.3
115.00320	0.4
119.03460	0.3
119.05050	0.8
128.03529	0.4
135.04550	0.4
135.06657	0.4
137.02441	0.4
141.07094	0.9
143.05008	6.9
144.05353	0.6
145.02924	0.4
149.02478	0.3
157.06584	1.6
159.08076	1.8
161.02393	0.3
161.04500	0.3
162.02281	1.5
173.04601	0.3
181.06610	0.6
182.07303	0.8
183.08116	2.6
184.08476	0.3
185.06064	11.9
186.06412	1.0
187.11166	0.3
191.05618	1.5
205.12369	0.3
209.06065	0.3
217.09036	0.5
218.03085	0.2
225.05612	0.3
227.07120	100.0
228.07458	8.2
231.07083	0.3
232.20528	0.2
249.06223	0.4
249.08635	1.6
256.09454	0.3
267.07202	0.8
269.04498	0.5
275.18683	0.3
340.12830	0.2
379.62369	0.3
388.99106	0.3
389.12430	1.1
389.18063	1.3
389.25671	2.1
390.21494	1.6
390.25665	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	388.1973
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98826	100.0
71.38238	0.7
72.29631	0.4
72.51548	0.4
83.09255	0.5
92.21078	0.5
98.61476	0.4
103.99351	0.5
107.43626	0.4
123.80656	0.4
198.70912	0.4
220.96645	0.4
234.22511	0.4
254.48045	0.4
414.87128	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	388.1975
Annotation	Unknow
Peak:m/z	Relative Intensity
57.14299	0.3
59.01376	1.0
61.98827	100.0
62.98565	0.6
70.47150	1.2
78.16644	0.5
209.11952	0.7
307.19232	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	388.1973
Annotation	Unknow
Peak:m/z	Relative Intensity
52.30531	0.3
52.41514	0.3
53.24140	0.3
59.01381	1.0
61.87453	0.3
61.98825	100.0
62.98544	0.3
63.55356	0.3
69.33368	0.9
69.33785	1.6
72.56686	0.3
98.19837	0.5
121.63831	0.2
124.36897	0.3
129.01006	0.3
175.00882	0.3
216.45549	0.3
246.38608	0.3
351.39819	0.3
397.17688	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.0641
Annotation	Unknow
Peak:m/z	Relative Intensity
56.03556	0.5
58.00586	0.5
58.07427	0.5
59.01385	4.9
60.99296	1.1
61.98830	0.5
67.01878	2.8
69.03455	0.8
71.01385	3.2
72.99300	0.8
77.53502	0.6
77.93525	0.5
85.02939	7.0
87.00867	4.5
91.60369	0.5
93.03448	22.1
94.03809	0.9
96.96021	0.7
99.00848	1.0
101.02419	1.0
105.87047	0.6
107.05040	1.1
108.93142	0.5
109.02937	1.5
111.04505	4.0
113.02447	0.7
119.03465	0.8
127.03979	1.8
129.01942	0.7
135.04520	24.7
136.04846	1.4
137.02412	1.3
155.03474	1.4
161.02452	2.1
173.04538	31.7
174.04857	1.4
179.03470	8.8
186.73831	0.5
191.05602	100.0
192.05969	4.0
202.69719	0.5
353.08755	41.0
354.09097	4.7
389.06342	6.3
389.18002	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	387.2303
Annotation	Unknow
Peak:m/z	Relative Intensity
53.13808	31.3
59.01376	100.0
61.98825	33.7
71.62066	50.5
82.31900	27.3
86.99150	27.7
87.00871	39.1
195.47577	34.2
220.19791	34.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	388.1974
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98826	100.0
65.51179	0.6
67.75337	0.7
70.83732	1.4
136.31223	0.6
154.30492	0.6
215.68729	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	388.1973
Annotation	Unknow
Peak:m/z	Relative Intensity
50.29590	0.6
59.01380	5.4
61.98826	100.0
66.79269	0.6
69.94225	2.0
71.01394	1.0
72.12646	0.6
79.95741	1.6
92.86169	0.6
96.96022	2.7
97.06599	0.6
134.03737	0.7
190.24222	0.6
191.05576	1.0
269.87039	0.7
291.19519	0.7
292.55133	0.6
376.57654	0.6
389.16440	2.5
392.83716	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.2304
Annotation	Unknow
Peak:m/z	Relative Intensity
52.38475	20.8
57.75655	24.2
59.01375	100.0
61.98828	45.6
70.86443	68.6
77.01629	27.2
77.02076	24.7
87.00828	21.7
96.52653	21.0
188.35817	22.5
271.43909	25.8
287.39462	21.9
377.02716	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	387.202
Annotation	Unknow
Peak:m/z	Relative Intensity
53.21567	0.2
55.01870	2.0
57.03445	2.8
58.00592	1.8
59.01376	52.4
60.01710	0.5
68.99820	0.3
69.03449	0.7
71.01377	36.7
71.05023	0.4
72.01723	0.6
72.99298	3.0
73.02942	6.1
75.00853	0.5
78.17789	0.2
82.14164	0.2
82.44363	0.2
83.01380	4.4
85.02947	12.7
86.03288	0.3
87.00872	2.0
89.02439	29.1
90.02798	0.4
93.03455	0.5
95.01382	3.0
96.01675	0.2
96.96006	1.7
97.02936	0.6
99.00874	2.1
101.02435	29.2
102.02766	0.6
108.02146	0.3
111.00863	0.6
113.02441	15.2
114.02753	0.4
115.03982	0.2
119.03493	13.5
121.02947	0.4
123.00865	1.0
123.04424	0.3
123.08146	0.3
125.02435	1.5
129.01932	0.3
131.03519	1.2
135.04541	0.4
137.02481	0.3
137.09721	1.1
139.00392	0.3
141.01868	0.3
143.03487	1.5
149.04529	0.8
151.00397	0.6
151.07628	0.3
151.11270	0.4
152.08391	1.0
153.12846	0.5
159.02951	1.3
161.04536	4.6
163.11226	0.4
169.01405	1.0
173.04590	0.7
179.05626	1.9
179.14407	0.4
181.12338	0.6
189.12868	0.3
191.05579	1.4
195.13885	1.6
197.15437	1.6
198.63914	0.3
207.13925	2.0
212.49915	0.2
225.07732	0.4
225.14941	14.3
226.15147	1.1
245.09349	0.3
334.79922	0.2
387.13177	4.1
387.20206	100.0
388.12723	0.6
388.20535	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	387.1083
Annotation	Emmaosunin
Peak:m/z	Relative Intensity
52.36785	0.6
59.01378	3.4
61.98829	0.6
69.80047	2.2
71.01381	3.6
73.02953	1.2
79.95731	0.6
83.01363	0.9
85.02958	1.5
89.02430	0.8
91.01936	0.5
93.03449	1.2
96.96033	2.6
96.99297	3.4
98.19882	1.1
101.02410	0.8
108.02182	1.4
109.02952	15.9
115.00350	3.2
117.03450	0.8
119.05047	1.0
121.02952	4.6
123.04521	5.6
124.01680	0.9
125.02418	0.7
125.28114	0.6
132.31409	0.6
133.02965	1.5
134.03734	18.7
135.04506	1.3
137.02425	4.0
145.02943	14.2
146.03731	13.8
147.04539	10.7
148.01724	0.7
148.05193	2.4
149.02463	0.6
149.06046	2.0
150.03229	1.3
151.04036	1.0
158.03737	3.8
159.04500	11.2
160.01640	0.9
160.05272	2.6
161.02386	1.3
161.04697	0.6
161.06049	10.5
162.06860	1.3
163.03889	1.4
173.02411	1.2
173.04619	1.3
173.06065	2.3
174.03175	0.7
175.03934	2.0
177.05531	2.5
178.02710	3.8
179.03444	1.4
185.06079	0.9
186.03233	1.1
187.03990	1.3
188.04741	0.7
189.01668	0.9
191.05602	2.5
193.05035	5.8
201.05383	0.6
213.05530	2.8
232.03783	1.1
239.07108	2.1
241.05064	10.9
242.05479	0.9
249.05547	1.5
250.06252	1.5
251.07066	1.1
252.04376	1.0
252.07834	0.9
253.08377	0.6
254.05708	0.6
256.07370	9.2
257.07935	0.7
266.05841	6.3
267.06570	9.9
268.07327	5.3
269.08151	11.3
271.09641	1.7
277.05066	2.1
278.05811	1.2
279.06540	1.0
281.08182	5.1
282.08939	7.7
283.09705	7.5
284.10519	41.3
285.10840	3.6
293.08261	0.6
294.05380	2.0
295.06122	13.3
296.06628	1.6
297.11252	1.9
299.12888	2.1
309.07651	2.9
310.08405	11.7
311.09366	0.7
313.10870	2.7
325.10620	3.6
326.11148	0.7
339.05051	0.7
343.11765	1.6
344.12494	0.7
354.07556	3.4
369.09708	2.2
387.10825	100.0
388.11212	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	387.1447
Annotation	Renealtin A
Peak:m/z	Relative Intensity
53.17988	0.8
57.03434	2.6
57.16420	0.8
59.01373	2.4
63.89688	0.7
69.03435	1.0
70.62362	2.3
76.67967	0.8
77.79269	0.7
79.10172	0.7
81.03456	3.1
83.01374	4.5
93.03468	1.9
95.01363	0.9
95.05035	3.3
97.02953	9.1
108.02208	1.3
109.02940	31.5
110.03274	1.1
117.03465	0.9
121.02959	4.0
122.03727	1.8
123.04517	23.3
125.01513	1.0
125.02430	18.1
135.04526	3.3
137.02443	11.3
138.03239	1.4
139.04010	5.3
145.02910	1.3
146.03699	1.4
147.04439	1.0
149.02434	6.6
149.06049	1.0
150.03178	1.3
151.03989	11.0
159.04507	3.6
160.05267	2.1
161.02419	2.5
161.06099	9.2
162.03249	2.9
163.03951	2.7
164.01164	3.2
165.01888	5.5
166.02666	1.3
167.03484	1.6
173.05971	1.5
174.03125	0.9
175.03978	4.7
175.07664	1.8
177.05533	1.5
179.03474	6.1
179.07088	1.9
185.06105	0.9
185.10417	0.9
187.03957	8.4
188.04715	3.8
191.05351	0.8
191.07076	1.2
199.07613	1.6
202.06328	2.9
203.03226	0.8
203.07120	17.3
204.07394	1.5
205.05020	13.1
221.08249	4.2
227.07068	3.0
230.05707	1.3
233.08134	1.3
234.24022	0.9
245.08177	21.1
246.08383	2.0
247.06157	2.6
271.06140	1.7
289.07159	100.0
290.07480	10.2
299.12869	2.0
343.11871	15.7
343.15820	1.7
344.12158	1.1
345.22772	1.2
387.14462	42.0
388.14618	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	387.1064
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	23.4
61.98829	54.9
69.03451	3.0
70.42675	1.1
70.75726	2.7
70.76056	1.4
71.01379	22.8
73.02943	3.6
75.00863	1.2
78.95926	1.3
81.03448	2.8
82.31602	1.1
83.01365	2.0
85.02940	5.7
85.06584	100.0
86.06934	4.0
87.00871	19.9
87.04484	1.3
89.02441	28.2
93.03450	20.9
94.03763	1.5
96.96011	5.6
97.02966	3.2
99.00877	4.3
101.02448	6.9
109.02959	2.1
113.02419	3.2
113.06088	18.0
115.04028	2.8
119.03463	2.1
123.04498	2.5
125.02448	15.2
127.04090	1.3
129.05582	15.0
131.03493	3.4
135.04541	1.3
135.15193	1.1
137.02448	1.8
138.03214	12.3
149.04512	3.2
150.03130	1.3
153.05542	4.1
161.04523	1.6
162.02330	1.2
165.05536	3.1
168.04276	20.8
173.04564	2.9
180.97374	1.1
183.06607	40.6
184.06964	1.8
189.07658	26.8
190.07970	1.6
191.05592	33.0
192.05933	7.7
192.07422	1.3
208.97462	1.1
233.06595	12.1
240.07491	7.7
271.06146	1.3
286.29462	1.2
293.08765	14.2
334.20001	1.1
341.55481	1.2
383.19019	1.5
387.16556	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1081
Annotation	epoxytwinol A
Peak:m/z	Relative Intensity
57.99269	0.5
59.01366	0.8
61.43131	0.5
65.00314	1.3
70.36385	1.5
71.01431	0.5
89.03965	1.0
91.01890	4.8
96.99311	5.7
108.02164	1.5
109.02960	4.7
111.00844	0.7
113.51198	0.5
117.03444	2.0
121.02929	0.6
123.04522	7.5
124.01680	0.5
125.02612	0.5
130.91951	0.5
133.02946	0.6
134.03734	26.9
135.04118	0.7
137.02415	0.9
145.02924	3.1
146.03741	9.7
147.04536	4.5
148.01625	1.9
148.05278	1.2
149.06055	2.6
153.05530	0.8
158.03728	7.8
159.04497	16.0
160.01663	1.4
160.04898	0.9
161.06073	5.0
163.03992	2.4
173.06053	5.6
174.03186	1.0
175.03987	1.7
178.02718	3.2
187.03989	1.2
193.05051	8.9
224.68539	0.5
239.07167	1.1
241.05086	1.5
249.05550	1.2
250.06345	1.1
256.07397	1.4
265.08765	0.8
266.05850	5.3
267.06573	5.8
268.07217	2.4
269.08017	1.2
271.09744	1.2
277.04974	1.2
280.07440	1.5
281.08167	9.8
281.11020	1.0
282.08817	4.7
283.09671	3.1
284.10461	3.0
293.05075	0.6
294.05264	0.8
295.06097	12.1
296.06531	1.2
309.07687	2.2
310.08438	9.1
311.09009	0.8
325.10858	7.5
339.04865	0.7
354.07434	2.2
369.09644	3.7
387.10815	100.0
388.11191	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	386.1819
Annotation	Unknow
Peak:m/z	Relative Intensity
51.12601	0.5
59.01385	1.2
61.98828	100.0
70.98795	1.3
72.78239	0.5
82.72562	0.5
96.95993	0.9
100.48285	0.5
112.88159	0.5
113.84637	0.5
114.93288	0.5
116.93362	0.4
117.87592	0.4
389.52710	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.0383
Annotation	Unknow
Peak:m/z	Relative Intensity
53.90097	0.5
59.01093	1.1
59.01377	16.2
60.91533	0.5
69.74148	2.7
71.01376	3.7
72.99306	1.4
78.95901	16.3
79.95758	2.7
85.02955	1.2
89.02448	3.6
93.03439	0.6
96.96008	100.0
96.96958	36.4
101.02439	2.4
113.02448	1.7
119.03539	0.8
119.46937	0.5
121.02937	1.2
125.02496	0.7
147.77155	0.6
152.56073	0.6
163.11276	0.8
181.05063	0.7
191.05608	1.0
205.05049	0.6
207.10281	3.2
245.08197	0.7
268.07507	0.6
269.07721	0.8
289.07050	4.9
317.24896	0.5
387.12836	0.9
387.16629	20.7
388.17029	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	387.1062
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	34.8
61.64328	1.1
61.98825	57.8
62.35005	1.4
69.03439	3.3
69.50500	5.0
69.50920	4.2
71.01378	30.3
72.99297	1.9
73.02941	3.2
74.02478	1.2
75.00842	1.8
81.03458	1.5
83.01380	4.0
85.02947	10.2
85.06588	100.0
86.06928	3.8
87.00873	15.8
89.02444	38.0
93.03452	23.0
94.03780	1.1
95.01395	2.3
96.96008	6.0
97.02929	4.4
99.00888	6.7
101.02416	8.3
109.02915	2.1
113.02451	5.5
113.06081	20.3
115.04001	3.8
121.03014	1.4
123.04508	1.9
125.01608	2.1
125.02439	21.2
127.04069	2.1
129.05574	16.4
130.05910	1.3
131.03499	3.9
135.04573	1.4
137.02423	3.5
138.03210	21.9
141.01378	1.2
147.02649	1.2
149.04491	6.0
150.03252	1.8
151.03918	1.1
153.05586	7.7
159.44119	1.1
161.02449	2.3
165.05550	4.0
168.04279	27.3
173.04541	4.5
183.06615	52.1
184.06949	1.7
189.07687	23.8
191.05614	37.3
192.05937	7.3
197.02084	1.4
233.06679	14.4
240.07449	7.5
293.08792	19.5
294.09180	1.5
354.91208	1.2
359.20792	1.3
383.19000	2.4
387.12485	2.6
387.16882	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	386.1818
Annotation	Unknow
Peak:m/z	Relative Intensity
51.67712	0.8
53.63522	0.8
54.26125	0.8
59.01373	3.7
61.98825	100.0
71.61675	1.0
71.62093	0.9
79.95709	3.0
96.96004	1.5
137.02440	1.7
153.25835	0.9
162.83868	1.4
191.05527	1.3
194.47195	1.0
223.13528	1.1
224.13684	1.0
385.97382	1.0
386.08627	1.3
386.20810	15.3
387.20471	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	386.1819
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	1.5
61.98828	100.0
64.31776	0.3
69.30891	0.4
69.31300	2.0
94.08487	0.2
96.96004	0.3
98.20567	0.5
153.01576	0.2
209.11858	0.4
218.29384	0.3
237.17294	0.3
278.92844	0.3
305.17691	1.0
371.91727	0.3
386.20264	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1289
Annotation	(3R)-5,7,2',3'-Tetrahydroxy-4'-methoxy-5'-prenylisoflavanone
Peak:m/z	Relative Intensity
57.03447	9.0
59.01366	1.9
59.85423	0.9
69.03458	2.7
69.40030	2.5
69.40446	4.6
70.63549	0.8
81.03444	5.3
83.01392	11.9
83.05028	1.4
93.03444	3.8
95.01386	1.1
95.05031	3.8
97.02954	7.5
98.95599	2.2
99.04510	2.8
103.22322	0.9
107.05019	2.3
108.02182	2.0
109.02941	10.7
121.02962	5.4
122.03732	4.1
123.04507	3.5
124.01633	2.1
125.02438	46.7
126.02734	1.2
126.09211	1.0
133.02982	1.6
135.04521	4.6
137.02438	100.0
138.02768	2.8
139.03987	3.6
144.07738	0.9
145.26892	0.8
146.03749	14.1
147.04503	1.7
149.02412	3.9
149.06108	2.2
150.03218	14.7
151.04010	4.9
152.01181	1.4
157.06488	1.0
157.34505	0.9
158.03712	1.1
159.04486	3.8
160.05299	1.6
161.02406	3.2
161.06053	1.3
163.03993	1.0
164.01154	16.7
165.01920	57.4
166.02322	2.6
167.03487	21.6
171.04544	1.2
172.05258	7.3
173.06044	10.1
174.03244	7.4
174.06810	3.9
175.04056	5.6
175.07625	22.9
176.04829	6.7
177.01970	7.5
179.03502	16.4
185.06075	1.3
186.06808	1.8
187.04015	2.2
187.07642	9.1
188.04759	3.6
189.05562	1.9
189.09222	3.8
190.02663	2.3
190.06367	1.1
191.03363	1.3
199.07686	1.7
200.04750	5.8
200.08446	0.9
201.05482	2.9
201.09195	11.6
202.06364	2.0
202.09613	0.9
203.07115	11.8
204.04305	1.9
204.07635	1.2
205.08707	5.4
211.04051	1.5
211.07724	1.4
212.04753	0.9
213.05656	1.0
213.09142	2.8
214.04106	0.9
214.06268	1.5
215.07193	2.2
217.08640	13.8
218.05972	1.2
219.10219	2.1
220.16547	1.0
224.08479	1.2
225.05560	2.3
226.06412	1.9
227.07181	1.1
229.08667	22.4
239.07104	1.3
239.10793	1.8
240.07973	1.5
241.08644	4.0
247.09703	16.6
251.07104	1.5
252.07872	1.0
255.10271	2.6
257.11765	2.0
265.08719	1.1
268.07281	1.6
270.09103	1.2
273.11310	1.4
281.11884	4.2
283.09775	3.4
288.06390	3.8
294.08762	1.7
297.11276	4.0
299.12775	5.0
301.10855	1.9
304.07019	1.4
304.57251	1.1
305.11765	1.2
323.12872	15.4
324.13126	2.6
325.10815	1.8
341.10184	1.7
341.13831	3.1
349.10950	1.6
367.11829	35.3
368.12320	4.7
385.12894	36.9
385.17755	2.9
386.13342	3.7
407.66333	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.129
Annotation	Unknow
Peak:m/z	Relative Intensity
55.34210	0.6
57.03439	1.7
61.98804	0.7
69.03452	2.5
70.32208	0.6
81.16040	0.6
83.01389	12.2
93.03442	4.5
93.42541	0.7
95.01359	1.0
97.02931	3.1
98.20634	2.1
108.02168	1.3
109.02930	7.2
112.44581	0.5
121.02947	5.2
122.03744	13.5
124.01646	2.0
125.02443	13.2
126.02754	0.7
135.04527	0.8
137.02437	100.0
138.03296	4.9
139.03995	1.5
145.02966	0.9
145.06641	0.7
149.02411	4.6
150.03218	9.1
151.03912	1.9
154.02724	1.7
159.04526	2.0
161.02429	2.4
164.01149	7.9
165.01918	67.4
166.02333	4.2
167.03484	1.6
172.05191	0.7
173.06116	1.7
175.03964	1.0
177.01970	0.7
179.03490	6.1
183.04477	1.2
197.05986	0.6
201.05632	3.4
201.09164	1.0
203.03540	1.2
219.06567	0.8
225.05513	0.7
226.06415	0.7
229.81134	0.6
241.04922	1.0
243.06541	0.9
245.04587	0.7
259.06104	1.9
269.04572	3.7
270.05066	1.5
279.54926	0.7
287.05615	6.1
288.06372	26.0
289.06750	2.0
339.79294	0.7
349.60971	0.8
367.11868	2.0
385.12906	23.6
386.13318	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1137
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03428	2.5
58.19966	0.8
59.01373	13.9
61.50159	0.7
67.01873	3.2
68.99801	2.4
69.03439	2.5
69.52619	1.6
69.52937	6.7
71.01374	13.4
72.99294	2.0
73.02933	1.1
75.00870	6.1
83.01366	1.2
85.02944	15.6
87.00861	5.4
89.02423	3.0
91.03983	2.3
91.05534	6.7
93.03429	0.9
95.01371	4.3
99.00867	3.2
103.00338	1.1
111.00877	2.4
113.02444	16.4
117.01913	0.9
117.03403	1.3
121.02946	100.0
122.03287	3.5
129.01927	1.1
135.04514	3.2
137.02429	1.2
139.00374	1.7
143.03468	1.0
157.01416	1.5
164.01044	1.1
175.02484	1.2
191.05594	2.5
231.05086	2.0
232.33037	0.9
249.06120	11.4
263.07666	28.7
264.08029	1.7
267.07187	35.5
268.07574	1.7
385.11371	36.8
386.11560	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	385.1289
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	1.3
61.98821	2.5
69.03447	0.8
71.09285	0.8
71.09597	0.7
77.03954	1.0
81.95337	0.6
83.01399	5.4
93.03445	2.1
97.02946	1.8
107.45891	0.6
108.02169	1.1
109.02952	4.2
121.02960	7.5
121.51098	0.5
122.03730	13.1
123.04173	0.6
124.01642	2.1
125.02465	9.2
135.04529	1.5
136.01611	1.6
137.02435	54.8
138.03125	2.2
147.04457	0.6
149.02437	7.1
150.03214	100.0
151.03531	3.8
153.01936	0.8
154.02710	1.7
159.04494	2.2
161.02429	2.4
164.01146	5.3
165.01918	44.7
166.02501	2.7
167.03400	0.7
172.05312	1.8
173.06035	2.0
175.03975	4.5
177.01984	1.5
177.05595	1.9
179.03496	4.4
183.04494	0.8
189.05495	0.6
197.05972	1.1
199.03978	0.7
200.04875	0.9
201.05539	6.2
203.03459	2.8
215.07140	2.2
217.05013	2.3
219.06631	2.4
220.74847	0.6
225.05515	1.2
241.05093	1.2
243.06656	2.7
244.07047	0.8
245.04584	1.4
258.05441	0.7
259.06088	11.7
260.06442	1.1
269.04559	1.7
287.05591	17.7
288.06256	7.3
289.07111	1.0
296.29062	0.6
374.19012	0.6
385.13058	3.6
385.19022	23.9
386.18909	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1136
Annotation	Unknow
Peak:m/z	Relative Intensity
52.52485	0.6
55.01858	0.9
57.03442	3.2
59.01094	1.2
59.01374	16.7
61.98827	0.6
67.01878	0.8
69.03452	1.0
69.65566	4.1
71.01375	23.4
72.01675	0.7
72.99293	3.5
73.02943	1.5
75.00870	13.5
78.95902	2.8
79.95732	1.7
83.01402	1.0
85.02949	24.9
87.00871	8.0
87.68034	0.6
89.02439	7.6
91.05527	4.8
93.03448	1.5
94.98087	2.5
95.01384	3.9
96.96003	35.7
96.96919	5.7
97.69676	0.7
99.00872	7.9
101.02463	1.5
103.00373	3.2
109.02941	1.5
112.01617	0.7
113.02440	33.0
113.11491	0.6
114.02791	0.7
114.05577	1.5
115.00298	1.1
117.01923	2.1
117.03460	3.9
121.02951	1.6
123.04510	1.4
125.02428	1.2
129.01907	1.7
133.02997	0.6
135.04515	5.1
136.05272	1.3
137.02443	1.0
140.53575	0.6
148.05298	0.7
149.02403	3.1
149.04475	0.7
151.07616	0.7
157.01472	1.3
161.02409	1.5
162.06740	0.8
163.07608	2.6
164.04733	2.2
165.01891	0.8
173.04495	1.4
175.02429	2.7
177.01801	0.7
179.03436	1.2
179.07135	0.9
180.07933	2.2
181.08694	4.4
187.04095	0.6
191.05589	9.0
193.01433	1.0
199.03839	0.6
205.07141	1.1
207.05008	0.8
208.03737	2.5
211.02339	0.8
215.30507	0.6
223.06056	6.5
223.08060	1.4
231.05183	0.7
240.07478	4.1
240.57739	1.0
247.06465	2.7
247.56558	1.0
249.06131	9.3
258.01749	1.1
259.02438	2.4
267.07184	100.0
268.07516	6.2
271.02536	3.9
272.03180	1.2
299.01849	0.7
300.02740	1.2
301.03772	0.8
367.04504	1.4
373.54056	0.7
383.19009	1.3
385.05350	4.2
385.11313	24.2
386.11163	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.0778
Annotation	Unknow
Peak:m/z	Relative Intensity
50.72117	1.1
57.03426	2.0
59.01375	4.4
60.99340	1.1
63.34160	1.0
67.01880	2.9
71.01389	2.8
71.17835	1.4
71.18178	2.3
72.99299	5.0
73.02968	1.3
81.03422	1.3
83.05026	1.2
85.02941	15.8
87.00879	6.8
89.02450	1.4
93.03453	23.1
94.03797	1.2
95.01390	1.8
95.05025	2.3
96.95989	1.2
105.03418	1.6
108.38691	1.0
109.02942	9.8
111.04492	4.0
121.02943	11.1
123.00860	2.3
123.04533	5.1
125.02412	3.0
127.04012	2.4
129.01929	1.8
135.04503	4.6
136.01654	3.2
137.02432	13.6
139.04010	14.0
149.02429	28.3
150.02849	1.5
151.03995	3.1
155.03528	1.2
158.06059	1.0
160.28835	1.1
161.02373	1.2
165.01920	5.5
167.03473	11.4
173.04523	20.5
175.04237	1.3
177.01952	6.3
179.03528	1.9
189.01897	13.4
190.02589	3.7
191.02052	2.1
191.05591	100.0
192.05984	5.3
192.99744	2.4
193.01399	23.6
194.01759	1.5
195.02914	1.3
203.03503	2.2
209.03029	1.2
211.02548	5.2
216.00589	1.7
217.01335	6.7
219.02974	3.4
231.03053	1.9
243.42055	1.2
247.04550	4.7
341.06525	13.2
367.06531	3.1
385.07629	17.1
385.11884	1.6
386.08109	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.0562
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	0.9
57.03435	1.3
58.00593	1.7
59.01375	39.5
61.98808	1.0
71.01376	27.5
72.99312	3.0
73.02960	1.6
81.03481	0.8
83.01398	1.3
84.65823	0.6
85.02953	6.7
87.00870	1.2
89.02439	34.1
89.03967	1.3
93.03452	2.2
95.01371	3.0
95.05006	2.6
96.95996	1.8
97.02954	1.1
99.00867	1.1
101.02441	15.3
103.05534	0.7
105.03463	0.9
107.04962	0.7
108.02163	1.3
109.02948	27.1
110.03262	1.0
113.02438	11.3
117.03486	1.2
119.03509	10.4
119.04945	1.6
121.02917	2.5
122.03736	1.4
123.04519	20.6
123.08174	1.1
124.04837	0.9
125.02443	1.5
131.03505	1.8
131.05017	0.7
133.02948	6.3
134.03726	1.7
135.04485	2.6
137.02435	3.3
143.03488	2.9
145.02921	2.5
146.03705	0.7
147.04475	3.8
148.01665	0.9
149.02443	6.5
149.04553	0.7
150.03192	2.3
151.03989	11.5
152.04407	0.7
153.09215	4.8
159.04512	2.6
161.02411	4.6
161.04530	2.8
162.03276	3.4
163.03964	2.2
164.04778	3.3
165.01907	1.1
166.02625	1.1
173.02374	1.5
173.04547	1.5
175.00354	1.8
175.03893	1.1
176.01126	1.4
176.04729	1.8
177.01923	40.5
178.02226	2.9
179.05585	5.4
179.07172	2.0
180.90404	0.6
181.05057	1.5
185.06017	0.8
187.04002	6.1
187.11459	0.9
188.04785	3.7
189.01924	45.7
189.05521	2.1
189.09074	0.8
190.02679	20.2
191.03401	5.9
191.05600	9.4
192.06020	0.9
203.03500	1.1
204.04272	0.9
205.05058	4.1
205.12364	5.0
206.05768	2.1
207.02943	1.1
208.03767	1.1
213.01807	0.7
213.05492	1.1
216.00613	10.8
217.01384	16.9
218.02182	3.3
219.02937	8.6
220.03242	0.9
221.08133	1.1
222.01660	2.5
223.06076	8.8
227.07118	3.7
229.08607	4.1
231.02945	4.7
232.03636	2.1
233.00806	1.2
237.05540	1.3
239.07047	0.7
251.07320	0.9
253.04965	1.4
254.05611	0.8
255.06592	0.8
264.04160	1.4
265.04697	1.1
265.07129	5.9
269.08264	0.8
279.06595	1.5
281.04526	17.2
282.04913	3.6
295.08258	3.4
297.07678	14.2
298.07861	1.7
323.05554	1.5
325.09235	4.7
341.06613	100.0
342.06937	11.0
366.20160	0.7
385.05527	11.3
385.12372	1.3
385.18674	2.0
386.05908	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.2073
Annotation	Perseanol
Peak:m/z	Relative Intensity
57.03444	2.1
58.00587	0.7
59.01380	8.5
60.89332	0.4
61.98829	0.4
62.89644	0.4
67.01886	0.9
69.03471	2.1
69.32641	4.3
71.01382	2.6
72.99281	0.7
73.02946	14.6
79.95733	0.6
81.03432	0.8
83.05025	2.9
85.02960	2.3
87.00863	1.5
89.02429	0.8
93.03464	4.8
95.05016	0.7
96.96005	2.2
97.02955	0.5
99.04502	0.5
101.02390	0.8
107.05008	0.5
109.02937	1.2
109.06597	2.2
111.04492	1.2
113.02425	1.2
119.04996	0.7
121.02998	0.7
121.06605	1.0
122.06097	1.2
123.08165	0.5
125.02473	0.7
129.01892	0.7
129.05566	1.1
133.02946	1.2
133.06577	1.3
134.03712	1.1
135.04520	13.7
136.04848	0.8
137.02457	2.6
139.07513	0.6
149.09702	1.0
150.03156	2.2
151.07634	0.8
159.06445	0.5
161.02438	0.7
161.04510	0.6
163.04022	0.5
163.11266	0.9
164.07153	1.0
165.00128	0.7
165.01884	0.5
165.05505	0.5
173.04539	4.2
175.11269	0.9
177.05516	0.5
179.03505	2.9
179.10881	0.4
191.05602	5.1
201.12769	0.7
203.03418	0.5
203.14461	0.7
208.99089	0.8
209.04526	2.1
215.14395	1.1
216.98131	0.7
217.12265	2.0
221.04488	1.3
224.09315	0.7
227.14481	0.6
229.01270	0.4
229.12393	3.0
233.15514	1.1
245.15471	4.1
247.17087	0.6
256.57947	0.5
257.15512	2.1
261.18460	1.0
269.15543	0.5
272.76309	0.5
273.18542	1.1
275.16507	1.3
283.17413	0.6
285.18570	2.5
291.19678	0.5
293.17557	8.4
294.18042	0.7
296.11337	5.1
303.08652	1.0
303.19565	2.0
305.17633	3.3
309.17407	0.5
321.17194	0.9
321.20724	2.4
323.18277	0.5
335.18329	0.7
337.16565	1.3
347.18567	1.1
353.19653	6.0
354.19699	0.9
365.19653	100.0
366.20010	13.1
383.04373	2.8
383.09885	3.2
383.20676	17.6
384.21188	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.0562
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	4.8
71.01375	2.3
71.60996	1.2
73.02903	0.8
75.82939	0.8
81.03443	1.1
84.70618	0.6
85.02940	3.1
87.00860	1.7
89.02445	1.6
89.03956	1.8
89.61102	0.7
91.01922	1.1
91.82510	0.8
93.02955	0.8
93.03436	4.7
95.05020	3.6
95.05570	0.9
96.96012	1.5
101.02434	1.7
103.05516	1.1
105.03442	1.2
107.16775	0.8
108.02149	1.0
109.02937	24.9
110.03239	0.9
111.04510	1.4
113.02457	0.7
116.17362	0.6
117.03452	3.0
119.05025	2.7
121.02933	3.6
122.03789	1.3
123.04520	24.2
124.04839	1.0
125.02470	0.9
133.02960	5.0
133.06625	4.3
133.83754	0.7
134.03662	1.2
135.00879	1.1
135.04501	3.0
137.02412	1.9
138.89796	0.7
139.03978	1.4
145.02925	2.9
147.04535	7.7
149.02412	5.8
150.03163	2.9
151.03995	10.5
152.04341	0.7
159.04482	4.0
161.02428	7.6
162.03157	2.5
163.03986	1.3
167.03468	2.0
173.04529	10.8
175.04018	0.8
176.01102	2.5
177.01910	30.4
178.02361	1.4
179.03546	1.7
181.07167	5.4
187.04045	1.3
189.01910	94.0
190.02621	20.9
191.03465	17.3
191.05585	19.1
192.05946	0.9
193.01385	2.5
203.03482	7.6
205.55882	0.8
211.02458	1.4
216.00621	12.7
217.01385	44.0
218.01877	4.3
219.02957	18.3
220.03278	1.6
223.06062	2.0
231.02948	15.1
232.03525	1.9
233.04381	1.7
234.04877	0.8
291.19287	0.8
314.57501	0.7
323.05707	2.2
341.06613	100.0
342.06906	9.5
352.07660	0.9
385.05676	7.1
385.11154	1.7
386.05862	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.1895
Annotation	Unknow
Peak:m/z	Relative Intensity
62.28570	0.1
67.82054	0.1
71.38757	0.2
71.73638	0.2
79.95733	5.2
95.95214	1.5
96.95985	0.4
109.18403	0.1
161.73376	0.2
192.46974	0.1
219.06938	0.3
244.22491	0.1
287.55157	0.2
296.36398	0.2
325.14761	1.5
336.95517	0.2
339.16409	0.3
383.18927	100.0
384.19263	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	383.1894
Annotation	Bortezomib
Peak:m/z	Relative Intensity
50.18964	0.1
54.16133	0.1
65.54041	0.1
67.86254	0.1
79.95270	0.2
79.95740	3.7
80.39375	0.1
95.75013	0.1
95.94756	0.1
95.95215	0.7
98.19849	0.3
141.95781	0.2
229.20256	0.2
301.50626	0.1
325.14807	0.3
365.17828	0.6
383.18927	100.0
384.19257	12.9
384.24399	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.1895
Annotation	Bortezomib
Peak:m/z	Relative Intensity
50.17069	0.1
51.93904	0.2
70.53167	0.2
71.16717	0.1
71.82257	0.1
79.95735	2.3
95.95228	7.8
96.95965	0.1
137.79013	0.2
144.35753	0.2
151.00682	0.5
202.07646	0.2
208.08614	0.2
240.57545	0.2
274.74646	0.2
323.13223	0.5
365.17880	0.7
383.18924	100.0
384.19250	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	383.1895
Annotation	Unknow
Peak:m/z	Relative Intensity
51.22086	0.1
70.61662	0.2
70.61998	0.3
79.95731	3.3
84.39233	0.2
95.95237	0.9
96.95991	0.2
158.18117	0.2
272.51642	0.2
296.96817	0.2
311.78354	0.2
325.14890	0.2
365.17975	0.6
383.18912	100.0
384.19232	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	383.1742
Annotation	Unknow
Peak:m/z	Relative Intensity
53.61814	0.3
57.03427	0.7
69.88974	1.8
71.05001	0.4
79.95738	1.6
83.28445	0.3
88.41866	0.3
96.96005	100.0
100.50800	0.3
113.09734	1.3
143.10748	2.4
214.46373	0.3
237.18495	0.4
239.20073	0.4
257.21219	0.7
285.20709	3.8
301.20328	0.4
303.21725	10.9
304.22183	1.7
383.17404	69.2
384.17780	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	383.1742
Annotation	Unknow
Peak:m/z	Relative Intensity
51.32449	0.5
52.27273	0.6
59.01377	14.5
69.28196	0.4
69.28559	4.9
79.14134	0.5
79.95739	1.6
87.03595	0.5
91.60532	0.5
93.36186	0.5
96.96008	100.0
109.01534	0.5
114.43580	0.5
136.08894	0.6
237.07561	0.6
243.19600	2.3
252.50134	0.5
257.21619	0.5
303.21753	5.1
314.08130	0.5
321.17358	7.3
322.17569	1.1
323.15225	4.9
383.17410	82.9
384.17767	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	383.1743
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03460	0.4
59.01379	1.1
71.01374	0.4
71.05010	0.8
73.02956	0.9
79.95742	1.5
81.03513	0.2
83.01431	0.2
83.05071	0.2
85.02948	0.3
93.03448	0.3
96.96005	100.0
97.06569	0.4
97.95934	0.5
99.08138	0.9
101.02422	0.4
102.05597	0.4
111.08195	0.2
113.09684	0.2
125.02449	0.4
127.11230	0.5
128.03516	0.6
129.09195	2.2
133.02956	0.6
135.04498	0.6
137.02425	0.8
139.11288	0.3
143.10771	0.6
147.04259	0.2
155.10751	0.2
157.12317	0.4
161.02440	1.7
165.02115	0.2
173.04646	0.2
179.03456	0.2
191.05664	0.9
201.76952	0.2
215.52077	0.2
217.08760	0.2
237.18633	0.6
239.20291	0.4
257.21219	0.6
285.17703	0.3
285.20685	4.4
286.20972	0.5
301.20230	0.4
303.21741	12.6
304.22046	1.2
346.65704	0.2
365.16367	0.2
383.17413	67.0
384.17419	6.9
400.99973	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.1554
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	3.7
57.03441	2.8
58.00575	1.3
59.01376	29.0
60.01704	0.5
61.98806	0.9
69.03444	2.1
69.17348	0.5
69.94183	1.3
69.94599	1.0
71.01376	54.6
72.01714	0.8
72.99318	2.7
73.02939	23.0
75.00862	2.5
81.03458	0.9
83.01382	9.8
85.02946	22.0
87.00871	3.5
89.02437	22.2
93.03443	1.5
95.01383	4.3
96.95963	0.9
97.02943	3.2
98.20663	0.5
99.00877	12.5
101.02436	49.0
102.02764	1.3
103.03986	0.7
107.05051	0.5
109.02917	1.2
111.00888	1.2
113.02439	20.0
114.02786	0.6
115.04010	2.4
117.23027	0.5
119.03476	2.1
119.05011	0.8
125.02420	5.6
129.01938	1.0
131.03511	2.5
133.02925	0.6
135.04507	2.9
137.02440	1.4
143.03485	3.3
149.04555	5.2
159.02980	4.7
161.04544	24.8
162.04848	0.9
165.01886	1.0
168.89145	0.5
173.04482	0.9
179.03497	0.6
179.05577	0.7
189.03726	0.5
190.99889	0.8
191.05576	10.5
192.00586	0.7
205.03479	0.7
209.00883	0.5
233.06639	4.0
251.11333	64.9
252.11694	4.4
280.48584	0.5
293.08698	1.9
300.94263	0.6
324.39328	0.5
383.15524	100.0
384.15872	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	383.0828
Annotation	Unknow
Peak:m/z	Relative Intensity
55.27219	0.3
59.01365	1.5
66.92570	0.3
67.01888	0.6
69.10226	0.3
70.17715	0.3
71.01373	1.2
73.02940	0.4
85.02943	8.0
87.00882	1.8
93.03437	2.4
109.02926	0.9
111.04514	0.9
127.03979	1.7
133.02953	0.8
135.04494	0.6
155.70840	0.3
171.03001	0.4
173.04520	1.5
178.45277	0.4
184.35194	0.3
191.05594	100.0
192.05934	4.6
241.22459	0.3
241.69112	0.4
278.60037	0.4
303.64453	0.3
383.17062	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.0981
Annotation	Unknow
Peak:m/z	Relative Intensity
55.84340	0.5
59.01377	100.0
60.01717	1.1
71.07388	1.3
77.61605	0.6
79.95710	0.6
90.40678	0.5
93.03457	6.5
96.96026	1.6
101.02518	0.5
121.02982	1.1
123.04504	0.5
125.02439	6.3
136.12526	0.5
137.02434	11.1
149.02432	2.4
151.04001	0.9
153.02068	0.5
175.03995	1.2
177.01973	1.1
178.86407	0.5
178.99828	0.8
191.05585	0.7
194.16113	0.5
217.05026	0.5
219.71910	0.5
230.99728	0.5
241.05244	0.5
281.06647	3.9
285.04114	3.6
285.07736	3.7
303.05148	2.3
303.08478	1.0
365.03394	3.9
383.00528	3.9
383.17514	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	382.2961
Annotation	Unknow
Peak:m/z	Relative Intensity
51.96447	1.0
52.94176	0.9
55.42114	0.9
59.01375	100.0
64.96408	0.8
69.81610	4.8
82.73733	1.1
87.51777	0.8
135.76224	1.0
137.60449	1.0
322.27670	1.6
367.76828	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.0439
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	0.6
59.01363	2.0
65.03952	0.5
69.03436	1.1
69.39743	0.5
69.67833	0.5
69.84682	1.7
69.85113	1.5
71.01368	1.2
75.00887	0.8
79.95729	5.1
80.96505	3.0
81.03444	1.2
83.01379	6.1
86.52086	0.5
87.00871	0.8
93.03448	2.3
95.05022	1.8
96.95998	1.7
97.02950	7.9
98.20532	0.9
99.04499	1.3
101.02430	0.7
107.05035	0.6
108.02164	0.9
109.02958	4.6
113.02451	0.9
118.02782	0.5
121.02930	1.5
122.03732	2.0
123.04491	2.4
124.01607	0.9
125.02454	3.7
133.02946	0.7
134.03737	1.7
135.04535	1.1
137.02438	59.5
138.03165	2.7
139.04005	4.0
142.68669	0.5
145.02939	1.7
148.01659	0.7
149.02440	3.6
150.03207	2.5
151.03998	1.9
153.01817	0.7
159.04527	1.1
160.05330	0.7
161.02425	2.9
163.04010	2.0
164.01135	0.7
165.01910	4.0
165.05550	1.7
166.02692	2.2
167.03470	1.5
172.05199	0.6
175.04015	0.7
177.01878	0.7
179.03569	1.2
183.04510	1.2
184.05228	0.7
186.03242	0.7
189.01877	1.4
191.05629	3.6
191.07069	0.7
193.05029	1.5
199.07584	0.6
201.05498	1.7
202.06291	1.5
204.04234	2.2
208.43684	0.5
215.07039	0.7
216.98087	8.6
217.08682	2.2
219.06616	3.2
220.07370	3.5
225.05563	1.8
226.06374	3.0
227.03629	0.7
227.06657	0.6
231.02849	0.7
235.09715	2.5
241.05014	1.7
241.08546	1.0
242.05901	1.1
244.07365	4.6
245.08043	0.7
253.04924	0.9
255.03023	0.6
259.09674	3.0
261.07602	1.2
269.04462	2.3
270.05304	6.5
285.07623	10.1
286.08032	1.1
303.08707	31.4
304.09033	3.5
335.18466	0.9
383.04385	100.0
383.21017	2.7
384.04691	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	381.2644
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01366	1.8
61.98825	0.7
70.66895	0.8
71.05012	0.8
75.15619	0.4
78.95918	3.0
96.95984	0.5
96.96938	0.4
138.06850	0.6
139.07629	0.4
142.95345	0.4
149.06042	0.5
150.41029	0.4
151.11244	0.7
152.99561	4.9
153.12810	3.5
163.11276	1.7
165.09227	0.5
165.12845	4.7
170.05835	3.3
173.05194	0.3
173.33942	0.4
174.87563	0.4
179.10765	10.3
180.11104	0.8
181.12328	35.5
182.12648	2.5
192.11595	0.6
195.10280	2.4
197.11798	2.9
199.13379	100.0
200.13731	6.3
210.15491	0.4
215.12921	2.1
217.00258	0.9
345.24295	0.4
351.19415	0.4
363.25391	6.0
364.25748	0.9
381.11255	0.7
381.21225	0.7
381.26541	5.2
382.26660	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.2643
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	2.8
61.98869	1.1
64.50928	0.4
70.89487	1.0
78.31011	0.6
78.95898	6.7
96.83047	0.4
96.96082	0.5
100.13961	0.4
109.06628	0.6
111.05334	0.6
137.06110	0.7
149.06087	0.9
151.07658	0.9
152.99585	8.3
153.00778	0.6
164.08444	0.6
170.05844	3.9
181.12370	1.0
192.11687	0.5
199.13402	2.0
217.00276	2.4
224.23018	0.5
230.23473	0.5
233.19089	2.0
235.20621	1.2
251.20122	3.3
252.20557	0.6
259.17105	0.7
277.18066	75.3
278.18402	7.9
279.19623	23.7
279.22787	0.9
280.20026	2.6
295.19110	100.0
296.19492	9.3
363.25366	16.8
364.25604	2.3
381.20612	1.6
381.26355	5.9
382.26447	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.1765
Annotation	Unknow
Peak:m/z	Relative Intensity
52.87418	0.5
53.99239	0.5
55.01875	3.6
57.03443	3.3
59.01375	33.7
69.03465	1.2
71.01379	39.5
71.62052	1.0
72.01736	0.6
72.99338	2.6
73.02940	21.5
75.00883	1.2
78.90186	0.5
79.33063	0.6
80.38278	0.5
81.03485	0.8
83.01373	8.3
85.02948	22.3
85.06593	0.6
86.00106	1.1
87.00857	2.9
89.02435	6.4
93.03487	0.8
95.01424	2.1
96.96024	1.5
97.02978	1.6
99.00870	9.5
99.04536	0.7
101.02437	42.8
102.02811	1.4
109.02946	0.5
110.08519	0.6
111.00895	1.2
113.02443	14.3
114.02757	0.7
114.57759	0.6
115.04012	1.4
119.03568	0.8
119.19257	0.5
125.02476	2.7
129.01974	1.3
131.03545	1.8
143.03528	1.7
149.04536	0.8
157.08702	0.6
159.03008	3.5
161.04543	13.1
162.04930	0.7
162.08322	0.5
178.44238	0.6
191.05627	2.1
221.25256	0.6
233.06595	1.6
249.13408	78.2
250.13721	6.2
261.15036	3.4
269.25766	0.6
277.18045	1.0
280.34290	0.6
291.19608	0.7
293.08887	0.9
319.19135	3.2
337.20172	39.7
338.20502	5.6
381.18143	100.0
382.18686	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	381.174
Annotation	Unknow
Peak:m/z	Relative Intensity
58.83584	0.4
59.01375	2.2
69.64876	2.9
78.95921	0.5
79.95731	6.1
80.02669	0.8
82.98875	0.4
88.99113	0.5
95.95231	1.8
96.95997	1.6
97.06598	1.1
99.08169	0.5
110.97534	0.9
113.56370	0.5
125.09718	7.4
125.20213	0.5
137.09703	3.7
137.37260	0.5
153.09253	0.5
155.10768	0.5
171.10278	1.9
209.11948	0.6
215.12785	0.8
217.00307	1.8
289.18069	1.1
307.19153	5.8
321.16037	0.5
326.20956	0.7
343.24988	3.0
345.25369	0.5
381.17361	100.0
382.17688	12.5
382.22495	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.1585
Annotation	Unknow
Peak:m/z	Relative Intensity
53.84477	0.6
55.27396	0.5
55.32970	0.6
57.03449	0.6
59.01375	2.9
61.98833	1.1
63.55595	0.6
64.03123	0.6
65.79263	0.5
71.62062	0.7
71.62430	0.6
79.95736	2.7
85.02930	0.6
86.26485	0.6
89.82500	0.7
95.95202	0.5
96.96006	100.0
124.32591	0.7
135.04463	0.7
135.40955	0.8
140.01186	0.6
166.22166	0.6
221.19067	6.4
222.19521	0.7
239.20021	0.6
265.08743	0.6
265.18164	3.8
275.10873	0.8
283.19110	6.7
301.06885	0.9
301.20184	17.6
302.20459	1.8
321.20493	0.8
339.12674	1.1
343.20950	0.7
381.15829	67.6
382.16138	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	381.1585
Annotation	Unknow
Peak:m/z	Relative Intensity
53.84477	0.6
55.27396	0.5
55.32970	0.6
57.03449	0.6
59.01375	2.9
61.98833	1.1
63.55595	0.6
64.03123	0.6
65.79263	0.5
71.62062	0.7
71.62430	0.6
79.95736	2.7
85.02930	0.6
86.26485	0.6
89.82500	0.7
95.95202	0.5
96.96006	100.0
124.32591	0.7
135.04463	0.7
135.40955	0.8
140.01186	0.6
166.22166	0.6
221.19067	6.4
222.19521	0.7
239.20021	0.6
265.08743	0.6
265.18164	3.8
275.10873	0.8
283.19110	6.7
301.06885	0.9
301.20184	17.6
302.20459	1.8
321.20493	0.8
339.12674	1.1
343.20950	0.7
381.15829	67.6
382.16138	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	379.2334
Annotation	Unknow
Peak:m/z	Relative Intensity
54.04697	0.5
59.01376	100.0
60.01717	1.3
61.98845	0.6
69.45435	4.2
71.01379	0.8
96.96045	0.8
98.19939	1.4
101.02458	1.0
106.90399	0.6
118.03161	0.6
125.09723	0.9
171.10315	1.5
225.14999	1.1
228.47253	0.6
243.16156	0.6
253.38722	0.6
265.06995	0.5
319.21323	1.8
325.20251	0.7
343.24796	12.3
344.25235	1.2
354.57086	0.7
379.23975	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.285
Annotation	Persin
Peak:m/z	Relative Intensity
59.01365	1.1
70.18366	1.0
70.18758	0.7
96.95970	0.9
102.15743	0.5
105.30519	0.6
107.56741	0.4
128.90477	0.4
138.30705	0.4
177.11604	0.4
201.59319	0.4
295.08633	1.2
347.25858	10.1
348.26257	1.0
363.15109	2.1
379.28491	100.0
380.28864	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	380.1558
Annotation	cis-zeatin-9-N-glucoside
Peak:m/z	Relative Intensity
50.43876	0.6
55.80960	0.6
59.01377	18.0
60.56209	0.7
71.01380	29.9
71.05028	5.2
72.01724	1.1
72.99305	9.6
73.02936	2.6
73.99606	0.8
75.00864	1.4
78.95919	0.9
83.01367	1.1
85.02930	3.8
87.00896	0.8
88.04052	4.0
89.02439	8.1
95.01390	0.8
96.96013	1.5
99.00875	1.4
99.04498	2.3
101.02441	8.3
109.02963	0.8
110.03330	0.8
113.02430	4.7
113.08499	0.6
116.07175	1.3
119.03481	1.7
123.93623	0.6
126.09291	0.7
128.07167	2.1
128.97820	0.6
129.05623	0.9
130.05853	0.6
146.08223	55.9
147.08557	1.3
161.04604	1.1
163.04021	1.0
168.82704	0.6
191.05623	2.0
192.56093	0.6
200.09294	1.2
255.66364	0.8
267.07135	0.8
308.13455	4.1
337.16522	3.4
362.14536	2.1
380.15607	100.0
381.15790	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	381.0283
Annotation	Unknow
Peak:m/z	Relative Intensity
50.70494	0.4
59.01376	2.2
60.33487	0.5
61.82298	0.4
61.98816	1.0
69.27409	0.4
70.87874	0.4
71.01354	1.8
74.14318	0.4
74.57941	0.4
79.95719	0.6
85.02909	0.5
96.95450	0.6
96.96013	8.6
107.01352	0.6
121.02905	1.5
133.02936	1.1
135.04465	1.0
151.00368	2.1
156.91539	0.4
161.02379	1.6
172.05264	1.0
173.04478	0.9
178.99805	0.8
179.03406	0.6
185.05891	0.5
191.05527	0.6
196.05260	2.0
197.06010	1.0
199.03951	1.1
211.04005	2.0
212.04756	5.1
213.05244	1.1
223.03891	0.5
224.04681	4.2
225.05415	1.7
239.03429	4.2
239.06999	0.6
240.04257	42.4
241.04996	31.7
242.05721	8.6
243.06126	0.5
252.04265	6.8
253.04982	1.4
257.08173	20.0
258.08429	1.4
267.02924	1.1
268.03726	22.2
269.04037	1.4
283.06088	77.8
284.06418	7.8
301.07123	100.0
302.03989	0.7
302.07413	9.8
343.21130	1.4
381.02826	55.6
381.15506	2.8
382.03122	6.0
382.19910	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.2251
Annotation	Unknow
Peak:m/z	Relative Intensity
56.01572	5.3
58.67184	3.8
59.01389	33.3
61.98809	5.8
63.40195	3.6
64.63368	4.3
67.42208	4.3
69.91433	4.3
71.01374	5.4
76.19598	4.2
87.53489	3.8
93.03457	5.5
96.96004	10.5
107.42867	4.2
123.08153	8.1
125.09731	42.4
127.11303	4.4
141.09213	3.8
156.61603	4.3
168.85793	4.1
171.10211	31.7
193.12361	7.5
199.09746	4.6
201.11292	46.5
213.27681	3.9
225.14867	10.2
243.12357	11.5
307.19034	10.2
311.60629	4.4
325.20258	13.9
330.99060	4.8
343.20920	9.8
343.24835	100.0
344.25192	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	379.2253
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03413	4.6
59.01384	23.4
61.98833	7.5
63.83438	3.9
67.65272	4.5
69.53339	15.2
69.53764	14.3
71.05024	7.0
79.95732	6.5
83.27116	4.3
96.96013	6.1
104.70468	4.2
122.51068	4.1
125.09736	25.6
137.09714	10.7
141.45451	4.3
171.10237	37.5
191.05647	7.5
237.77518	5.0
267.57492	4.6
287.16516	16.2
305.17554	19.2
307.19070	19.7
343.24823	100.0
344.25153	14.8
379.16586	7.6
379.21695	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	379.1888
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	2.8
59.01364	5.8
80.02669	9.1
84.02164	7.4
96.04560	2.6
97.06614	11.9
123.08168	5.7
125.09715	100.0
126.10043	5.5
127.11299	3.5
130.51736	2.4
137.09721	37.9
146.91382	2.6
153.09190	8.5
155.10739	11.7
171.10248	22.1
180.94186	2.7
187.09874	2.6
199.09567	2.5
201.11255	6.7
209.11758	6.2
213.11476	3.3
215.12828	15.7
229.25839	2.8
250.11978	2.7
279.19583	3.4
289.17999	8.8
307.19138	67.9
308.19424	8.1
325.20126	7.3
326.20706	5.3
343.24783	34.4
344.25006	6.6
346.18881	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	379.2253
Annotation	Unknow
Peak:m/z	Relative Intensity
55.52136	3.0
57.03430	3.7
59.01378	22.9
60.86636	2.8
61.98816	7.3
62.39488	2.7
71.01376	2.9
71.62243	4.7
73.02943	3.0
84.39320	3.2
93.00799	3.5
96.96001	13.1
97.06586	5.3
123.08131	12.9
125.09710	64.0
127.11296	5.4
135.08179	3.6
141.09230	3.8
155.10735	4.6
171.10239	28.8
187.09738	5.3
191.05579	5.7
193.12285	5.4
199.09799	5.9
201.11298	71.9
202.11617	5.5
211.13396	2.8
215.12871	6.2
218.26176	3.1
221.78394	3.2
225.11349	9.6
225.14905	10.0
240.70694	3.0
241.98532	3.3
243.12350	16.0
243.15982	4.1
250.28777	3.0
263.20401	3.4
280.84232	3.1
297.20840	3.8
307.19119	13.0
315.66907	3.0
325.20148	24.6
343.21411	4.7
343.24860	100.0
344.25183	13.3
379.21259	4.9
379.25424	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	379.176
Annotation	Unknow
Peak:m/z	Relative Intensity
51.40857	0.3
59.01374	1.2
64.19009	0.3
68.35712	0.3
69.03458	0.5
69.70078	2.2
71.01383	1.0
72.99305	100.0
73.02931	0.6
73.99641	1.1
78.29856	0.3
94.70473	0.3
96.95979	0.5
98.19885	0.7
99.04556	0.5
109.02975	0.4
109.06512	0.3
133.06593	0.5
135.04485	1.7
149.09702	0.4
151.07643	1.8
160.83742	0.5
161.79610	0.3
169.52325	0.3
179.03433	0.4
191.05583	1.0
235.55756	0.4
237.12631	0.3
243.13849	0.6
255.14133	0.5
281.15558	0.6
299.16522	1.0
305.17612	0.5
317.17508	0.5
335.14771	0.4
335.18677	1.5
361.16504	14.9
362.16934	1.5
379.17453	2.4
380.17322	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.1759
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01363	0.6
62.73843	0.3
70.89210	0.7
70.89558	0.7
71.01379	0.7
72.99304	100.0
73.02951	0.5
73.99641	1.1
80.26089	0.4
83.96587	0.3
93.03359	0.4
96.96018	0.9
99.04498	0.4
133.06563	0.5
135.04509	0.4
151.07623	1.5
191.05637	0.4
201.05428	0.4
243.13863	0.4
299.16434	0.5
317.17618	0.8
335.18552	1.2
361.16541	9.8
362.17032	1.0
364.35153	0.5
379.03287	0.5
379.17548	4.1
380.17911	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.1759
Annotation	Unknow
Peak:m/z	Relative Intensity
54.75627	0.5
59.01377	1.6
69.76273	2.4
71.01371	1.2
72.99306	100.0
73.02951	0.5
73.99663	0.7
96.96029	0.7
99.04516	0.6
104.44218	0.4
108.29911	0.4
114.42876	0.5
133.06580	1.0
134.78421	0.5
149.06056	0.4
151.07610	3.5
153.01967	0.6
241.12453	0.5
243.13890	2.0
269.15353	0.6
282.16003	0.5
287.16611	0.5
297.14819	0.9
299.16458	0.8
305.17569	0.9
310.14603	0.6
317.17667	0.6
335.18628	1.0
361.16541	23.9
362.16879	2.8
379.17648	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	379.1606
Annotation	3-Methyl-2-butenyl 6-O-alpha-L-arabinopyranosyl-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
50.93235	0.5
53.63514	0.5
55.01867	0.7
57.03440	2.7
59.01376	18.0
61.98822	0.7
67.01884	1.0
69.03465	0.8
71.01378	17.9
71.62231	0.5
72.99294	4.6
73.02932	1.6
75.00869	16.6
78.95896	1.2
79.95739	0.6
85.02431	1.2
85.02948	21.0
86.03252	0.7
87.00880	8.0
89.02453	5.3
91.04048	0.6
93.03423	1.3
93.11065	0.5
95.01381	5.2
95.71352	0.5
96.96008	3.9
99.00880	10.8
100.84254	0.5
101.02432	1.3
103.00373	3.2
109.02963	1.3
111.00859	0.8
113.02444	29.8
114.02773	0.6
115.00364	1.9
115.07701	0.5
117.01942	3.1
123.04503	0.7
129.01941	2.0
129.09212	79.0
130.09549	3.6
131.03476	0.7
133.02901	0.7
135.04526	1.0
137.39838	0.6
139.00420	0.6
139.79836	0.6
149.04549	0.8
150.03265	0.7
151.03970	0.6
152.99547	1.4
157.01360	0.6
161.02429	1.1
173.04507	1.2
175.02403	3.0
177.01920	0.9
185.08458	0.5
189.01915	2.3
191.05595	5.2
205.07140	2.0
217.01385	0.9
223.08243	1.1
231.02989	0.8
231.05045	0.8
249.06134	7.4
267.07208	9.7
317.17398	1.5
341.06656	4.8
343.10883	0.5
361.15073	1.8
379.16052	100.0
380.16382	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	379.1606
Annotation	3-Methyl-2-butenyl 6-O-alpha-L-arabinopyranosyl-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
55.01875	1.4
58.00583	2.5
59.01376	81.3
59.26449	0.7
60.01704	1.0
69.03465	1.0
70.35555	2.4
71.01379	53.2
72.99303	3.7
73.02942	15.2
82.79059	0.7
83.01390	2.6
85.02946	9.3
87.00883	2.4
89.02441	100.0
90.02762	1.8
95.01381	2.3
97.02933	1.7
99.00876	18.9
101.02444	37.5
106.12944	0.7
113.02441	15.9
115.04012	1.1
119.03485	18.3
125.02430	3.3
127.27959	0.7
127.56018	0.9
131.03502	14.3
143.03481	3.0
149.04549	45.5
150.04854	1.6
161.04553	4.6
179.05591	9.9
191.05582	11.8
192.06084	0.9
221.06618	2.6
247.11823	4.9
251.07681	3.8
293.08749	1.4
379.16037	40.3
380.16379	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	379.1608
Annotation	3-Methyl-2-butenyl 6-O-alpha-L-arabinopyranosyl-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
51.48489	0.4
55.01889	0.5
57.03440	1.7
58.00587	0.8
59.01376	16.0
66.51907	0.4
67.01910	0.7
68.99802	1.2
69.03474	0.6
69.76353	2.2
71.01378	13.7
72.99310	3.8
73.02935	1.8
75.00868	15.1
76.01198	0.4
81.03478	0.6
83.01380	1.1
84.02126	0.4
85.02944	16.2
85.32629	0.4
87.00873	6.8
89.02444	4.3
93.03440	0.9
95.01377	4.7
96.96021	0.7
99.00874	8.9
103.00378	2.1
109.02900	0.4
111.00876	0.8
112.01675	0.4
113.02444	21.6
114.02779	0.5
115.00341	2.2
117.01224	0.4
117.01927	2.8
129.01955	1.4
129.09210	100.0
130.09535	4.5
131.03510	0.4
152.72075	0.4
157.01410	0.9
175.02492	3.2
205.07126	1.2
231.05103	2.1
249.06129	18.0
250.06459	0.9
267.07135	3.6
267.27316	0.4
319.13849	0.8
319.19373	0.4
361.15057	2.6
379.16055	85.9
380.16397	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	378.1895
Annotation	Unknow
Peak:m/z	Relative Intensity
53.68753	0.6
59.01371	1.5
61.98828	100.0
69.25113	2.7
69.25533	1.5
70.62379	0.4
82.39281	0.5
96.96014	4.2
115.65328	0.5
122.76590	0.4
123.34365	0.5
129.43944	0.4
138.23616	0.5
182.76694	0.4
293.21332	0.7
341.09897	1.8
350.89355	0.5
368.08179	0.5
377.67331	1.0
378.18869	6.9
379.21527	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.0667
Annotation	Unknow
Peak:m/z	Relative Intensity
57.14713	0.8
59.01378	5.2
60.99303	14.4
67.20145	0.9
67.50087	0.9
67.75917	0.9
71.01378	1.0
71.61962	1.2
72.99305	42.2
73.02909	1.7
81.67074	1.1
88.98803	100.0
89.02422	2.3
89.99113	1.0
90.92657	1.3
96.95994	1.1
119.04980	1.1
158.36143	1.0
159.24487	1.0
167.11946	1.0
173.04510	2.1
191.05577	2.5
211.89278	1.0
227.14444	3.2
233.06686	2.2
239.06581	3.0
245.08247	1.3
274.56235	1.1
287.16449	1.7
289.07031	3.2
335.18747	1.4
361.16562	10.0
379.17587	10.5
380.17737	1.5
380.77213	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.1605
Annotation	Unknow
Peak:m/z	Relative Intensity
51.03252	0.3
53.27548	0.3
55.01870	1.3
56.78556	0.3
57.03440	1.3
58.00593	3.3
59.01375	81.3
60.01715	1.0
69.03444	0.8
70.27886	1.3
71.01378	61.2
72.01704	1.6
72.99303	13.2
73.02941	15.3
81.03476	0.6
83.01382	3.0
85.02951	9.6
86.03279	0.3
87.00858	3.0
89.02438	100.0
90.02769	1.6
93.03439	0.5
95.01372	2.5
96.96011	0.9
97.02939	1.2
99.00876	22.8
99.04532	0.5
100.01250	0.4
101.02437	41.0
102.02772	0.8
111.00866	0.5
113.02441	16.3
114.02765	0.4
115.03979	1.0
119.03493	15.8
125.02448	4.5
127.03966	0.4
129.01889	0.5
131.03494	15.9
132.03806	0.5
135.04485	0.4
135.08170	0.7
137.02475	0.4
137.09682	0.4
139.00322	0.3
139.03937	0.3
139.22618	0.3
143.03491	3.9
149.04544	49.5
150.04903	1.2
157.08823	0.3
161.04543	5.7
163.07642	1.1
173.04631	0.6
179.05585	8.7
191.05592	12.2
192.05992	0.5
221.06636	2.0
232.03679	0.4
233.06541	1.5
247.11876	7.0
248.12227	0.4
251.07718	4.0
287.10239	0.4
293.08710	0.9
299.16449	0.9
311.09885	0.5
315.16003	0.5
317.17554	0.8
319.13919	0.4
333.17078	1.0
335.13861	0.4
335.18420	1.6
361.16312	1.0
379.16046	38.3
380.16382	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	377.2305
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03344	0.7
59.01290	15.3
59.01626	2.5
61.98754	0.8
68.28167	0.6
94.45448	0.7
95.04939	1.5
96.95919	1.7
98.20623	2.2
125.09647	0.9
133.94856	0.7
171.10258	31.7
172.10585	1.4
191.06741	0.8
193.08426	0.8
195.13866	0.8
198.37032	0.8
209.08144	0.7
229.39755	0.9
246.00679	1.0
249.22142	2.0
259.20609	0.9
277.21689	39.6
278.22003	2.5
295.22754	100.0
296.23062	10.9
299.20038	0.7
315.19427	0.9
317.20932	34.4
317.24680	1.8
318.21411	3.4
335.20837	1.1
361.19833	5.7
377.22931	30.8
377.27170	3.3
378.17810	0.9
378.23193	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	377.2327
Annotation	17-Acetoxygrindelic acid
Peak:m/z	Relative Intensity
50.67696	0.5
57.03407	1.2
58.94252	0.5
59.01336	1.7
61.98833	3.6
64.73430	0.5
69.26431	5.4
71.05008	3.6
75.30351	0.5
77.09657	0.5
77.88695	0.5
79.95713	0.6
82.67841	0.5
83.04985	0.9
85.98009	0.5
160.89241	0.8
195.39084	0.5
207.13834	0.8
214.93764	0.5
216.43661	0.5
220.14632	1.4
221.15446	2.5
236.10504	1.1
261.18549	2.2
269.45438	0.5
293.17499	0.7
315.23364	0.5
331.22717	1.4
333.24301	83.8
334.24619	10.6
377.23288	100.0
378.15353	1.6
378.23611	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	377.0852
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	27.7
69.43268	21.8
69.43678	6.8
71.01372	20.9
72.99306	11.9
87.00846	3.1
89.02441	36.3
101.02428	9.9
113.02440	10.8
116.86026	3.4
119.03500	11.6
128.53249	2.9
129.82448	3.3
135.04523	18.2
135.05435	3.1
157.22331	3.0
179.05663	17.6
191.05598	8.0
194.85431	3.4
215.03273	22.1
219.55881	3.4
227.11972	3.2
341.10895	100.0
342.11047	8.8
377.03735	5.0
377.08542	90.9
378.08847	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	377.1602
Annotation	Gibberellin A99
Peak:m/z	Relative Intensity
53.65111	0.5
59.01374	3.4
61.98821	2.0
67.52228	0.4
69.51644	1.7
69.52068	1.7
69.55284	0.5
71.01372	1.6
72.99303	100.0
73.02950	1.3
73.99635	1.2
84.18947	0.4
85.02978	0.6
89.02441	0.6
91.78077	0.4
96.96008	8.6
97.07237	0.5
98.19880	1.0
99.04460	0.5
101.02433	0.9
105.02625	0.5
121.06538	0.6
123.04647	0.5
126.62452	0.4
133.06546	2.1
134.03731	0.7
135.04521	6.4
136.04942	0.6
145.06549	3.1
151.07635	6.3
156.55031	0.5
171.08133	0.6
173.87990	0.5
179.03496	1.5
179.05740	0.5
191.05646	1.6
215.03323	0.7
224.08481	0.7
231.10388	0.4
235.89223	0.4
239.10739	0.9
240.11218	0.4
241.12340	3.8
242.12590	0.5
261.08786	0.6
267.13904	1.2
268.14236	0.4
297.14804	1.2
300.49200	0.5
303.15918	0.8
305.17651	2.2
315.15811	3.1
316.16318	0.6
332.12659	0.6
333.17004	4.5
341.11133	2.9
344.12637	3.0
359.14954	37.1
360.15335	5.0
377.08737	3.6
377.15997	9.2
378.16321	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.2536
Annotation	Broussonetone C
Peak:m/z	Relative Intensity
55.70168	0.3
59.01097	0.3
59.01372	3.7
61.98824	4.5
71.61289	0.2
76.30222	0.3
82.86555	0.2
86.34186	0.2
89.63551	0.3
92.56110	0.3
96.95989	0.3
104.28490	0.3
135.04480	0.4
164.60892	0.3
174.99246	0.9
176.33868	0.3
182.09134	0.3
217.00256	3.4
232.70296	0.3
313.25253	0.3
375.25351	100.0
376.25659	13.8
376.30566	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.0852
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	27.7
69.43268	21.8
69.43678	6.8
71.01372	20.9
72.99306	11.9
87.00846	3.1
89.02441	36.3
101.02428	9.9
113.02440	10.8
116.86026	3.4
119.03500	11.6
128.53249	2.9
129.82448	3.3
135.04523	18.2
135.05435	3.1
157.22331	3.0
179.05663	17.6
191.05598	8.0
194.85431	3.4
215.03273	22.1
219.55881	3.4
227.11972	3.2
341.10895	100.0
342.11047	8.8
377.03735	5.0
377.08542	90.9
378.08847	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	375.2148
Annotation	Unknow
Peak:m/z	Relative Intensity
54.52132	0.8
57.03440	1.4
59.01097	1.0
59.01377	17.3
61.98826	1.2
83.59866	0.7
87.52411	0.7
97.06547	1.0
108.35986	0.9
125.09721	4.6
128.02492	0.7
141.12834	1.0
149.09698	1.0
185.11806	11.9
187.09425	0.9
197.11786	2.0
217.00208	2.0
247.20596	1.4
275.77783	0.9
293.21204	100.0
294.21573	12.9
315.19382	37.7
316.19824	4.3
375.21475	5.9
379.39221	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.2022
Annotation	Unknow
Peak:m/z	Relative Intensity
53.36384	0.3
59.01377	100.0
60.01714	1.2
61.18764	0.4
61.98809	0.5
64.03706	0.4
65.49033	0.4
71.01373	3.2
71.05006	0.4
73.02952	0.6
75.55006	0.3
76.83376	0.4
79.95757	0.5
85.02960	1.4
89.02440	0.7
89.22563	0.3
96.96033	0.4
101.02433	2.1
101.18624	0.3
111.04578	0.4
113.02452	1.3
119.03560	0.5
125.09737	0.6
161.04517	2.8
167.07214	0.6
173.04404	0.5
215.12944	0.9
303.16113	0.8
315.18204	0.9
321.17102	0.7
331.68060	0.4
333.19095	0.8
375.19553	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.2099
Annotation	Unknow
Peak:m/z	Relative Intensity
62.20547	16.1
82.13997	16.6
91.06638	16.3
93.26596	16.2
110.40369	19.3
163.11288	100.0
176.76784	16.7
339.23239	89.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.2147
Annotation	Unknow
Peak:m/z	Relative Intensity
52.88034	1.0
53.19381	0.9
54.83377	0.9
59.01098	1.5
59.01376	24.0
70.94740	2.4
95.05020	33.5
140.88390	0.9
150.03009	1.1
152.74767	1.0
179.03287	1.0
179.14352	1.2
195.12247	1.2
195.13911	12.3
196.14494	1.4
217.00276	2.3
222.81531	1.0
223.13396	6.8
224.13725	0.9
228.13554	1.7
246.12338	13.4
254.02745	1.4
256.13123	2.1
275.20123	4.4
275.83972	0.9
278.11334	79.4
279.11664	6.6
293.21219	100.0
294.21545	10.3
306.13217	1.0
311.83313	1.0
315.19354	21.8
316.19647	2.3
338.12143	7.2
339.12256	1.3
375.06598	1.6
375.21188	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1846
Annotation	Unknow
Peak:m/z	Relative Intensity
53.79393	0.4
59.01371	0.5
70.46342	1.0
70.46673	1.0
70.97233	0.4
74.99072	3.4
87.62334	0.4
88.70702	0.5
124.48244	0.4
149.00940	0.6
159.08444	12.5
161.06438	2.6
173.68384	0.4
192.98125	0.9
203.02155	0.5
209.01201	2.7
217.07208	1.7
275.06146	0.8
277.07544	2.5
289.07428	2.1
291.09085	97.6
292.09204	13.4
309.10126	1.2
357.13788	2.4
359.15326	100.0
360.15485	17.3
375.13669	0.6
375.18448	9.3
376.18491	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	375.2022
Annotation	Unknow
Peak:m/z	Relative Intensity
56.04404	0.3
57.03451	0.3
59.01377	100.0
60.01708	1.1
70.81016	0.4
70.81378	0.9
71.01385	2.5
73.02966	0.7
85.02964	1.4
89.02434	0.8
92.01308	0.3
96.96017	0.5
101.02446	1.7
104.12301	0.3
113.02468	1.1
161.04533	2.7
162.74463	0.3
217.00369	0.5
217.57759	0.3
261.56296	0.4
283.90540	0.3
306.05499	0.3
315.18259	1.2
375.14108	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1846
Annotation	Unknow
Peak:m/z	Relative Intensity
58.72216	0.6
59.01376	0.7
69.28686	5.4
74.99069	1.7
77.84609	0.6
93.00132	0.7
98.20605	1.1
128.87021	0.6
149.00983	0.8
159.08458	11.5
161.06390	2.7
209.01254	2.6
217.07263	0.9
217.15332	0.8
275.05933	1.0
277.07590	2.9
289.07532	2.4
291.09079	99.1
292.09158	13.2
309.10245	0.9
346.71317	0.6
357.13791	1.7
359.15317	100.0
360.15482	17.0
375.18448	9.7
376.18668	1.2
377.15915	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.2179
Annotation	Unknow
Peak:m/z	Relative Intensity
54.94295	2.4
56.36869	2.9
59.01379	17.5
61.98826	100.0
63.94051	2.4
65.90967	2.6
69.41012	19.2
98.19920	5.5
98.83243	2.3
174.99223	5.2
196.60362	2.6
217.00278	11.7
375.25079	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	374.2182
Annotation	Unknow
Peak:m/z	Relative Intensity
57.00154	1.2
58.43941	1.0
59.01377	9.9
61.98827	100.0
69.88277	5.6
96.96003	1.4
98.20605	2.6
137.02510	1.4
148.74915	1.4
161.97325	1.5
174.99207	2.9
217.00272	7.0
281.80383	1.3
375.21481	2.1
375.25516	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	374.2181
Annotation	Unknow
Peak:m/z	Relative Intensity
54.46609	0.8
59.01375	9.5
61.98825	100.0
62.98044	0.9
68.03744	1.0
68.08273	1.0
71.61604	1.4
72.04877	0.9
77.69267	0.9
79.03235	0.9
97.06607	1.6
105.70129	0.9
113.97536	0.9
114.59757	0.9
123.59652	0.9
131.39244	1.0
150.14374	0.8
174.99214	2.1
217.00220	6.1
268.31256	0.9
293.21265	1.3
331.26086	4.7
344.62210	0.9
374.24377	1.3
375.25375	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	374.218
Annotation	Unknow
Peak:m/z	Relative Intensity
53.72591	1.1
54.28289	1.1
56.29485	1.1
59.01371	3.3
59.09906	1.1
61.98825	100.0
62.84028	1.0
64.71151	1.0
70.21910	2.8
70.22318	2.1
96.37287	1.1
121.10242	1.9
171.10248	3.2
208.27420	1.2
217.00317	1.5
264.85760	1.3
275.20090	4.4
293.21091	7.4
315.19363	4.8
355.83887	1.2
375.21094	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	374.2179
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01370	1.4
61.98825	100.0
69.83763	1.3
69.84187	2.2
75.09013	0.5
77.73212	0.5
82.45805	0.5
100.73299	0.6
193.18082	0.7
212.57001	0.6
217.00221	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.218
Annotation	Unknow
Peak:m/z	Relative Intensity
58.74944	0.6
59.01368	4.1
61.66525	0.6
61.98825	92.6
63.99266	1.2
89.74076	0.7
101.38255	0.6
107.05941	0.6
138.15694	0.8
174.99225	0.9
217.00337	3.0
237.04753	0.7
240.76352	0.7
375.25366	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	373.2593
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	13.3
59.01377	33.2
61.98797	2.1
67.05914	0.6
69.03444	1.0
69.81320	0.7
72.98858	0.5
76.91844	0.6
79.95712	1.4
83.01374	0.7
85.06584	9.3
91.16198	0.6
96.95951	1.4
113.96896	0.7
123.04440	0.8
125.09714	1.5
135.04433	0.9
141.12794	0.8
143.10767	8.8
151.00670	0.7
155.14372	1.1
161.02386	1.0
167.14407	4.3
179.03450	1.2
183.12537	0.9
183.13892	7.2
184.54919	0.7
185.37932	0.6
193.15935	0.9
209.19067	3.0
225.84898	0.7
241.14394	0.9
251.20140	2.5
253.21751	2.8
269.21225	1.6
269.24774	2.9
285.24292	4.8
313.23822	17.5
314.24155	2.5
331.24866	100.0
332.25201	11.9
373.16647	2.1
373.25909	49.4
374.26230	5.4
381.73062	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.0727
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	1.0
61.98827	100.0
69.19328	0.3
70.89634	0.6
87.00879	0.5
89.02438	0.3
93.03465	0.5
96.96009	0.4
105.98875	0.3
109.02966	0.3
116.68509	0.3
117.33073	0.3
133.02963	0.9
134.03703	2.0
135.04515	5.7
140.87128	0.3
149.06053	0.5
153.01927	0.9
154.02277	0.7
161.02454	2.5
161.06020	0.5
168.04269	0.5
169.04767	0.5
171.04536	0.3
173.04521	0.4
179.03494	3.5
189.01711	1.4
189.05554	4.5
190.05920	0.3
191.05643	0.8
201.01704	4.2
217.00290	0.4
311.07693	0.8
364.30762	0.4
374.06610	0.5
375.06909	11.1
394.36276	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1865
Annotation	Rosiridoside C
Peak:m/z	Relative Intensity
55.01894	0.7
59.01376	100.0
61.98832	0.8
70.75961	1.5
71.01376	6.7
73.02959	1.8
83.01402	1.1
85.02969	2.3
96.96030	1.1
99.00886	1.0
101.02444	3.4
113.02458	1.8
125.68664	0.6
151.03990	1.5
161.04527	3.3
179.03481	0.8
221.39009	0.7
272.33286	0.6
289.07410	1.3
322.84537	0.7
331.17587	3.0
358.10635	0.7
373.13016	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1993
Annotation	Unknow
Peak:m/z	Relative Intensity
50.88784	1.0
58.00388	1.1
58.80814	1.1
59.01377	12.8
61.98819	4.4
62.88860	1.1
68.90934	1.0
69.60379	4.7
69.60792	2.3
71.51892	1.1
80.85851	1.3
93.03429	2.0
109.86805	1.2
113.32089	1.3
134.32019	1.2
148.08859	1.4
150.10385	1.4
155.85663	1.0
163.11386	1.2
165.12831	24.2
244.10756	3.8
247.20612	10.5
251.68457	1.1
263.24191	1.1
273.18494	2.7
291.19635	100.0
292.19949	10.6
313.17828	14.1
314.18292	1.9
340.99161	1.2
373.20026	17.0
374.20084	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	373.1865
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	100.0
60.01716	1.0
69.26207	2.5
69.26631	1.1
71.01382	8.2
71.01770	0.5
72.01759	0.4
72.99285	0.4
73.02941	7.2
75.24580	0.3
83.01398	2.5
85.02942	2.1
87.00925	0.4
89.02431	5.2
93.03479	0.5
96.96059	0.6
101.02438	7.8
109.30646	0.4
113.02450	3.9
119.03519	1.1
125.02445	0.4
131.03531	0.7
143.03496	0.9
161.04579	1.1
191.05641	0.5
214.34491	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1865
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	0.4
55.07887	0.3
57.03452	0.5
59.01375	100.0
60.01712	1.3
61.77969	0.3
69.33667	0.8
69.34092	2.5
70.29067	0.3
71.01379	8.4
73.02936	2.3
83.01404	1.4
85.02942	3.6
89.02442	3.6
93.03490	0.5
95.01406	1.0
98.19899	0.7
99.00911	1.0
101.02449	3.8
113.02442	4.0
119.03493	1.2
128.03598	0.4
135.04498	0.4
137.02477	0.4
138.26817	0.3
143.03488	0.4
161.04533	3.3
173.04512	0.7
174.93483	0.3
191.05687	0.5
212.00658	0.3
331.17569	2.5
347.61267	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1865
Annotation	Unknow
Peak:m/z	Relative Intensity
51.66083	0.3
55.01861	0.5
57.03448	0.5
59.01376	100.0
60.01709	1.3
65.72713	0.3
70.94360	0.6
71.01379	6.5
73.02945	2.2
74.22383	0.3
80.82874	0.2
83.01396	1.1
85.02949	2.9
86.08219	0.2
87.00909	0.2
89.02471	0.2
95.01391	0.6
96.96032	0.4
97.02944	0.2
99.00886	0.7
101.02434	4.0
104.47049	0.3
109.02992	0.6
113.02438	1.9
125.02449	1.6
134.03734	0.3
136.01666	2.2
137.02463	0.9
138.03276	0.3
143.03534	0.4
151.00421	0.3
151.04002	2.5
153.01999	0.7
159.03023	0.5
159.04607	0.3
161.04543	3.1
167.03513	0.4
178.99879	0.3
179.03578	0.4
191.05727	0.4
232.82626	0.2
236.26118	0.3
293.13101	0.6
301.71765	0.3
331.17566	4.5
332.18082	0.3
346.03940	0.4
358.10739	1.0
373.08698	0.4
373.12857	3.2
374.03415	0.4
374.13449	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1864
Annotation	Unknow
Peak:m/z	Relative Intensity
54.19368	0.4
55.01870	0.8
57.03447	1.2
59.01377	100.0
60.01712	1.4
69.74802	1.6
71.01387	8.7
72.01674	0.4
73.02948	3.8
74.07143	0.4
77.15639	0.4
83.01379	1.0
85.02941	5.3
85.03381	0.5
87.00897	0.5
89.02460	1.7
95.01379	0.7
96.96001	1.0
99.00890	1.3
101.02440	6.6
113.02459	3.8
125.02484	0.5
146.37755	0.4
151.04044	0.8
153.01924	0.7
159.03038	0.9
161.02507	0.5
161.04565	6.5
276.55048	0.5
283.19165	1.0
331.17627	4.6
332.17966	0.6
345.19220	0.5
347.31351	0.4
373.22528	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	373.1346
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	2.1
61.98818	2.8
70.53810	1.7
71.01346	0.9
85.02946	7.9
87.00886	0.9
93.03443	2.6
105.74790	0.6
108.02179	0.9
109.02943	0.9
127.03981	1.8
131.02817	0.6
153.01961	3.5
153.03128	0.7
167.30806	0.6
168.04231	1.5
169.04990	0.9
171.03059	0.7
173.04547	1.3
191.05592	100.0
192.05936	4.5
193.06036	0.8
297.00085	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1347
Annotation	Unknow
Peak:m/z	Relative Intensity
58.70227	0.4
59.01359	1.1
61.98815	0.6
70.26720	1.2
71.19707	0.4
75.24089	0.4
85.02940	7.4
87.00872	1.5
93.03464	2.8
109.02914	0.5
111.04515	0.8
127.04002	1.9
162.54211	0.3
171.02998	0.5
173.04518	0.6
191.05592	100.0
192.05931	4.4
264.33948	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1865
Annotation	Rosiridoside C
Peak:m/z	Relative Intensity
59.01376	100.0
60.01712	1.2
69.63087	3.1
70.45702	0.5
71.01381	5.1
73.02950	1.5
80.12363	0.5
85.02948	2.0
89.02454	3.3
95.01424	0.6
101.02409	2.9
113.02460	2.1
119.03532	0.6
134.79703	0.5
146.49129	0.5
161.04556	1.6
179.56030	0.6
191.05656	0.6
194.29269	0.5
203.66321	0.5
271.69888	0.5
331.17804	1.2
372.46014	0.5
382.29114	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1136
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	100.0
60.01716	1.3
69.35897	3.9
71.01382	3.6
71.37556	0.5
73.02951	1.8
78.65332	0.5
81.95343	0.6
85.02969	1.1
91.01884	3.0
93.03435	3.3
96.95992	0.7
101.02469	2.1
103.00396	0.7
113.02482	1.8
119.01420	1.9
121.02941	3.7
136.01678	0.7
137.02451	3.7
142.06627	3.9
143.06963	6.4
149.00029	0.5
151.03998	55.9
152.04399	3.2
153.01967	1.2
161.04565	4.4
168.04276	0.6
191.05658	0.7
223.02620	1.3
224.02034	2.1
225.02155	3.0
225.05547	0.5
259.57077	0.5
285.11288	0.8
301.10959	0.5
304.18420	0.5
373.09073	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.114
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	100.0
61.98834	2.2
69.03458	1.8
71.01368	4.6
71.61890	1.9
73.02934	2.2
75.78620	1.5
78.95898	9.8
79.95721	2.2
83.01365	1.8
85.02944	2.8
91.01862	2.8
91.46235	1.2
93.03447	6.2
95.01377	1.5
96.95984	3.1
96.96962	1.6
101.02412	3.4
108.02116	1.8
109.02935	9.0
110.00064	4.8
113.02372	3.5
121.02947	4.3
125.02373	3.7
133.02986	2.0
134.47755	1.6
135.04517	2.6
137.02434	5.6
137.99577	9.1
139.00314	5.1
143.06946	1.6
151.03996	54.4
152.01201	2.1
152.03343	2.8
153.01924	86.1
154.02606	4.7
155.03452	2.3
155.10791	11.7
161.02426	2.7
161.04518	5.3
164.63104	1.4
167.03517	6.6
167.27556	1.4
168.04254	42.5
169.05057	15.6
171.00662	1.4
173.04565	5.9
175.03732	1.5
177.01874	2.1
179.03394	2.0
190.02409	1.6
191.03584	1.3
191.05573	7.6
195.89952	1.5
199.09677	8.4
249.55623	1.7
266.09668	1.4
304.10431	1.6
311.10400	2.3
329.10223	1.6
337.66299	1.9
373.09164	3.6
373.15005	5.4
374.17664	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	373.1137
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13251	0.4
54.63770	0.3
57.23400	0.4
59.01378	3.9
61.98834	3.7
69.03641	0.3
69.46770	0.4
69.62090	2.2
71.01391	0.6
72.99337	0.6
73.01080	0.4
78.57990	0.4
82.00598	0.6
85.02952	1.7
94.67303	0.4
98.20670	0.5
110.00089	7.7
111.00890	1.0
113.02499	1.8
124.01636	0.5
125.02441	6.6
137.99586	8.7
138.03189	0.7
139.00369	7.8
139.04097	0.4
140.01125	0.9
143.06956	0.5
151.00432	0.8
151.04062	0.6
152.01158	1.5
153.01929	100.0
154.02696	9.9
155.03455	1.8
161.04521	0.5
165.05490	0.6
166.02690	0.5
167.03494	6.9
168.04266	48.5
169.05046	24.4
169.96346	0.4
170.05431	1.3
177.02049	0.4
179.03398	1.2
181.05054	0.5
191.03445	0.6
191.05663	0.4
194.02208	0.6
209.04517	1.1
221.04366	0.6
281.06647	0.8
299.07767	0.6
313.09195	0.5
331.10303	0.6
373.11273	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	372.2025
Annotation	Unknow
Peak:m/z	Relative Intensity
51.25388	0.9
57.05981	1.0
58.39071	0.9
59.01360	1.1
61.98829	100.0
67.21896	1.0
69.64895	3.4
69.65302	2.6
96.88337	1.0
98.19925	1.7
146.99261	0.9
240.57835	0.9
243.46111	1.0
374.43713	1.0
394.97025	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	372.2022
Annotation	Unknow
Peak:m/z	Relative Intensity
58.38737	1.9
59.01370	8.9
61.98827	100.0
62.87780	2.0
71.61873	3.4
79.15649	1.9
79.94628	1.9
83.01376	5.8
208.00446	3.7
209.01161	5.4
220.01978	1.8
221.91348	2.0
261.33746	2.5
372.15164	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	372.2023
Annotation	Unknow
Peak:m/z	Relative Intensity
56.89802	0.6
61.91449	0.8
61.98825	100.0
63.75098	0.7
66.67390	0.7
69.33995	6.6
79.28217	0.7
107.70831	0.7
116.83105	0.7
157.32646	0.8
178.37389	0.8
325.26563	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	372.2023
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	5.6
61.98827	100.0
62.15866	1.2
69.28438	7.5
69.28865	4.1
83.01367	3.6
98.19894	2.0
154.90695	1.3
226.71361	1.2
372.15222	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	372.2024
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	6.3
61.98825	100.0
71.62247	2.3
83.01390	4.6
91.92948	1.2
109.11787	1.3
110.89034	1.1
125.43586	1.2
129.68706	1.2
148.94472	1.2
151.04013	1.4
225.83206	1.4
313.17786	2.9
315.19595	13.1
330.90952	1.7
372.15265	2.5
373.15445	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	372.2023
Annotation	Unknow
Peak:m/z	Relative Intensity
57.01353	0.5
57.03456	0.6
59.01371	2.5
61.98824	100.0
71.62229	0.6
74.40991	0.6
80.02688	1.7
83.01385	1.8
84.02178	1.1
97.06618	1.2
115.60161	0.7
121.02937	0.8
123.08160	0.9
125.09704	14.9
126.10046	0.7
127.11292	0.7
130.02940	0.5
137.09702	7.8
141.10155	0.5
151.89781	0.7
155.10747	1.5
156.63013	0.5
164.08401	0.7
165.12869	1.4
169.08720	0.6
171.10281	0.6
251.11815	0.5
289.18127	1.7
291.19708	3.3
307.19128	8.9
308.19577	1.1
325.20053	1.0
372.15247	0.9
373.19794	1.0
373.23911	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	372.2023
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	4.0
61.98825	100.0
69.80640	1.4
83.01348	2.7
98.20727	3.4
100.00445	1.5
100.09122	1.5
112.38351	1.7
136.75702	1.7
156.77963	1.5
160.10980	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	372.2022
Annotation	Unknow
Peak:m/z	Relative Intensity
53.74630	0.5
58.69565	0.4
59.01354	0.9
59.39045	0.5
61.56376	0.4
61.98824	100.0
69.40324	3.1
84.38698	0.4
96.95988	0.4
119.61590	0.4
360.99368	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.098
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02374	0.5
51.03182	0.2
54.39063	0.3
57.03471	0.3
59.01098	0.3
59.01379	5.2
69.03451	15.4
69.29297	2.8
70.03780	0.4
71.01363	0.5
79.01881	9.1
80.02213	0.5
81.03443	0.9
83.01376	1.3
85.02934	0.8
91.01917	0.4
93.03432	0.8
95.01387	2.4
96.95997	1.2
97.02941	9.4
98.95585	0.6
101.02477	0.3
107.01381	25.5
108.01669	0.6
108.02251	0.5
109.02951	0.6
113.02436	0.4
118.70532	0.3
121.02969	1.9
122.03753	0.6
123.00872	4.7
123.04509	0.4
125.02435	16.3
126.02782	0.4
133.02940	0.5
135.00876	31.0
135.04507	1.6
136.01291	1.2
136.05344	0.3
137.02422	0.6
142.06639	1.1
143.06946	1.1
145.02957	0.4
149.02440	1.1
151.00352	17.0
151.03853	0.4
152.00740	0.9
153.01921	0.7
161.02470	0.5
163.04001	1.8
165.01910	0.6
166.02696	100.0
167.03473	45.1
168.03850	1.9
173.04584	0.4
177.01904	3.7
179.03496	0.8
181.04997	0.3
189.01910	0.5
191.03552	0.6
191.05582	1.5
193.05177	0.3
203.03490	1.0
209.04535	4.0
221.04520	0.5
223.02589	0.8
223.07666	0.3
246.05656	0.5
280.84094	0.3
311.07581	0.7
311.13965	0.5
327.08722	0.7
329.14682	0.3
339.07336	0.9
371.09845	10.7
371.14465	0.5
372.10205	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	372.0926
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	1.2
57.03434	2.9
57.19541	0.8
59.01096	1.5
59.01379	23.0
61.98529	1.0
61.98830	12.2
62.86246	0.8
65.28384	0.8
66.47758	0.7
66.96040	0.7
67.01891	2.2
68.99805	2.5
69.03416	0.9
69.63993	5.7
71.01375	15.8
72.99309	8.1
73.02944	2.3
75.00866	14.5
78.03493	1.8
81.03444	2.1
81.95313	1.7
83.01381	3.0
83.05037	1.2
85.02947	17.8
87.00856	5.6
89.02445	3.8
91.04031	1.0
93.03458	10.4
94.02937	1.0
94.03819	4.2
95.01377	5.5
96.95995	1.5
99.00890	7.1
101.02438	2.0
103.00379	6.6
108.02167	6.4
109.02995	4.3
111.00846	1.2
111.04560	2.1
113.02441	18.9
115.00389	1.1
117.01927	3.0
121.02979	1.4
122.02480	63.5
123.00806	1.0
123.02795	2.0
123.04520	8.5
124.04823	1.5
125.02455	1.2
128.03502	1.0
129.01939	1.9
130.99812	0.9
135.04523	7.1
136.04849	4.3
137.99580	1.0
139.00363	0.8
142.06606	26.1
143.06912	4.4
144.07347	1.9
151.03941	1.2
153.01917	6.9
155.03456	1.2
157.01421	0.9
158.05988	1.7
167.03484	1.7
167.07124	3.1
168.04167	3.6
169.05109	2.0
173.04539	9.5
174.04887	7.0
175.02473	2.1
179.03485	1.2
180.03822	2.3
191.05571	11.8
192.05945	7.1
197.04410	2.0
198.04865	2.4
222.02306	3.6
223.02554	1.3
224.01761	10.3
231.05095	3.8
240.01454	1.0
249.06133	100.0
250.06360	5.2
252.28799	0.8
253.07185	1.0
268.01038	2.5
286.01999	0.9
354.08841	1.5
372.09515	44.1
373.11398	6.2
385.95062	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.098
Annotation	Cycloshermilamine D
Peak:m/z	Relative Intensity
52.23408	0.6
55.01880	0.8
57.03439	3.0
58.00590	1.1
59.01372	15.8
67.01895	0.8
68.99809	2.4
69.03456	1.6
70.93994	1.9
71.01382	15.9
72.99305	4.9
73.02950	2.3
75.00867	18.5
79.26926	0.7
83.01405	1.0
83.05071	0.7
85.02942	19.2
86.18725	0.8
87.00880	6.1
89.02419	4.5
91.04016	0.9
93.03449	1.9
95.01374	5.3
99.00888	9.0
103.00361	1.9
103.29405	0.6
104.57102	0.6
107.26441	0.6
109.03008	0.7
111.00864	1.1
111.04536	0.7
113.02440	24.5
114.02840	0.6
115.00356	2.5
117.01929	3.4
118.61199	0.6
121.02943	100.0
122.03304	4.2
129.01930	1.9
157.01414	0.8
175.02493	2.0
189.04018	1.5
200.08075	0.7
231.05048	7.1
249.06123	73.2
250.06505	2.6
353.08627	1.8
371.09787	58.9
372.10159	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	371.098
Annotation	Unknow
Peak:m/z	Relative Intensity
55.30309	0.5
57.03444	0.6
59.01373	2.4
60.99296	0.4
67.01887	1.7
69.03458	0.5
71.01368	1.8
71.37300	0.7
72.99326	0.5
78.87499	0.4
81.03458	0.9
82.96200	0.4
85.02948	5.7
87.00870	3.3
87.31459	0.4
93.03455	12.5
94.03815	0.6
99.04535	0.4
109.02943	1.1
111.00889	0.4
111.04531	2.1
123.04491	1.3
127.04007	1.9
133.02956	0.8
134.03696	0.5
135.04523	25.2
136.04834	0.9
137.02460	2.3
142.06612	1.3
143.06946	1.2
151.02609	1.0
153.05528	0.5
155.03514	1.0
161.02443	3.0
167.03526	0.8
173.04535	33.4
174.04903	1.0
179.03505	2.5
191.05598	100.0
192.05902	3.9
192.99655	0.4
197.04558	2.2
207.64597	0.4
222.02071	0.5
223.02551	0.9
230.06181	0.4
283.06964	0.5
287.21548	0.4
341.08780	1.2
353.08707	5.8
371.09793	18.1
372.10028	2.1
384.13297	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.0979
Annotation	Cycloshermilamine D
Peak:m/z	Relative Intensity
55.01871	1.2
57.03442	2.9
58.00586	0.9
59.01379	20.8
67.01894	1.6
69.03437	1.1
69.54870	2.3
69.55299	3.0
71.01379	16.0
72.99310	6.3
73.02950	2.4
75.00873	19.9
83.01389	1.2
85.02946	23.2
87.00870	8.5
89.02453	5.0
93.03468	1.5
95.01371	6.2
99.00871	10.1
101.02442	1.9
103.00365	4.4
111.00861	1.3
112.01685	1.3
113.02446	30.6
115.00372	2.3
117.01932	4.1
121.02950	100.0
122.03287	4.2
129.01953	1.8
133.03036	0.7
135.04527	1.0
142.06613	5.0
143.06924	5.9
149.02293	0.9
149.05978	1.0
157.01367	1.2
166.02705	2.5
167.03577	1.2
175.02437	3.6
191.05598	1.4
193.03552	1.9
222.02280	2.6
223.02643	4.6
226.04527	0.8
231.05121	3.4
249.06119	26.2
311.07642	0.9
327.11002	1.4
353.08719	2.4
371.09790	79.4
372.10114	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	370.1867
Annotation	Unknow
Peak:m/z	Relative Intensity
57.47127	0.9
59.01366	2.4
61.58259	0.9
61.98824	100.0
70.12751	4.2
83.01381	5.4
84.64034	0.9
91.02007	0.9
104.55643	1.0
121.02913	2.4
136.05275	1.9
142.06645	3.6
146.90964	1.0
222.02261	2.8
223.02640	1.2
285.51938	1.0
335.30737	1.1
371.14563	1.6
377.84140	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	370.1867
Annotation	Unknow
Peak:m/z	Relative Intensity
51.57836	0.6
59.01365	1.3
61.98826	100.0
64.33667	0.6
70.46963	1.3
70.47325	1.4
83.01389	1.6
103.00465	0.6
107.12645	0.5
121.02946	3.5
125.17537	0.6
142.06636	2.4
222.02243	0.9
248.66550	0.6
307.62103	0.7
363.16159	0.7
371.14923	1.4
387.76956	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	370.0233
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05336	0.3
51.80849	0.3
59.01376	10.6
67.01886	0.5
70.10832	0.3
70.60095	0.7
76.57135	0.3
79.95725	6.9
82.24800	0.3
85.02964	2.0
87.00883	0.6
93.03447	2.0
94.03790	0.9
96.96001	1.7
103.00368	18.0
111.04491	0.4
123.04516	0.8
127.03964	0.4
130.06706	0.3
133.02937	1.1
133.29941	0.3
134.03310	0.9
135.04514	1.7
137.02443	0.3
142.06612	100.0
143.06966	6.3
146.18208	0.3
151.03822	0.3
158.06105	4.0
173.03307	0.3
173.04549	2.1
174.04895	1.0
179.03520	0.4
182.95837	0.3
186.05548	1.2
191.05598	18.4
192.05905	1.8
196.03168	0.4
204.06647	2.3
220.96674	0.3
222.02277	65.7
223.02614	4.5
238.01749	4.3
246.07632	0.8
266.01257	11.2
267.01511	0.6
284.02289	4.3
285.02664	0.5
326.03281	2.5
352.01294	3.9
370.02350	2.8
370.08228	0.6
371.02692	0.4
371.09711	1.1
387.46808	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	370.1867
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	2.8
61.98827	100.0
69.76080	3.6
83.01399	2.4
88.44118	0.6
97.06606	1.3
98.20596	0.8
99.91663	0.6
106.04259	1.1
121.02983	0.9
123.08176	1.7
125.09722	10.7
135.04468	0.6
135.08150	7.2
136.05267	0.8
142.06630	2.0
152.53514	0.6
153.09233	1.3
155.92448	0.6
220.24916	0.7
222.02315	1.5
230.17577	0.7
250.12186	1.0
287.16620	1.1
305.17422	3.4
328.21838	0.8
370.18350	1.4
371.14725	1.5
371.18796	0.9
385.27679	0.6
385.40738	0.6
390.26428	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.1808
Annotation	beta-Yohimbine N-oxide
Peak:m/z	Relative Intensity
53.75385	1.9
57.10952	2.0
58.08130	2.2
59.01380	7.0
60.60871	1.9
61.98834	13.5
96.95994	4.2
135.08218	2.2
142.06654	5.2
158.59517	2.1
177.12924	2.2
195.13927	3.4
197.67018	2.3
222.02322	4.0
249.22223	2.4
262.11868	4.3
277.18036	4.2
293.21201	66.6
294.21652	7.2
311.22244	64.4
312.22614	7.2
315.19464	3.5
333.20407	48.8
334.20761	5.7
368.08377	2.3
368.65970	3.0
369.18134	100.0
369.22736	10.3
370.18607	10.5
370.22827	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	370.0235
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	12.8
75.79484	0.4
79.95720	5.8
79.96140	0.5
80.96532	0.4
89.60360	0.4
96.96011	1.5
98.20626	0.9
103.00362	18.3
104.00751	0.5
142.06612	100.0
143.06956	6.3
147.35811	0.4
158.06102	4.8
170.24794	0.4
176.84703	0.4
186.05650	1.9
204.06602	2.0
205.06891	0.4
222.02278	70.4
223.02614	4.8
229.07924	0.4
238.01743	4.9
246.07697	0.7
263.17188	0.5
266.01239	12.6
267.01526	0.9
278.01614	0.4
284.02316	5.1
326.03302	2.0
352.01297	4.7
370.02350	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	369.1808
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	6.9
61.98822	6.5
70.89789	3.6
71.01382	9.2
76.25209	2.1
91.04003	2.8
142.06618	5.3
144.09688	1.9
147.84299	2.2
165.01624	3.6
171.10217	2.7
195.13792	2.3
200.10677	3.1
222.02417	4.0
222.08717	92.3
223.09003	5.6
231.16093	2.2
236.10088	3.1
254.07619	10.0
258.05081	13.4
277.18008	9.1
277.21674	6.1
293.21234	5.2
295.19427	4.8
295.22729	30.8
296.23053	5.1
311.22253	38.2
312.22733	4.0
333.20432	100.0
334.20724	9.2
354.51822	2.3
369.17984	36.7
369.22708	7.2
370.18439	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	369.1398
Annotation	Unknow
Peak:m/z	Relative Intensity
52.05056	0.6
55.01874	4.3
57.03445	3.9
57.29190	0.6
58.00593	1.5
59.01374	40.8
60.99293	0.6
61.98826	6.0
67.01875	2.5
69.03443	2.3
71.01377	59.9
71.30005	0.8
71.30330	0.7
72.01708	1.1
72.99303	2.3
73.02939	27.5
75.00861	2.2
79.95730	2.6
81.03447	1.4
83.01382	9.9
85.02947	30.6
87.00859	6.9
89.02438	21.2
90.02765	0.6
93.03450	16.1
95.01392	3.2
96.96025	1.2
96.96959	1.0
97.02938	4.1
99.00869	13.7
99.04517	1.3
101.02436	59.2
102.02757	1.9
103.00364	6.4
105.03442	1.7
109.02929	3.2
111.00869	1.5
111.04524	3.2
113.02442	21.3
114.02749	0.9
115.03989	2.8
119.03471	1.4
121.02953	0.7
122.03689	0.7
123.04524	5.8
124.04836	0.8
125.02441	6.5
127.03986	1.8
129.01883	1.9
131.03479	4.5
133.02939	18.6
134.03258	0.8
135.04506	1.1
137.02461	0.9
137.67342	0.6
142.06613	36.6
143.03481	3.7
144.90527	0.6
149.04532	4.8
151.02600	6.2
151.03967	4.4
155.03444	1.3
157.08363	0.7
158.06094	1.2
159.02953	5.0
161.04544	30.0
162.04950	0.7
165.02754	0.8
165.04149	14.1
173.04530	19.1
177.01897	5.3
191.05591	51.2
192.05937	2.5
195.02965	6.6
204.06657	0.7
215.05583	2.4
222.02286	22.3
233.06621	5.9
237.09766	74.1
238.01756	1.0
238.10153	4.7
265.48334	0.6
266.01215	5.1
283.06793	5.9
284.02319	2.1
293.08768	3.4
351.07291	3.6
352.01288	1.4
369.08469	5.7
369.13943	100.0
370.02457	1.2
370.09509	1.0
370.14310	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	367.2639
Annotation	Unknow
Peak:m/z	Relative Intensity
57.12776	0.4
61.98830	2.7
67.29352	0.4
71.73888	0.4
88.91936	0.4
89.68627	0.4
90.87199	0.3
105.06029	0.4
125.38121	0.4
133.06586	1.7
149.09714	81.0
150.10054	3.9
189.12956	0.5
191.05646	0.5
205.15964	78.9
206.16306	6.7
255.80627	0.5
264.88992	0.4
291.60876	0.4
309.30908	0.4
339.58359	0.4
367.26398	100.0
368.26730	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	368.1709
Annotation	Unknow
Peak:m/z	Relative Intensity
52.17403	0.7
59.01370	2.2
61.98826	100.0
64.96266	0.7
69.29937	6.6
86.52694	0.7
96.96052	1.7
98.38226	0.8
123.63021	0.7
124.05286	0.6
148.27444	0.7
162.25208	0.6
191.05717	0.9
250.94052	0.7
309.22137	0.7
321.88937	0.8
368.15823	1.9
369.17850	0.9
377.17972	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.0823
Annotation	Unknow
Peak:m/z	Relative Intensity
52.82867	0.8
59.01384	4.4
60.99307	2.1
67.01879	6.0
69.03453	1.8
71.01369	3.2
78.59898	0.8
79.95743	1.8
81.03465	2.0
83.05017	1.1
85.02944	9.9
87.00861	10.6
93.03451	41.3
94.03791	1.1
95.05027	1.3
99.00848	1.6
103.00349	4.4
105.03477	4.0
107.05035	1.4
109.02948	3.4
111.04529	6.9
114.15291	0.8
122.03740	1.0
123.04525	20.7
124.04816	1.5
127.03986	2.7
128.09245	0.8
133.02946	30.8
134.03323	1.5
135.04469	1.6
135.45531	1.0
137.02434	3.7
139.03960	0.9
142.05559	1.7
142.06615	21.2
149.02425	1.2
151.03970	3.7
155.03505	2.2
172.93697	1.0
173.04535	35.8
174.04822	2.0
177.01910	9.7
179.03424	1.2
191.05591	100.0
192.06021	5.2
195.02951	12.1
205.83537	0.8
215.05531	5.3
216.97942	1.6
222.02292	14.7
222.62689	0.9
238.01822	1.0
266.01297	2.2
284.02380	1.0
289.07101	1.6
326.76007	0.9
342.88864	0.9
351.07190	6.8
369.02762	6.8
369.08170	17.1
370.02914	1.0
370.08261	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1867
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	18.9
61.98828	100.0
65.14836	3.5
70.31811	3.0
93.03439	7.3
96.96008	9.3
97.02977	4.1
98.20629	9.3
116.51237	3.5
129.51198	3.1
134.03758	4.3
149.25768	3.5
154.66609	3.3
173.04521	3.8
191.05594	15.2
229.22810	5.2
291.19672	4.7
306.27335	3.2
309.20724	7.4
367.16415	49.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.2638
Annotation	Chemanox 22
Peak:m/z	Relative Intensity
54.95272	0.3
59.01379	0.4
61.98826	2.1
69.79643	0.8
69.80038	1.1
75.14812	0.3
78.95126	0.4
98.19951	0.5
104.94179	0.3
110.89893	0.4
111.62932	0.3
122.29410	0.4
133.06592	10.3
144.22319	0.3
149.09712	82.0
150.10052	4.3
191.05624	0.7
194.09430	0.7
198.84288	0.4
205.15953	45.2
206.16350	4.2
295.17053	3.8
296.17416	0.7
328.16852	2.1
343.58456	0.4
367.26382	100.0
368.26709	16.1
368.31448	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1794
Annotation	Nitropyrrolin C
Peak:m/z	Relative Intensity
59.01371	0.5
61.98824	1.2
67.01912	0.2
67.20142	0.2
70.94540	0.5
79.95733	2.0
85.02951	0.2
85.28117	0.2
93.03426	0.6
96.96006	100.0
97.95921	0.3
98.19729	0.2
113.09686	0.3
127.11269	0.3
134.03723	0.3
135.04491	0.3
137.02415	0.5
150.03197	0.4
151.03969	0.2
164.01122	1.3
165.01843	0.2
173.04530	0.5
179.03470	2.9
187.07614	2.7
191.05571	1.6
193.05087	0.3
218.88878	0.2
222.71898	0.2
255.84157	0.2
269.04547	0.3
269.21234	0.8
287.22253	12.9
288.22556	1.1
292.93884	0.2
307.10684	0.2
367.17905	62.7
368.18225	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	367.1793
Annotation	Unknow
Peak:m/z	Relative Intensity
51.17109	0.2
51.69992	0.2
54.63731	0.2
59.01371	0.8
61.98814	1.4
70.90125	0.4
73.06441	0.2
79.95730	1.7
93.03448	0.6
96.96004	100.0
97.95932	0.3
98.20612	0.2
109.02930	0.3
134.03717	0.4
141.12837	0.3
161.02483	0.2
173.04526	0.6
179.03491	0.3
191.05612	2.4
193.05031	0.5
269.21112	0.6
270.35031	0.2
285.20715	0.3
287.22260	12.9
288.22479	1.4
367.17896	62.8
368.18231	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	367.1676
Annotation	Polyneuridine-N-oxide
Peak:m/z	Relative Intensity
58.75717	9.7
59.01377	58.8
61.98824	100.0
62.97232	9.6
64.54469	12.5
69.64599	67.6
71.73819	11.3
93.03463	27.4
96.96012	30.0
108.55630	11.5
191.05539	71.6
329.23401	19.8
367.16965	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	367.1649
Annotation	Polyneuridine-N-oxide
Peak:m/z	Relative Intensity
55.63526	4.5
58.66625	3.8
59.01385	22.6
61.98827	31.2
67.07475	3.6
71.62256	5.6
87.00912	3.7
93.03497	9.0
96.95998	12.0
97.02947	9.7
128.87820	4.8
132.62550	3.9
133.88510	4.2
134.03702	7.6
171.10245	4.3
173.04539	8.7
187.18234	3.9
191.05624	19.6
193.04857	5.2
195.13857	6.7
240.13741	5.9
247.20667	5.0
262.11835	78.0
262.14508	2.7
263.12180	6.2
291.19659	71.8
292.19907	8.4
298.08237	6.5
309.20679	61.7
331.18863	54.3
332.19189	8.4
349.06317	3.9
366.99551	4.5
367.16492	100.0
368.16934	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	367.1063
Annotation	Unknow
Peak:m/z	Relative Intensity
53.34902	0.2
59.01379	2.4
71.01368	0.3
75.06601	0.3
79.95741	1.3
85.02950	0.6
87.00870	0.3
93.03457	0.6
96.10509	0.2
96.96005	100.0
97.95937	0.5
116.82343	0.2
134.03737	0.4
135.52042	0.2
151.04062	0.2
161.04588	0.3
173.04535	0.7
191.05571	3.6
205.12328	0.4
227.12871	0.7
229.64880	0.3
263.92056	0.2
287.14990	1.8
290.82153	0.2
307.18921	0.3
334.55991	0.3
367.10617	18.1
367.20993	3.1
368.10846	2.5
394.17953	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1605
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	5.3
57.03205	0.9
57.03445	4.7
58.00610	1.4
59.01373	36.6
60.99309	0.9
66.93537	0.6
67.01875	3.8
68.75323	0.6
68.82800	0.5
69.03463	2.2
70.61649	2.3
71.01374	53.3
71.04996	0.8
72.01730	1.0
72.99307	2.0
73.02943	32.8
74.63136	0.6
75.00880	1.3
81.03459	1.5
83.00603	0.7
83.01376	10.7
83.02407	0.8
83.05031	1.2
85.02942	33.9
86.00109	1.4
87.00861	8.4
89.02435	12.8
93.03451	23.6
95.01388	4.4
97.02953	1.8
99.00867	12.7
101.02434	55.7
102.02782	1.6
111.00900	2.0
111.04513	6.0
113.02435	23.8
115.03999	1.5
117.03472	4.4
119.03481	1.1
119.05005	1.1
121.02956	2.2
122.03716	1.0
125.02460	3.1
127.03999	1.7
129.01945	3.1
131.03511	3.2
134.03728	46.2
134.11476	0.6
135.04079	2.5
137.02402	1.4
139.04018	1.3
143.03510	3.2
149.02466	3.7
149.04573	2.0
149.06070	2.7
155.03452	1.7
159.02939	4.8
161.04552	22.5
162.04868	1.0
163.04016	0.9
173.04532	12.9
174.04871	0.8
180.34692	0.8
191.05586	78.4
192.05930	3.2
193.05032	43.5
194.05415	2.7
233.06534	1.8
235.11839	100.0
236.12143	8.4
293.08795	1.1
367.10522	6.6
367.16025	96.3
368.16400	10.7
383.37677	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1031
Annotation	Unknow
Peak:m/z	Relative Intensity
52.58775	0.2
59.01382	1.1
60.20260	0.2
65.01415	0.2
67.01874	0.6
69.52731	1.6
71.01373	0.8
81.03432	0.3
83.05004	0.3
85.02949	6.7
87.00876	2.2
87.47530	0.2
93.03451	4.9
98.19854	0.2
99.04498	0.5
100.21530	0.3
109.02923	0.6
111.04509	1.4
127.03996	2.6
134.03740	2.9
155.03461	0.3
160.01640	0.4
171.03035	0.5
173.04539	2.0
191.05595	100.0
192.05943	4.0
193.05023	1.4
224.86746	0.2
367.10339	1.7
368.10611	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1029
Annotation	3-O-Feruloylquinic acid
Peak:m/z	Relative Intensity
57.03442	0.5
59.01369	0.6
60.99294	1.4
67.01887	4.0
69.03448	1.4
71.01373	1.3
81.03458	1.0
83.05034	1.1
85.02946	3.7
87.00377	0.5
87.00872	5.0
90.33173	0.3
93.03453	24.1
94.03775	0.6
99.00895	0.6
99.04535	0.3
101.02455	0.4
109.02939	0.4
111.04506	3.6
113.02454	0.4
117.03439	1.2
125.95868	0.3
127.03998	0.8
129.01913	0.5
134.03734	11.3
135.04070	0.6
137.02393	0.7
143.03528	0.4
147.16360	0.3
149.06042	0.6
155.03441	1.4
161.05693	0.3
171.03052	0.3
173.04538	19.0
174.04889	0.5
175.03970	0.7
191.05594	100.0
192.05951	3.2
193.05022	5.4
226.07779	0.3
314.07809	0.3
367.10300	6.3
368.10632	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1031
Annotation	3-O-Feruloylquinic acid
Peak:m/z	Relative Intensity
57.03444	1.0
59.01374	3.9
60.99305	1.6
61.90970	0.6
61.98822	0.8
67.01891	5.0
69.03431	1.4
71.01375	5.7
71.06419	1.0
73.02939	2.4
81.03456	1.1
83.01376	1.0
83.05018	1.9
85.02944	6.8
87.00866	6.8
89.02437	0.9
89.03963	1.0
93.03448	26.6
94.03799	0.6
99.00879	1.5
99.04505	0.9
101.02422	4.8
109.02925	0.9
111.04493	5.4
113.02418	2.4
115.10736	0.6
117.03451	6.7
119.04963	1.2
121.93378	0.7
127.04057	1.3
129.01955	1.2
134.03731	74.6
135.04086	3.9
137.02464	1.1
149.06084	5.3
155.03510	2.7
161.04590	2.1
173.03094	1.2
173.04526	19.2
173.18785	0.6
174.04863	0.8
183.46489	0.6
191.05592	100.0
192.05971	4.5
193.05031	78.9
194.05368	4.5
235.11830	9.3
365.87991	0.7
367.10263	9.5
367.15964	8.0
368.16434	1.2
388.98999	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.0127
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03425	1.3
57.39138	0.7
59.01394	1.2
60.57056	0.5
61.98819	1.2
69.41193	4.0
69.41598	1.2
70.16791	0.5
71.01376	0.6
80.91214	0.7
85.02934	1.3
87.00849	1.0
93.03454	3.3
96.96002	4.0
109.02959	1.8
111.04495	1.3
121.02962	0.8
123.04525	1.2
123.76619	0.7
125.02436	3.4
134.03743	1.2
135.04526	1.7
137.01498	0.8
137.02443	5.0
147.04491	0.6
151.03990	1.1
157.06558	1.3
159.04512	11.6
160.04942	0.7
161.02475	1.8
165.01927	2.4
167.03514	0.6
169.06572	0.7
171.08142	0.8
172.05228	1.0
173.04539	2.2
173.06058	3.4
174.06441	0.7
175.03970	0.7
175.07634	2.4
181.06554	3.0
183.04454	4.9
183.75685	0.6
185.02446	3.1
185.06071	1.2
187.07648	1.0
191.05617	12.1
193.05067	1.3
196.05241	0.8
197.06055	6.4
199.03976	2.4
199.07590	2.1
200.04736	0.9
201.05566	10.8
202.05925	1.0
211.90321	0.7
213.05571	6.5
214.05962	0.7
215.07091	1.1
223.04315	0.8
224.04680	1.1
224.24466	0.6
225.05559	18.8
226.05928	2.4
227.03534	2.5
240.04239	2.6
241.05043	20.6
242.05415	1.4
243.06607	46.6
244.06906	3.4
251.03383	1.3
269.04538	95.7
270.04889	9.8
287.05603	100.0
288.05920	10.4
297.04144	0.8
349.00180	4.9
367.01242	86.5
368.01605	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	365.1788
Annotation	Unknow
Peak:m/z	Relative Intensity
55.47818	0.1
59.01379	0.4
59.67721	0.1
61.09164	0.1
67.80000	0.1
68.80321	0.1
71.61856	0.1
71.74133	0.1
72.96957	0.1
72.99275	0.1
79.95732	8.8
80.96509	0.1
95.95226	4.9
96.96004	2.4
109.96772	0.2
110.97562	0.2
133.02942	0.1
141.95769	0.5
151.00719	0.6
165.01985	0.1
191.05594	0.1
219.06924	0.3
231.06871	0.1
239.06697	0.1
271.09976	0.2
279.57486	0.1
285.04120	0.3
323.13138	0.2
335.13162	0.1
337.14743	0.3
349.14755	0.9
350.15149	0.1
363.16238	0.2
365.17853	100.0
366.18192	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	365.2693
Annotation	(+)-Plumosol
Peak:m/z	Relative Intensity
59.01379	0.9
69.94756	1.5
70.68752	0.4
77.44447	0.4
79.86503	0.4
85.06586	1.8
98.20610	0.7
126.90068	0.4
199.13367	2.0
251.19933	0.6
261.18530	1.5
279.19617	16.6
280.20023	1.9
347.25858	6.0
348.26215	0.9
363.25299	0.9
365.26920	100.0
366.27246	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	366.0827
Annotation	Unknow
Peak:m/z	Relative Intensity
56.80826	0.2
59.01376	2.2
59.40646	0.2
61.98845	0.2
69.53174	1.5
71.01358	0.5
73.02952	0.3
83.05038	0.3
85.02930	0.6
87.00870	0.3
89.02472	0.5
89.03938	0.4
93.03449	2.3
96.95998	0.2
98.20597	0.4
98.62939	0.2
109.02986	0.4
111.04501	0.7
116.05052	3.1
117.03439	1.5
121.02942	1.7
123.04514	0.3
132.04553	0.3
133.02957	0.6
134.03740	15.5
139.04008	1.1
149.02437	3.5
149.06075	1.3
151.03978	0.4
155.03552	0.3
159.03258	0.5
160.04027	100.0
161.04379	5.7
173.04556	1.7
177.01910	0.4
179.05676	0.4
186.85204	0.2
191.05576	3.4
192.86150	0.2
193.01437	1.2
193.05042	16.6
204.01146	0.4
204.02991	4.3
213.80627	0.2
285.87616	0.2
366.08246	20.9
367.09128	1.9
367.17499	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.1522
Annotation	Unknow
Peak:m/z	Relative Intensity
52.02695	7.3
55.55048	5.8
55.83417	6.2
59.01377	47.1
61.98831	13.4
69.65765	24.8
69.66174	14.2
96.96008	100.0
133.02957	7.7
171.10252	19.9
175.58577	6.8
185.11810	6.8
201.11249	16.7
209.11751	17.0
231.71616	6.7
291.19489	14.4
327.21713	29.0
329.23300	91.5
330.23495	7.4
365.15872	29.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.1635
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	0.7
61.31481	0.2
71.62751	0.2
79.95731	1.7
96.96004	100.0
97.95926	0.5
106.44087	0.2
116.99721	0.2
121.02937	0.4
131.04599	0.7
133.02950	0.4
135.04550	0.5
168.17281	0.1
173.40355	0.2
191.05527	0.2
264.08670	0.2
285.04050	2.3
285.20746	0.2
286.04230	0.3
365.16342	61.5
366.16644	7.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.1449
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	2.1
58.00588	2.0
59.01372	20.3
61.98828	34.9
69.29338	4.8
69.29771	5.2
71.01386	11.8
72.99305	4.6
73.02954	2.4
74.41050	0.9
75.00867	12.2
79.22227	1.1
79.95721	1.1
82.14272	1.0
85.02946	16.5
87.00880	6.5
88.62940	1.3
89.02432	4.2
93.03467	1.7
93.96542	0.9
95.01379	3.3
96.81768	1.1
96.96004	4.5
99.00874	7.6
101.02425	1.6
103.00378	1.5
106.39646	1.0
113.01680	2.2
113.02433	20.6
115.00381	2.1
115.07642	100.0
116.08004	2.9
117.01969	2.5
135.04520	1.3
138.32457	1.4
161.02429	1.5
171.34996	1.4
175.02527	2.7
191.05641	3.5
231.05115	1.3
249.06180	14.5
250.06522	1.3
267.07358	1.4
285.04031	2.4
291.19687	1.2
321.20740	14.1
322.20981	1.9
347.13336	2.3
365.14545	73.2
365.19562	12.4
366.15005	7.8
366.19244	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	363.194
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	57.1
61.98835	14.6
65.30634	10.4
67.43987	8.4
68.63997	9.5
69.28146	8.5
69.28435	100.0
73.86644	9.8
83.05041	9.4
96.96013	22.6
98.20653	17.4
101.28474	9.7
125.09703	14.9
137.09712	54.7
155.10709	46.0
171.10265	73.7
193.12300	16.3
263.20209	12.7
275.52820	11.0
291.19711	64.3
309.20670	14.8
363.21759	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	363.2175
Annotation	Unknow
Peak:m/z	Relative Intensity
51.35534	0.7
59.01375	100.0
60.01720	1.5
60.54023	0.5
61.98830	1.9
66.35614	0.5
70.80926	1.4
70.81270	0.8
71.01373	0.8
78.59983	0.6
79.95747	1.7
85.02938	0.6
87.57365	0.6
90.90239	0.5
96.95995	5.1
111.04554	0.6
111.90691	0.7
133.03075	0.7
135.04529	1.0
136.04938	0.7
150.06918	0.9
161.02501	2.2
163.58521	0.5
173.04585	0.8
174.05678	0.6
191.05672	0.7
327.21796	1.1
363.14938	0.7
363.19992	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.2539
Annotation	Sarcotol acetate
Peak:m/z	Relative Intensity
54.28141	0.5
55.37857	0.5
59.01374	2.3
64.85845	0.4
70.02057	1.6
96.95998	2.0
104.45335	0.6
189.44682	0.4
220.01297	0.5
269.19162	1.3
285.22226	18.7
286.22525	2.3
301.25351	38.0
302.25604	5.1
319.26428	9.1
320.26584	1.1
345.24344	4.2
363.25385	100.0
364.25714	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	363.1943
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	6.7
61.98810	1.9
62.92211	1.5
69.31596	7.1
69.32021	7.5
76.01176	1.8
91.72496	1.4
96.96005	12.8
97.06596	2.2
110.87122	1.8
113.09760	1.6
121.85254	1.7
125.09727	8.8
129.09222	12.1
130.42799	1.6
133.02969	4.4
134.03720	6.6
135.04623	2.9
141.09259	10.0
142.79698	1.7
149.06027	2.0
153.12860	1.7
155.10797	5.6
161.02399	5.1
171.10237	9.9
185.11842	23.6
193.05061	5.5
197.11807	19.4
201.11311	5.4
209.11839	4.5
227.12868	2.3
266.14273	2.7
275.50964	1.5
291.19662	8.2
307.18973	2.1
309.20703	18.7
325.20224	4.1
327.21738	100.0
328.22147	10.2
363.17377	16.4
363.21619	3.4
363.67310	7.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.1811
Annotation	Unknow
Peak:m/z	Relative Intensity
55.47748	0.4
57.03440	2.4
59.01381	5.4
63.04301	0.4
67.35183	0.4
67.94041	0.4
69.03460	1.3
69.38698	0.9
69.39105	3.2
71.01386	3.4
72.99300	1.9
73.02942	30.6
75.00890	1.0
81.03471	0.5
83.04998	0.6
85.02946	1.4
87.00880	0.5
89.02435	1.1
90.13064	0.4
95.01479	0.4
95.05014	1.4
96.96001	3.4
99.00912	0.5
101.02450	0.9
107.05025	0.9
109.06578	2.6
113.02457	1.8
113.06090	1.7
121.06574	1.6
128.43436	0.5
133.06555	0.8
135.08165	1.0
137.09676	0.8
147.08151	0.6
149.06271	0.5
149.09708	4.0
151.07619	1.0
151.11240	0.9
161.09763	0.8
163.11275	0.7
175.11201	0.5
186.11996	0.5
189.12906	0.8
193.12279	0.6
196.15720	0.4
213.12944	0.7
227.10797	1.0
227.14244	0.5
228.11475	2.6
229.12160	0.8
231.13834	0.6
241.12427	0.8
241.15596	0.5
243.13872	13.1
244.14311	1.2
245.15417	0.9
249.06107	1.1
255.14024	0.5
259.16986	5.1
260.17355	0.5
267.07208	2.0
268.14581	2.2
271.17023	3.3
273.18668	0.7
283.17047	11.4
284.17322	1.8
287.10364	0.9
287.16568	0.7
289.18112	1.9
291.19934	0.6
299.16473	3.8
301.18079	13.4
302.18481	2.1
303.15979	0.8
319.19125	22.9
320.19400	3.6
345.16602	0.5
363.07849	3.1
363.18097	100.0
364.18445	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	363.1812
Annotation	Unknow
Peak:m/z	Relative Intensity
51.20683	0.4
51.86689	0.4
57.03469	0.4
59.01379	1.6
71.01373	1.3
71.06715	0.8
72.99306	100.0
73.02940	0.7
73.99637	1.4
75.00880	0.6
76.45569	0.4
79.95728	1.0
87.04539	0.5
87.62833	0.4
89.02466	0.4
95.95181	0.6
96.96009	21.6
113.02446	0.8
113.06072	1.6
114.25038	0.4
143.34512	0.4
150.03267	0.5
150.97034	0.4
162.51080	0.4
165.05553	0.6
167.03539	0.5
227.14465	0.7
236.68185	0.4
241.00273	0.9
243.17351	0.6
267.07202	1.0
267.13657	0.4
283.17032	0.8
289.18121	0.9
299.16501	0.7
301.18097	1.6
319.19150	0.8
331.47110	0.4
345.17041	9.6
346.17319	1.3
363.07523	20.6
363.11499	1.1
363.17868	3.6
364.07822	1.6
364.18250	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.166
Annotation	Unknow
Peak:m/z	Relative Intensity
58.73840	0.5
59.01377	100.0
60.01715	1.6
60.08814	0.4
61.98828	0.5
69.94936	2.3
71.01397	1.8
72.99320	1.6
73.02953	1.8
75.00858	0.6
85.02961	1.6
87.00885	0.6
89.02447	0.9
90.31104	0.4
92.01790	0.5
93.03494	1.3
94.03706	0.4
95.01389	0.5
96.95995	2.2
101.02460	1.5
109.02946	0.5
113.02448	1.2
113.06101	1.5
119.48936	0.4
122.06141	0.7
135.03017	0.9
135.04521	0.5
136.07753	0.6
137.02466	0.5
141.09245	0.7
148.75525	0.5
161.04684	0.6
173.04535	0.9
187.02713	1.1
191.05592	6.4
192.05836	0.6
202.42705	0.5
245.18767	0.4
246.92239	0.5
249.06042	0.6
267.07370	0.9
275.16547	0.9
297.08652	0.4
301.18237	1.0
303.14557	1.9
309.08841	1.1
319.19208	3.0
321.15543	1.5
327.10092	1.4
363.12726	1.0
363.17905	5.0
363.24072	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	363.1659
Annotation	Unknow
Peak:m/z	Relative Intensity
53.64480	0.4
57.03439	0.6
59.01377	100.0
60.01706	0.6
65.24766	0.4
71.01371	4.4
71.61459	0.4
71.62280	0.5
72.99306	0.8
73.02953	2.3
83.01395	0.8
83.05010	0.7
85.02972	1.5
89.02463	1.4
93.03462	0.6
96.96018	1.6
101.02425	2.5
103.12047	0.4
113.02438	2.6
119.03500	0.9
137.09721	3.1
137.61507	0.4
149.09735	1.1
161.02449	0.6
161.04523	0.6
173.04521	0.5
182.86212	0.4
191.05621	1.0
216.29486	0.4
216.69675	0.4
228.76030	0.4
263.77301	0.5
271.17096	0.8
273.18649	0.7
275.20169	0.5
287.16785	0.5
289.18192	0.6
299.16534	0.7
304.11865	2.2
317.17526	8.8
317.20944	0.6
318.17929	0.8
319.19104	12.4
320.19424	1.6
322.13043	1.8
363.18112	10.1
364.18646	0.9
385.47156	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.1296
Annotation	Pyridaben
Peak:m/z	Relative Intensity
55.01876	2.2
57.03445	6.1
58.00587	1.9
59.01375	35.4
67.01883	2.0
68.99809	1.5
69.03443	1.4
71.01377	38.2
72.01714	1.0
72.99303	10.4
73.02949	5.0
74.99073	1.1
75.00870	33.4
81.03437	1.4
82.02982	4.0
83.01368	2.3
83.05009	1.2
85.02948	41.8
86.03269	1.2
87.00869	16.5
89.02437	13.8
91.03960	1.2
93.03490	1.4
95.01382	12.0
95.05043	2.1
96.96021	1.2
99.00883	16.9
101.02429	2.0
103.00384	4.6
109.02982	1.3
111.00886	1.4
113.02449	55.0
113.06082	64.4
114.02734	2.0
114.06409	2.6
115.00423	4.4
117.01936	5.5
123.08238	1.0
129.01920	4.6
131.03459	1.2
135.04546	1.5
136.04018	2.8
150.87413	1.0
150.88823	0.9
157.01334	1.6
164.03484	5.6
165.77852	0.9
173.04562	2.0
175.02458	4.9
183.10335	1.0
184.49821	0.9
186.68079	0.8
191.05568	3.1
191.07115	1.1
194.04605	2.0
195.86246	1.0
196.06111	2.3
205.07146	4.3
207.05112	2.7
223.08208	2.2
231.05098	3.3
243.13840	1.1
249.06129	50.7
250.06415	4.2
267.07190	100.0
268.07684	5.8
287.10327	11.2
303.10965	1.7
319.19165	10.1
320.19339	1.3
328.50851	0.9
331.09354	4.4
345.12097	2.0
361.76801	1.1
363.12933	99.3
363.17249	5.9
364.13242	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	363.1295
Annotation	Unknow
Peak:m/z	Relative Intensity
53.79805	1.5
55.01860	1.6
57.03440	4.0
58.00561	2.1
59.01378	28.7
69.24022	13.1
71.01376	31.9
72.99302	46.8
73.02963	2.8
75.00863	18.1
76.80964	1.3
79.95734	1.1
83.01376	1.6
85.02946	33.6
87.00871	11.8
89.02439	11.5
95.01360	7.8
95.05032	1.7
95.11047	1.6
95.95223	1.4
96.96008	10.8
97.10931	1.2
99.00863	10.4
101.02453	3.8
103.00388	3.5
113.02445	44.3
113.06072	26.1
115.00358	2.2
117.01942	4.0
150.03278	1.9
165.05603	3.3
175.02542	1.6
191.05582	3.4
195.06523	1.2
201.11371	1.8
205.07210	3.4
207.05023	2.1
223.08188	1.7
227.90355	1.2
247.06476	6.7
249.06055	11.1
251.58821	1.5
267.07184	100.0
268.07605	6.0
319.19116	1.8
345.17007	9.1
363.12943	56.2
363.17084	11.7
364.13376	4.5
364.17538	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	363.1296
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44719	1.8
55.01872	3.3
57.03440	5.3
58.00585	2.3
59.01378	46.8
60.01685	1.8
61.98830	3.1
67.01895	2.3
68.99812	2.8
69.03467	2.2
71.01382	37.2
71.62117	2.5
72.99306	13.4
73.02953	6.3
75.00867	34.5
79.95728	2.0
81.03471	2.7
83.01387	3.8
83.05017	2.2
85.02953	47.4
87.00861	13.9
89.02448	12.2
90.75904	1.5
93.03463	5.6
95.01384	12.8
96.96007	14.3
99.00870	21.1
101.02454	6.3
103.00386	4.2
109.02965	2.2
113.02448	59.9
113.06084	69.0
114.06384	2.0
115.00383	4.8
117.01939	3.7
121.06575	2.8
129.01964	4.6
135.04520	8.4
149.04767	2.8
164.04834	4.5
165.05583	2.2
173.04582	6.5
175.02493	4.6
181.03725	2.1
184.07144	1.6
187.02733	1.8
191.05583	10.7
205.07152	2.8
223.08281	2.0
231.05162	5.5
249.06125	50.7
250.06345	2.0
267.07199	90.5
268.07587	5.9
271.10788	2.6
287.10391	2.7
301.18231	5.5
309.08646	2.7
317.35721	2.2
321.15549	4.5
327.10052	3.3
345.11487	2.2
345.17374	10.4
363.12985	100.0
363.17645	12.7
363.23792	4.3
364.13361	9.2
364.17529	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	362.1455
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	100.0
60.01710	0.9
61.98822	1.2
63.75521	0.7
69.99775	1.6
70.00195	2.0
71.01392	2.4
71.93220	0.6
72.99310	2.1
73.02955	1.0
79.25061	0.8
79.95747	0.9
84.03882	0.7
85.02968	1.7
87.00906	0.9
89.02439	1.2
89.11688	0.8
93.03435	1.1
96.96035	5.3
98.20535	1.0
99.82472	0.9
101.02452	1.7
109.31493	0.7
113.02498	1.3
119.05022	12.5
120.05363	3.5
122.23753	0.8
133.69785	0.7
135.04558	1.7
136.81374	0.7
140.07173	78.8
141.07545	3.8
147.38840	0.7
163.04010	16.3
164.04306	5.8
173.04608	2.3
189.01859	1.0
191.05611	3.6
192.05794	0.8
201.11342	0.8
257.12985	0.8
282.38474	0.8
296.36957	0.9
302.12512	2.3
325.09338	1.1
326.09433	1.1
363.07437	1.4
363.16696	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	363.0755
Annotation	Sulfometuron methyl
Peak:m/z	Relative Intensity
59.01381	4.9
59.32854	0.3
70.75388	1.0
71.01373	2.7
72.99303	12.8
73.02939	0.7
79.95741	3.3
80.18152	0.3
80.81812	0.3
80.96510	1.9
85.02939	1.2
89.02443	1.2
94.98079	0.4
95.95254	0.6
96.96005	87.0
97.95967	0.4
101.02440	1.3
102.07048	0.3
108.02127	0.4
113.02418	1.0
113.06044	0.5
119.03526	0.4
122.97578	1.3
138.97035	1.3
139.63986	0.3
150.03233	1.3
150.97090	1.8
161.43185	0.3
164.98631	0.6
165.05521	1.1
167.03461	0.9
180.98097	1.4
191.05496	0.4
195.06599	0.5
241.00183	3.6
320.57285	0.4
345.17062	1.4
363.07507	100.0
364.07837	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	361.2593
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10675	1.3
59.01377	100.0
71.62750	1.5
71.63165	1.4
82.20653	1.1
129.33382	1.3
282.43210	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	362.0724
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	5.6
61.24806	1.1
61.98527	2.1
61.98830	38.7
69.25755	11.8
71.01360	3.6
73.02962	2.4
75.98812	1.4
93.03456	2.2
108.02169	64.9
109.03002	10.4
111.00883	1.4
116.81128	1.5
123.04561	1.7
152.01152	50.2
152.22653	1.2
153.01953	16.7
158.90791	1.2
163.04008	2.4
173.04657	2.5
191.05617	7.7
214.82065	1.3
220.34354	1.4
267.25705	1.5
299.07703	100.0
300.07962	8.0
362.01755	1.2
362.09460	2.3
362.16745	4.8
363.17416	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	361.2356
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	18.2
60.01696	0.3
68.77966	0.3
69.88710	0.6
69.89109	0.8
98.20584	0.6
105.59747	0.3
123.70614	0.3
131.83205	0.3
158.16165	0.4
169.62175	0.3
246.44032	0.3
261.22183	0.4
272.99786	0.4
279.23248	100.0
280.23587	10.8
361.15268	2.7
361.23560	22.2
362.15500	0.4
362.23834	3.2
372.08557	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.1404
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00421	0.8
59.01380	7.5
65.54962	0.8
67.02522	0.8
68.78972	1.1
71.01368	3.5
71.61732	1.3
72.99298	1.3
73.02925	1.7
76.56400	0.9
86.05651	0.8
89.02436	2.5
93.03436	1.2
94.72838	0.9
95.05029	1.2
101.02420	2.6
107.03815	0.9
110.06105	5.0
113.02423	1.1
118.06644	1.2
119.03673	1.1
120.04573	1.0
121.05318	1.6
122.06108	15.1
123.00890	1.4
131.03755	1.4
132.04538	3.0
134.06155	1.8
144.04529	3.6
145.05325	18.4
146.02426	1.1
146.04581	1.1
146.06075	7.0
147.03207	1.8
148.03993	2.5
152.03511	2.0
159.03229	5.5
160.04028	55.1
161.04819	26.4
162.05519	3.5
164.03496	1.5
173.04486	1.5
175.02663	1.9
176.03528	11.1
177.04282	9.4
178.04698	0.9
183.73865	0.8
188.03488	3.7
189.04297	72.7
190.04716	5.0
191.05576	3.8
192.03040	2.6
193.03783	14.7
203.05772	2.1
212.10880	1.1
220.06187	2.0
221.03336	15.3
221.06874	21.5
222.03622	1.0
222.07237	1.1
231.11400	3.4
243.11360	5.1
253.05852	8.6
255.11375	15.4
256.11752	1.8
267.11346	29.8
268.11755	4.0
271.10904	1.2
283.10822	3.3
285.12415	3.8
299.10373	11.6
300.10501	1.1
311.10339	40.4
312.10791	4.3
329.11368	16.9
330.11667	1.1
331.08820	1.7
331.12936	22.5
332.13272	3.5
343.12936	100.0
344.13327	12.5
361.09485	2.6
361.13882	29.3
362.09717	1.0
362.14355	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	361.1403
Annotation	Unknow
Peak:m/z	Relative Intensity
51.59305	0.7
59.01375	5.7
68.76036	0.7
69.97800	4.0
71.01355	1.7
72.99299	1.0
73.02934	1.2
79.06649	0.8
82.42368	0.8
89.02419	0.9
92.18597	0.8
93.03442	1.7
95.05012	0.8
96.96012	2.0
98.20526	1.3
99.00845	1.1
101.02420	1.5
105.89365	0.8
108.02126	1.0
109.02950	0.8
110.06125	3.7
111.00877	0.9
111.04474	0.8
116.05012	1.5
119.03703	1.5
120.04493	1.6
121.05318	2.0
122.06116	15.5
123.04562	1.0
123.06391	1.0
126.90350	0.8
127.94456	0.9
131.03731	1.2
132.04494	2.9
135.03070	0.9
135.04459	0.9
144.04536	5.0
145.05313	17.5
146.04610	1.9
146.06049	8.3
147.03217	1.1
148.04013	3.6
152.03523	1.4
159.03198	3.5
160.04025	55.5
160.60344	0.8
161.04810	27.3
162.05580	4.3
164.03354	0.9
173.04570	1.2
174.01836	0.9
175.02715	1.3
176.03514	10.6
177.04306	9.1
184.21616	0.7
185.69479	1.0
188.03453	3.7
189.04288	71.7
190.04858	5.7
191.05556	4.2
192.02942	3.7
192.05913	0.9
193.03775	17.5
201.95709	0.8
203.05850	1.1
209.05482	0.7
220.02409	1.1
221.03333	17.9
221.06886	20.5
222.03656	1.2
222.07286	1.1
224.10588	0.9
231.11258	3.4
243.11389	4.3
244.11743	0.8
248.03659	0.8
253.05872	6.0
255.11357	15.6
256.11703	1.5
267.11359	28.6
268.11746	4.1
271.10675	2.3
283.10675	2.7
285.12531	3.8
299.10361	13.5
300.10504	2.8
311.10352	40.3
312.10660	5.4
317.17313	0.9
329.11386	16.2
330.11594	1.7
331.08292	2.2
331.12943	20.8
332.08609	1.0
332.13095	3.0
343.12927	100.0
344.13248	12.5
361.09616	2.4
361.13907	28.5
362.14127	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.0694
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	5.5
58.00586	3.2
59.01373	26.6
61.98821	3.5
66.36767	2.7
67.01852	3.4
69.03452	6.6
69.34533	20.2
71.01369	15.1
72.99324	3.3
73.02942	4.2
83.01366	3.3
85.02946	10.3
87.00863	10.7
88.37400	2.7
89.02435	5.4
91.78362	3.2
93.03450	38.7
94.03805	3.5
96.96021	15.3
100.64513	2.6
101.02444	7.6
104.33426	3.2
106.03464	2.9
108.02193	3.7
109.02922	6.4
111.04505	8.1
113.02444	5.3
119.05007	33.0
123.04505	7.6
133.02928	5.0
134.03726	5.6
135.04504	9.2
137.02446	7.0
138.01942	6.4
139.02283	4.9
145.02953	4.9
148.05292	3.7
149.06013	5.2
155.03493	5.6
159.04451	6.0
160.05237	4.0
161.02425	4.7
163.04007	42.5
173.02374	4.4
173.04529	30.1
174.03288	3.8
174.04822	6.5
175.03981	8.5
176.04713	8.6
177.05620	4.9
178.06334	23.8
179.03430	6.2
187.03978	4.5
188.04767	29.2
189.05498	6.2
191.05605	100.0
191.07213	6.8
192.05998	15.5
193.06078	5.6
193.08650	9.5
203.07175	8.7
205.05000	3.6
206.05807	9.4
221.08176	89.4
222.08406	7.4
240.07547	4.3
242.05833	4.2
243.06210	3.8
247.06311	3.6
251.57559	2.7
257.08188	9.6
265.07162	62.0
266.07544	5.1
268.07224	3.3
297.92429	2.8
320.07010	4.1
325.09189	12.8
360.59512	4.5
361.06882	17.2
361.10263	5.3
361.15277	17.3
361.58624	4.7
362.19601	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	360.1297
Annotation	Unknow
Peak:m/z	Relative Intensity
51.04539	1.0
54.96597	1.0
59.01376	100.0
60.01690	1.1
60.82600	1.2
62.54887	0.9
64.27200	0.9
71.01392	1.5
71.61260	1.0
72.99287	1.4
85.02951	3.8
87.00900	1.6
88.04073	2.5
93.03444	7.2
96.95995	1.1
108.04533	1.1
108.11790	0.9
111.00933	1.1
111.04514	2.2
113.02453	1.0
114.01939	1.0
123.03236	3.5
124.07714	1.1
130.54158	1.1
132.03008	4.9
137.02403	1.3
138.05600	70.8
139.05928	3.0
173.04514	8.2
180.06630	2.5
191.05623	13.4
192.05965	1.6
194.46709	1.0
198.99966	2.6
241.04779	1.1
255.10045	1.1
257.08411	1.2
259.02371	2.1
271.02588	3.0
272.03268	1.7
288.17035	1.7
289.18130	1.9
300.10858	29.1
301.03653	2.3
301.11285	2.6
329.12332	1.7
343.04938	1.2
360.09399	2.0
360.16736	1.8
361.05392	5.7
361.15518	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.2202
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	21.0
59.61916	0.4
64.33891	0.4
71.01378	0.4
83.60088	0.4
94.73905	0.3
98.19815	0.6
109.99455	0.3
110.00558	0.3
116.58753	0.4
119.04980	0.5
201.84624	0.3
203.42542	0.4
233.22638	0.5
246.35983	0.3
277.21692	100.0
278.22037	12.8
359.21994	22.9
360.22366	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	359.259
Annotation	Nootkastatin 2
Peak:m/z	Relative Intensity
59.01387	1.2
61.98819	0.5
62.69023	0.2
70.89735	0.5
71.01386	0.4
76.41431	0.2
89.02435	0.5
95.55105	0.2
101.02435	0.2
102.26404	0.2
106.48306	0.2
158.99904	0.2
202.80687	0.3
217.00209	0.5
234.04709	0.2
240.56200	0.2
299.11160	0.2
323.22226	0.3
323.26031	0.3
359.25885	100.0
360.26227	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	358.2513
Annotation	Unknow
Peak:m/z	Relative Intensity
56.08677	51.6
59.01371	94.1
61.98829	83.8
64.28191	38.0
80.28584	41.9
84.03005	39.6
89.02371	49.4
97.43789	38.2
98.19749	100.0
136.18599	42.5
202.31230	41.7
229.45499	42.9
234.98419	41.2
297.36411	42.3
346.15790	42.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.0617
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	2.5
58.48434	0.5
59.01381	4.0
61.98820	1.1
65.00328	2.5
65.03934	0.6
66.73940	0.4
67.01887	1.8
68.99813	4.1
71.01378	2.6
78.95897	1.0
81.03455	2.1
83.01381	14.6
84.01689	0.7
85.02940	2.0
87.00875	0.5
88.50292	0.5
89.02443	0.7
93.03472	1.0
96.96018	1.1
97.02937	0.9
101.02429	0.8
107.01387	2.2
107.03612	0.6
108.02172	1.1
109.02951	9.8
111.00900	1.3
113.02460	1.1
119.03465	0.5
122.03764	0.6
123.00821	0.5
123.04556	0.7
125.02438	40.4
126.02805	2.1
133.02933	1.1
134.03755	0.7
134.04716	10.3
135.04520	10.9
136.04852	0.6
137.02443	1.6
139.03989	1.0
149.02441	3.1
149.06018	1.3
151.00360	15.5
151.03992	1.2
152.00822	0.9
153.01927	100.0
154.02248	4.0
161.02426	0.6
161.04706	0.5
161.06061	0.7
167.03471	1.3
169.01396	0.8
173.04485	0.7
177.01938	3.2
178.99844	4.8
179.03441	0.7
179.05545	0.6
191.05557	5.2
195.03024	1.8
197.04579	1.2
197.44594	0.4
207.02827	0.5
211.06215	0.6
242.05832	1.6
243.06360	0.5
258.61893	0.5
271.09753	1.9
279.02115	0.4
287.07837	1.2
297.09760	1.3
315.07153	8.7
315.10477	0.7
316.07559	0.8
341.05084	1.4
359.06061	11.4
359.09933	0.9
360.06747	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	358.2233
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03250	2.3
59.01376	6.2
60.51019	2.9
61.98828	100.0
62.17347	2.5
69.76956	2.9
70.81282	2.8
71.62511	3.1
83.01315	2.4
83.20859	2.4
89.02465	3.1
89.37743	2.5
96.28616	2.8
134.36688	2.6
134.63383	2.5
283.62546	2.8
316.13034	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	357.1916
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	0.8
57.03450	0.4
59.01377	100.0
60.01713	1.0
62.39958	0.3
69.03472	0.3
69.49760	1.3
69.50189	1.1
71.01379	8.2
72.99308	0.4
73.02942	2.5
81.67818	0.3
83.01414	0.9
85.02953	3.9
86.71293	0.3
87.00883	0.4
89.02446	1.7
95.01402	0.7
98.20628	0.4
99.00893	1.0
101.02437	4.4
113.02440	2.6
119.03463	0.5
134.73335	0.4
152.14687	0.4
159.02950	0.7
161.04538	4.7
163.63675	0.3
183.32085	0.3
188.31589	0.3
277.65982	0.5
315.18167	1.8
357.22891	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.2279
Annotation	oscr#21
Peak:m/z	Relative Intensity
53.53946	0.8
57.03440	2.3
58.89886	0.8
59.01371	5.1
61.98819	1.2
69.03446	1.9
71.01397	1.3
71.05014	0.8
71.61996	1.2
73.02943	0.9
75.80363	0.8
78.01057	0.8
81.03422	1.0
83.01390	2.5
83.05023	3.5
84.02164	5.6
85.06599	1.3
87.04495	2.5
93.03450	1.0
95.05032	5.0
96.96037	0.9
97.06584	1.7
99.04506	0.9
99.15388	0.7
106.04252	1.4
109.06537	1.7
111.04530	1.7
113.06093	2.0
121.02963	1.9
121.06499	1.1
123.04512	3.4
123.08160	1.0
125.09724	5.0
127.11340	1.8
134.06026	1.4
135.08159	2.6
137.02448	1.4
137.09723	1.2
145.12648	0.9
151.11302	0.9
151.82295	0.8
153.09113	1.8
165.12839	1.7
167.10788	1.0
170.09569	1.1
171.08775	1.8
171.10257	38.2
172.10608	1.8
185.08249	0.9
185.11783	1.4
187.07477	0.9
193.12315	11.1
195.13815	1.1
201.11281	3.7
211.13435	4.4
219.13809	1.3
221.11684	0.9
221.15416	0.8
225.14940	13.4
226.15329	1.3
229.10741	1.9
237.14908	1.7
242.64522	0.9
243.15964	8.0
251.16476	2.9
253.14566	1.5
269.17551	3.7
274.53995	0.9
281.17523	1.5
285.54977	0.9
289.17975	4.7
307.19141	1.4
315.21738	0.8
316.59552	1.2
324.51773	0.9
339.21732	2.4
342.10941	1.6
357.13776	6.6
357.22781	100.0
358.23093	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	357.1916
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03433	1.6
58.00591	1.1
59.01380	5.9
61.98804	2.2
69.66245	2.6
69.66652	3.2
71.01357	1.7
80.02681	1.3
81.03461	1.4
83.01349	1.5
89.73059	0.9
93.03463	1.5
96.96033	1.3
97.06593	1.8
107.05011	1.5
109.06573	6.7
111.04518	1.1
121.06599	3.7
123.08144	2.9
125.09721	18.9
127.11287	7.5
128.03596	1.1
133.06599	1.7
137.02509	1.2
137.06065	1.8
137.09660	1.2
138.03255	1.1
146.04591	1.7
149.06105	1.6
153.09116	1.4
155.10768	3.6
161.02408	2.9
164.94876	1.2
165.09218	4.6
167.07158	9.5
167.10814	5.3
171.10278	13.6
172.10605	1.7
173.04480	2.0
183.10156	1.5
185.11787	1.7
187.09807	1.6
199.09775	3.4
201.11305	100.0
202.11681	6.9
211.09729	6.5
213.11267	3.4
229.10783	54.3
230.11121	4.6
230.72241	1.2
285.15036	5.6
297.17392	1.1
303.15985	10.0
304.16241	2.4
321.17090	10.4
339.18082	10.1
357.13531	3.8
357.18991	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1189
Annotation	Grevilloside E
Peak:m/z	Relative Intensity
55.52785	0.4
59.01376	16.0
59.01676	0.8
61.98825	0.6
67.63686	0.4
70.35898	0.7
70.36286	0.8
71.01373	1.1
72.38452	0.3
73.02951	0.5
85.02918	0.6
89.02449	0.3
93.03445	0.6
96.96024	0.4
101.02390	0.5
108.02205	1.8
109.02946	2.4
113.02438	0.4
119.05018	2.0
121.02975	2.1
123.04520	3.4
124.01655	0.8
125.02464	0.5
127.09573	0.4
134.03770	0.6
135.04521	9.7
136.05295	10.6
141.40085	0.4
150.03203	0.8
150.06941	0.4
151.04012	3.1
151.07634	2.7
153.01926	1.5
161.04564	0.4
173.04625	0.4
177.05519	0.5
188.49590	0.3
191.05588	1.0
195.06609	100.0
195.64299	0.4
196.06960	7.0
196.62209	0.4
223.06128	0.4
224.96680	0.4
245.41588	0.4
255.68942	0.3
357.07971	0.5
357.11853	1.4
357.21646	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1917
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	3.1
59.01368	8.7
61.98805	1.7
69.03453	2.4
71.01376	5.7
71.05022	2.8
71.62730	2.3
73.02931	2.0
80.02667	2.9
81.03442	5.9
83.01369	1.9
84.19672	1.6
87.04520	2.2
93.03444	4.9
96.95995	2.0
97.02955	4.7
97.06606	3.3
108.02157	6.5
109.02943	1.7
109.06581	26.1
113.06056	3.4
118.62569	1.6
121.06595	15.5
123.04494	5.4
123.08160	40.2
124.08487	2.1
125.06075	3.6
125.09731	25.8
127.11274	9.1
127.30913	2.1
133.06593	2.7
135.04453	1.9
136.05315	3.6
137.02512	1.9
137.06085	24.0
137.09688	2.4
138.03198	6.6
139.07646	6.6
139.11301	4.1
141.05568	4.0
149.06052	5.2
151.07639	8.0
155.07147	2.2
155.10732	3.4
160.05292	2.8
165.09119	2.6
167.07124	91.2
167.10817	2.1
168.07443	5.2
171.10260	44.4
172.10562	3.2
177.05536	5.6
178.06358	2.8
179.07025	2.5
183.10257	2.2
185.08154	6.4
187.09717	4.9
199.09744	4.8
201.11310	100.0
202.11586	7.0
203.07132	7.8
206.05840	1.7
211.09686	2.8
213.11282	9.0
217.10802	6.1
221.08179	5.9
229.10791	19.7
230.11058	2.0
237.03937	2.7
251.12860	5.1
277.18124	4.7
285.14871	4.7
293.17627	4.3
303.16003	18.8
304.16470	2.0
315.18048	8.3
321.17029	80.9
322.17407	10.9
339.12347	3.5
339.18225	11.2
357.09500	3.0
357.13486	8.0
357.19070	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	357.0826
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	18.9
69.03483	0.5
69.38046	1.0
69.38451	2.9
71.01377	1.8
75.00897	0.7
81.03445	1.2
83.01392	0.7
85.02946	3.7
87.00863	0.7
93.03461	2.7
95.01385	2.0
96.96024	1.2
98.20642	0.9
99.00861	0.5
101.02425	1.1
105.01933	0.8
108.02171	100.0
109.02975	31.5
110.03253	1.1
113.02455	0.8
121.02966	1.0
122.03728	0.6
123.00875	1.4
123.04517	1.3
133.49539	0.4
134.03772	0.6
135.04523	67.5
136.01561	0.4
136.04889	2.9
137.54021	0.4
140.76839	0.5
150.06796	0.6
151.04008	1.7
152.01147	62.1
153.01941	22.6
153.05615	0.5
154.02298	0.6
163.03932	1.1
165.01837	1.2
177.04033	0.7
179.03407	1.1
191.05556	1.7
192.05986	1.0
193.06036	3.1
194.06374	1.5
195.03246	0.6
195.05032	2.6
195.06596	2.0
297.06125	0.6
299.07693	1.5
315.06979	1.0
357.08234	72.9
358.08749	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	356.1712
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98827	100.0
70.49580	1.9
83.01425	0.6
87.74190	0.5
107.65723	0.6
116.34961	0.6
121.02942	1.2
125.09713	1.3
151.23944	0.6
154.22234	0.6
158.12051	0.6
161.67494	0.5
185.08243	0.5
187.09790	1.3
216.54616	0.6
222.92299	0.5
233.41122	0.6
316.64288	0.5
339.43967	0.5
351.27161	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.0613
Annotation	3,8-Dimethoxy-5,7-dihydroxy-3',4'-methylenedioxyflavone
Peak:m/z	Relative Intensity
57.71745	0.3
59.01374	3.6
59.61568	0.3
66.88720	0.3
70.94244	0.4
70.94563	0.4
83.01369	0.4
86.19302	0.3
91.01874	0.4
92.57702	0.4
93.03457	0.5
100.08160	0.3
121.02943	100.0
122.03288	4.1
165.01918	0.9
180.05807	1.5
181.06572	7.2
182.06889	0.6
182.32214	0.3
209.86246	0.3
225.05530	5.7
226.05811	0.7
233.74586	0.3
279.40671	0.3
313.07147	7.6
314.07477	0.9
357.06116	35.4
358.06396	4.3
377.73694	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.2277
Annotation	19-(2-furyl)nonadeca-5,7-diynoic acid
Peak:m/z	Relative Intensity
53.97627	1.1
59.01361	2.1
59.27286	1.1
61.98835	1.4
65.11948	1.2
65.46687	0.9
69.94348	1.9
69.94755	3.8
85.02937	2.3
88.78363	1.1
94.14771	1.0
107.05009	1.4
109.02952	2.0
111.00869	1.4
122.03730	8.8
127.07628	2.0
135.04524	25.1
136.01653	2.5
147.08131	3.0
149.05951	1.8
149.09705	7.3
150.80180	1.0
151.07599	2.7
154.02742	2.2
161.09686	10.7
163.07643	3.9
163.11267	52.6
164.08388	16.2
164.11563	3.4
165.09192	8.7
177.09195	75.6
178.09943	23.2
179.10750	72.9
180.11061	4.8
183.10263	2.0
187.11317	1.7
190.05072	1.3
191.10771	14.1
193.08707	9.0
265.12439	1.4
279.13788	1.3
280.14627	2.6
281.15262	1.2
298.15692	50.4
299.16046	6.8
307.16949	1.8
309.22293	2.9
321.18604	1.6
337.21698	58.7
338.22003	8.6
340.20389	96.7
341.20724	15.7
355.22748	100.0
356.23096	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	355.1429
Annotation	Unknow
Peak:m/z	Relative Intensity
51.80422	0.4
59.01377	16.6
59.94442	0.4
69.63037	3.0
72.70838	0.4
79.95761	1.9
86.83326	0.5
93.03464	1.2
96.96004	100.0
97.95958	0.7
99.08100	0.5
105.23110	0.5
121.02946	0.6
128.99361	0.5
129.09183	1.0
135.04475	1.1
149.02365	0.6
151.04015	3.2
161.02480	0.6
179.03500	0.5
187.02690	0.8
191.05554	3.3
193.06107	1.2
212.05151	1.4
215.16533	3.2
257.17395	0.5
275.18597	7.7
293.14236	13.5
294.14478	0.7
295.12177	6.0
296.12302	0.6
327.09882	1.3
355.14276	82.1
356.14618	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	355.189
Annotation	Unknow
Peak:m/z	Relative Intensity
53.70237	28.6
59.01370	100.0
71.62251	35.1
96.96031	38.4
125.09730	40.2
185.11877	41.3
191.05624	49.6
192.05963	31.4
193.06071	30.9
209.11893	59.4
229.10774	53.0
241.22600	37.3
286.98593	33.7
355.24850	81.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1429
Annotation	Unknow
Peak:m/z	Relative Intensity
51.70853	0.4
57.31682	0.5
59.01097	0.8
59.01380	12.6
69.65948	3.4
75.91872	0.5
79.95739	1.5
85.02972	0.6
93.03444	1.0
96.96004	100.0
98.20601	0.9
121.02956	0.8
129.09204	1.2
135.04460	0.6
137.05188	0.5
149.02415	0.9
151.04004	3.4
173.04282	0.5
187.02760	0.8
191.05547	3.7
193.06061	0.9
195.13844	0.6
212.04988	0.8
215.16455	2.4
227.07378	0.6
275.18597	7.1
276.18933	0.7
293.14209	10.2
293.17230	0.8
294.14764	0.6
295.12256	6.0
296.12509	1.1
309.08707	0.8
327.10022	0.7
355.14279	76.3
356.14584	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	355.1429
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	16.8
61.98838	0.5
65.99846	0.4
71.01367	0.9
71.61675	0.4
73.02928	0.5
79.95729	1.8
83.01382	0.4
85.02956	1.1
85.17229	0.3
87.00883	0.3
87.90610	0.3
91.01886	0.5
93.03455	7.2
94.03797	0.4
96.96006	100.0
97.95943	0.4
101.02441	0.4
109.02947	0.7
111.04498	0.6
119.01390	0.3
119.04960	0.4
121.02935	0.5
129.09232	0.6
133.02908	0.4
134.03757	0.5
135.04523	5.2
136.04837	0.5
137.02428	0.5
149.02396	0.4
151.04005	2.4
161.02426	1.0
173.04552	4.4
179.03487	3.7
180.07904	1.1
187.02739	4.8
191.05597	10.6
192.05927	1.3
193.06104	2.2
207.06575	2.6
212.05193	1.4
215.16519	2.7
217.07309	0.5
219.01691	1.4
223.06126	0.4
227.07433	1.0
255.06580	0.3
257.17590	0.6
267.06561	0.5
275.18613	7.5
276.18927	0.4
293.14258	9.7
294.14560	0.7
295.12183	5.3
296.12512	0.8
297.08780	0.9
309.08749	3.4
311.11407	0.4
327.09827	6.3
353.08627	1.3
355.14285	74.0
356.14587	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	353.1863
Annotation	Kopsinoline
Peak:m/z	Relative Intensity
54.67703	1.3
59.01360	6.4
60.39707	1.2
61.98832	2.1
63.71482	1.4
66.52850	1.2
85.02935	4.9
85.31178	1.4
87.00876	1.6
93.03458	3.3
98.20617	5.1
105.67789	1.4
127.04028	1.5
135.04521	6.7
142.00748	1.3
152.31737	1.5
154.82306	1.5
171.10248	14.0
173.04535	5.9
179.03464	6.5
179.46674	1.4
191.05594	77.5
192.05981	2.5
217.29288	1.5
226.89960	1.5
229.66293	1.8
277.21680	13.6
278.22018	2.3
295.22791	22.9
296.23029	3.3
303.02518	1.3
322.81863	1.3
328.25018	1.7
328.29443	1.5
339.24991	1.3
353.18582	100.0
354.18906	11.2
359.63647	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2118
Annotation	Guayulin B
Peak:m/z	Relative Intensity
57.85994	0.3
57.89153	0.3
71.61955	0.5
72.47720	0.3
78.70292	0.2
80.45173	0.2
81.64615	0.2
82.65089	0.3
85.02958	0.3
94.71317	0.3
96.96015	1.3
99.33072	0.2
102.09266	0.2
107.05025	0.4
129.61655	0.3
147.08128	0.3
161.06094	0.4
163.11270	90.4
164.11603	5.5
177.09190	69.1
178.09534	4.4
191.05576	2.2
194.05716	0.3
222.08936	0.5
247.81371	0.3
353.21155	100.0
354.21490	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	353.0876
Annotation	Unknow
Peak:m/z	Relative Intensity
51.78763	0.4
59.01373	1.5
59.24010	0.3
65.17116	0.3
66.59901	0.3
67.01910	0.7
69.29037	3.3
69.29366	0.8
71.01366	1.2
85.02943	7.6
87.00880	1.2
93.03457	4.9
98.19869	0.5
99.00890	0.4
99.04533	0.4
109.02949	0.9
111.04501	1.2
127.04002	1.8
133.02969	1.1
135.04515	6.7
136.04922	0.5
155.03470	0.5
161.02454	2.2
171.03017	0.5
173.04527	8.1
174.04774	0.5
179.03511	5.5
191.05592	100.0
192.05936	4.8
205.05037	1.2
233.04507	1.5
267.94250	0.4
269.10941	0.4
353.08752	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	353.0875
Annotation	Chlorogenic Acid
Peak:m/z	Relative Intensity
55.11793	0.3
59.01376	0.6
63.22992	0.2
66.98021	0.3
70.61955	0.4
70.62280	0.4
71.01392	0.4
76.93589	0.3
83.05058	0.3
85.02945	5.3
87.00868	0.8
93.03462	1.7
104.29478	0.3
109.02930	0.6
111.04519	0.6
125.36504	0.2
127.03975	1.4
133.02887	0.3
135.04483	0.4
140.66595	0.2
148.67667	0.2
161.02428	2.1
171.02979	0.4
172.20636	0.2
173.04503	0.9
179.03473	0.7
191.05592	100.0
192.05945	4.4
201.21333	0.2
251.55566	0.3
353.08707	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	353.0874
Annotation	Unknow
Peak:m/z	Relative Intensity
53.24768	0.2
59.01379	0.9
69.03466	0.4
69.53155	1.5
71.01390	0.5
81.03479	0.3
81.57094	0.3
83.05033	0.4
85.02949	6.5
85.41505	0.2
87.00873	1.4
89.03939	0.3
91.05566	0.3
93.03459	3.4
106.04242	0.2
107.05030	1.2
110.28133	0.3
111.04532	2.0
117.03438	0.7
127.04031	1.8
133.02969	1.1
134.03732	4.8
135.04521	52.4
136.04837	3.0
137.02490	0.7
155.03513	1.3
161.02448	3.6
171.02910	0.4
173.04536	3.4
179.03485	53.6
180.03802	3.6
191.05595	100.0
192.05956	4.9
353.08740	16.7
354.09042	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	353.0876
Annotation	Unknow
Peak:m/z	Relative Intensity
52.29807	0.4
57.03445	0.9
59.01367	2.9
67.01881	5.9
68.46105	0.4
69.03453	1.0
69.33936	3.2
71.01377	3.6
76.03542	0.4
81.03456	1.0
83.05017	1.6
83.51527	0.4
85.02941	9.8
87.00873	2.1
93.03449	26.8
94.03802	1.1
99.04507	0.6
107.04986	1.1
109.02948	1.6
111.00869	1.2
111.04502	5.0
117.03436	0.5
127.04031	2.7
133.02956	1.9
134.03728	4.6
135.04517	73.8
136.04836	3.8
137.02438	5.3
155.03491	5.2
161.02428	3.8
171.02965	0.8
173.04529	100.0
174.04854	3.2
179.03482	69.2
180.03825	3.5
191.05591	53.0
192.05931	2.2
327.11179	0.4
353.08719	17.0
353.13010	1.0
354.08914	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.0873
Annotation	Unknow
Peak:m/z	Relative Intensity
52.34106	0.2
57.03461	0.2
57.88005	0.2
59.01367	0.7
69.54173	1.1
71.01374	0.5
85.02945	5.0
87.00867	0.9
93.03454	2.2
94.03796	0.2
109.02940	0.5
111.04516	0.9
127.03968	1.1
133.02959	0.5
135.04529	1.0
155.03329	0.2
161.02448	1.4
164.14578	0.2
171.03026	0.2
173.04517	2.5
179.03477	1.8
191.05594	100.0
192.05954	5.0
210.71626	0.2
353.08792	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	353.0875
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62706	0.6
57.03454	0.7
59.01373	1.4
67.01876	2.9
71.01369	2.0
83.05006	0.9
85.02938	6.8
87.00860	1.3
93.03450	16.4
94.16090	0.7
97.02971	0.7
101.88940	0.8
107.05019	1.0
109.02985	0.8
111.04541	3.5
116.68945	0.7
127.04006	1.5
129.50636	0.6
132.91991	0.6
134.03722	1.7
135.04518	44.9
136.04834	2.2
137.02411	3.1
154.79503	0.7
155.03470	4.4
161.02419	2.5
173.04533	100.0
174.04893	4.7
179.03488	67.4
180.03777	4.4
191.05595	46.7
192.05988	1.8
212.81837	0.9
353.08762	22.3
354.09146	2.1
362.59940	0.7
379.31479	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.0874
Annotation	Chlorogenic Acid
Peak:m/z	Relative Intensity
52.71856	0.3
57.03476	0.3
59.01360	0.7
66.79652	0.3
67.01852	0.4
71.01367	0.5
71.37199	0.7
73.02941	0.3
81.67765	0.4
82.90413	0.3
85.02940	5.3
87.00871	1.2
93.03458	2.9
93.59580	0.3
109.02950	0.5
111.04490	0.7
124.22458	0.3
127.03986	1.1
135.04498	3.7
161.02405	1.4
173.04536	3.4
179.03490	3.3
180.03775	0.4
191.05591	100.0
192.05937	4.3
353.08658	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	353.0874
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01363	0.7
67.01879	0.3
67.70238	0.3
69.73489	1.1
69.73900	0.6
70.25100	0.2
71.01377	0.5
85.02942	6.2
87.00854	1.4
93.03453	2.8
93.87826	0.3
102.28867	0.2
104.96242	0.2
109.02907	0.4
111.04499	0.5
127.03998	1.8
133.02934	0.5
135.04509	2.3
139.67899	0.3
161.02435	1.2
171.03056	0.3
173.04518	2.5
179.03493	2.5
191.05589	100.0
192.05930	4.4
260.99631	0.3
269.81500	0.3
282.75745	0.3
353.08783	1.9
354.09210	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2172
Annotation	8-iso PGF3alpha
Peak:m/z	Relative Intensity
50.93649	0.3
59.01371	0.6
60.99298	0.3
69.57988	0.6
69.58407	1.4
73.02974	0.3
76.82587	0.3
79.63017	0.3
79.95739	0.4
93.03446	0.6
96.96006	3.9
97.94780	0.3
98.95582	5.3
98.96415	1.2
102.05634	0.5
105.34256	0.3
106.74842	0.3
133.02989	1.5
135.04533	0.7
173.04523	0.9
177.01848	0.8
179.03413	0.4
191.05602	0.9
215.05504	0.7
257.19177	0.7
259.20514	0.5
271.20767	0.5
287.20117	1.2
289.21875	1.5
333.20636	1.0
351.21713	100.0
352.22037	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	352.0671
Annotation	Unknow
Peak:m/z	Relative Intensity
58.45561	0.7
61.38525	0.6
61.98828	100.0
69.70932	4.2
69.71244	0.7
85.02929	3.7
87.00887	0.9
90.20551	0.7
93.03463	2.8
98.20582	0.7
100.36635	0.7
127.04024	1.1
135.04501	3.9
161.02441	1.3
173.04588	2.9
179.03555	2.2
191.05598	41.6
207.05048	4.3
339.05209	3.1
353.08820	1.1
364.27618	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.0874
Annotation	Unknow
Peak:m/z	Relative Intensity
55.38992	0.3
59.01368	1.6
61.17840	0.4
67.01881	0.7
68.92626	0.4
70.35473	1.3
71.01377	0.6
73.02917	0.5
73.65853	0.3
76.48079	0.3
80.41342	0.3
83.05015	0.5
85.02942	11.0
86.03292	0.6
86.46227	0.4
87.00862	1.5
93.03460	4.6
98.20066	0.4
109.02933	1.0
111.04530	1.4
127.04003	2.5
133.02977	0.9
135.04544	3.1
155.03511	0.4
156.44878	0.3
161.02374	1.6
162.02652	0.4
163.27979	0.3
170.85846	0.4
171.02957	0.6
173.04527	3.7
179.03537	2.2
191.05597	100.0
192.05956	4.1
271.17914	0.3
345.53091	0.4
346.51901	0.4
353.08801	2.2
353.34692	0.4
353.58914	0.6
354.09250	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.1702
Annotation	Vindolinine N-oxide
Peak:m/z	Relative Intensity
52.35920	1.3
53.37375	1.7
59.01376	10.1
71.61444	1.7
93.03442	2.4
95.05017	5.9
96.95969	6.6
133.02917	8.2
135.04518	1.6
173.04541	2.8
177.01837	1.8
191.05585	3.6
195.13882	6.4
204.65236	1.5
215.05612	3.2
223.13380	4.7
225.01735	1.8
246.12518	1.6
275.20087	3.2
278.11288	9.7
293.21198	37.5
294.21423	4.3
314.07788	5.3
315.07678	1.7
315.25287	4.1
323.78534	1.6
335.25098	1.4
351.17050	100.0
352.17215	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	351.2022
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	100.0
60.01707	1.0
61.98823	0.5
62.77327	0.4
67.01900	0.4
69.03450	0.5
71.01384	1.0
71.62207	0.5
85.02947	1.0
87.00877	1.0
93.02885	0.7
93.03448	4.2
96.60680	0.4
96.96006	0.7
99.00945	0.4
101.02447	0.9
105.03499	1.4
107.05001	0.7
108.02200	0.4
109.02986	2.2
111.00934	0.7
111.04525	1.2
121.02982	1.0
122.03799	0.7
123.04538	0.7
124.01662	2.4
125.02467	0.9
126.03264	0.6
128.72981	0.4
133.02962	10.1
134.03778	2.5
135.04520	36.0
137.02448	1.2
150.03238	2.4
151.03984	4.7
161.02449	2.2
163.04128	0.6
173.04559	4.7
177.01920	2.8
179.03490	10.6
191.05580	7.0
194.02216	0.8
201.28745	0.5
215.05576	3.1
253.05182	0.7
259.34552	0.4
271.06271	0.4
291.18231	1.9
307.08331	1.1
308.09015	1.0
318.28616	0.4
351.07410	2.5
351.21841	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	351.1657
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	100.0
60.01717	1.1
60.99315	0.9
67.01883	1.4
69.96893	3.1
71.01372	0.7
73.02940	0.6
79.74014	0.6
83.05025	0.9
85.02952	2.1
87.00890	2.2
89.05340	0.6
93.03452	11.2
95.05028	0.9
96.95998	5.0
97.55177	0.6
105.03455	4.1
107.05045	1.4
109.02938	3.6
111.04532	1.8
119.05034	0.9
123.04511	1.0
132.02196	0.8
133.02948	20.4
134.03336	0.6
135.04526	6.5
137.02483	1.1
143.05087	1.9
150.03249	1.4
151.00385	1.1
155.03561	1.1
161.02524	2.3
167.04971	4.2
173.04530	16.2
177.01913	8.7
179.03548	2.5
180.05870	1.1
181.06638	2.0
183.04514	1.5
185.06160	1.1
191.05595	18.5
197.06100	1.9
207.98358	1.2
208.05360	2.0
209.06052	9.4
211.04134	1.0
215.05560	6.1
220.28000	0.7
223.00801	1.3
225.05507	4.8
227.07161	4.2
253.05035	54.3
254.05350	5.5
271.06122	16.3
272.06488	1.6
307.08362	0.9
333.00726	19.8
334.01184	1.6
339.05099	2.2
351.01724	6.5
351.07132	4.7
351.21774	1.6
352.08032	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.0176
Annotation	5,7,4'-Trihydroxyflavanone 7-sulfate
Peak:m/z	Relative Intensity
56.28716	0.5
93.03431	1.5
96.95982	2.3
98.95585	4.5
98.96441	1.2
130.08765	0.6
133.02925	1.5
141.07129	0.8
143.05017	4.1
157.06602	1.3
159.08104	1.8
165.70659	0.5
166.94739	0.5
167.04955	1.3
169.06564	0.6
173.04469	0.7
180.05826	1.3
181.06586	2.1
182.07249	0.7
183.04501	1.1
183.08089	2.0
185.06052	9.1
186.06329	1.0
197.06052	1.8
208.05298	1.3
209.06062	11.2
210.06447	0.7
211.03987	3.0
212.04742	1.5
224.04668	0.6
225.05534	7.3
227.07114	38.1
228.07469	3.5
252.04442	1.2
253.05034	87.4
254.05399	7.5
264.88641	0.6
270.17758	0.5
271.06082	100.0
272.06442	9.7
311.32581	0.5
351.01755	39.5
352.02069	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	351.1118
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	1.3
61.98823	0.2
67.01902	0.3
71.01373	0.5
71.62324	0.2
74.35513	0.2
79.95739	1.6
83.01389	0.2
83.05032	0.2
85.02932	0.3
87.00883	0.7
89.24635	0.2
93.03454	2.2
95.05041	0.3
96.96006	100.0
97.25481	0.2
97.95963	0.3
105.03457	0.8
107.01398	0.3
109.02930	1.0
111.04504	0.3
113.02475	0.2
119.05033	1.0
123.04549	0.2
125.02496	0.3
133.02966	5.1
135.04510	2.3
137.02426	0.3
151.00375	1.8
151.04079	0.3
171.10201	0.2
173.04547	2.6
177.01929	1.8
179.03513	1.0
191.05614	2.6
209.15492	0.3
211.13348	0.8
215.05644	1.5
227.07126	0.5
240.04259	0.2
253.04930	1.1
271.03140	0.3
271.06088	4.9
271.15512	0.6
272.06372	0.3
351.02487	1.1
351.07239	0.9
351.11118	14.8
351.14435	0.7
351.21777	2.4
352.11472	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	349.1866
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	3.9
57.03439	2.8
57.99751	0.9
58.00591	3.9
59.01376	100.0
60.01710	1.0
64.06387	0.9
69.03442	1.7
69.75782	2.2
69.76183	4.0
71.01377	73.9
72.99304	3.3
73.02943	10.4
75.00834	1.1
81.07093	1.1
83.01379	3.9
85.02950	19.0
87.00870	3.1
87.04510	1.5
89.02441	66.3
90.02763	1.3
95.01374	5.2
99.00887	4.4
99.04491	1.5
99.65149	1.2
101.02432	50.5
113.02435	31.0
119.02637	1.6
119.03493	30.7
131.03491	2.8
143.03464	6.1
149.04567	1.7
159.02925	1.8
161.04553	21.1
179.05588	11.8
187.13367	13.2
188.13739	0.9
198.56598	0.9
349.15207	2.7
349.18646	69.9
350.18912	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	349.2019
Annotation	19(R)-hydroxy-PGB2
Peak:m/z	Relative Intensity
57.02979	0.3
57.03436	0.5
58.78837	0.3
59.01367	1.3
71.01385	1.0
89.02396	0.4
96.96009	2.8
98.19847	0.8
110.57233	0.3
111.48739	0.3
113.06080	0.9
149.09737	0.6
202.80069	0.4
205.15968	0.5
269.08185	0.5
269.19086	0.4
285.18533	1.2
287.20129	2.2
303.19861	0.5
349.20157	100.0
350.20508	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	349.1038
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	0.5
55.46347	0.4
58.47036	0.5
59.01381	4.9
63.80930	0.5
67.01893	0.7
69.57994	3.3
70.52160	0.5
71.01380	1.4
72.99330	0.8
73.02940	1.6
82.02991	0.4
85.02957	0.8
87.00862	0.8
89.02447	0.7
92.05049	1.6
93.03437	0.9
93.35188	0.4
94.02993	0.9
94.06635	3.3
95.75945	0.5
96.96008	3.6
98.19837	0.5
101.02417	0.8
104.05051	2.2
105.03439	2.0
106.06615	11.1
107.03736	0.7
108.04546	2.2
110.02455	3.0
112.04066	1.3
113.02419	0.6
114.05613	4.8
116.15010	0.5
120.04548	4.3
121.05354	0.7
122.06110	11.4
132.04559	4.8
132.99097	0.5
134.03748	1.3
135.04558	0.7
136.04044	3.0
138.01944	0.6
138.05592	1.2
139.02728	3.8
144.08133	0.7
148.04012	0.7
150.05592	3.2
152.03526	1.0
154.05086	25.9
155.05409	0.9
156.06659	0.7
157.08795	0.5
161.04602	0.6
166.05064	0.6
173.04527	2.6
174.05646	0.5
174.09206	1.0
175.04036	0.7
175.06343	0.9
179.03555	0.7
191.05638	1.3
193.05035	1.4
200.07068	0.7
200.10876	0.7
201.07970	0.8
213.06642	1.2
213.10178	0.6
215.08353	0.5
218.08224	0.9
226.07552	0.5
231.07689	0.6
239.08232	1.9
241.09703	0.9
244.09796	0.7
257.09256	1.9
263.03470	0.9
269.09195	0.8
305.11395	100.0
306.11731	10.6
335.01923	0.9
349.05847	1.0
349.10062	11.0
349.20142	3.5
350.10284	1.3
350.16003	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.15
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	100.0
60.01714	1.5
61.56841	0.7
69.52822	5.8
71.01373	7.1
73.02945	1.6
85.02964	2.2
89.02440	5.8
93.03452	2.1
95.01382	1.0
96.95999	1.2
101.02460	4.5
103.60209	0.7
108.02192	0.7
113.02470	3.1
114.05676	0.8
119.03529	2.7
132.02184	1.5
132.36914	0.7
133.02962	2.4
134.03737	9.8
136.47995	0.8
149.06102	2.6
155.03528	1.0
160.01631	7.2
161.04590	2.2
164.76773	0.8
173.04524	10.1
175.04012	7.1
175.42627	0.8
193.05045	7.5
215.97969	0.7
249.92632	0.7
349.09430	12.1
349.14240	2.1
349.18930	1.4
350.09821	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	348.9858
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31308	0.3
59.01376	0.7
60.05629	0.3
61.98825	100.0
62.98532	0.4
62.99234	0.4
63.99249	0.7
70.73775	0.9
104.61545	0.3
151.10318	0.3
162.98486	1.8
166.02635	0.3
199.38060	0.3
203.99976	1.0
205.00110	2.6
205.99707	3.6
206.97423	75.6
207.93413	0.5
207.97527	5.7
244.45628	0.3
250.99268	0.3
272.91061	0.3
290.73666	0.3
301.06976	0.3
302.42297	0.3
348.98517	0.4
350.25195	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.0959
Annotation	Unknow
Peak:m/z	Relative Intensity
51.45936	0.2
51.86300	0.3
58.22783	0.3
59.01377	0.9
69.76789	0.3
69.84237	1.3
69.84641	0.5
79.95737	0.7
96.96007	100.0
97.90355	0.3
97.95921	0.5
98.42287	0.3
145.58133	0.3
154.99284	0.3
229.10252	0.3
269.13922	1.1
349.09583	14.5
350.05496	0.3
350.09845	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	349.096
Annotation	Unknow
Peak:m/z	Relative Intensity
50.78426	0.2
52.00859	0.3
57.62910	0.2
59.01367	1.1
69.49122	0.7
69.49518	0.9
79.95727	1.4
84.65578	0.3
96.96005	100.0
97.95982	0.4
159.01903	0.3
189.35793	0.3
269.13959	0.9
349.09576	16.1
350.09766	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	347.186
Annotation	Unknow
Peak:m/z	Relative Intensity
50.55578	0.5
55.29055	0.5
55.88847	0.5
58.00587	2.2
59.01371	1.6
61.97629	0.4
64.75500	0.5
66.79179	0.5
71.01375	1.7
72.67739	0.4
72.99304	1.4
73.02944	5.6
81.03426	0.8
83.05083	0.7
90.43569	0.6
93.03467	0.9
95.05009	1.3
96.96003	32.2
97.02924	0.6
98.19840	1.1
107.05039	0.8
123.08141	0.7
133.02951	1.8
135.04517	3.4
135.08186	0.9
137.09799	0.8
149.09706	2.7
151.95264	0.5
161.01234	0.5
161.02405	3.3
172.39043	0.5
173.04637	0.6
175.11182	0.7
177.95744	0.5
179.03452	2.0
191.05598	1.7
191.16415	0.6
196.60863	0.5
203.14467	0.6
227.14435	0.7
229.15987	1.5
243.17424	1.2
245.19107	3.0
255.17508	7.8
256.17996	0.9
257.19354	0.6
267.17529	1.9
269.15356	1.2
271.16989	3.7
272.17593	0.7
273.18558	5.6
275.20175	1.2
283.17105	2.1
285.18567	22.2
286.18799	3.1
287.16586	1.1
301.18091	13.4
302.18362	1.5
303.19626	41.5
304.19998	5.9
347.07928	2.3
347.18600	100.0
348.18930	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	347.199
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	11.1
59.01370	23.4
60.55725	8.2
64.32387	8.2
66.60698	9.5
70.89352	25.6
71.01338	10.1
71.10703	10.1
77.55224	9.2
85.37021	8.5
96.96003	15.5
104.76716	8.7
109.64453	10.3
113.09677	15.3
114.92155	8.3
234.80362	8.8
293.21173	100.0
294.21365	11.0
294.86176	9.4
347.07648	10.7
347.25919	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	348.2752
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	100.0
61.98830	1.9
63.70166	1.5
71.62398	2.4
87.22799	1.7
95.95259	2.1
96.96006	15.9
112.35773	1.5
119.05033	13.9
120.05372	1.9
127.75948	1.8
135.02905	2.1
136.02959	1.7
163.03992	13.7
176.67635	1.5
266.14282	5.9
266.64380	2.9
269.04437	11.6
348.16656	34.4
348.66861	20.0
349.16660	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	347.0803
Annotation	Unknow
Peak:m/z	Relative Intensity
54.28765	0.2
58.01794	0.2
59.01379	1.6
67.68958	0.2
71.01371	0.3
79.81435	0.2
79.95723	1.4
79.96103	0.2
82.18313	0.2
84.69054	0.2
91.46922	0.2
96.96007	100.0
97.95940	0.3
115.23257	0.2
133.02905	0.2
134.63629	0.2
135.04526	0.4
161.02486	0.3
179.03555	0.2
179.40256	0.2
191.05730	0.2
204.58069	0.2
205.05011	0.8
223.13347	0.5
267.12372	0.7
288.66772	0.2
310.26559	0.2
312.18027	0.4
347.08017	9.8
348.08517	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.1709
Annotation	Unknow
Peak:m/z	Relative Intensity
53.05080	0.3
55.35686	0.3
56.45980	0.3
57.03449	0.4
59.01094	0.7
59.01376	10.0
65.00130	0.3
69.52353	2.6
71.01382	5.0
72.99311	0.4
73.02946	5.6
75.00867	2.3
83.01371	1.1
84.86084	0.3
85.02935	0.7
96.96067	0.3
101.02439	2.2
113.02440	1.3
125.02483	0.3
143.10765	100.0
144.11099	4.2
151.00414	0.5
152.47993	0.3
155.10785	0.8
157.12350	2.6
169.12343	0.6
185.11787	2.7
197.11827	2.1
215.12907	1.1
273.05069	0.4
284.05255	0.4
296.62048	0.4
305.22388	0.8
347.24216	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.0537
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14503	0.8
59.01367	4.4
69.03445	1.0
70.98097	1.8
71.01368	1.7
78.95858	1.1
80.73934	0.9
81.41483	0.9
93.01307	0.7
96.95980	0.8
97.02915	1.4
109.02940	10.2
111.00877	2.3
121.03003	0.9
123.04476	0.8
130.04227	1.1
135.04509	17.1
136.04848	1.5
143.04999	8.2
147.04453	1.3
148.05225	0.9
149.06064	11.2
150.06459	1.0
151.03975	1.2
159.04478	2.9
161.02467	1.2
161.06068	13.9
161.80606	0.8
162.03166	1.1
162.06439	1.2
163.04010	2.8
165.05565	2.9
171.04526	11.7
171.17673	0.9
174.03157	2.7
175.03932	1.9
177.05550	27.8
178.05853	2.1
179.03406	1.3
187.03979	3.7
188.04703	1.8
189.05556	100.0
190.05847	6.2
191.03471	3.9
198.86328	0.8
203.03606	0.9
205.05046	5.4
207.06601	9.3
219.06528	1.3
221.04543	11.9
233.04576	2.0
249.07634	1.0
251.05679	4.5
267.08801	1.8
303.16064	1.0
309.06168	1.0
311.07693	42.0
312.08047	3.3
328.86441	0.9
347.14807	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	347.0804
Annotation	Unknow
Peak:m/z	Relative Intensity
52.57044	0.4
59.01381	1.8
62.15223	0.3
64.70657	0.3
67.01865	0.5
71.01373	0.6
71.62213	0.5
79.95727	1.4
85.02950	0.9
85.56890	0.3
88.21381	0.3
89.99209	0.3
93.03440	1.0
96.96002	100.0
97.95940	0.4
101.87296	0.3
109.02961	0.7
111.04499	0.4
117.03471	0.8
127.03088	0.3
133.02960	2.8
135.04504	7.0
136.04854	0.8
136.07689	0.4
139.86488	0.3
144.72559	0.3
145.83876	0.3
145.85213	0.3
161.02425	7.1
162.02736	0.6
173.04475	1.8
176.04016	0.4
179.03476	4.2
191.05600	5.4
192.05965	0.9
205.01411	0.5
205.04903	0.4
266.05972	0.5
266.56400	0.4
270.72986	0.4
337.54910	0.4
346.63550	0.9
347.08020	9.9
347.11935	0.8
347.24368	0.5
348.08331	1.0
353.08698	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	346.0556
Annotation	Adenosine 3'-monophosphate
Peak:m/z	Relative Intensity
52.54604	0.8
54.56615	0.6
59.01369	2.2
61.98824	1.9
62.09869	0.7
69.94656	0.8
71.01373	4.6
71.60783	1.0
73.02927	1.2
78.60522	0.7
78.95899	92.6
79.98192	0.8
85.02927	2.1
86.05642	0.7
91.70186	0.8
96.95999	1.0
96.96955	20.3
97.00425	2.9
98.01209	1.5
99.02026	0.8
101.02431	1.9
102.01956	1.1
106.46312	0.7
107.03602	2.8
109.02917	1.3
111.01978	4.9
113.02431	1.5
120.96956	4.4
134.04721	37.0
141.01799	27.4
142.02574	8.5
152.99580	0.8
161.04567	7.7
161.05913	1.2
183.02869	1.3
184.03593	3.1
188.05656	1.5
189.05540	6.8
191.05516	1.0
211.00111	100.0
212.00478	4.2
218.06586	1.1
258.02258	0.9
261.07208	8.5
304.07834	42.2
305.08182	3.7
311.07593	2.4
346.05420	24.3
346.08917	17.3
347.05643	1.4
347.09445	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1834
Annotation	Unknow
Peak:m/z	Relative Intensity
55.44440	9.3
58.52729	8.2
59.01372	26.6
63.89995	8.7
70.89552	14.3
71.01379	9.1
73.08380	8.3
75.41026	8.3
123.04517	14.6
125.83813	9.7
172.93311	8.2
200.04662	9.4
291.19577	90.7
309.20682	100.0
310.21164	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	345.228
Annotation	Unknow
Peak:m/z	Relative Intensity
51.16098	0.7
52.63618	0.6
55.69602	0.6
57.03411	1.1
59.01376	28.2
63.56561	0.6
66.73986	0.8
70.76025	1.6
70.76389	1.2
71.04997	0.8
84.03088	0.7
88.12018	0.6
89.15844	0.7
96.96007	0.9
99.08151	4.1
111.08099	1.3
113.09682	2.4
120.34217	0.6
125.09618	1.0
127.11270	1.2
129.09201	8.5
130.09547	0.8
139.11237	1.0
140.95073	0.6
141.09232	0.9
143.09911	0.6
143.10768	7.6
148.05296	1.0
155.10707	2.3
157.12303	1.4
169.12204	0.8
179.50963	0.7
208.60330	0.7
209.19035	0.8
227.20146	1.4
237.18556	3.9
239.20081	2.4
255.19606	1.7
257.15433	1.1
257.21155	9.4
258.21429	0.8
285.20663	20.4
286.21005	1.9
299.16452	1.0
303.21725	100.0
304.22119	10.6
345.17191	3.1
345.22775	32.8
346.17407	0.8
346.23141	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	346.0113
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	17.0
60.01712	1.1
61.01781	0.5
61.98825	100.0
71.08364	0.9
81.56563	0.4
83.83524	0.4
101.56858	0.4
158.03714	0.6
159.03421	0.8
187.48651	0.4
201.02513	2.0
202.02711	6.8
203.02266	9.5
203.99973	45.3
204.02652	1.5
204.02939	1.6
205.00084	4.0
262.72391	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.109
Annotation	Miraxanthin-V
Peak:m/z	Relative Intensity
57.03446	0.9
59.01365	3.3
65.07801	0.6
68.62280	0.7
70.36215	0.7
71.01363	1.1
75.00854	1.2
81.03447	0.6
84.04528	1.4
85.02947	2.1
93.03441	1.6
95.03745	1.7
96.08169	0.9
96.96005	1.6
98.20619	1.8
104.05031	0.7
106.06628	4.3
109.02946	0.9
112.03997	0.7
113.02439	1.0
122.06093	2.3
123.03252	0.8
124.07670	6.0
132.04549	38.9
133.05341	19.0
134.06126	6.0
135.04500	1.7
138.05602	0.7
146.02519	0.8
148.04019	2.0
150.05556	1.8
151.04057	0.7
161.02403	1.9
165.04298	25.3
166.04652	1.2
173.04504	1.1
176.07092	0.8
177.04318	3.5
178.05067	1.2
179.03400	0.7
183.10257	0.9
186.09195	3.1
191.05571	2.2
197.02942	0.8
198.09290	0.8
209.03242	6.2
213.06656	2.9
214.12364	7.4
215.11862	7.3
226.07370	1.2
227.08134	0.9
229.09784	3.3
240.10315	2.1
241.09779	4.3
257.08798	0.9
257.12933	22.9
258.13248	1.7
283.10843	8.2
284.11270	0.9
301.11917	15.4
302.12277	1.2
327.09756	1.2
330.30075	0.7
345.10895	100.0
346.11237	12.9
346.20151	0.8
362.16156	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.155
Annotation	(2E,6Z)-8-beta-D-glucopyranosyloxy-2,6-dimethyl-2,6-octadienoic acid
Peak:m/z	Relative Intensity
52.48050	0.7
54.39798	0.7
55.01879	1.5
57.03445	5.3
58.00609	0.9
59.01370	8.2
66.11775	0.7
69.03464	0.8
71.01373	19.7
71.01767	1.1
72.99304	7.3
73.02937	2.6
75.00865	28.9
82.96638	0.7
85.02945	27.0
87.00865	10.0
89.02431	3.6
93.03429	1.1
95.01366	2.6
96.96046	0.8
99.00860	3.2
101.02412	1.0
103.00364	1.6
109.02940	1.0
111.00835	1.0
112.01678	1.8
113.02438	18.1
115.00308	0.9
116.01134	2.6
117.01919	1.1
129.01935	1.6
133.01422	1.1
133.02946	0.9
151.11253	1.1
157.01440	1.0
161.02423	1.5
171.10223	1.2
173.04529	1.4
186.68454	0.8
191.05573	3.1
193.03453	1.6
228.59584	0.8
233.35030	0.8
333.33759	0.7
345.15497	100.0
346.15970	10.4
369.02899	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.2486
Annotation	Unknow
Peak:m/z	Relative Intensity
52.06500	0.4
54.19941	0.4
56.51565	0.4
57.67064	0.4
59.01379	1.0
59.52619	0.3
70.04443	1.1
70.04837	0.6
79.30650	0.5
95.82462	0.4
97.06627	0.5
99.08167	0.5
110.87360	0.4
111.29488	0.5
120.89881	0.4
121.10237	10.9
121.68217	0.4
125.09730	2.0
127.11292	1.7
137.09714	2.8
138.93961	0.4
139.11263	1.7
142.01970	0.4
145.24187	0.4
153.09236	1.3
165.09164	0.6
171.10258	64.0
172.10608	3.8
211.13348	0.5
215.12819	1.4
264.05997	0.5
293.21225	1.9
307.19040	1.4
312.99976	0.7
328.02216	0.6
328.05859	0.7
343.24850	100.0
344.25198	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	343.2485
Annotation	Tianshic acid methylester
Peak:m/z	Relative Intensity
57.03445	0.8
59.01360	1.4
62.35000	0.5
69.03429	1.5
69.73869	2.5
81.18088	0.5
83.05011	0.9
83.07801	0.5
91.32641	0.4
97.06561	1.1
98.20619	0.6
99.08157	6.4
121.10229	3.4
125.09720	3.7
127.11279	1.2
137.09738	1.2
139.11264	1.1
151.11314	0.6
153.09195	0.7
171.10255	20.6
172.10634	1.0
175.11220	0.8
181.23289	0.5
193.12317	13.6
201.11288	2.1
211.13371	2.4
225.11462	0.7
225.14935	15.9
226.15332	1.1
243.15974	5.5
293.21082	2.5
311.22171	0.8
325.23627	1.2
343.24847	100.0
344.25223	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	343.2487
Annotation	Tianshic acid methylester
Peak:m/z	Relative Intensity
59.01365	2.0
65.16669	0.4
69.03446	1.3
69.77198	1.5
69.77613	1.0
71.04999	0.5
83.05017	1.4
86.36626	0.4
95.05018	0.5
97.06573	1.2
98.19978	0.6
99.08154	8.1
99.40979	0.5
104.93791	0.4
109.06612	1.1
121.10233	2.3
123.08167	0.8
125.09740	3.1
127.11274	0.9
137.09715	2.0
139.11288	0.8
151.11334	0.8
153.09222	0.6
165.12866	0.8
167.10707	0.5
171.10258	18.0
172.10551	1.1
175.11232	1.3
193.12311	13.1
194.12605	1.1
195.13882	0.6
197.15424	0.4
211.13428	2.1
215.12830	1.7
225.14946	18.2
226.15297	1.4
243.15974	6.0
244.16315	0.8
245.19014	0.7
278.24545	0.4
289.18079	19.9
290.18448	2.5
293.21136	2.2
307.19171	2.9
325.20172	0.9
325.23560	0.5
343.24860	100.0
344.25192	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	343.2485
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03431	0.9
59.01381	4.5
69.03458	2.3
70.84222	0.8
70.84558	0.9
71.01383	0.6
71.05013	0.6
73.02919	0.6
79.01852	0.6
83.05025	2.1
85.02996	0.6
95.58385	0.4
96.32187	0.4
96.96008	5.3
97.06576	2.5
99.07539	0.8
99.08150	9.7
107.01389	0.8
111.08138	0.5
115.07635	1.1
117.07040	0.5
121.06551	0.6
123.08138	1.3
125.09715	7.9
127.11310	0.7
129.09184	2.2
137.09695	1.7
139.11281	0.5
141.09232	2.5
141.60898	0.5
143.10779	0.9
149.13350	0.6
151.11275	2.7
153.09128	0.6
155.10796	0.9
163.11218	0.5
165.12880	1.3
167.10774	0.9
171.10262	10.7
172.10440	0.5
175.04205	0.4
175.11276	1.0
183.39592	0.5
185.11797	1.3
187.09755	0.8
193.12318	15.9
194.12593	1.3
201.11308	7.1
207.83115	0.5
209.11761	1.5
211.13377	2.9
212.13783	0.7
213.11353	0.8
215.12836	1.7
225.07526	0.5
225.11324	1.1
225.14958	22.0
226.15280	1.6
227.12894	0.8
229.14464	0.6
235.13354	0.6
243.12355	1.4
243.15982	7.8
249.72710	0.5
289.18210	0.4
293.21225	2.3
297.97598	1.0
307.18948	2.4
311.22415	1.3
313.00055	0.9
325.20319	1.1
325.23978	1.4
328.02112	1.5
343.04529	1.2
343.24847	100.0
344.25201	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	343.2123
Annotation	Gallicynoic acid F
Peak:m/z	Relative Intensity
51.32814	0.7
57.03446	1.2
59.01375	58.7
69.03434	3.0
69.35007	5.4
69.35416	1.2
71.05010	2.0
72.10394	0.8
83.01396	0.9
85.06570	2.2
93.03364	1.0
97.06571	4.1
109.06562	2.4
111.08154	1.9
113.09740	0.9
115.07658	2.8
119.08643	1.5
123.08104	1.1
125.09708	3.0
127.07626	1.3
127.11288	2.4
129.09198	1.2
137.09680	7.1
139.07634	2.4
139.11284	1.7
143.10733	1.6
149.02400	1.2
155.10791	0.9
157.12325	3.5
171.10246	5.1
187.09785	3.3
189.16493	0.8
191.18159	1.8
201.11330	1.1
237.18578	3.0
270.01910	0.9
279.48193	0.8
283.19131	21.3
284.19504	2.3
301.20169	100.0
302.20529	10.6
307.19113	0.9
315.05029	3.2
317.22263	0.8
325.20102	3.0
343.04553	1.1
343.21219	59.7
344.21481	6.6
344.66962	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.2123
Annotation	Unknow
Peak:m/z	Relative Intensity
58.19438	5.8
59.01374	53.7
67.15226	7.1
69.26968	45.5
69.27371	9.6
71.01379	100.0
71.05010	5.8
73.02932	11.8
74.27073	6.3
83.05024	7.1
85.18196	5.4
88.19553	5.8
107.01402	11.2
108.01731	5.2
109.06589	48.5
120.86060	5.4
121.06696	6.5
125.09686	6.8
135.08160	6.1
144.95453	6.0
163.11270	30.3
171.10263	15.4
181.12286	9.7
199.09694	11.4
201.02420	13.8
207.10254	51.4
208.10619	7.4
225.11241	11.7
263.22723	5.8
269.97925	6.8
285.00348	6.7
297.97662	7.6
312.99805	20.0
328.02182	21.4
330.85300	5.8
343.04211	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	341.233
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03419	1.3
59.01380	7.0
61.98830	0.8
65.39034	0.7
66.13915	0.7
70.93811	2.0
71.01371	3.4
73.02941	0.7
83.04999	0.9
87.00919	0.7
89.02446	4.6
97.02979	0.9
97.06591	1.1
101.02454	1.5
109.02927	0.8
113.02432	2.1
113.09764	0.8
119.03487	1.6
119.04994	0.8
123.04518	2.4
123.08183	1.6
125.09679	1.5
125.22167	0.8
127.07608	1.5
137.09685	1.0
139.07704	0.9
142.02736	0.9
145.32230	0.8
151.11261	5.9
153.09233	4.0
154.09950	1.9
163.11310	1.2
165.12819	0.9
169.12338	1.6
171.10294	5.1
175.11349	1.0
177.12875	0.9
179.05598	0.9
179.14395	1.0
193.12331	1.0
207.53645	0.8
213.11273	4.8
214.11618	0.9
221.11797	1.5
237.14780	0.8
239.13104	0.9
247.20624	8.3
273.18719	1.5
291.19635	100.0
292.19974	11.1
309.20688	44.0
309.23495	0.6
310.21039	5.6
315.37106	0.8
323.22144	1.3
325.20325	1.0
341.10782	2.2
341.23291	83.5
342.23688	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	341.233
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	2.0
69.03446	2.2
69.65951	3.3
79.05484	0.7
82.46107	0.6
83.05025	1.1
84.02154	1.9
84.64030	0.5
89.81744	0.5
95.05014	1.1
97.06583	11.7
125.09707	1.9
126.10229	0.5
127.11312	0.7
137.09663	0.8
151.11211	0.8
165.12767	1.1
171.10271	6.8
175.11272	1.3
183.13849	0.9
190.94635	0.5
193.12318	15.7
194.12669	1.2
197.15459	0.9
201.11240	0.7
211.13356	4.8
215.12892	1.7
221.11775	1.0
225.14944	20.4
226.15245	2.1
237.14992	0.7
243.15997	8.3
253.14458	1.4
277.18292	0.5
291.19885	0.9
341.23288	100.0
342.23602	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	341.1967
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03429	0.8
59.01374	4.0
62.49229	0.5
67.01891	0.6
69.03448	1.9
69.86905	0.4
69.87910	1.3
69.88333	1.4
71.00352	0.4
71.01365	1.3
71.05001	0.9
81.03436	1.1
83.01367	1.0
83.05007	1.8
84.02157	4.9
85.02945	0.6
89.02454	1.2
92.58967	0.5
95.05009	2.2
97.02937	2.6
97.05954	0.8
97.06581	13.4
99.04508	1.7
101.02423	0.7
109.06622	0.9
113.02477	0.7
117.88209	0.5
119.08660	0.7
121.06573	0.6
123.08160	1.2
125.09715	6.7
127.11269	0.6
135.08148	0.9
137.09695	1.5
143.07146	0.7
151.11249	0.9
155.10725	0.6
165.12823	1.0
167.10699	1.2
169.08734	0.5
171.10258	18.7
172.10558	1.0
175.11221	1.1
179.05554	0.9
180.57741	0.5
185.11829	1.9
187.09773	1.1
191.10730	0.5
193.12317	14.3
194.12680	1.1
197.15404	0.6
201.11328	4.9
203.10860	0.7
207.10229	0.6
209.11812	2.0
211.13365	2.3
213.11389	0.8
215.12889	0.6
221.11768	0.7
221.41872	0.6
225.11458	1.0
225.14940	17.2
226.15280	1.3
243.15973	6.9
248.02177	0.5
253.14462	1.7
259.72171	0.5
279.19568	0.9
291.19568	2.5
305.17502	0.5
323.18628	1.0
323.22330	0.8
341.23288	100.0
342.23633	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	341.233
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	0.6
59.01368	1.6
69.03449	2.5
70.62516	1.2
71.01366	0.8
81.03455	0.5
83.05018	1.4
84.02155	5.2
89.02415	0.6
95.05048	0.5
97.02947	1.6
97.05952	0.7
97.06584	10.9
99.04502	1.3
104.92794	0.3
111.08128	0.6
119.08665	0.9
125.09692	1.6
127.11315	0.4
135.08160	0.7
137.09720	1.9
149.13322	0.9
151.11287	0.6
165.12798	1.0
165.70233	0.3
167.10666	0.4
171.10246	14.6
172.10622	0.9
175.11282	1.1
177.12805	0.6
183.13916	1.0
193.12321	14.8
194.12686	1.1
197.15506	0.7
209.11801	0.6
211.13388	2.9
221.11847	1.7
225.14949	20.7
226.15239	1.7
238.12112	0.4
243.15974	8.7
244.16231	0.5
253.14406	1.4
273.18610	0.4
291.19690	1.0
305.21112	0.7
323.22333	0.4
341.23282	100.0
342.23608	12.3
342.31342	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1967
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	2.3
59.01365	3.8
60.58728	1.1
61.95086	1.1
65.18495	1.2
69.03458	2.3
69.65044	7.6
71.01389	2.2
83.05019	4.7
84.02158	13.6
85.02953	2.3
88.22887	1.2
89.02446	1.6
95.05025	2.8
97.02950	3.3
97.06583	7.1
97.07117	1.1
98.19891	2.3
99.04513	3.6
107.05012	1.7
109.06626	1.1
111.08180	1.4
117.99099	1.3
123.04517	1.7
125.06082	1.3
125.09709	4.3
127.07574	1.6
127.11239	1.2
135.08148	2.1
138.85631	1.3
141.12759	1.4
151.11235	1.4
163.11179	1.9
165.12877	1.6
171.10249	25.1
172.10706	1.5
181.12358	2.6
183.13889	8.2
185.11832	1.9
193.12332	5.0
197.11812	2.1
199.09709	1.3
207.10205	2.4
209.11853	14.8
209.32086	1.3
210.12146	2.8
211.13400	7.4
225.11336	1.5
225.14938	6.2
243.15984	1.5
279.19635	1.6
287.16565	1.6
289.45343	1.4
291.19778	1.1
305.17578	2.8
341.23294	100.0
342.23663	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	341.1967
Annotation	2,3-Dkpgf1alpha
Peak:m/z	Relative Intensity
56.43329	1.4
57.03435	5.2
58.00591	3.5
59.01387	7.1
69.03445	3.9
70.62247	3.1
70.62583	2.4
71.01377	4.9
71.05015	8.0
73.02946	1.9
80.02668	1.8
80.81422	1.5
81.03442	4.7
83.05015	3.3
85.02964	1.8
87.04517	2.3
89.02464	3.6
95.05021	4.7
97.06577	4.3
98.03734	8.1
109.02946	2.3
109.06586	34.8
111.04459	1.5
123.04562	2.1
123.08132	9.0
125.06086	1.9
125.09713	25.8
126.10041	2.4
127.07645	19.7
127.11267	11.1
135.08165	1.7
137.09703	2.7
139.11282	1.7
141.09216	3.4
141.29004	1.5
151.07593	3.4
151.11224	1.8
153.09203	4.0
154.51080	1.5
155.10780	5.0
165.09171	6.0
169.12379	1.8
171.10266	13.1
176.49843	1.5
177.01895	3.0
179.05708	1.6
183.10239	1.4
185.11845	2.6
189.01884	4.3
195.10211	7.5
199.09752	7.9
199.13364	1.7
201.11307	100.0
202.11649	6.3
209.11856	7.2
213.11290	68.0
214.11659	4.3
215.12808	1.5
217.01341	2.4
221.11781	1.7
227.12834	3.2
233.11856	2.7
235.13387	1.5
251.12846	27.2
265.14441	5.5
269.65134	1.4
274.93347	1.5
287.16519	25.3
288.16852	2.8
299.83359	1.4
305.17538	19.8
306.18011	2.6
323.15021	2.9
323.18619	37.8
323.22385	1.9
324.18909	3.6
341.06586	5.8
341.10617	3.0
341.19647	74.0
342.20078	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	341.1965
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	54.0
61.98838	5.8
70.89694	7.8
70.90018	6.6
71.01375	96.9
73.02931	4.6
79.65366	4.2
81.03448	10.4
83.05011	13.0
89.02420	20.5
95.02160	4.4
97.02955	17.3
97.06585	25.2
101.02457	8.9
109.06590	95.4
110.03731	7.9
113.02438	6.0
119.03481	8.6
121.06590	5.3
123.56922	4.4
125.09679	5.9
126.01221	5.2
133.02914	4.5
135.08192	13.9
136.05212	8.6
142.02687	5.8
161.09703	7.0
163.11267	48.2
164.39500	4.0
171.10217	13.5
179.05594	11.7
181.12306	14.7
185.11792	6.1
199.09703	13.4
207.10243	100.0
208.10526	5.5
225.11302	22.3
242.05312	4.3
290.68512	4.7
341.10840	9.1
341.23236	7.1
341.27441	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	341.1965
Annotation	Unknow
Peak:m/z	Relative Intensity
53.33775	0.6
56.78349	0.8
59.01377	7.3
59.28801	0.8
69.40685	6.5
71.01378	7.6
76.56549	0.8
89.02442	6.2
95.01382	0.8
98.20661	1.4
99.11843	0.8
101.02436	1.8
109.06573	3.0
113.02433	1.7
119.03506	1.7
127.11242	1.1
133.41562	0.6
137.09714	2.9
141.09209	38.9
142.09535	2.0
151.67844	0.9
155.10767	39.4
156.10994	1.6
163.11255	1.3
171.10245	15.2
172.10579	1.0
177.01828	0.9
179.05661	1.9
199.09740	13.0
207.10168	3.7
217.10776	100.0
218.11133	5.5
266.62946	0.8
277.36212	0.7
278.10046	0.8
341.05359	0.7
341.10748	2.2
341.19580	4.7
341.23315	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1084
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03433	2.0
58.00586	3.1
59.01374	100.0
60.01697	0.8
69.52843	5.1
71.01376	66.0
72.01711	1.2
72.99289	2.8
73.02922	1.6
79.73124	0.7
83.01376	1.8
85.02939	9.2
87.00864	4.9
89.02438	81.9
90.02769	0.9
95.01373	3.5
98.19915	1.5
99.00891	1.3
101.02437	31.9
103.75435	0.8
113.02436	23.5
113.39337	0.8
119.03491	32.0
125.02417	1.0
131.03510	4.2
132.72551	0.8
143.03488	7.5
149.04536	2.7
161.04515	9.6
179.05592	34.0
180.05840	0.8
341.10834	54.2
342.11160	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1237
Annotation	Unknow
Peak:m/z	Relative Intensity
53.83796	0.7
55.01869	0.7
57.03439	2.0
58.00582	1.7
59.01376	100.0
60.01707	0.9
69.03434	1.2
69.47526	3.4
69.47949	2.1
71.01379	49.9
72.01721	1.1
72.99303	2.0
73.02943	34.2
75.00871	2.1
83.01366	8.9
85.02942	11.5
87.00905	1.7
89.02437	24.0
93.03475	2.5
95.01398	3.9
96.96003	5.0
97.02962	1.3
99.00870	2.1
101.02436	33.5
109.02927	0.8
113.02442	23.5
114.02850	0.9
119.03554	9.3
119.05015	40.9
120.05378	1.7
125.02423	1.2
131.03503	3.7
133.02878	0.9
134.03741	6.8
135.04492	4.0
137.02449	3.3
137.06102	2.1
138.00528	0.7
143.03526	3.0
147.02969	0.8
149.04539	1.2
149.06125	1.1
155.03577	1.0
161.04532	5.2
173.04469	0.9
177.01926	1.5
179.03539	2.8
179.05634	6.7
185.79364	0.9
193.05072	7.1
197.57458	0.8
281.10278	16.5
281.13168	1.3
282.10632	1.4
299.11334	5.4
341.11008	3.5
341.19724	1.0
349.25378	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.0908
Annotation	Unknow
Peak:m/z	Relative Intensity
50.81580	0.3
53.21284	0.4
53.22157	0.4
53.32075	0.4
57.03432	0.6
58.00562	0.4
59.01091	0.8
59.01379	10.8
71.01381	7.2
71.62196	0.7
72.99290	1.1
73.02947	0.7
75.00843	0.5
79.95736	2.9
80.96514	1.6
85.02928	2.0
89.02436	6.8
93.03467	0.7
95.95242	1.5
96.96008	81.2
99.00864	0.4
101.02454	3.3
109.02924	0.7
113.02435	2.8
115.39635	0.4
119.03487	1.6
119.05017	0.4
121.03002	0.4
122.97578	1.6
134.03732	1.7
135.04526	1.0
136.16452	0.4
137.02429	0.9
138.97089	1.2
143.03477	0.6
149.02412	0.7
150.97064	1.4
161.02472	0.7
161.04590	0.9
170.78706	0.4
173.04597	0.4
179.03476	0.9
179.05598	3.0
180.98120	1.0
191.05629	0.9
193.05080	2.0
193.06531	0.4
198.99275	0.8
201.11281	0.7
223.06158	0.4
241.00204	3.0
254.78719	0.4
255.06615	1.6
261.13358	0.5
341.09061	100.0
342.09335	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	341.1084
Annotation	Sucrose
Peak:m/z	Relative Intensity
57.03456	1.3
58.00584	3.0
59.01376	100.0
60.01715	1.3
69.46326	4.8
71.01377	65.4
72.01710	1.2
72.99306	3.5
73.02940	1.3
83.01384	2.2
85.02946	10.5
87.00878	3.3
89.02438	81.6
90.02780	1.0
95.01385	4.1
98.19926	1.4
101.02435	32.5
102.02782	0.8
109.57664	0.5
113.02439	26.0
114.02792	0.7
119.03492	30.0
131.03482	5.2
143.03496	8.1
147.12465	0.6
149.04562	3.2
161.04533	9.4
179.05595	37.1
341.10852	45.2
342.11148	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	341.1084
Annotation	alpha,alpha-Trehalose
Peak:m/z	Relative Intensity
55.01884	2.0
57.03442	2.1
58.00587	3.4
59.01374	100.0
60.01714	1.6
65.26553	0.7
69.46381	5.5
69.58268	0.8
71.01377	65.5
72.99306	3.2
73.02955	1.5
81.46505	0.7
83.01392	2.4
85.02956	8.5
87.00866	3.7
89.02439	78.8
90.02793	1.2
95.01377	3.8
101.02435	28.3
102.02796	1.0
113.02442	27.8
114.02773	1.0
119.03496	29.4
120.03823	1.0
125.02435	0.8
131.03474	3.8
135.04562	1.2
143.03464	7.3
149.04546	2.5
161.04578	9.1
165.04199	2.6
179.05582	30.4
180.05969	1.2
214.82071	0.8
312.44888	0.7
341.10840	45.8
342.11267	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	341.0873
Annotation	Unknow
Peak:m/z	Relative Intensity
55.12996	0.9
59.01377	1.5
62.18827	0.7
70.61422	0.7
70.61768	2.4
71.01380	5.0
73.02928	0.7
74.34493	0.8
82.39407	0.6
87.00858	1.3
89.02433	1.3
89.03943	3.1
96.96011	1.0
99.00892	5.4
101.02460	2.5
105.01901	1.2
106.04280	0.8
117.03465	8.4
119.03440	0.9
133.02876	0.8
134.03732	93.3
135.04070	3.7
137.02377	0.8
147.03021	7.4
149.06067	8.0
150.06534	0.8
165.04007	5.3
178.02654	4.7
193.05037	100.0
194.05374	5.7
341.08704	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.0876
Annotation	Grevilloside F
Peak:m/z	Relative Intensity
59.01375	7.5
71.01372	4.9
71.06153	1.5
73.02939	2.2
75.00917	0.7
79.66939	0.8
82.67921	0.7
89.02448	4.6
89.03967	0.9
93.03442	1.0
96.96004	4.0
101.02434	2.6
103.61913	0.7
107.05024	1.7
112.42534	0.7
113.02436	1.0
117.03458	2.8
117.56818	0.7
119.03509	2.0
130.17575	0.7
130.53716	0.7
133.02893	0.8
134.03735	18.8
134.81900	0.7
135.04520	100.0
136.04863	4.3
136.96561	0.7
137.02386	1.2
140.66562	0.8
145.03044	0.7
149.06081	2.2
161.02417	3.2
179.03488	91.3
180.03827	4.9
193.05046	19.3
194.05449	1.0
221.04558	1.2
251.05626	1.2
281.06766	1.6
341.08365	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	341.0874
Annotation	Unknow
Peak:m/z	Relative Intensity
51.94752	0.8
59.01377	7.1
68.13599	0.6
70.35571	2.5
71.01382	5.2
72.31093	0.6
73.02933	3.4
80.93907	0.7
83.01394	0.7
85.02938	1.4
87.00876	3.2
89.02441	3.9
89.03965	2.7
93.03502	0.7
96.96001	2.2
99.00852	0.7
101.02441	2.9
103.04030	0.7
105.01932	1.4
113.02480	1.5
117.03470	8.3
119.03491	1.2
119.05047	1.8
134.03731	100.0
135.04021	3.9
137.02434	2.6
143.03616	0.7
147.03004	0.8
149.06056	7.0
165.04036	8.5
178.02754	3.3
179.03499	1.4
179.05573	1.0
193.05040	99.8
194.05373	6.3
341.08408	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.0735
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	0.5
57.03425	0.5
58.00585	0.7
59.01377	30.2
60.01700	0.5
67.94338	0.4
70.45522	0.9
70.45890	0.9
71.01377	20.9
72.99303	0.8
76.88989	0.4
80.83257	0.4
81.51496	0.5
83.01408	0.8
85.02951	2.7
87.00865	1.6
89.02438	24.9
90.02764	0.5
95.01373	1.0
101.02425	9.4
113.02427	7.8
113.03149	0.7
119.03489	9.1
122.03609	2.7
131.03503	1.5
135.04518	2.5
136.07657	0.5
143.03470	2.4
149.04578	1.7
150.01814	1.4
151.02649	2.0
161.04529	2.9
163.06253	1.2
165.04161	100.0
166.04460	2.6
179.04089	0.9
179.05612	11.2
180.06718	0.7
207.05209	2.4
283.06821	1.3
297.08337	1.7
341.07230	2.6
341.10858	16.0
342.11227	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.0663
Annotation	Unknow
Peak:m/z	Relative Intensity
56.43172	0.3
59.01365	1.4
59.55231	0.3
65.00335	0.5
67.01914	0.3
70.33213	0.3
71.01366	1.0
71.07457	0.7
81.03442	0.4
85.02953	0.3
89.02426	0.8
89.03952	0.7
91.01911	0.7
93.03422	0.3
95.05009	1.7
101.02429	0.4
103.05526	0.9
105.03443	0.7
106.06654	0.6
107.06942	0.4
108.02173	0.6
109.02942	17.8
110.03265	0.7
117.03457	0.8
119.03465	0.6
119.05003	1.8
121.02956	0.9
122.03738	0.7
123.04518	17.6
124.04832	0.7
126.28483	0.3
133.02945	4.3
134.03680	0.5
135.00856	0.7
135.04530	0.7
145.02930	2.4
146.03745	0.3
147.04510	4.5
148.01653	0.7
148.04832	0.4
149.02423	0.7
150.03206	1.7
150.05595	0.5
151.03995	8.2
151.05904	0.7
152.04306	0.5
159.04488	1.4
161.02431	3.3
162.03207	1.0
163.03935	0.5
175.03978	0.8
176.01112	1.2
177.01913	26.4
178.02234	1.4
179.05756	0.4
187.04019	2.1
188.01137	0.6
188.04573	0.5
189.01910	62.4
190.02658	16.0
191.03497	12.6
192.03844	0.7
201.01881	0.4
203.03476	6.8
204.03738	0.4
216.00610	8.2
217.01385	33.2
218.01987	3.4
219.02948	12.8
220.03438	1.4
222.01740	0.6
229.08766	0.4
231.02953	10.3
232.03592	1.8
233.04523	1.0
255.06561	0.5
281.04541	2.2
297.07617	1.2
323.05591	2.0
341.06619	100.0
342.06949	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	341.0662
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00591	0.5
59.01375	6.8
63.24409	0.5
68.31059	0.5
71.01382	4.3
71.62061	0.8
81.03443	0.6
85.02927	0.6
89.02436	5.7
89.03967	1.2
91.01870	0.6
93.03439	1.5
95.01418	0.6
95.05029	1.2
96.96008	1.8
99.78602	0.5
101.02452	3.2
103.05548	1.0
104.95098	0.6
105.03465	0.8
108.02180	0.8
109.02943	18.5
110.03233	0.7
113.02419	2.3
117.03459	1.4
119.03492	2.0
119.05070	1.3
121.02940	1.0
122.03773	0.5
123.04517	17.3
133.02956	4.3
135.04539	2.5
145.02940	1.8
147.04512	5.5
148.01634	0.6
149.02409	0.9
150.03192	1.8
151.03996	7.4
159.04428	1.4
161.02431	4.8
161.04552	1.1
162.03180	1.6
163.03976	1.0
165.01906	0.6
176.01155	1.6
177.01912	25.5
178.02287	0.7
179.03474	1.5
179.05579	2.4
187.03990	1.8
188.01157	0.8
188.04691	0.7
189.01915	60.3
190.02650	15.6
191.03487	12.8
192.03891	0.6
201.01941	1.3
203.03505	7.0
212.52866	0.5
216.00612	9.2
217.01393	33.2
218.01933	3.8
219.02974	13.7
220.03247	1.0
231.02965	9.2
232.03522	1.1
233.04529	1.2
281.04526	1.6
297.07639	1.3
306.21606	0.5
311.09100	0.8
323.05606	1.5
326.11627	0.8
341.06635	100.0
342.06915	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	341.0658
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01894	0.1
59.01374	0.2
65.00337	0.3
65.03960	0.3
67.01884	0.2
70.36576	0.2
70.36929	0.1
71.01384	0.2
77.03970	0.2
79.05507	0.1
81.03421	0.4
83.01398	0.1
87.01878	0.1
89.02460	0.2
89.03962	1.2
90.37624	0.1
91.01877	0.8
91.05527	0.1
93.03459	0.7
95.01369	0.2
95.05022	2.2
96.05348	0.1
101.02470	0.1
102.04727	0.1
103.05537	1.2
104.02677	0.2
104.05829	0.1
105.03459	0.7
107.05061	0.1
108.02168	1.0
109.02945	20.3
110.03286	0.8
113.02407	0.1
115.05553	0.3
117.03444	1.4
118.04243	0.1
119.03510	0.1
119.05019	1.7
120.05376	0.1
121.02948	1.3
122.03741	0.8
123.04516	18.2
124.04835	0.7
131.05014	0.3
132.02162	0.1
133.02951	4.1
134.03665	0.5
135.00879	0.8
135.04514	0.2
137.02432	0.1
139.03998	0.2
141.95741	0.1
143.43790	0.1
145.02946	2.4
145.04099	0.1
146.03764	0.5
147.04515	5.8
148.01637	0.6
148.04829	0.2
149.02443	0.9
150.03217	2.0
151.03998	8.4
152.04347	0.4
158.03697	0.2
159.04501	1.7
160.01648	0.2
161.02432	3.7
161.06108	0.3
161.11539	0.1
162.03227	1.1
163.00343	0.1
163.04019	0.7
173.02440	0.4
174.03085	0.1
175.03983	0.8
176.01123	1.4
176.04689	0.1
177.01912	27.4
178.02235	1.4
185.02550	0.1
185.06113	0.1
187.03998	1.6
188.01143	0.4
188.04655	0.4
189.01913	70.2
190.02646	17.1
191.03470	13.4
192.03807	0.8
201.01863	0.6
202.02364	0.1
203.03477	7.4
204.03833	0.5
205.05026	0.2
211.03944	0.2
212.04713	0.1
213.01871	0.2
214.02655	0.1
215.03439	0.2
216.00607	9.5
217.01382	36.4
218.01917	3.8
219.02954	14.2
220.03345	1.0
221.51402	0.1
222.01685	0.3
223.02037	0.1
227.07117	0.2
229.01425	0.2
229.08650	0.3
231.02946	11.5
232.03526	1.8
233.04469	1.4
235.07625	0.1
237.05678	0.1
251.07162	0.2
253.04897	0.2
255.02956	0.2
255.06567	0.2
277.04929	0.2
279.06570	0.2
281.04489	1.0
282.05206	0.2
295.05942	0.2
297.07605	0.9
298.08026	0.1
305.04526	0.3
308.03137	0.2
323.05533	2.0
324.05972	0.1
341.06616	100.0
342.06937	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	339.2324
Annotation	Dimethisterone
Peak:m/z	Relative Intensity
50.64553	0.4
59.34162	0.5
63.24200	0.4
64.32382	0.4
71.06770	0.9
82.06738	0.4
97.69909	0.4
114.28761	0.4
134.63663	0.4
134.93091	0.4
163.11275	100.0
164.11600	8.1
270.63269	0.4
339.23242	93.0
340.23563	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	340.1034
Annotation	Unknow
Peak:m/z	Relative Intensity
54.18931	0.3
59.01382	5.1
61.98813	0.9
62.09923	0.3
64.60739	0.3
67.01910	0.3
70.51462	0.3
70.59955	0.3
71.01378	3.2
71.62187	0.3
71.62553	0.3
72.99294	0.5
73.02937	0.3
81.03438	0.3
81.83720	0.3
85.02934	0.5
89.02448	3.5
93.03477	0.6
96.96008	0.9
97.06541	0.4
101.02442	1.4
103.04250	0.8
104.05045	3.0
104.15069	0.3
106.06622	100.0
107.06952	4.1
109.02956	3.5
111.00848	0.4
111.08125	0.3
112.98817	0.5
113.02443	1.2
119.03517	1.6
119.04998	0.4
121.03023	0.3
123.04525	2.9
131.04594	0.4
131.13162	0.3
131.14124	0.3
133.02925	0.7
134.03732	0.5
135.04520	1.1
137.02420	0.5
145.01469	0.5
147.04486	1.0
150.05597	73.7
151.02893	0.4
151.04053	1.6
151.05942	3.8
158.89847	0.2
159.04488	0.7
161.02423	0.9
161.04578	0.4
164.07147	0.6
165.01939	0.4
167.07037	0.3
170.19495	0.3
172.22610	0.3
173.04581	0.4
174.01797	0.4
177.01904	4.6
179.03479	0.6
179.05577	1.7
189.01923	9.9
190.02676	2.5
191.03458	1.9
191.05540	0.6
194.04567	26.3
195.04802	1.4
202.27589	0.4
203.03435	1.1
216.00635	1.7
217.01389	5.2
218.02057	0.3
219.02953	1.8
231.02977	1.4
281.04385	0.5
297.07651	0.6
310.07996	0.5
323.05243	0.5
325.10242	0.4
337.54993	0.3
340.10220	5.9
341.06705	18.3
341.10770	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	339.2172
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	2.3
59.01380	12.9
61.14019	1.9
69.03466	2.3
69.27301	2.8
69.27708	16.5
81.03442	2.9
83.01389	1.6
83.04995	2.3
85.02944	2.0
89.46542	1.9
95.05014	3.8
96.95961	1.6
97.02922	4.4
97.06604	3.3
109.06567	3.3
111.08145	2.1
121.06590	2.4
123.04489	4.5
123.08123	5.5
125.09705	10.5
137.06064	2.1
137.09705	6.0
139.07626	3.6
149.06085	2.4
163.11319	10.7
165.09151	2.9
165.12868	2.2
179.10674	2.1
181.12338	2.4
185.11768	11.0
191.05626	2.8
191.14432	13.2
207.10184	8.9
225.11328	6.4
241.14345	3.8
245.19095	35.6
246.19386	3.1
271.17026	2.6
289.18085	100.0
290.18283	9.0
307.19159	38.0
308.19342	4.1
321.17267	3.6
321.20535	10.1
324.19321	7.5
339.17609	4.5
339.21707	77.5
340.22180	11.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.2173
Annotation	Plakorstatin 1
Peak:m/z	Relative Intensity
56.09953	3.4
57.03427	5.5
59.01371	18.2
71.01371	8.2
71.62231	3.7
74.11132	4.3
77.36172	2.8
80.01360	3.0
113.09684	4.5
123.04596	4.3
123.08165	10.8
125.09697	14.5
139.11246	6.8
149.09766	4.3
151.11288	6.5
153.09206	11.8
153.12602	3.8
155.10716	5.5
160.16435	3.8
163.11333	3.8
165.12869	4.1
167.10777	4.7
169.12286	4.0
183.01268	7.5
191.10760	7.1
193.12126	3.2
199.13359	8.9
211.09882	3.7
245.19069	33.6
263.20145	7.0
289.18085	99.7
290.18323	10.9
296.38028	3.3
307.19086	61.2
308.19354	10.1
321.20676	15.3
324.19394	55.7
325.19742	8.0
339.17368	5.4
339.21759	100.0
340.22025	12.8
348.74072	4.3
358.24442	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	339.2172
Annotation	Plakorstatin 1
Peak:m/z	Relative Intensity
51.50879	1.7
55.97812	1.6
57.03437	5.5
59.01374	12.2
69.41651	11.4
71.01394	1.9
73.15524	2.0
80.02692	2.4
95.05022	2.4
97.02950	3.9
98.19907	4.0
107.05007	1.9
121.06586	3.4
123.04515	8.2
123.08158	15.1
125.09708	6.8
137.06107	1.9
139.11237	12.6
142.02786	2.2
151.11275	6.5
152.08269	1.8
155.14429	3.1
167.10890	2.3
171.10262	14.2
177.01939	1.8
183.10277	3.1
199.13356	23.0
209.11732	2.1
213.11293	3.3
239.12808	2.8
241.14468	7.2
245.19051	14.3
246.19415	2.5
271.16971	3.2
289.18057	100.0
290.18420	14.1
307.19098	58.8
308.19550	5.4
321.20633	13.7
324.19287	10.5
339.17416	3.7
339.21722	73.3
340.21918	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	339.2173
Annotation	Plakorstatin 1
Peak:m/z	Relative Intensity
50.26583	4.3
51.74033	4.0
52.92959	3.5
57.56441	3.6
59.01377	20.9
61.98816	6.4
69.40437	32.1
71.01372	5.1
95.05023	6.6
104.19080	4.5
108.73166	4.9
123.04498	5.1
123.08166	7.5
125.09673	9.8
133.83821	3.9
135.08167	4.0
136.60689	4.1
137.09636	3.6
151.11221	4.8
153.09128	11.1
156.91743	4.1
163.11278	6.6
165.12897	7.6
167.10696	4.0
169.12376	8.0
183.01167	11.0
199.13393	14.1
208.00410	4.9
211.09831	5.6
245.19043	29.5
271.17014	5.2
289.18085	100.0
290.18344	5.5
307.19110	72.2
308.19629	6.9
312.62695	3.7
324.19357	56.2
325.19650	6.2
339.21814	94.0
339.25946	5.1
340.22083	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	339.1479
Annotation	Aurantiomide C
Peak:m/z	Relative Intensity
55.48095	0.7
59.01382	0.7
71.07524	1.6
72.63049	0.7
79.95730	1.3
93.80312	0.6
96.96004	100.0
132.76022	0.6
149.49557	0.8
197.08575	0.6
205.22778	0.7
213.18607	0.7
258.84641	0.8
259.19128	12.4
260.19434	1.1
268.84808	0.8
339.14767	70.2
340.15033	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	339.1808
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13670	0.8
59.01378	5.7
65.86234	1.1
72.99301	2.9
94.72984	1.0
97.06574	4.5
99.09050	1.1
119.05072	0.9
125.06073	17.7
125.09670	1.7
137.09650	1.1
139.07536	1.3
143.07129	69.8
144.07419	2.1
151.11272	15.0
155.10771	5.7
163.11208	1.0
169.12325	100.0
170.12657	4.0
171.10234	4.5
183.01195	1.8
190.86415	1.0
193.01639	1.5
193.79269	1.1
197.42738	1.0
213.11302	86.5
214.11603	5.2
217.10796	22.6
237.14967	1.7
321.20639	3.8
339.18143	12.9
339.21661	1.9
340.18332	1.9
344.60916	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	339.181
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	11.3
59.01384	9.9
59.16380	2.0
69.03452	3.3
70.26328	1.7
71.01379	3.7
71.05016	44.4
73.02947	2.7
80.60709	2.2
80.72214	1.9
81.03455	26.6
83.01366	2.4
83.05016	7.3
91.97968	2.2
93.03455	4.6
95.05028	22.4
96.95980	6.4
97.02944	2.6
97.06588	8.9
100.79182	1.9
108.02143	4.4
109.02962	5.9
109.06582	7.6
110.03752	12.2
111.04516	24.2
115.57245	1.7
121.06568	5.6
122.03722	4.4
123.04499	7.6
123.08156	26.7
125.06043	5.5
125.09713	71.1
126.10034	3.6
127.11282	4.9
133.06566	10.2
135.04378	2.0
135.08099	2.3
137.06062	11.2
139.07631	7.3
141.09125	2.4
149.06036	8.8
151.07643	45.7
167.07138	48.4
169.08655	2.1
171.10237	30.4
172.10652	2.2
173.06087	2.5
174.06807	2.8
178.06293	2.1
185.11963	3.7
187.09680	6.7
197.11752	5.9
199.09656	3.2
199.13339	4.0
201.11353	15.3
205.12306	4.0
209.11777	4.3
213.11284	15.5
215.12863	100.0
216.13246	5.6
237.11307	2.8
238.07578	1.8
247.13470	2.2
249.11232	18.1
250.12003	3.5
255.12302	2.3
259.16977	2.9
265.14450	19.1
277.18042	4.1
285.14914	46.6
286.15134	3.9
303.15988	93.2
304.16403	9.4
321.17017	48.6
322.17294	6.6
339.18106	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	339.0847
Annotation	Unknow
Peak:m/z	Relative Intensity
57.48779	7.5
57.73716	7.9
59.01375	83.3
69.41989	68.4
71.01382	45.3
72.99296	68.8
75.00860	22.8
79.95705	9.1
80.96480	9.0
88.95448	7.7
89.02439	58.3
92.69133	7.0
93.03436	13.3
96.96006	21.4
97.06571	28.2
99.00862	26.7
103.08804	7.9
107.05029	17.6
109.06570	10.6
111.08147	13.9
112.98769	21.5
117.01933	71.2
119.10450	8.3
121.02961	7.8
121.06552	19.7
123.08138	12.7
125.06063	16.3
133.02930	15.2
135.02968	20.0
135.04472	22.1
139.07654	27.1
142.99847	100.0
149.06065	23.9
149.86963	7.9
153.05553	42.0
161.02443	26.3
167.07089	62.9
171.06590	9.0
173.00905	60.9
173.04558	17.4
174.01680	66.4
181.08682	21.4
184.07828	7.9
189.01990	9.8
191.05592	17.2
193.05023	24.9
203.96976	8.0
209.11852	12.5
211.06108	13.8
225.07658	64.4
243.08951	9.5
271.08215	29.1
287.39557	7.7
303.10806	20.8
315.55719	7.8
339.04904	12.1
339.11206	19.2
339.15125	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	339.0718
Annotation	4-O- beta -D-glucosyl-daphnetin
Peak:m/z	Relative Intensity
53.89129	0.3
54.08827	0.4
59.01380	1.5
65.00326	1.2
65.03965	1.5
66.18726	0.3
67.01894	0.5
68.99818	0.5
71.01396	0.4
71.21918	0.3
71.22252	0.4
80.02635	0.4
91.01891	53.5
92.02225	1.7
98.10776	0.3
103.74043	0.3
107.01395	0.7
108.02161	1.4
109.02944	13.3
110.03279	0.4
120.83424	0.4
121.02931	1.1
123.04530	0.7
133.02965	1.4
135.00879	100.0
136.01154	4.0
137.02472	3.0
148.01677	0.4
149.02435	1.1
153.01932	61.3
154.02286	3.4
161.02399	1.8
173.18442	0.3
177.01959	1.1
189.01967	1.7
201.11267	0.3
279.05167	1.2
297.06281	1.2
300.86533	0.3
332.75067	0.3
339.07162	32.9
340.07523	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	337.2148
Annotation	Unknow
Peak:m/z	Relative Intensity
54.41473	13.2
58.12348	13.3
59.01374	100.0
71.00394	14.2
71.18054	14.9
71.18388	22.7
94.00326	14.1
111.04472	14.8
135.06715	14.1
241.10783	16.3
337.18509	21.5
337.23828	15.7
352.69049	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	339.0719
Annotation	Unknow
Peak:m/z	Relative Intensity
51.86473	0.6
59.01375	8.0
64.00236	0.7
67.01894	0.9
69.03455	60.7
70.03784	1.8
70.62718	2.3
71.01370	1.1
73.02928	1.0
75.44383	0.7
76.11984	0.7
79.01888	33.0
80.02211	1.2
81.03446	1.8
83.83026	0.6
85.02957	4.8
93.03466	1.2
95.01381	12.1
96.96020	7.3
97.02946	34.7
98.03297	1.3
100.95390	0.6
104.20172	0.6
105.03430	1.0
107.01385	29.7
108.01560	1.0
108.02198	14.4
109.02947	29.3
110.03270	1.7
113.02453	2.6
119.05010	1.1
121.02950	6.2
123.00884	13.0
123.04495	2.7
125.02442	31.0
126.02802	0.7
127.26566	0.6
127.36044	0.6
133.02937	3.4
134.03741	1.7
135.00883	2.2
135.04483	1.7
136.01677	3.0
137.02455	6.3
143.03528	1.0
145.02940	1.2
147.04517	1.3
149.02428	11.7
151.00368	15.3
151.04001	1.0
152.00793	0.8
153.01929	100.0
154.02271	2.9
155.07274	0.7
161.02434	2.2
163.04015	3.9
167.03503	2.1
167.07213	0.8
170.87079	0.7
173.04535	0.7
175.03949	1.2
177.01933	4.3
179.03510	1.0
189.02008	0.9
191.03473	1.5
195.03043	1.5
207.02988	0.9
219.03026	0.9
279.05075	27.0
279.08176	1.4
280.05548	2.0
297.06134	40.0
298.06436	3.8
339.07169	30.4
340.07477	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	337.2018
Annotation	Monacolin J acid
Peak:m/z	Relative Intensity
59.01378	30.8
61.98810	4.0
68.07703	3.7
69.03437	3.2
77.89796	4.3
83.05021	6.5
93.03468	3.7
93.44741	2.9
95.05022	8.2
95.42508	3.2
95.89552	3.3
96.96023	7.0
97.06566	8.0
99.04533	3.1
107.05024	37.2
109.06589	7.5
123.04547	16.5
123.08128	6.2
125.02435	7.2
125.06043	16.6
125.09713	29.6
135.08124	21.8
137.06000	7.1
153.09189	28.0
163.11308	8.0
165.12827	4.2
170.32765	3.2
176.08426	10.2
177.68732	3.0
178.35861	3.0
185.11787	27.8
189.12753	3.6
191.05766	4.0
191.10786	15.6
197.11787	6.3
207.10219	6.6
207.13611	3.2
217.12260	11.2
243.17505	39.3
261.18448	7.0
263.16464	3.5
267.12393	7.3
287.16537	36.3
288.16745	7.0
293.21033	6.0
305.17511	41.3
319.19098	100.0
319.22824	4.9
320.19492	12.9
322.17804	11.2
337.16504	6.9
337.20157	58.1
337.23654	3.9
338.20554	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	337.2018
Annotation	Monacolin J acid
Peak:m/z	Relative Intensity
57.03442	5.5
59.01373	39.7
59.18930	3.4
61.98844	4.3
71.61856	3.7
71.62326	4.7
81.03429	3.7
83.05026	9.1
87.00867	4.0
95.05022	7.9
96.96002	5.0
97.02954	4.2
97.06581	7.0
99.04501	3.7
107.05023	42.5
115.92158	4.0
119.05045	6.4
121.02904	4.3
123.04509	15.6
123.08161	5.1
125.06091	21.7
125.09745	23.1
135.08134	21.7
137.06067	15.6
147.04527	4.3
153.09203	28.3
163.11256	10.6
165.09076	4.0
171.99820	4.3
176.08368	8.9
185.11884	24.6
189.12852	6.4
191.05618	4.1
191.10759	20.5
207.10197	8.8
217.12312	10.7
243.17534	33.5
261.18570	4.4
267.12378	7.1
287.16522	35.2
288.16660	6.2
304.16623	4.6
305.17560	39.0
319.19110	100.0
319.22787	6.6
320.19424	15.0
322.17740	14.3
337.20193	53.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.0927
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03418	0.3
59.01369	1.2
67.01878	0.6
69.76778	1.8
69.77093	0.5
71.01363	0.5
77.68216	0.3
81.03462	0.5
85.02940	5.7
87.00878	2.0
93.03456	4.3
94.63016	0.4
98.19814	0.3
109.02895	0.6
111.04520	0.7
118.61366	0.3
119.05017	1.2
127.04030	1.7
145.02899	0.7
163.04027	1.7
167.18480	0.3
169.70078	0.3
171.03056	0.5
173.04541	1.6
191.05597	100.0
192.05927	4.6
194.27977	0.3
316.71616	0.3
337.09314	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	337.0927
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	0.9
58.80035	0.5
59.01383	2.6
59.98731	0.5
60.99283	1.0
61.22957	0.5
67.01885	5.9
69.03448	1.4
71.01379	3.0
81.03443	0.9
83.05022	1.0
85.02957	2.0
87.00876	1.7
93.03452	31.5
94.03788	1.0
98.19833	1.1
99.04544	0.6
109.02919	1.3
111.00866	1.3
111.04525	5.9
119.05023	17.2
120.05379	0.8
127.04000	0.8
134.76250	0.5
137.02441	5.0
152.10356	0.5
155.03488	4.4
163.04012	20.3
164.04356	1.2
173.04546	100.0
174.04918	3.2
179.05403	0.5
186.78664	0.5
186.86740	0.5
191.05608	23.4
192.05899	1.0
250.60854	0.5
316.05142	0.5
337.09290	5.8
338.09613	0.6
340.39490	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.0928
Annotation	Unknow
Peak:m/z	Relative Intensity
53.82755	0.2
59.01374	1.2
67.01889	0.6
69.03430	0.3
71.01372	0.7
83.05017	0.5
85.02941	8.0
86.32516	0.3
87.00884	1.8
88.01163	0.3
93.03448	4.9
99.04520	0.3
101.63638	0.3
109.02934	0.6
111.04514	1.0
113.03621	0.3
119.05017	1.3
127.04012	2.0
145.02914	0.7
163.03998	1.9
171.03040	0.4
173.04533	1.6
191.05595	100.0
192.05943	4.8
230.21773	0.3
273.36652	0.3
337.09213	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.0927
Annotation	4-p-Coumaroylquinic acid
Peak:m/z	Relative Intensity
52.61694	0.4
59.01374	8.2
60.99295	0.9
62.59873	0.4
67.01907	3.0
69.03457	0.6
69.29149	4.3
69.29485	0.9
71.01382	2.2
81.03439	0.9
83.05020	1.2
84.13760	0.4
85.02950	4.9
87.00877	5.2
93.03456	26.7
94.03777	0.9
99.04525	0.6
102.89249	0.5
109.02978	0.7
111.04518	4.0
119.05021	10.0
120.05327	0.4
127.04015	1.4
129.01848	0.5
137.02429	1.3
145.02943	1.5
155.03491	1.7
163.02704	0.8
163.04004	10.7
164.04349	0.8
173.04532	25.1
174.04872	1.1
191.05598	100.0
192.05942	5.7
277.37656	0.6
337.09274	5.0
338.09708	0.8
351.30597	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	336.1088
Annotation	Unknow
Peak:m/z	Relative Intensity
51.45425	0.7
54.89388	0.6
59.01377	13.1
60.69353	0.6
66.93005	0.6
69.31764	3.5
69.32172	2.0
71.01384	4.6
73.02956	1.4
79.54937	0.7
83.01415	0.8
85.02934	8.1
85.35683	0.6
87.00869	2.1
92.05043	5.8
92.05467	0.5
93.03445	5.1
96.96021	0.9
99.00893	0.9
101.02436	1.7
111.04494	1.1
113.02470	1.1
118.02985	1.2
119.05013	1.9
120.04534	1.9
127.03975	2.0
129.02011	0.7
131.03764	85.0
132.04558	77.4
133.04926	5.0
144.04533	5.8
145.02953	1.0
146.06064	1.8
157.05269	0.9
158.06119	4.7
161.04514	4.4
163.03952	2.0
173.04541	3.3
174.05589	11.3
175.05820	0.8
186.05568	3.3
186.79077	0.8
191.05606	100.0
276.08682	1.8
307.23477	0.6
331.60785	0.6
336.10916	0.9
337.09366	3.7
337.20224	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.0926
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03433	0.5
59.01375	18.1
60.99300	1.3
63.48171	0.4
67.01888	4.0
69.03455	0.8
70.93153	0.8
71.01366	1.7
81.03430	0.8
83.05003	1.2
85.02940	4.6
87.00868	6.1
93.03455	27.3
94.03799	1.4
99.04494	0.8
109.02939	1.0
111.04519	4.5
113.02514	0.5
119.05017	11.9
120.05400	0.5
127.04004	1.7
129.01936	0.7
135.04512	0.5
137.02440	1.0
141.12079	0.3
145.02940	1.1
149.04892	0.4
149.06000	0.5
155.03473	1.6
163.04004	10.0
164.04352	1.0
173.04532	28.6
174.04831	1.1
191.05594	100.0
192.05962	4.5
286.03708	0.4
337.09259	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	336.1088
Annotation	Unknow
Peak:m/z	Relative Intensity
51.45425	0.7
54.89388	0.6
59.01377	13.1
60.69353	0.6
66.93005	0.6
69.31764	3.5
69.32172	2.0
71.01384	4.6
73.02956	1.4
79.54937	0.7
83.01415	0.8
85.02934	8.1
85.35683	0.6
87.00869	2.1
92.05043	5.8
92.05467	0.5
93.03445	5.1
96.96021	0.9
99.00893	0.9
101.02436	1.7
111.04494	1.1
113.02470	1.1
118.02985	1.2
119.05013	1.9
120.04534	1.9
127.03975	2.0
129.02011	0.7
131.03764	85.0
132.04558	77.4
133.04926	5.0
144.04533	5.8
145.02953	1.0
146.06064	1.8
157.05269	0.9
158.06119	4.7
161.04514	4.4
163.03952	2.0
173.04541	3.3
174.05589	11.3
175.05820	0.8
186.05568	3.3
186.79077	0.8
191.05606	100.0
276.08682	1.8
307.23477	0.6
331.60785	0.6
336.10916	0.9
337.09366	3.7
337.20224	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	336.1085
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	26.9
61.98830	2.9
71.01359	2.5
71.61727	3.6
73.86652	2.0
80.50911	2.1
84.04550	8.8
85.02943	9.2
86.77189	1.9
87.00869	3.0
89.06850	1.9
93.03440	14.7
96.96017	10.1
100.04066	4.3
102.05646	2.5
102.75278	2.0
111.04500	2.7
114.05585	15.1
116.05017	2.0
119.05032	8.7
121.02973	2.2
128.03552	7.9
130.75725	2.1
131.03595	4.1
131.05022	4.3
132.04520	3.0
133.02986	4.2
133.06558	2.3
134.03716	4.4
135.04492	5.4
136.05362	2.2
145.02936	3.1
147.04546	6.5
148.05301	7.2
149.02425	2.3
149.04485	3.2
149.06036	4.9
160.01653	33.9
161.02408	14.4
162.02748	4.0
162.06848	2.9
163.04016	8.5
164.04843	2.3
173.04562	9.2
175.03990	39.5
175.07509	2.5
190.05064	5.1
191.05609	100.0
191.07304	6.1
193.05096	2.5
194.05476	2.2
200.07155	2.3
206.08250	7.9
207.06612	40.0
207.08461	2.9
216.06744	3.4
217.07463	2.3
218.08203	3.0
230.08177	3.7
232.09798	3.1
235.20667	2.2
241.82167	2.3
245.06912	4.1
246.11305	22.2
248.12885	4.6
260.09247	8.3
274.10901	5.7
276.08658	2.7
277.09543	10.5
292.11859	32.4
293.11975	3.4
308.97406	2.3
318.09753	41.4
319.10303	5.5
336.10947	93.1
337.11292	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	335.2224
Annotation	11-deoxy-PGE2
Peak:m/z	Relative Intensity
59.01369	0.3
69.35281	1.3
70.27401	0.1
93.03426	0.1
128.03540	0.3
135.04527	0.2
161.02400	0.4
163.96645	0.6
173.04514	0.2
178.02628	0.3
268.13681	0.1
276.40219	0.2
287.20221	0.4
289.21692	0.3
296.81635	0.2
315.19818	0.2
317.21075	0.4
335.22232	100.0
336.22565	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	335.2226
Annotation	11-deoxy-PGE2
Peak:m/z	Relative Intensity
52.34988	0.5
52.74070	0.5
59.01369	0.8
60.20924	0.5
66.50277	0.4
70.89852	1.4
73.46733	0.6
79.16708	0.5
96.96000	1.6
133.02969	0.6
136.89374	0.5
147.51117	0.5
151.09154	0.5
151.84460	0.5
155.45470	0.5
161.02458	0.9
163.27699	0.5
173.04437	0.7
184.00018	0.5
226.77840	0.5
238.11708	0.5
240.49336	0.6
279.12637	0.6
335.22250	100.0
336.22598	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	335.2223
Annotation	11-deoxy-PGE2
Peak:m/z	Relative Intensity
51.41943	0.2
59.01365	0.4
69.27193	0.6
69.27618	1.0
71.01371	0.2
72.99312	0.2
85.02942	0.2
96.96010	1.7
133.02936	0.4
134.03740	0.7
135.04491	0.4
147.48106	0.2
154.64413	0.2
161.02449	0.6
165.06961	0.2
173.04514	0.5
178.02640	0.6
179.03284	0.2
184.52411	0.2
193.06583	0.7
207.04826	0.2
209.06104	0.3
211.07622	0.3
237.05524	2.7
238.05887	0.4
255.06590	0.6
305.21231	0.3
317.01273	1.1
335.22244	100.0
336.22592	12.6
353.68759	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.2225
Annotation	11-deoxy-PGE2
Peak:m/z	Relative Intensity
51.55407	0.2
53.42351	0.2
63.57410	0.2
71.07195	0.3
94.18166	0.2
98.53787	0.2
335.22253	100.0
336.22580	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	335.2225
Annotation	Unknow
Peak:m/z	Relative Intensity
68.72910	0.2
70.76055	0.4
70.76391	0.5
71.35609	0.2
96.96017	0.4
161.02380	0.4
194.71400	0.2
225.04079	0.2
271.20627	2.0
281.46518	0.3
287.20142	0.5
289.21674	1.2
291.23303	0.9
305.17435	0.3
305.21185	19.5
306.21509	2.2
335.22238	100.0
336.22580	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	335.22
Annotation	Unknow
Peak:m/z	Relative Intensity
58.01565	3.0
59.01376	60.8
60.91713	3.0
66.24896	2.9
69.02885	3.5
69.45551	19.0
69.45954	5.2
75.08099	3.4
76.03499	2.9
96.96006	5.0
99.00640	16.4
102.46179	3.0
104.39487	3.9
104.86579	3.2
253.21681	100.0
254.21872	7.9
261.57236	3.9
335.22034	85.4
336.22348	10.7
351.06241	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	335.2226
Annotation	11-deoxy-PGE2
Peak:m/z	Relative Intensity
59.01361	1.4
68.02524	2.2
71.18947	0.9
77.78996	0.4
87.04502	0.6
92.49691	0.4
96.95989	1.5
103.12236	0.6
165.01126	0.6
248.05986	5.3
319.75116	0.5
335.22241	100.0
336.11176	0.9
336.22568	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	335.2225
Annotation	Unknow
Peak:m/z	Relative Intensity
51.01261	0.4
55.11176	0.4
59.01358	0.7
61.98830	0.4
65.84695	0.4
69.70049	0.7
69.70452	1.9
70.31358	0.4
71.12369	0.4
74.60832	0.4
76.97436	0.5
94.95968	0.4
96.95988	1.0
135.04529	0.4
160.70096	0.4
161.02365	0.8
205.10641	0.7
246.88518	0.4
287.20032	0.7
289.21701	0.7
291.23282	1.1
305.21173	2.1
324.47556	0.4
335.22250	100.0
336.22571	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	335.077
Annotation	5-O-Caffeoylshikimic acid
Peak:m/z	Relative Intensity
50.06040	0.5
52.22696	0.6
53.64632	0.5
56.70689	0.5
59.01376	7.7
59.04271	0.5
63.70578	0.7
71.01360	1.4
71.61392	0.5
71.61829	0.6
73.02940	1.8
74.49767	0.5
81.03462	0.9
83.05011	2.3
85.02940	1.4
89.02363	0.6
93.03443	13.7
96.96011	0.9
99.00925	0.6
101.02454	1.3
107.05042	1.5
109.02956	1.4
111.04515	4.6
117.03376	0.7
125.63387	0.5
131.03740	2.7
132.04610	1.0
133.02954	7.0
134.03767	4.3
135.04514	100.0
136.04829	4.7
137.02446	5.5
155.03520	2.3
158.06082	1.0
161.02431	25.9
162.02800	1.8
163.94508	0.6
173.04514	3.3
179.03481	90.8
180.03798	4.3
212.24049	0.6
273.12488	0.9
276.08789	1.0
291.16006	1.1
293.16183	0.9
312.21927	0.6
335.07703	33.3
335.18753	2.1
336.08038	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	333.2069
Annotation	13,14-dihydro-15-keto-PGA2
Peak:m/z	Relative Intensity
56.11734	0.3
56.51329	0.3
59.01363	0.5
61.98826	0.4
75.07965	0.3
80.67062	0.3
89.62737	0.3
92.95673	0.3
113.84281	0.3
166.79958	0.3
193.60815	0.4
210.51001	0.3
260.07990	0.3
297.83124	0.4
333.20679	100.0
334.20999	12.1
359.44507	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.207
Annotation	13,14-dihydro-15-keto-PGA2
Peak:m/z	Relative Intensity
56.84884	0.2
59.01374	0.3
94.62011	0.2
96.96020	0.4
98.19875	0.5
156.61739	0.3
191.05457	0.3
229.17751	0.3
242.93176	0.3
269.18997	0.4
287.20157	2.1
289.21744	1.1
333.20694	100.0
334.21017	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	334.2233
Annotation	Unknow
Peak:m/z	Relative Intensity
53.14970	2.0
61.98827	100.0
62.76889	2.3
71.18681	3.6
84.27794	2.2
130.03630	2.1
136.90169	2.2
203.71877	2.0
281.34314	2.0
335.22473	2.5
354.68460	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	335.0771
Annotation	5-O-Caffeoylshikimic acid
Peak:m/z	Relative Intensity
58.17228	0.9
59.01369	4.7
65.03931	1.4
70.36344	1.8
71.01357	2.4
73.02940	2.9
81.03434	1.2
83.05009	4.4
93.03449	27.6
109.02990	1.1
111.04505	12.4
116.05091	1.5
123.04478	0.9
132.02156	1.2
133.02956	37.8
133.06526	1.0
134.03683	2.9
135.04524	69.4
136.04871	2.5
137.02429	10.9
155.03493	6.4
161.02438	100.0
162.02814	5.9
173.04593	4.5
173.08182	1.2
178.02663	1.7
179.03491	62.5
180.03847	2.7
248.85402	0.9
268.81442	1.0
335.07718	49.9
336.07910	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	333.1917
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	100.0
60.01713	1.1
60.04918	0.4
66.63965	0.4
69.25906	4.0
71.01382	3.5
73.02951	1.9
83.01392	1.2
85.02947	2.6
89.02458	0.4
95.01374	0.6
96.96033	1.2
99.00870	0.7
101.02441	5.6
113.02431	1.8
133.02948	0.7
161.04610	1.7
166.06264	0.3
199.97705	0.4
202.66934	0.3
291.18112	6.8
291.21100	0.6
292.18600	0.4
303.87799	0.4
333.13959	1.3
333.20721	4.5
334.21179	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.155
Annotation	Unknow
Peak:m/z	Relative Intensity
50.47717	0.5
59.01377	39.6
71.01381	1.3
71.62173	0.9
83.05008	1.3
89.02425	1.4
91.03995	1.3
96.95989	2.1
101.02439	0.7
106.24381	0.6
109.02913	0.6
111.08122	0.7
113.02460	0.7
114.55437	0.5
120.54051	0.6
125.09673	0.7
132.02205	0.6
133.02942	1.4
135.04475	0.6
137.09711	11.2
138.09998	0.7
153.09232	2.0
155.10771	100.0
156.11096	5.2
158.68570	0.7
160.75786	0.6
161.04521	0.7
164.06924	0.6
171.10260	30.1
172.10561	1.5
172.70949	0.6
175.30144	0.5
181.08687	4.7
191.05553	0.9
199.09738	22.1
200.10132	1.2
215.12614	0.6
217.10786	39.1
218.11159	2.2
241.10800	0.8
259.11737	1.1
268.25793	0.5
273.13406	24.0
274.13733	1.7
288.18661	0.6
291.14474	86.7
292.14825	6.0
332.56503	0.6
333.15576	39.1
334.15872	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	333.1089
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13404	0.4
53.09506	0.4
71.61385	0.7
78.03473	1.2
79.95737	0.5
80.05077	0.8
92.05056	1.9
94.02947	0.4
94.06622	3.5
95.89301	0.4
96.95977	1.0
104.05061	3.0
105.03458	1.9
106.06612	13.2
107.03774	1.0
108.04562	2.1
120.04543	6.0
121.05312	1.2
122.02476	0.5
122.06111	14.1
123.03242	2.3
123.06409	0.6
124.07615	1.2
131.03746	1.3
132.04553	7.3
132.05540	0.4
135.03255	0.7
138.05600	24.6
139.05962	1.3
140.07245	0.6
148.04001	0.8
150.05562	2.8
174.12862	0.5
189.07944	1.1
212.09419	0.4
213.06689	0.9
214.07349	0.4
215.11877	1.2
217.07355	2.3
228.08888	0.5
229.09808	0.7
231.09012	0.9
231.11340	1.0
241.09810	2.8
242.10077	0.4
243.11348	2.1
253.09836	0.5
259.10837	1.1
271.10904	0.6
289.11917	100.0
290.12262	9.5
301.88858	0.5
333.10791	9.4
334.11200	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.1089
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	0.9
63.09426	0.5
67.18202	0.5
78.03489	0.7
80.05034	0.6
83.08359	0.5
88.04012	0.9
91.29726	0.5
92.05042	2.7
93.03407	0.6
94.06614	5.2
96.96014	1.5
98.19834	1.3
104.05064	2.4
105.03449	3.0
106.06616	12.0
107.06958	0.6
108.04531	1.2
120.04555	6.4
121.05325	1.5
122.06117	14.1
123.03234	1.7
123.06395	1.0
131.03763	1.0
132.04558	7.6
135.03275	0.5
136.04089	0.6
137.02357	0.6
138.05594	21.8
139.03976	0.7
139.05898	1.0
148.04056	1.1
150.05600	2.3
152.07071	0.7
159.06819	0.8
161.83153	0.5
173.08392	0.5
174.12885	1.0
184.11414	0.6
188.07066	0.8
189.07916	1.1
191.05571	0.9
202.08958	0.7
202.12126	0.5
203.09338	0.6
204.43634	0.6
211.98055	0.6
213.06760	0.6
215.11870	0.9
217.07413	1.7
231.09099	0.7
234.57050	0.7
241.09764	3.1
243.11378	2.0
244.11790	0.6
271.10895	1.2
289.11917	100.0
290.12231	9.0
333.10889	10.7
333.14993	0.5
334.11096	1.1
347.99731	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.0226
Annotation	Unknow
Peak:m/z	Relative Intensity
54.57139	0.5
61.98829	1.3
62.73594	0.6
70.14716	1.6
70.15131	1.3
71.01378	34.8
71.40816	0.5
75.05506	0.5
78.95906	2.4
87.00866	0.8
96.96980	0.7
98.20464	0.8
103.04018	4.6
108.90248	0.7
115.00365	100.0
116.00717	3.8
147.02988	98.9
148.03302	3.3
152.99579	2.9
158.99689	0.6
190.26340	0.5
191.05521	0.7
202.98656	1.0
227.20438	0.5
241.01253	1.0
263.24051	0.7
333.02039	1.0
333.05936	4.1
333.09912	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	331.1032
Annotation	Leonuriside A
Peak:m/z	Relative Intensity
56.33765	0.4
57.03452	0.5
59.01376	1.7
61.98804	0.4
64.32203	0.4
69.33268	3.6
71.01375	2.1
72.36416	0.3
73.04188	0.3
78.95892	0.8
82.00664	0.4
84.00918	0.6
85.02929	2.6
95.01379	0.4
96.95990	0.5
99.00915	0.5
101.02453	1.2
104.10518	0.4
109.02992	0.4
110.00089	7.4
113.02458	3.1
123.00920	0.8
124.01635	1.1
125.02446	6.1
137.02422	0.8
137.99580	8.1
138.03265	0.6
139.00389	2.2
140.01147	0.9
151.00383	0.9
152.01134	3.3
153.01926	100.0
154.02409	5.3
155.03491	2.7
160.82487	0.3
161.04570	1.2
166.02682	0.8
167.03476	11.9
168.04262	55.7
168.26448	0.3
169.01408	0.6
169.05037	8.8
179.03485	0.7
191.03479	1.5
193.04990	0.4
196.03743	0.4
209.04546	1.0
211.05908	0.9
221.04407	0.4
285.95453	0.4
331.06546	1.1
331.10284	5.2
331.14655	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.191
Annotation	3,10-Dihydroxy-5,11-dielementhadiene-4,9-dione
Peak:m/z	Relative Intensity
56.46469	0.2
57.03439	0.4
58.00591	1.5
59.01373	1.9
61.98816	0.3
62.55883	0.2
66.30278	0.2
69.03448	2.0
69.93913	0.9
69.94324	0.5
71.01380	1.4
72.99295	0.3
73.02927	1.5
81.03472	0.3
85.02929	0.5
86.00095	0.4
87.00844	0.5
88.01666	0.3
93.03464	0.6
97.02948	0.4
109.02912	0.3
113.06084	0.3
133.02905	0.5
135.04515	0.5
173.04546	0.5
176.03986	0.5
179.03484	0.3
191.05600	1.0
229.12291	0.5
243.17526	0.3
255.13737	0.3
261.12604	0.3
267.17508	0.3
269.15479	1.1
271.16992	4.6
272.17371	0.8
279.13452	0.3
281.15421	0.3
283.17004	7.1
284.17374	0.6
287.16568	0.6
291.19626	0.4
293.15515	0.2
295.16919	0.4
299.16510	6.3
300.16879	0.9
301.18051	12.6
302.18417	1.5
303.15930	0.3
303.19473	0.3
309.20786	0.5
311.16498	17.9
312.16827	1.9
313.14655	0.5
313.18036	0.4
329.17554	3.8
330.17883	0.6
331.19110	100.0
332.19446	12.6
343.15189	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.0667
Annotation	1-O-Galloyl-beta-D-glucose
Peak:m/z	Relative Intensity
53.35145	0.5
55.38560	0.5
56.16275	0.6
57.66177	0.5
59.01367	0.9
61.22856	0.5
69.03444	2.5
71.01363	0.6
75.33977	0.6
75.60096	0.6
79.01900	1.2
81.03480	0.7
83.01371	1.0
95.01379	1.2
96.95999	0.6
97.02943	2.9
101.02455	0.7
107.01388	1.6
108.02217	0.8
109.02966	0.7
111.58817	0.5
113.02432	0.8
123.00880	4.8
124.01659	13.0
125.02442	57.4
126.02779	2.0
137.02441	1.0
149.99580	26.2
151.00285	2.3
153.01903	2.3
161.04541	0.6
167.03458	1.1
168.00632	57.9
169.01389	5.3
193.01338	0.8
211.02301	0.6
275.08722	0.8
313.05649	6.1
331.06674	100.0
332.07034	7.5
332.10648	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.124
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	0.8
59.01376	100.0
60.01717	1.2
61.98826	0.9
70.08406	1.7
70.08821	0.9
71.01366	3.6
71.76236	0.4
73.02946	1.8
79.95740	0.6
83.01391	1.1
85.02962	1.6
93.03473	0.6
96.96017	0.7
98.20628	0.6
99.00911	0.7
101.02452	3.0
103.71423	0.5
104.03555	0.6
104.10638	0.5
111.00879	0.5
113.02477	1.7
119.05038	1.4
123.04517	4.0
125.02444	1.0
133.02982	0.5
135.04556	0.6
142.06624	0.6
159.03094	0.6
161.02377	0.5
161.04544	3.2
163.04059	2.0
167.03499	11.2
173.04529	0.6
191.03517	2.5
191.05617	1.3
209.04601	0.8
255.14751	0.5
269.10294	5.5
291.08731	1.0
329.11667	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	329.1601
Annotation	Schizonepetoside B
Peak:m/z	Relative Intensity
50.08676	0.4
55.01875	1.8
57.03443	4.9
59.01377	5.1
67.01862	0.6
68.99816	0.7
69.03454	0.5
71.01379	4.7
72.99310	2.0
73.02933	0.8
75.00868	37.2
76.01222	0.4
77.09091	0.4
79.05652	0.4
83.01385	1.4
85.02949	28.9
86.03283	0.5
87.00866	1.5
88.01708	0.6
89.02447	0.5
95.01393	3.5
97.02951	0.8
99.00869	1.6
112.01650	1.1
113.02446	10.2
115.00343	0.7
117.01913	0.7
129.01932	1.6
139.35388	0.4
153.12834	1.7
157.01393	1.1
161.02347	0.6
175.02356	0.5
191.05679	0.5
197.11827	0.6
229.75697	0.5
247.50504	0.4
248.07121	0.7
269.14005	1.5
287.18701	0.5
288.60367	0.9
311.15021	2.1
329.16025	100.0
330.16403	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	329.2331
Annotation	9,10,13-TriHOME
Peak:m/z	Relative Intensity
53.07058	0.5
54.82456	0.6
55.07614	0.5
57.03442	1.1
59.01387	0.8
60.42105	0.6
71.06295	0.6
71.07040	1.2
97.06612	0.8
99.08150	6.7
116.54810	0.6
125.09700	1.0
127.11298	5.9
137.09705	0.9
139.11273	10.6
155.10744	0.8
155.14343	0.6
157.12323	1.2
167.14410	1.0
171.10269	22.0
172.10568	1.1
183.13879	3.8
193.12326	1.2
209.11902	0.8
211.13370	19.2
212.13611	1.1
229.14421	11.0
230.14644	1.2
279.39648	0.6
293.21170	1.0
311.22208	1.2
329.23309	100.0
330.23639	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	329.124
Annotation	Unknow
Peak:m/z	Relative Intensity
53.09207	0.8
57.02806	0.7
58.37590	0.7
59.01376	100.0
60.01701	0.8
61.32321	0.7
66.05451	0.7
68.34521	0.8
69.37449	2.1
69.37876	4.7
71.01380	3.6
73.02934	1.4
85.02949	2.5
93.03461	1.2
96.96005	14.1
99.00887	1.0
101.02443	3.5
104.76984	0.7
113.02432	1.6
114.01946	0.8
119.30231	0.9
139.03928	0.7
161.04555	2.9
165.05530	0.8
167.03474	1.0
173.04565	1.9
184.01988	1.7
185.02330	2.0
191.05589	1.1
200.04681	1.2
206.18959	0.8
227.03230	0.7
252.71500	0.8
269.10300	4.9
328.59485	1.2
329.03070	1.4
329.09064	18.4
329.12692	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.1084
Annotation	Unknow
Peak:m/z	Relative Intensity
50.91014	5.1
59.01369	7.1
61.98826	36.6
65.08309	4.9
68.77239	5.5
69.29979	52.9
71.01375	46.8
80.39854	5.0
81.19050	5.6
85.02926	15.2
87.00860	20.3
90.27276	5.4
93.03466	7.0
101.02417	6.1
108.02195	15.0
113.02441	5.6
115.00371	100.0
116.00757	5.4
121.02940	8.3
122.03742	91.8
123.04524	42.0
125.02435	49.5
134.04703	14.7
135.04425	13.1
137.05952	6.4
147.02985	88.4
149.02423	9.7
159.04608	5.7
161.04561	6.4
165.05539	15.1
166.02673	13.0
167.03459	29.3
167.61179	5.4
177.05504	27.6
181.05046	7.1
191.05554	76.4
192.05940	58.5
221.04543	7.2
240.07436	8.7
313.67386	6.2
329.08786	44.9
330.09140	7.0
341.68811	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	329.0876
Annotation	1-O-Vanilloyl-beta-D-glucose
Peak:m/z	Relative Intensity
53.43898	0.3
57.03438	0.8
59.01377	35.9
60.01688	0.5
65.00337	0.4
69.03429	0.4
69.48003	1.9
69.48412	0.8
71.01389	2.2
73.02940	1.0
81.03456	4.3
83.01369	2.5
85.02938	1.2
93.03435	0.8
95.01409	0.6
95.05019	1.1
96.96013	0.5
97.02953	0.8
99.04560	0.5
101.02458	0.8
104.03523	0.5
109.02930	0.7
113.02438	0.9
119.05035	0.5
121.02973	0.7
123.04519	35.9
124.04846	1.4
125.02452	4.4
131.01372	0.4
135.04503	0.9
137.02443	1.8
139.04027	0.8
143.03551	0.4
149.02408	1.1
151.00363	1.4
151.04016	1.2
161.04581	1.6
163.03979	1.6
166.02727	0.5
167.03484	100.0
168.03842	4.0
175.00339	1.1
179.03450	1.3
180.04240	0.5
181.05045	2.8
191.03493	25.0
192.03900	0.9
192.06554	1.0
207.08774	1.2
209.04518	9.5
210.04901	0.7
221.04533	2.8
233.04527	0.5
249.12999	0.3
269.06738	0.4
269.10233	1.8
285.81165	0.4
329.08630	6.0
330.18274	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.2902
Annotation	20-hydroxyicosanoic acid
Peak:m/z	Relative Intensity
59.01375	100.0
60.01699	1.0
68.17565	1.2
69.88351	3.1
69.88747	2.3
74.00813	1.3
82.90768	1.2
86.44933	1.1
86.65015	1.0
98.19957	1.7
109.09752	1.0
153.07121	1.0
246.65448	1.4
259.72253	1.1
273.33499	1.3
322.29871	1.2
327.18213	3.4
327.28995	88.0
328.29349	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	328.045
Annotation	cAMP
Peak:m/z	Relative Intensity
53.01412	0.2
57.82437	0.2
59.01362	0.4
60.09468	0.2
61.98821	0.3
70.43567	0.3
71.01369	0.2
78.95880	0.2
82.64404	0.1
85.02969	0.2
89.01745	0.1
92.02544	0.8
98.20526	0.2
105.74718	0.2
107.03625	4.5
122.03627	0.3
134.04716	100.0
135.05177	2.6
165.04131	0.5
166.04428	0.5
177.05504	0.2
191.05621	1.3
192.99008	0.3
207.05182	0.2
208.05824	0.2
221.04675	0.2
228.04913	0.2
328.04471	3.4
328.09509	1.1
329.05002	0.2
329.09320	0.2
354.81165	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	329.0875
Annotation	Phaseoloidin
Peak:m/z	Relative Intensity
54.19580	0.9
59.01374	6.2
63.42063	0.9
71.01375	1.7
71.60808	1.7
72.99279	0.9
78.95880	1.4
81.03424	1.5
85.02950	1.7
96.96004	0.9
97.02939	1.1
103.25416	0.9
105.13287	0.7
108.02166	52.6
109.02434	1.0
111.00855	0.9
112.13135	0.8
121.02935	1.4
123.00890	1.7
123.04517	32.3
124.01643	1.2
124.04873	1.3
125.02445	15.1
135.04500	0.8
139.00394	1.9
149.02377	1.1
152.01138	38.1
153.01505	2.3
166.00851	0.8
167.03474	100.0
168.03812	4.6
171.00685	1.1
182.47704	0.8
191.05544	2.2
192.99698	1.1
197.09280	0.8
209.04507	1.0
224.68930	0.9
329.08771	7.8
352.57248	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.2174
Annotation	Corchorifatty acid F
Peak:m/z	Relative Intensity
50.33517	1.9
53.48545	1.8
56.66505	1.6
56.87811	1.6
57.03432	4.1
59.01368	5.7
61.61889	1.7
69.03459	2.8
71.01371	3.2
77.01247	1.7
85.02947	4.7
97.06550	2.3
113.09698	3.8
115.07639	14.6
125.09718	9.7
127.11265	3.0
129.09177	3.0
137.09659	2.1
143.10741	7.3
153.12872	3.9
155.10771	4.1
155.14444	2.5
155.92064	2.1
165.12836	3.5
171.10269	18.4
183.13869	20.7
185.11757	2.7
197.11819	14.2
199.13434	6.2
201.11307	23.2
202.11586	2.2
209.11749	4.1
211.13445	11.2
213.11290	4.0
215.12943	8.9
221.11723	2.7
227.12868	23.5
229.14423	51.5
230.14873	2.4
234.55354	2.0
265.21686	100.0
266.22086	8.5
283.22794	42.9
284.23114	3.3
291.19641	6.0
299.22205	2.3
309.20789	21.7
310.20700	2.6
327.16010	4.4
327.21735	97.4
328.22061	12.0
338.28674	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	327.2174
Annotation	2,3-Dinor-8-iso prostaglandin F1alpha
Peak:m/z	Relative Intensity
57.03433	22.8
59.01371	14.2
69.03418	10.9
70.35644	30.3
78.58524	7.5
80.02644	10.0
83.01374	24.4
83.05012	24.2
97.06606	23.6
105.03880	7.8
123.04514	10.5
123.08179	12.3
125.06111	8.0
125.09729	46.7
137.09666	9.9
139.11263	30.4
163.11226	33.7
165.12834	47.5
167.10738	61.4
171.10207	20.5
181.12317	20.6
191.10756	9.4
193.15929	14.0
209.11809	100.0
216.20958	9.9
247.20644	27.0
254.10977	7.7
265.21625	9.7
291.19601	68.4
292.19928	11.0
309.20480	9.8
327.21643	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	327.2174
Annotation	Corchorifatty acid F
Peak:m/z	Relative Intensity
55.01886	0.6
57.03437	3.1
59.01381	0.8
60.54010	0.5
69.03450	3.1
69.62009	3.4
71.01361	1.0
83.05035	1.1
85.02946	10.9
92.27969	0.7
95.05019	0.7
97.02952	1.4
97.06567	3.5
98.19882	1.1
98.85733	0.6
125.09719	1.3
127.11237	1.2
137.09711	3.2
155.10741	0.9
161.16141	0.5
167.14331	0.6
171.10252	21.3
172.10547	1.3
177.12775	0.6
183.13870	2.8
185.11819	1.1
193.12311	1.3
197.11823	0.9
201.11235	1.0
203.10840	0.7
209.11827	1.5
211.13364	17.1
221.11818	3.0
229.14418	8.6
236.54124	0.6
239.12830	1.7
241.60028	0.6
289.86600	0.6
291.19568	2.8
309.20776	1.1
327.21729	100.0
328.22104	9.3
346.08490	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.2173
Annotation	2,3-Dinor-8-iso prostaglandin F1alpha
Peak:m/z	Relative Intensity
54.69392	8.8
57.03440	63.1
59.01395	45.1
68.60540	7.8
69.03465	13.0
70.52258	22.5
71.01374	35.3
80.02683	24.0
83.05027	21.3
93.03490	12.0
95.05018	24.5
97.06586	24.3
99.08162	19.0
108.21997	8.2
111.08144	20.2
113.09720	27.8
123.08148	14.2
125.09699	22.4
125.69597	8.5
127.11300	29.6
137.09708	13.8
139.11252	22.1
141.09241	10.2
141.53729	8.8
149.09712	12.1
151.11278	63.7
153.09196	10.8
153.12862	23.3
155.10767	18.2
155.17372	8.2
163.11296	24.8
165.12856	52.4
167.10844	15.4
169.12289	13.3
171.10246	73.5
179.10745	28.2
181.12375	100.0
185.11758	20.3
191.10698	24.8
197.11797	40.3
201.11388	12.5
206.85988	9.3
209.11815	77.8
210.12134	13.8
211.13358	24.7
247.20549	18.4
263.20090	21.9
281.21140	21.4
291.19611	32.3
309.20361	14.2
327.21686	56.8
327.25320	19.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.2174
Annotation	2,3-Dinor-8-iso prostaglandin F1alpha
Peak:m/z	Relative Intensity
52.72928	0.7
53.51060	0.6
57.03445	8.7
58.00579	1.8
59.01377	0.8
69.01135	0.6
71.38783	1.3
73.02902	0.7
87.04537	0.8
97.06590	1.0
113.09722	20.6
123.08145	1.3
125.09729	9.0
127.11286	11.6
137.09714	2.7
137.93489	0.8
138.78929	0.6
139.11284	1.9
141.09189	2.7
151.11266	2.9
153.09186	2.0
155.10811	4.7
157.12328	1.3
165.09184	4.6
167.10789	1.1
169.12317	0.9
171.10272	7.7
183.10312	1.1
195.10251	3.4
199.09805	4.4
201.11305	78.3
202.11720	3.6
213.11314	46.1
213.68231	0.7
214.11668	2.7
247.20656	0.8
291.19611	6.8
309.20700	15.1
310.21066	1.8
327.21735	100.0
328.22073	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	327.2173
Annotation	Corchorifatty acid F
Peak:m/z	Relative Intensity
50.80647	0.8
57.03449	6.0
58.00590	1.5
59.01374	2.9
61.98838	1.0
64.30511	1.0
69.03450	2.1
71.01380	1.2
73.02952	1.2
83.05000	1.7
85.02950	1.9
86.91331	1.1
95.05031	1.7
97.06577	13.9
108.22324	0.8
113.09695	1.9
115.07638	8.8
123.08159	7.7
125.09713	100.0
126.10057	3.9
127.11264	8.9
127.16538	0.9
137.09769	1.2
139.11285	3.1
139.17923	0.9
143.10762	97.7
144.11093	3.3
153.12849	5.4
155.10777	6.2
157.12328	7.3
165.09134	2.1
169.08684	3.7
171.10251	17.1
183.10237	2.4
183.13858	1.7
185.11800	1.0
187.09746	11.2
197.11807	8.1
199.09709	1.9
199.13374	4.5
201.11304	82.6
202.11662	3.1
209.11943	1.4
211.13348	2.7
213.11267	2.1
215.12889	3.2
227.12848	14.5
229.14423	6.7
240.13318	1.0
265.21692	8.4
269.21024	1.5
281.21246	0.9
291.19604	3.6
299.22235	14.5
300.22482	0.9
309.20663	26.4
310.21066	1.9
327.21741	56.3
328.22177	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	327.2174
Annotation	Unknow
Peak:m/z	Relative Intensity
52.54934	0.5
55.01874	0.6
57.03445	4.1
59.01364	1.4
69.03448	3.7
69.62022	3.1
71.01378	1.3
71.31848	0.6
85.02945	14.6
97.02948	2.7
97.06586	2.9
99.18491	0.6
100.52188	0.6
108.23325	0.6
119.08639	1.0
125.09717	1.0
127.11288	2.2
137.09714	4.3
153.12881	0.5
153.60799	0.6
155.10748	1.1
157.19341	0.5
165.12888	0.7
171.10257	32.0
172.10564	1.7
183.13837	4.1
185.11758	0.6
193.12323	1.0
201.11307	1.6
211.13376	11.7
212.13800	0.7
221.11748	2.1
229.14429	6.7
239.12918	1.2
291.19650	2.2
309.20575	0.9
327.21732	100.0
328.22076	10.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.1112
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03424	0.5
59.01377	23.4
69.52195	4.1
71.01369	5.2
72.99316	0.8
73.02950	0.9
75.00870	0.6
79.17514	0.5
79.95743	1.6
83.01357	0.9
85.02934	1.5
87.00841	0.8
89.02425	3.2
93.03476	0.7
96.96008	100.0
97.95943	0.6
98.19891	1.2
99.00896	0.6
101.02438	3.8
101.46857	0.5
113.02445	1.9
119.03519	1.9
119.05004	1.3
121.02982	0.5
123.04514	8.7
129.09233	2.5
133.02919	0.6
135.04495	1.7
143.06970	0.7
147.04510	16.3
165.04047	2.4
165.05557	2.7
169.12375	0.7
173.04636	0.6
184.01976	0.7
187.13374	4.2
191.05534	1.7
199.04305	1.0
217.23270	0.5
222.62897	0.5
229.14450	0.6
247.15504	5.5
248.15822	0.9
255.08868	0.6
265.11172	8.5
267.08884	4.3
285.09857	3.3
289.06909	0.6
311.07825	2.1
311.11319	0.5
312.08505	2.6
327.11093	77.0
328.11417	7.7
332.13675	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.0936
Annotation	Unknow
Peak:m/z	Relative Intensity
53.53759	0.8
59.01374	3.2
70.88030	2.1
71.01379	15.7
72.80406	0.9
72.96368	0.8
72.99303	4.6
74.92262	0.7
75.00858	1.6
78.95907	1.0
79.01759	0.9
81.03370	0.9
84.00885	1.0
85.02935	1.6
87.00871	10.0
89.02431	1.6
92.25726	0.9
94.04111	4.4
96.05664	1.6
96.95998	1.3
101.02402	0.9
105.01921	4.1
107.03632	3.3
107.51344	0.7
111.56950	1.0
115.00372	4.0
122.02752	1.7
122.03599	23.8
129.01927	1.8
134.04715	90.4
135.04520	9.0
136.94978	1.0
140.04654	4.2
147.02983	14.1
150.01804	2.3
159.15512	0.8
164.03380	3.9
165.04138	71.7
166.04530	2.6
179.03471	3.9
179.05722	3.1
191.05597	6.4
192.02853	2.2
207.05200	21.0
327.09424	100.0
328.04562	2.6
328.09668	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	327.0718
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	1.5
59.12528	0.5
59.81158	0.5
69.66524	1.9
69.66942	1.5
71.01379	2.0
72.99297	0.7
75.00868	4.7
85.02950	0.7
87.00871	16.3
89.02440	0.7
96.96024	1.7
99.00865	2.7
101.02456	1.1
105.01929	17.5
107.05025	0.9
117.01956	0.9
117.03478	0.7
122.03875	0.6
134.03716	3.6
135.04515	39.3
136.04816	2.0
147.02968	4.1
165.04027	100.0
166.04369	3.3
179.03482	24.4
180.03833	1.1
200.25279	0.6
219.90115	0.7
227.02827	0.5
327.07410	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	327.072
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67365	0.5
53.40750	0.5
59.01376	2.3
70.03161	1.1
70.03577	2.0
71.01382	1.6
72.10169	0.6
73.02920	0.6
74.48281	0.6
75.00865	0.9
82.10253	0.5
86.86157	0.6
87.00872	18.8
96.96069	0.5
99.00901	2.9
101.02439	1.1
105.01935	22.5
105.03485	1.0
107.05058	0.8
108.42943	0.5
115.61287	0.5
117.01945	0.8
119.05039	1.0
123.04510	2.7
133.02969	0.8
134.03749	4.3
135.04520	48.9
136.04855	2.0
147.03003	3.6
149.02467	1.6
163.04105	0.8
165.04048	100.0
165.05525	10.6
166.04434	2.6
179.03500	30.2
180.03816	2.3
252.57727	0.5
267.08597	1.0
285.51556	0.6
312.08704	0.6
327.07202	3.0
327.10806	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.0721
Annotation	Unknow
Peak:m/z	Relative Intensity
57.37272	0.6
59.01372	2.2
62.13955	0.6
66.70943	0.7
66.79337	0.7
70.46243	1.4
70.46611	1.3
71.01378	1.0
72.99332	1.2
73.02936	0.6
75.00858	2.9
86.21160	0.7
87.00869	18.2
96.95995	3.4
99.00907	3.2
99.01427	0.6
101.02411	1.4
105.01928	22.5
107.05019	0.7
117.01946	1.0
118.43069	0.7
119.04994	1.5
123.04515	0.9
134.03743	2.6
135.04518	34.6
136.04849	2.0
147.02988	3.8
147.04475	1.0
163.04008	1.3
165.04031	100.0
166.04379	2.5
179.03493	21.3
180.03845	1.1
191.05565	1.9
201.52769	0.7
221.67151	0.7
299.04028	0.7
304.03873	0.6
327.07220	2.8
327.11005	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	325.2381
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03463	0.7
59.01380	3.4
70.87570	0.7
70.87909	1.1
83.51536	0.4
89.78381	0.5
97.06569	0.5
111.08184	0.6
121.10235	0.7
123.08112	0.8
125.09719	0.9
137.09674	1.1
139.11269	2.0
141.09383	0.5
150.88940	0.5
151.11240	1.7
153.12949	0.5
155.10779	0.7
167.10767	2.7
171.10298	3.4
177.12747	1.0
183.01219	2.8
183.10225	2.2
197.02739	8.6
197.11684	0.5
199.13396	1.2
227.12814	0.8
230.02519	1.1
249.22118	0.6
265.21716	1.2
275.19977	2.2
289.18164	0.8
293.21225	13.9
294.21527	2.0
307.19083	1.9
307.22714	2.3
310.21414	2.4
325.18347	22.9
325.23743	100.0
326.18637	1.9
326.24142	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	327.072
Annotation	Unknow
Peak:m/z	Relative Intensity
58.11882	0.6
58.63988	0.5
59.01375	4.9
71.01375	5.6
72.99293	2.2
73.02923	1.1
75.00873	5.5
85.02937	3.1
87.00872	20.5
89.02431	1.8
93.03458	1.5
96.96021	2.4
99.00883	3.2
101.02428	2.2
105.01930	21.4
107.05016	1.9
109.02956	0.8
115.00398	1.4
117.01941	1.1
123.04519	2.1
127.04028	0.7
130.12465	0.6
133.02910	0.7
134.03726	3.6
134.04727	2.5
135.02922	2.3
135.04517	43.1
136.04861	2.2
147.02982	6.3
151.04025	1.2
165.04030	100.0
166.04405	3.2
174.01060	0.6
174.53575	0.7
179.03481	26.6
180.03777	0.9
187.27966	0.6
191.05589	23.7
192.05920	1.3
237.04120	0.8
267.08743	0.9
327.09811	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.217
Annotation	12alpha-Methylpregna-4,9(11)-diene-3,20-dione
Peak:m/z	Relative Intensity
59.01370	1.5
60.87029	0.4
61.14785	0.4
79.95739	0.5
89.55260	0.4
98.20748	0.8
98.94792	0.5
118.90504	0.5
119.04998	0.7
147.08156	0.6
149.09711	87.7
150.10045	5.4
163.11278	100.0
164.11600	7.0
170.00388	0.5
181.32759	0.4
183.01205	20.2
184.01956	3.4
197.02817	0.8
215.60672	0.5
216.01015	1.4
281.24924	0.5
307.19174	0.7
311.11481	0.6
325.18359	42.8
325.21759	93.7
326.18661	5.3
326.22092	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	325.2381
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	1.1
59.01369	6.0
61.98846	1.4
69.73077	2.8
71.05019	2.1
97.06586	1.1
99.08185	1.1
101.92886	0.7
102.47173	0.8
106.19724	0.6
111.08084	0.7
113.09740	1.7
123.08186	1.0
125.09755	3.4
137.09711	1.6
139.11273	5.8
153.09177	3.0
154.10017	1.8
163.11266	1.6
167.10762	1.2
177.12825	7.7
179.10730	1.2
183.01230	1.6
193.12318	1.7
195.13885	37.2
196.14233	2.7
197.02736	2.9
197.11772	1.4
209.11850	0.9
211.13454	3.3
218.67899	0.8
249.22226	1.9
265.21753	1.2
275.20218	1.6
293.21225	29.4
294.21555	4.4
307.19128	3.2
307.22775	4.3
309.20621	1.3
310.21506	4.6
325.07074	1.0
325.18204	5.8
325.23807	100.0
326.18365	1.0
326.24179	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	325.2017
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	4.0
59.01368	4.6
59.40567	0.9
68.04948	0.7
69.33191	3.2
69.33617	4.7
71.01374	1.3
71.05025	2.6
73.02954	1.0
74.03519	0.8
80.02677	5.3
81.03460	1.0
83.05008	1.8
84.02167	5.4
85.02966	1.0
97.06585	9.9
113.09716	2.0
115.07616	1.7
123.08163	5.2
125.09715	61.7
126.10062	2.1
127.11227	2.4
135.08156	1.5
137.09714	31.2
138.10051	1.2
141.09189	2.0
143.10745	1.1
153.09177	2.7
155.10751	8.7
163.11250	3.0
164.08351	1.7
165.12822	2.0
169.08669	1.8
171.10265	5.6
178.09895	1.5
187.09724	2.8
191.10800	1.4
199.09695	2.0
201.11275	5.4
207.10280	0.9
209.09853	1.8
209.11806	27.5
210.12129	1.5
227.12920	2.8
239.27086	1.0
253.18073	1.4
263.20114	2.1
279.19641	3.0
281.21191	3.2
289.18076	6.2
293.21387	1.7
307.19119	100.0
308.19470	11.1
325.20105	17.1
325.23868	7.6
326.20334	2.5
326.24008	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2018
Annotation	Unknow
Peak:m/z	Relative Intensity
52.64552	7.4
57.03445	18.9
59.01359	35.1
61.17234	8.1
69.03464	7.8
69.80333	8.6
70.52104	28.8
71.01365	8.5
93.03514	8.0
95.05020	10.6
97.06564	39.7
98.20473	11.4
100.55799	7.2
109.06559	13.8
111.08142	20.2
125.09700	29.7
137.09673	20.8
151.11243	20.2
153.09158	9.6
155.10735	22.6
165.12691	10.7
169.12265	13.4
171.10231	24.1
179.10780	11.7
181.12280	27.4
187.29683	8.0
191.10796	16.3
197.11813	22.7
201.11235	10.1
209.11774	72.1
227.12880	17.1
281.39795	11.3
282.14584	7.9
305.09561	8.1
307.19086	100.0
308.19507	12.5
325.20096	12.3
325.23825	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	325.2018
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	2.9
59.01371	2.3
69.85558	2.6
69.85966	1.6
71.01365	1.4
71.05005	1.2
73.02940	0.7
73.18646	0.6
73.19079	0.7
80.02686	5.4
81.03467	1.1
83.05018	2.9
84.02161	3.4
90.93138	0.8
97.06580	8.1
99.08147	0.8
102.20457	0.7
106.16655	0.8
111.81169	0.7
113.09694	2.0
115.07608	1.0
117.55022	0.7
123.08158	3.6
125.09716	46.7
126.10036	3.0
127.11275	2.0
135.08170	1.2
137.09709	25.9
138.10065	1.8
141.09238	1.0
149.09801	0.8
153.09193	2.0
155.10767	9.2
163.11275	2.0
164.08437	0.9
165.12860	1.1
169.08701	1.4
171.10239	2.3
178.09958	1.0
183.55624	0.7
199.09642	1.0
202.08806	0.8
209.09839	1.3
209.11803	24.0
210.12096	1.3
227.12808	1.8
245.19109	1.3
263.20059	1.4
270.76535	1.0
279.19766	1.8
281.21286	2.3
289.18076	5.2
290.18332	0.8
304.48557	0.8
307.19128	100.0
308.19470	9.8
325.20242	16.2
325.23984	1.5
326.20529	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	325.2018
Annotation	Albocycline M-6
Peak:m/z	Relative Intensity
53.42093	1.8
57.03441	7.4
58.00585	2.3
59.01383	22.9
63.30560	2.1
69.03454	3.1
69.70575	13.1
70.29865	2.2
71.01372	3.6
71.05000	4.5
83.05001	3.7
84.01533	2.0
84.02139	2.9
87.04477	3.7
90.84505	2.5
96.96004	4.3
97.02928	2.5
97.06594	9.7
99.08150	2.3
101.06097	3.2
109.06599	12.7
111.08159	4.6
121.02924	2.7
123.08122	4.4
125.09737	13.8
127.07650	3.9
127.11295	3.8
135.04454	2.4
135.08157	2.8
137.09729	7.4
138.09991	2.5
139.11288	2.3
141.09207	2.3
151.11217	2.9
153.09227	3.6
155.10768	5.2
163.11253	2.6
171.10251	16.4
185.11804	5.2
197.11829	31.2
198.12141	3.9
199.13414	5.8
201.11337	11.2
209.11800	11.6
210.12144	2.3
211.13449	13.7
213.11258	5.8
223.09882	2.2
223.13362	4.2
227.12849	6.8
231.43759	2.3
235.13405	3.1
237.14938	4.5
246.81602	2.2
249.14946	2.3
279.19678	2.6
289.18054	14.9
307.19135	33.3
308.19461	6.4
311.11383	2.6
325.14316	4.7
325.20190	100.0
326.20523	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	325.2017
Annotation	Dinor-PGF2alpha
Peak:m/z	Relative Intensity
57.03453	3.9
59.01365	1.4
62.61237	0.7
66.02606	0.6
69.03454	1.0
70.36012	1.5
71.05016	2.3
76.03706	0.8
80.02666	6.1
83.05035	1.4
84.02168	5.5
95.04998	0.9
97.06588	8.6
99.08167	1.0
110.70663	0.6
113.09727	2.0
116.92422	0.6
116.98711	0.7
119.08620	0.7
123.08151	6.3
125.09716	75.6
126.10081	3.2
127.11266	2.6
128.78424	0.6
131.09607	0.6
135.08183	2.2
137.09715	35.8
138.10030	1.7
141.09245	0.8
149.09737	0.9
153.09171	4.7
155.10760	10.0
155.11897	1.2
163.11258	1.5
164.08377	1.8
165.12852	0.7
169.08676	3.0
171.10277	5.5
187.09749	1.9
201.11234	1.1
209.11801	5.9
213.11298	0.9
227.12811	3.8
227.32819	0.7
245.19144	0.7
250.12096	1.8
253.18051	1.9
263.20126	1.4
272.71582	0.8
279.19565	2.7
281.21179	1.5
289.18045	7.9
297.20709	1.3
307.19119	100.0
308.19424	12.4
312.36948	0.7
321.53040	0.7
325.20163	16.0
326.20535	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	325.2017
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	14.9
59.01371	24.5
69.03439	12.4
69.86193	46.9
71.01377	11.0
81.03465	18.3
83.01365	11.5
83.05022	23.7
88.88468	9.4
89.33284	9.9
95.05008	12.8
97.02940	15.9
97.06570	33.0
121.06593	13.6
123.04523	27.2
123.08127	15.7
125.09717	100.0
128.59354	10.7
137.09741	41.0
163.11243	32.0
165.12810	15.9
167.10738	43.6
181.12349	14.7
185.11807	27.4
191.10652	11.5
207.10284	18.9
209.11853	74.4
211.13248	11.9
245.19058	23.0
289.18121	24.1
307.19241	51.7
325.19717	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	325.2017
Annotation	Unknow
Peak:m/z	Relative Intensity
51.82967	1.3
57.03429	4.6
57.91436	1.2
59.01362	2.1
69.03447	1.5
69.80397	3.1
69.80798	4.1
71.05007	2.0
74.82280	1.3
75.31712	1.3
80.02664	1.7
83.05024	2.1
97.06563	2.0
98.20574	2.5
109.06562	6.7
111.08157	17.9
123.08136	2.7
125.09726	24.2
127.11327	8.8
137.09749	6.9
141.09221	2.6
141.99847	1.6
149.09628	1.4
151.11266	2.9
153.09186	3.4
155.10747	4.4
157.38681	1.7
165.09134	2.9
169.12308	2.0
171.10274	13.9
181.12373	1.4
183.10339	2.5
193.12390	1.5
195.10225	3.9
197.11836	10.6
199.09686	2.7
201.11310	58.4
202.11652	4.0
211.13385	7.7
213.11316	44.0
213.12808	0.9
214.11629	3.1
227.12952	1.8
235.10385	1.2
237.14973	3.8
241.94977	1.6
245.19116	1.7
289.18045	19.3
290.18384	2.3
300.59305	1.4
307.19119	40.8
308.19479	3.9
325.20163	100.0
326.20511	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	325.2018
Annotation	Dinor-PGF2alpha
Peak:m/z	Relative Intensity
53.43171	0.7
57.03452	4.5
58.97389	0.6
59.01376	1.8
71.01371	1.5
71.05017	1.7
73.02951	1.0
80.02668	5.4
81.03453	0.8
83.05020	0.7
84.02166	6.6
88.24071	0.7
95.05011	1.4
97.06580	9.1
110.03696	1.1
111.08145	2.0
113.09721	2.0
123.08157	6.1
125.09721	76.4
126.10075	3.5
127.11311	2.3
135.08151	1.9
137.09724	39.1
138.10059	2.6
141.09264	0.9
153.09248	6.4
155.10789	11.1
156.11118	0.7
160.03870	0.7
164.08397	0.9
169.08708	2.3
171.10266	7.3
182.09424	0.7
187.09819	2.6
199.09734	0.9
201.11305	2.1
209.11867	5.7
227.12894	2.9
245.19060	1.1
250.12202	1.0
253.18021	2.0
263.20163	0.8
279.19632	2.5
281.21201	2.3
289.18045	7.0
290.18387	1.0
297.20508	0.9
307.19135	100.0
308.19498	12.0
325.20154	21.0
326.20605	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	325.096
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	0.8
61.98837	0.2
71.62025	0.2
79.95733	1.3
89.02528	0.1
90.67596	0.1
96.96008	100.0
97.95956	0.6
131.04645	0.1
133.02954	0.2
142.06682	0.2
149.56522	0.2
155.59412	0.1
161.02438	0.2
183.13904	0.2
185.11752	0.7
245.13939	0.6
263.24210	0.1
325.09579	14.7
326.10025	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	325.2017
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	2.8
59.01374	2.7
62.61431	0.9
69.03461	1.2
71.01374	7.0
71.05006	1.7
71.06622	1.1
71.06937	1.5
72.02155	1.8
80.02689	1.4
81.03454	2.4
83.05006	7.1
84.02168	3.1
85.02927	1.6
90.68782	1.0
92.34171	1.0
95.05035	1.7
97.06576	5.3
99.04534	2.2
99.08143	3.4
106.04314	0.9
109.06589	1.7
111.08172	1.2
115.07634	2.5
123.08134	1.7
125.06004	1.2
125.09721	6.3
127.07648	20.0
135.08154	2.4
137.09668	1.2
139.07629	3.7
141.09229	1.4
153.09210	13.9
155.10759	3.4
163.11320	4.6
165.12830	2.4
171.10268	14.9
178.09955	3.3
180.88394	0.9
185.11821	16.6
191.10742	1.9
191.14413	2.1
193.12323	1.1
197.11809	18.4
198.12152	1.2
207.10201	1.3
209.11815	75.9
210.12154	5.8
211.13507	1.3
237.11327	1.0
237.14932	2.3
238.11983	6.8
245.19077	4.7
249.14931	1.9
253.18118	1.4
256.13025	4.7
265.17920	1.1
279.19431	1.9
289.18045	15.1
290.18246	1.3
307.19119	100.0
308.19437	11.5
324.53448	1.1
325.20157	51.1
326.20450	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	325.0926
Annotation	4'-O-beta-D-Glucosyl-cis-p-coumarate
Peak:m/z	Relative Intensity
59.33681	0.3
62.42549	0.5
62.49869	0.3
62.79217	0.3
64.88818	0.3
69.53365	2.4
73.38683	0.4
75.83010	0.4
119.05019	100.0
119.39371	0.4
120.05356	4.5
137.42012	0.4
142.06740	0.4
163.03995	79.2
164.04332	4.0
307.37372	0.3
325.09140	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.0926
Annotation	Unknow
Peak:m/z	Relative Intensity
53.16633	0.4
57.90324	0.5
69.51939	1.3
69.52358	2.3
75.00871	3.0
90.80243	0.5
95.04996	0.5
106.67919	0.5
119.05022	100.0
120.05358	4.8
121.49693	0.5
123.04531	0.6
133.02928	2.4
139.19655	0.5
142.06644	1.1
143.03502	0.8
159.70296	0.5
161.04514	0.5
163.04007	87.8
164.04346	5.2
177.01939	1.2
179.05606	7.9
180.05945	0.6
222.02299	0.9
289.07260	1.6
325.09268	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.0959
Annotation	Unknow
Peak:m/z	Relative Intensity
57.47926	0.2
59.01379	1.8
61.20190	0.3
61.98796	0.4
69.25690	0.7
69.26111	1.7
71.01353	0.3
75.88239	0.2
79.95734	1.4
93.03511	0.2
95.05051	0.3
96.96006	100.0
97.95916	0.3
109.02956	0.6
113.02451	0.3
121.06618	0.5
123.04527	0.5
134.03683	0.3
136.01601	0.4
151.04051	0.3
161.02379	0.5
183.13896	1.7
199.13364	2.5
227.12978	0.5
245.13928	7.5
246.14363	0.4
282.01669	0.6
296.03244	0.6
297.03928	0.4
325.03958	3.1
325.09610	26.3
325.13394	1.3
326.09982	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	325.0926
Annotation	p-Coumaroyl-D-glucose
Peak:m/z	Relative Intensity
59.01366	4.6
59.61814	0.6
64.57702	0.6
71.01381	4.0
71.04996	1.8
71.06623	0.9
71.06969	0.8
72.99302	5.1
73.02946	4.0
75.00871	32.8
81.03458	4.5
87.00857	2.9
87.04507	0.9
89.02418	0.8
93.03479	0.8
96.95985	1.3
99.00889	5.5
99.04507	5.0
100.88309	0.6
101.00420	0.6
119.05026	39.6
120.05357	1.3
121.13730	0.5
135.04538	0.7
143.03496	8.8
145.02966	1.0
161.04535	11.5
163.04005	56.7
164.04381	3.0
179.05608	100.0
180.05855	3.4
198.73022	0.7
325.09293	11.0
326.09680	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	325.0347
Annotation	Irisoid D
Peak:m/z	Relative Intensity
56.51106	0.4
59.01378	2.3
61.98813	1.2
62.67437	0.3
64.18427	0.4
66.79485	0.3
71.01392	0.6
71.18727	0.6
79.95722	4.3
80.96558	0.5
81.95338	0.4
93.03475	0.5
95.95211	1.8
96.96005	4.1
98.95608	0.7
109.89717	0.4
113.44640	0.4
123.04491	0.5
133.06201	0.4
135.04498	0.4
161.02441	0.6
163.04005	0.6
174.03220	0.6
177.01967	0.5
197.06311	0.5
198.03204	0.8
209.06000	0.4
210.03091	0.7
212.04761	0.4
223.03738	0.4
224.04776	0.6
225.05490	1.1
226.02608	1.0
237.14816	0.5
239.06827	0.6
240.04338	0.8
241.04916	1.0
251.03453	1.3
252.04044	1.0
253.01396	0.7
253.04929	0.6
254.02213	0.9
255.06856	0.6
263.39841	0.4
267.02899	2.1
268.03809	1.8
269.04425	1.5
282.01669	29.7
283.01996	2.8
295.02420	5.8
296.03226	19.1
297.03882	5.5
298.04208	0.7
307.02469	0.5
325.03494	100.0
325.14746	11.1
326.03821	9.7
326.15106	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.0927
Annotation	CHEBI:76093
Peak:m/z	Relative Intensity
59.01384	4.3
71.01389	2.7
71.05013	1.4
72.99303	2.3
73.02943	2.5
75.00869	33.2
79.75282	0.4
79.95741	2.8
81.03461	2.8
85.02948	0.6
87.00858	3.5
89.02435	0.6
96.95996	3.5
97.02951	0.6
99.00846	2.9
99.04517	2.0
102.55214	0.4
116.96521	0.5
117.03415	0.5
119.05019	19.8
120.05359	1.0
121.02943	0.7
125.02377	0.6
128.57005	0.5
133.02928	0.7
133.71475	0.5
134.03703	1.0
134.20006	0.5
135.04532	0.7
142.06616	33.4
143.03490	8.2
144.03790	0.6
158.06064	1.2
161.02460	0.6
161.04524	4.7
163.03996	22.4
164.04364	1.4
175.00342	0.6
177.01985	0.9
179.05594	100.0
180.05991	3.3
186.05609	1.3
191.03430	0.4
191.05547	1.3
191.07146	0.6
193.05048	1.1
205.05061	1.4
217.01457	0.5
222.02287	13.0
238.01756	2.1
245.04550	1.7
265.07104	1.7
266.01175	1.1
325.09558	4.4
325.13077	0.8
326.03387	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	323.2225
Annotation	Dihydromonacolin L acid
Peak:m/z	Relative Intensity
59.01381	9.0
62.95518	1.1
63.69784	1.1
69.03469	1.4
70.47397	4.5
107.08683	2.2
127.88815	1.1
137.09732	1.4
139.11259	2.6
144.16878	1.2
153.09200	2.1
153.12840	2.2
157.51125	1.1
167.10780	2.4
171.10307	2.4
181.12344	3.7
183.10387	1.6
197.11815	6.3
199.13200	1.2
207.13857	2.5
209.11760	1.2
213.11267	2.4
247.20575	5.4
263.20181	1.7
273.18683	3.2
291.19647	55.0
292.20013	4.0
305.21201	2.5
308.19833	5.7
323.22241	100.0
324.22531	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	323.2224
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03438	1.4
59.01377	11.5
61.98783	0.7
71.01373	1.9
71.04995	0.9
71.61072	0.7
80.02680	1.3
81.03439	1.4
82.87302	0.6
83.05022	0.8
95.05021	1.5
97.02958	1.5
97.06586	1.9
97.09582	0.6
101.02446	0.8
101.05997	0.6
107.08664	1.4
109.06584	0.7
110.03741	0.8
110.58895	0.6
111.04479	0.6
111.08130	0.6
113.02393	0.6
113.09722	0.9
118.19183	0.6
123.04528	5.3
123.07487	0.7
123.08171	7.1
125.09682	2.3
135.08115	1.4
137.09680	3.1
137.88342	0.6
139.11301	4.2
142.02689	1.3
151.07613	2.5
152.08409	3.3
153.09216	3.7
163.11240	1.1
165.12804	1.2
167.10773	1.0
171.10258	2.4
177.12839	5.1
179.10739	1.3
181.12192	0.6
190.40741	0.7
195.13899	12.7
197.11772	1.9
199.13383	1.4
203.14388	1.0
209.11868	1.3
211.13405	2.0
221.11804	23.9
221.15172	4.8
222.12148	1.7
223.13206	0.7
241.10658	0.8
243.42357	0.7
247.20572	3.0
251.12816	0.9
253.14421	24.9
254.15015	4.6
273.18552	3.4
291.19635	54.6
292.19962	5.0
305.17551	3.3
305.21094	15.4
306.18259	1.0
306.21530	2.3
307.19128	1.2
308.19931	5.1
309.20166	0.9
323.22226	100.0
324.22504	13.9
327.55185	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.1862
Annotation	Marrulanic acid
Peak:m/z	Relative Intensity
57.03443	21.9
59.01371	55.0
71.05019	100.0
73.35151	10.9
81.03463	21.0
95.05023	55.6
95.69903	9.0
97.06583	13.8
98.70004	8.9
108.47043	8.1
109.06593	45.5
111.04523	9.7
121.06593	15.3
123.08195	16.4
125.09708	19.4
135.08157	43.2
147.04541	16.9
151.78587	10.0
155.44937	9.2
163.59483	8.9
165.09135	35.0
177.12759	12.5
185.11765	16.1
189.12825	40.6
205.15875	17.4
229.02768	10.3
231.13753	10.5
233.11816	15.4
237.14844	64.6
243.17558	40.3
249.14876	38.4
279.19476	10.7
287.16479	83.0
288.16690	10.3
305.17535	87.8
305.21124	25.0
323.18408	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	323.1861
Annotation	Hynapene A
Peak:m/z	Relative Intensity
56.55291	1.5
57.03444	5.7
59.01376	30.8
61.98818	2.1
71.05013	3.5
72.36060	1.5
73.02924	1.5
80.02676	3.9
81.03465	2.9
83.05022	6.7
91.05539	4.2
93.03429	1.6
95.05014	6.7
96.96004	5.3
97.02936	5.5
97.06586	56.0
98.06931	2.1
98.20644	3.8
99.00869	1.6
106.04240	4.9
107.08633	1.7
109.05872	2.6
109.06584	45.6
110.03702	1.6
110.06905	2.2
117.07096	2.5
119.05005	4.5
121.02987	1.5
121.06596	2.8
123.08151	7.4
125.09720	50.2
135.08153	28.9
136.05290	2.0
142.02620	2.0
146.07408	1.4
153.09134	2.9
161.06071	28.8
162.06425	2.9
163.11284	15.4
164.11621	2.3
169.08633	1.5
171.10240	2.9
181.12320	7.7
183.21109	1.3
185.11827	4.7
189.12798	3.5
197.11792	3.2
199.47896	1.7
207.10245	46.1
208.10524	3.3
209.11726	3.4
221.11899	2.4
223.13297	7.9
225.11299	43.1
225.34406	1.7
226.11743	3.2
235.13402	1.7
243.17488	5.8
248.47127	1.4
249.14938	3.6
261.14880	5.6
261.18512	4.4
265.14340	2.6
269.15469	3.3
277.18088	8.2
279.15991	54.5
280.16272	5.9
287.16531	30.7
288.16953	2.8
295.19116	2.2
305.17554	100.0
306.17902	8.8
315.00467	1.7
323.15289	1.8
323.18549	15.8
324.18927	2.1
327.75858	1.6
329.29816	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	323.1862
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	9.3
59.01366	5.4
63.16658	2.3
70.89600	6.2
71.01373	3.0
71.05005	5.3
73.02959	3.2
80.02671	10.5
81.03439	4.4
83.01373	6.2
83.04991	5.7
84.02168	6.3
95.05019	13.9
97.03003	2.9
97.06595	19.4
106.04228	5.5
107.04970	3.2
108.02180	4.1
109.06591	54.4
113.06026	2.4
121.06570	4.0
123.04471	2.4
123.08164	25.5
125.09718	92.4
126.10053	5.2
127.11290	6.2
135.07175	4.3
135.08151	51.8
136.08479	2.5
137.09692	4.1
141.09236	5.1
147.04517	3.7
149.09813	2.6
151.07649	5.3
151.11249	5.6
153.09221	16.3
155.10771	3.9
161.06052	4.5
163.11319	4.1
165.09120	4.0
165.12810	2.9
171.10255	15.3
185.11807	10.0
187.09627	4.1
189.12823	3.7
191.10764	3.7
195.10211	3.2
199.09775	8.3
201.11310	77.0
202.11864	2.9
203.14323	3.1
209.11809	37.1
211.13373	2.8
213.11302	62.9
214.11595	3.3
227.12862	4.5
243.17383	5.4
250.12053	7.2
261.18570	4.4
265.14282	7.5
277.18195	2.7
287.16513	59.5
288.01163	2.9
288.16672	6.1
305.17545	100.0
306.17825	9.7
323.18604	80.6
324.18845	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	323.1858
Annotation	Unknow
Peak:m/z	Relative Intensity
56.67396	2.3
57.03434	11.1
59.01378	26.1
62.94981	2.8
65.79712	2.2
69.03461	4.8
70.46645	7.7
71.01373	7.2
71.05021	11.4
80.02669	3.5
81.03425	4.7
83.01393	13.3
83.05032	7.3
85.02974	3.8
93.03445	3.9
95.05032	15.4
96.96009	4.4
97.02921	2.5
97.06593	17.0
99.04516	2.2
99.92560	3.1
101.02447	2.4
107.05019	3.3
108.02161	9.3
109.06573	10.5
111.08127	2.3
113.06039	2.6
116.92876	4.1
121.02923	4.6
121.06599	4.4
122.03748	3.5
123.04485	6.6
123.08136	3.9
125.09734	23.2
135.08122	9.1
149.09760	3.4
151.11276	5.4
153.09154	4.1
160.73959	2.1
163.11255	8.4
165.12810	10.7
167.10771	2.6
168.90009	2.5
177.12729	2.2
179.10764	3.3
181.12328	13.7
185.11836	16.3
185.36201	2.2
189.12856	4.1
191.05588	14.8
191.10728	7.8
197.11920	2.5
199.09796	3.7
199.13347	22.4
200.09920	2.7
203.14398	6.7
207.10231	3.8
209.11826	100.0
210.12169	5.7
211.13333	4.9
225.11285	4.5
233.11780	6.7
235.13364	3.0
237.14964	19.8
243.17282	5.2
243.88521	2.5
247.13301	8.6
249.14807	4.6
251.12837	11.0
261.18430	3.0
263.16486	3.5
265.14368	10.7
279.19669	3.6
287.16458	22.3
305.17584	46.2
306.17981	3.7
323.05875	4.2
323.14880	6.4
323.18530	32.8
324.18906	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	323.1862
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	1.5
57.39004	0.6
59.01378	2.7
69.71577	1.5
69.71999	2.0
71.01371	1.3
71.05026	1.2
73.02921	0.7
79.05533	0.6
80.02676	1.7
81.03466	1.8
83.05012	9.4
84.02156	2.3
93.03441	0.7
95.05006	1.6
97.02971	1.7
97.06608	2.9
98.19851	0.8
99.04569	0.8
107.05027	11.8
107.05702	0.9
108.02197	0.8
108.05373	0.6
109.06591	3.4
110.03757	1.6
111.00848	1.2
111.08125	0.8
113.06095	1.4
114.92750	0.7
115.07652	0.9
121.02965	1.3
123.04517	1.8
123.08182	1.6
125.02450	2.5
125.06097	3.8
125.09719	8.1
127.07642	0.8
130.27589	0.6
133.02960	1.1
135.08156	6.8
147.04526	0.8
151.07700	0.8
153.09196	15.7
163.11282	7.7
165.12782	3.8
176.08401	2.5
178.09987	3.6
181.12326	1.7
185.11874	2.9
191.10750	2.1
192.11488	1.0
197.11798	12.5
198.12251	0.7
207.10275	7.6
207.13904	0.6
208.10628	1.1
209.11823	100.0
210.12132	7.6
225.11290	7.0
233.05962	0.6
236.10533	3.5
243.17467	2.7
245.15526	1.1
253.10559	1.0
254.11655	3.2
261.18604	5.6
263.16489	1.1
269.15466	1.4
277.18085	2.8
279.19528	3.7
287.16522	10.1
288.16772	1.3
305.17563	94.3
306.17920	10.7
323.18640	13.9
324.19009	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.1608
Annotation	Unknow
Peak:m/z	Relative Intensity
50.94980	0.5
59.01371	4.4
70.02974	8.1
71.01381	8.0
71.62550	0.8
75.30591	0.4
96.00903	4.7
96.96011	4.4
114.01963	16.6
133.02919	0.5
134.09854	0.6
135.04507	1.8
162.12878	4.9
164.14429	25.2
165.14816	1.3
172.11299	0.7
173.04591	1.0
179.03467	1.4
190.12349	22.1
191.05641	0.8
191.12689	2.0
208.13405	100.0
209.13765	6.5
262.14267	0.6
264.23129	0.6
279.17148	4.7
295.02359	1.0
305.15112	1.7
323.01807	1.4
323.16058	44.8
324.16391	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	323.0803
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	0.6
76.09140	0.2
79.95728	1.1
82.24726	0.2
96.96007	100.0
97.95977	0.2
98.19875	0.6
139.11276	0.3
150.62213	0.2
182.20497	0.2
183.10242	0.5
225.11269	0.2
229.61058	0.3
243.12308	0.9
285.09442	0.2
323.08026	15.3
324.08475	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.0983
Annotation	Unknow
Peak:m/z	Relative Intensity
50.95015	1.8
58.00591	4.6
59.01376	100.0
63.02743	1.8
69.03447	4.7
71.01378	66.8
71.61395	3.6
72.99313	4.1
73.02934	8.2
79.95740	2.1
81.03429	3.6
83.01364	5.4
85.02944	17.2
87.00864	4.3
89.02441	56.3
95.01380	3.3
96.96004	6.7
97.02955	7.5
97.06588	2.5
99.00867	3.4
101.02440	40.2
111.00839	2.1
113.02451	20.8
119.03487	24.2
119.05014	3.3
125.02448	20.2
126.06852	1.7
131.03485	5.8
137.02428	2.0
143.03484	4.6
145.02884	3.0
145.07680	3.5
149.04552	2.2
156.26489	1.7
161.04514	6.2
163.03964	4.3
179.05568	2.9
188.81966	1.8
189.76549	1.8
191.05592	2.2
221.06575	4.6
228.39639	1.8
243.07750	4.0
287.05664	2.7
323.03549	2.8
323.07562	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	323.1344
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00570	1.2
59.01375	100.0
60.01708	1.4
63.01795	0.8
67.85328	0.7
70.46776	2.4
71.01374	18.8
72.99335	1.4
76.90061	0.7
77.52831	0.6
78.95940	0.8
85.02949	5.2
87.00883	1.3
89.02435	20.5
95.01383	1.5
96.95992	1.1
98.20552	0.8
101.02435	11.5
104.46246	0.6
107.05058	1.0
109.21510	0.6
113.02447	8.1
119.03497	10.5
123.04485	2.1
124.74850	0.7
131.03514	0.9
133.02959	2.3
143.03601	1.3
143.07124	11.8
149.04413	0.9
151.03984	7.0
161.04556	2.4
163.04034	0.7
167.27670	0.7
177.01961	2.8
179.05617	3.0
195.02957	2.8
323.07422	2.0
323.13416	70.4
324.08411	0.9
324.10199	0.8
324.13724	6.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.0769
Annotation	Unknow
Peak:m/z	Relative Intensity
58.60492	1.0
59.01377	100.0
60.01692	1.3
61.69588	1.1
65.03968	2.2
71.01397	1.9
71.05005	1.8
71.62674	1.7
71.63371	1.2
73.02901	1.1
73.05438	1.0
83.05006	1.6
90.82927	1.1
93.03458	26.0
93.07049	1.3
96.96011	4.7
97.06600	1.6
97.24059	1.2
113.02423	3.3
114.14169	1.0
121.06616	2.7
134.53313	1.3
137.02434	40.2
137.06078	1.8
137.09717	2.0
151.03917	1.4
161.02394	2.1
161.04515	1.2
177.66057	1.1
179.03447	1.4
182.80083	1.2
185.11717	1.8
201.11304	1.8
205.05118	1.2
205.12384	1.4
243.93758	1.4
281.06604	4.8
305.17593	7.1
323.18518	13.7
324.18866	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	321.2068
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03438	1.3
59.01373	9.9
61.98824	0.9
70.92165	2.3
71.01382	1.0
80.02645	1.1
81.03461	1.0
83.05027	1.2
95.05034	1.7
96.95992	1.4
97.06593	2.2
109.06594	1.0
111.04523	2.0
121.03024	1.0
121.06593	1.2
131.05058	2.2
131.36130	0.8
146.07436	1.9
148.08881	3.2
149.09718	2.0
149.93129	0.9
151.11276	3.4
153.12860	2.0
163.11250	1.3
165.12878	5.8
174.10498	1.1
175.11212	2.2
177.12866	1.4
188.54434	0.8
191.10786	12.7
191.14450	5.9
193.12448	1.1
193.36179	0.9
203.14436	1.9
209.11777	1.4
216.15157	1.7
217.15939	2.8
226.13713	1.1
229.16043	1.0
237.11386	4.8
243.17506	1.8
245.19096	30.7
246.19362	4.0
247.16949	2.4
261.18594	1.9
271.16956	3.2
277.14484	1.2
289.18073	100.0
289.44885	1.0
290.18460	10.5
306.18539	1.1
321.20670	72.5
322.20999	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	322.2021
Annotation	(-)-Jasmonoyl-L-isoleucine
Peak:m/z	Relative Intensity
51.42830	0.2
57.03447	0.6
57.58768	0.3
58.02973	1.7
59.01374	1.6
60.68599	0.3
61.98843	0.3
69.03449	0.7
70.83456	0.4
70.83820	0.5
71.01397	0.4
71.05018	1.0
75.37711	0.2
80.02673	0.5
81.03437	0.6
83.05017	0.5
85.02952	0.2
89.62169	0.2
92.03063	0.2
93.03411	0.4
95.05016	1.0
97.06592	1.8
106.04237	0.3
107.05054	0.4
109.06596	2.7
109.21095	0.3
111.08107	0.3
115.12249	0.3
121.06628	0.3
123.04546	0.3
123.08144	0.6
125.09712	2.7
127.11266	0.3
128.10809	6.6
130.08727	100.0
131.09067	3.2
135.08109	1.6
149.09723	0.4
151.11284	1.3
153.09186	0.4
163.11336	0.5
165.12794	1.8
171.10284	0.8
171.38118	0.3
173.04630	0.4
179.10759	1.0
181.12363	1.7
187.09645	0.3
191.05612	0.8
191.10785	1.0
197.11694	0.3
201.11281	2.6
203.14488	0.3
207.10190	0.3
209.11807	5.1
211.03967	0.3
211.13498	0.3
213.11270	1.4
227.12515	0.3
243.17485	0.4
247.13246	0.3
261.18448	0.4
287.16437	2.1
305.17566	4.8
322.20181	35.3
323.18433	2.6
323.20554	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	321.1553
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	100.0
60.01721	1.2
62.01492	0.5
71.01375	3.7
76.57423	0.5
85.02958	0.8
89.02435	4.4
96.96002	7.6
98.19912	1.3
101.02448	1.8
113.02464	1.1
119.03499	2.0
124.33990	0.5
136.07680	4.5
138.05643	0.9
141.93379	0.6
173.04544	1.2
179.05644	0.9
183.93140	0.5
191.05617	1.0
259.14468	0.9
313.84854	0.5
319.19254	0.8
321.06766	0.8
321.10120	1.7
321.20450	0.9
322.10153	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.1704
Annotation	alpha-Zearalanol
Peak:m/z	Relative Intensity
59.01373	22.9
63.93166	2.3
68.02522	15.1
71.01375	3.5
71.05017	7.8
71.61410	2.0
71.61801	4.3
73.02950	2.3
83.05035	3.8
85.02985	2.7
93.03439	3.7
95.05021	7.4
96.95996	6.3
97.06584	18.3
99.08132	2.9
107.05038	4.6
111.04500	4.0
121.06563	4.4
123.04481	2.6
123.08145	27.9
125.09727	15.8
133.06505	2.5
135.08093	2.5
149.09651	4.3
151.07623	7.6
151.11275	2.1
160.05293	2.8
176.03967	5.9
179.03506	2.6
191.05551	4.1
195.10199	2.5
203.14442	4.6
205.12379	3.5
213.11261	5.6
223.09785	9.0
237.11302	3.3
247.13315	3.4
249.11435	2.5
265.14471	4.7
285.14871	7.8
303.15945	12.4
321.17035	100.0
322.17206	11.4
330.11658	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	321.2067
Annotation	Unknow
Peak:m/z	Relative Intensity
51.96360	1.2
59.01370	18.4
64.64257	1.4
70.10622	5.1
71.01363	1.6
71.05018	2.3
74.88509	1.2
95.05019	2.4
96.96010	6.3
96.96523	1.1
97.06554	2.1
98.20020	1.8
108.93675	1.2
109.06561	2.9
111.04498	2.1
121.06517	1.4
123.08121	1.4
137.06087	1.7
145.06607	1.5
148.09065	1.8
149.09595	1.6
150.10480	1.9
151.11206	1.8
153.38591	1.3
163.09999	2.2
163.11276	25.4
164.11604	1.9
165.12776	3.2
173.16890	1.2
174.10590	1.3
177.12807	2.8
178.91135	1.2
189.12801	1.3
191.14397	43.3
192.14694	4.1
193.12346	1.8
199.50014	1.3
205.12268	3.8
217.15910	3.7
244.23238	1.3
245.19057	30.1
246.19406	2.8
257.23044	1.4
271.16949	4.9
289.18060	100.0
290.18420	11.1
321.17355	4.3
321.20633	70.2
322.20889	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	321.1087
Annotation	Brachystemidine C
Peak:m/z	Relative Intensity
56.14493	1.5
59.01373	27.5
60.31489	1.4
67.77045	1.4
71.01385	5.3
80.05061	1.9
81.03470	2.8
82.02995	2.0
82.06618	3.9
84.04525	11.3
85.02937	3.2
86.02492	1.6
92.05054	24.7
93.03431	2.6
94.02972	3.4
94.06580	1.5
95.03739	2.3
95.05000	3.3
96.04548	5.8
96.96021	1.9
97.01678	7.9
101.02422	4.0
110.06103	55.2
111.06465	2.5
112.04026	4.4
118.99046	1.3
122.06114	58.5
123.03203	2.7
123.06381	3.0
124.04038	7.0
134.03726	2.6
136.04033	42.8
146.04626	1.7
166.01379	1.5
175.03918	1.9
181.03818	8.9
191.05592	5.9
192.05969	1.4
193.05035	3.4
203.11871	22.1
215.11774	7.6
234.04691	1.5
247.10860	41.5
248.11110	1.7
259.10818	39.0
259.13449	2.7
260.11136	4.9
277.11877	4.5
279.14435	3.0
303.09766	2.8
321.10870	100.0
322.11304	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	319.2275
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	0.3
65.96433	0.2
66.10752	0.1
67.48025	0.1
68.37585	0.1
69.88325	0.5
96.96004	0.3
171.10251	0.2
240.65900	0.2
319.22745	100.0
320.23068	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	319.2273
Annotation	19S-HETE
Peak:m/z	Relative Intensity
56.12539	0.1
61.56422	0.1
63.07375	0.1
65.33456	0.1
70.66077	0.2
70.66476	0.2
74.97307	0.1
80.60571	0.1
82.77188	0.1
126.66486	0.1
134.09749	0.3
174.37169	0.1
190.12399	0.7
205.96021	0.1
222.23143	0.1
254.44131	0.1
276.16013	0.2
319.22742	100.0
320.23071	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	319.2275
Annotation	19S-HETE
Peak:m/z	Relative Intensity
59.01351	0.1
60.92851	0.1
69.05974	0.1
69.77154	0.1
87.49135	0.1
88.52975	0.1
108.61066	0.1
120.97064	0.1
206.74408	0.1
319.22729	100.0
320.23074	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	320.1499
Annotation	Unknow
Peak:m/z	Relative Intensity
53.90174	0.4
55.43891	0.4
57.12706	0.4
59.01374	4.7
63.16459	0.4
64.84454	0.4
71.01383	0.4
71.05011	1.4
80.56271	0.4
85.02931	1.0
93.24252	0.4
95.05072	0.5
96.96013	3.4
113.59553	0.4
119.07408	0.9
125.09717	1.3
132.08177	0.6
134.09755	39.8
135.10085	2.2
137.06105	0.4
145.60486	0.4
151.07578	0.9
161.08427	0.6
175.09990	1.2
181.74753	0.4
189.11548	0.5
190.12360	100.0
190.90092	0.5
191.05545	0.6
191.12686	5.9
202.12334	0.7
214.15961	1.1
219.92055	0.4
232.16978	2.5
246.11229	0.6
249.11238	0.8
258.14938	1.1
265.14383	0.5
276.16003	21.7
277.16336	2.3
285.14850	1.2
285.95627	0.4
302.13913	3.5
303.16147	2.1
320.15033	18.7
320.23062	13.7
321.16830	2.0
321.23474	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.2118
Annotation	ISOSTEVIOL
Peak:m/z	Relative Intensity
59.01376	1.9
63.52846	0.7
69.44586	3.0
69.45019	2.6
71.01388	0.8
178.00037	0.8
178.01456	0.9
284.88336	0.8
286.71729	0.9
287.20117	0.7
303.14740	2.0
317.21173	100.0
318.17108	2.6
318.21524	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	319.0457
Annotation	Unknow
Peak:m/z	Relative Intensity
53.85826	0.6
55.01871	1.6
59.01410	0.7
60.54740	0.6
66.58202	0.6
70.62229	0.9
70.62562	1.3
71.05022	7.9
72.05381	0.6
74.34928	0.7
77.34187	0.6
83.77398	0.8
86.57391	0.6
89.58419	0.7
95.05020	18.8
95.05599	1.2
97.02947	27.9
98.03281	0.8
109.02946	14.4
110.26739	0.7
115.04001	4.3
115.75541	0.6
123.86311	0.7
137.02438	1.6
139.04007	58.6
140.02640	0.7
140.04332	2.4
153.01924	25.6
154.02272	1.1
165.01917	9.5
166.02179	0.7
178.31158	0.6
183.02971	100.0
184.03259	5.2
319.04483	0.7
319.19247	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.1603
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	0.5
59.01375	2.1
60.99274	0.5
61.98813	0.5
66.88551	0.4
67.01887	4.5
69.03439	0.8
69.59180	0.5
69.59583	2.0
71.01384	3.0
81.03468	0.7
83.05013	0.6
85.02941	0.6
93.03455	26.8
94.03753	0.8
98.19894	0.8
106.92915	0.3
109.02933	1.1
111.00865	1.3
111.04509	4.5
127.04034	0.4
129.90709	0.4
137.02449	4.9
143.10773	32.1
144.11122	1.1
155.03502	5.4
173.04536	100.0
174.04878	4.5
235.01915	0.4
317.16086	15.9
317.19843	0.9
318.16422	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	317.2119
Annotation	ISOSTEVIOL
Peak:m/z	Relative Intensity
54.35642	0.7
59.01360	1.2
65.52895	0.7
65.93836	0.7
81.64627	0.8
94.48315	0.8
157.39575	0.7
273.18555	1.5
317.21179	100.0
318.21494	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	317.2117
Annotation	ISOSTEVIOL
Peak:m/z	Relative Intensity
51.35092	0.5
56.84816	0.4
59.01372	0.6
78.30802	0.4
98.20614	1.7
132.90080	0.4
133.69362	0.4
142.32196	0.5
177.66261	0.4
216.07657	0.5
230.80237	0.4
317.21179	100.0
318.21494	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	315.1808
Annotation	Unknow
Peak:m/z	Relative Intensity
51.45443	0.5
55.01869	5.4
57.03443	5.2
58.00589	3.1
59.01375	49.5
60.02133	0.6
69.03441	1.3
71.01376	100.0
72.01727	1.8
72.99306	3.5
73.02941	25.5
75.00864	1.8
77.59083	0.6
79.95796	0.6
83.01389	8.7
85.02946	42.3
86.03300	1.2
87.00858	3.4
89.02435	21.2
95.01377	8.0
97.02963	1.2
99.00875	13.5
101.02438	52.4
102.02788	1.2
102.23779	0.6
113.02444	36.5
114.02786	0.7
119.03490	8.9
125.02475	1.6
129.01926	1.2
131.03461	0.7
143.03494	3.1
159.02979	7.7
161.04553	24.5
195.20464	0.5
205.03517	1.1
229.40715	0.8
315.18130	1.6
315.21930	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.1961
Annotation	TOTAROL-19-CARBOXYLIC ACID
Peak:m/z	Relative Intensity
52.95451	0.2
59.01364	0.2
69.36891	1.5
128.21121	0.2
149.09676	0.2
154.01106	0.2
160.91148	0.2
163.11366	0.3
220.83868	0.2
253.19463	0.2
255.17488	0.7
269.19025	2.3
271.20587	2.6
272.20950	0.3
306.22101	0.2
315.19604	100.0
316.19940	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	315.0719
Annotation	4-(beta-D-glucosyloxy)-3-hydroxy-benzoic acid
Peak:m/z	Relative Intensity
53.03981	0.7
59.01371	1.4
61.98807	2.1
66.76173	0.6
69.03447	2.2
71.01372	2.0
71.61370	0.7
75.00881	1.3
75.40812	0.7
79.01855	1.3
81.03455	1.5
83.01371	1.3
87.94386	0.7
95.01363	0.9
97.02932	1.8
107.01383	2.3
108.02161	4.1
109.02953	5.6
115.00341	1.0
123.00887	4.8
124.01655	18.4
125.02438	48.4
125.74293	0.6
126.02747	1.4
131.04648	0.7
133.05048	6.5
135.02968	2.2
149.99574	28.3
151.00394	6.5
152.01135	2.3
153.01039	0.6
153.01959	6.1
167.03458	1.0
168.00623	65.3
169.01422	13.0
247.06476	0.7
260.63284	0.6
276.30585	0.6
276.36722	0.8
297.06177	4.0
298.06335	1.0
315.07184	100.0
316.07544	9.2
335.25659	0.7
339.19702	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.0871
Annotation	Ougenin
Peak:m/z	Relative Intensity
53.02019	0.8
57.03456	0.8
59.01368	3.6
59.13497	0.9
65.03950	2.6
67.01875	3.6
67.57613	0.8
71.62223	1.3
81.03461	1.9
83.01357	4.7
83.05013	3.4
85.02958	1.7
85.06561	1.0
93.03445	3.4
95.01373	1.4
95.05035	2.1
96.00896	1.3
96.95998	2.7
97.02948	6.3
98.95609	2.2
107.05025	11.3
108.02166	2.3
109.02943	58.8
110.03284	2.2
111.04507	1.9
114.02049	1.2
119.05005	2.1
121.02932	4.1
121.06586	3.1
122.03719	3.0
123.00879	1.0
123.04518	26.2
124.04840	1.5
125.02427	2.0
128.47816	0.9
135.04553	5.5
137.02429	2.0
137.06119	1.4
139.03976	3.8
139.11288	1.0
143.07104	1.2
145.94519	0.8
146.03677	2.1
147.04596	1.4
149.02435	8.3
149.06073	2.2
150.03227	1.9
151.03996	38.0
152.04303	1.9
153.05534	1.4
159.04474	3.4
161.02461	3.1
161.06067	9.8
162.03160	1.6
163.04005	15.4
164.04811	1.8
165.05559	4.3
168.00661	1.2
170.97855	1.0
173.04529	0.9
173.06003	1.0
173.08263	1.0
175.04024	2.3
177.01936	1.7
177.05540	2.6
179.03523	1.2
185.05983	2.0
186.06845	1.3
187.03984	3.9
187.07596	1.1
188.04709	2.6
189.02011	1.2
190.02713	3.4
191.03464	5.6
191.05551	1.2
192.04309	1.3
193.05103	2.7
200.12874	2.7
201.05428	1.4
203.07112	5.4
204.07469	1.1
205.05028	20.2
211.07573	1.6
211.66116	1.0
213.05518	1.4
227.07239	2.1
228.07773	1.1
229.08672	9.0
231.03006	1.8
247.06163	3.9
247.09683	2.6
253.08681	1.5
256.07547	1.0
271.09772	12.6
272.10037	1.1
273.07718	1.1
288.46536	0.9
298.34796	1.0
315.08755	100.0
316.09085	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	315.0719
Annotation	4-(beta-D-glucosyloxy)-3-hydroxy-benzoic acid
Peak:m/z	Relative Intensity
54.26998	0.5
69.03453	2.4
70.15375	2.2
76.07184	0.6
79.01910	1.4
80.81221	0.5
81.03471	1.5
83.01388	1.1
97.02921	3.4
103.46666	0.7
106.14691	0.5
107.01378	2.1
123.00863	5.0
124.01656	19.2
125.02439	52.9
126.02784	1.6
128.88156	0.6
147.61147	0.5
149.99570	32.4
151.00351	3.8
168.00624	88.9
169.01364	11.4
297.06137	3.6
298.06409	0.7
315.07181	100.0
316.07544	8.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.2382
Annotation	Octadecanedioic acid
Peak:m/z	Relative Intensity
56.27920	0.6
59.01375	100.0
60.01705	1.3
71.01408	0.8
71.61331	0.7
77.22272	0.7
89.02464	1.0
89.90058	0.7
94.88154	0.7
105.01934	0.7
109.02926	0.7
121.02983	1.0
147.48936	0.7
158.63458	0.7
161.04550	0.7
186.04805	0.7
225.22476	0.9
238.50867	0.7
253.09270	2.2
253.21715	6.6
271.22766	44.2
272.23184	3.2
313.23828	19.0
313.27240	1.4
314.24213	1.8
324.86456	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.0544
Annotation	Unknow
Peak:m/z	Relative Intensity
50.53156	1.1
50.70139	1.3
54.77200	1.2
58.99596	2.8
59.01362	2.2
70.08173	3.7
72.99288	2.8
74.99075	1.9
87.00873	23.7
96.95959	1.3
102.98568	2.2
114.31283	1.2
117.03416	2.8
120.99650	10.6
121.02987	1.4
122.03705	3.1
129.50514	1.5
134.03737	33.5
135.04385	1.6
149.06087	6.1
168.00589	1.8
175.04129	1.4
178.02650	3.6
178.68497	1.4
183.04831	96.4
184.05115	4.4
193.03328	2.7
193.05042	48.2
194.05312	2.5
227.03813	100.0
228.04103	5.6
236.05640	2.8
253.05280	1.8
271.06381	20.1
287.01923	2.3
297.04263	3.0
308.40765	1.4
315.05310	56.4
315.15454	2.4
316.01083	1.5
316.05670	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	313.0927
Annotation	Bungeiside A
Peak:m/z	Relative Intensity
55.72367	0.4
65.80627	0.4
71.38399	0.8
76.04642	0.4
79.05530	7.2
81.03457	4.9
88.49775	0.5
105.03449	1.1
122.03732	0.5
123.04518	100.0
124.04852	3.8
133.55380	0.4
137.30791	0.4
140.95316	0.5
149.02425	11.9
166.44077	0.5
167.03477	18.7
168.03822	0.8
218.63095	0.5
244.43825	0.4
245.68628	0.5
276.20361	0.5
285.04004	1.8
313.04099	2.8
313.09265	60.9
314.09592	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	313.0925
Annotation	Cuneataside B
Peak:m/z	Relative Intensity
59.01374	2.8
59.01636	0.4
71.01381	2.5
71.60723	0.7
73.02940	0.6
73.52539	0.4
78.95914	1.1
85.02949	1.7
89.02419	0.6
92.79881	0.4
93.03442	1.4
95.01384	0.6
96.96011	3.1
96.96943	1.2
101.02425	1.8
107.05017	1.8
108.02162	8.7
109.02959	5.5
113.02441	1.0
113.03539	0.8
114.01965	0.6
118.49950	0.4
121.02948	1.1
122.03731	100.0
123.00896	0.7
123.04066	2.6
123.04561	1.8
131.04599	2.8
133.05054	1.3
135.04527	0.7
137.02464	2.1
137.06142	0.5
144.02956	0.8
147.04488	1.2
151.03987	1.7
165.05508	2.1
166.02699	27.9
167.03427	4.1
177.05484	0.5
216.08745	0.5
253.09288	1.3
258.55927	0.4
269.10214	1.2
313.09262	42.5
314.09576	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.0716
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01366	0.7
71.01363	0.3
81.51102	0.2
93.03493	0.2
98.19852	0.6
112.98785	0.3
121.02951	100.0
122.03281	3.8
128.93443	0.2
156.09283	0.2
166.02769	0.2
178.02869	0.2
180.05820	1.2
181.06570	4.5
182.06902	0.4
212.22575	0.2
225.05569	6.1
226.05833	0.6
253.09290	0.8
259.96368	0.2
269.08102	0.4
269.13004	0.2
303.94901	0.2
305.48764	0.2
313.07147	16.8
313.19934	0.3
313.23727	0.4
314.07553	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	313.0719
Annotation	CHEBI:68130
Peak:m/z	Relative Intensity
59.01375	2.6
69.53226	3.1
69.53632	1.7
75.00844	1.0
76.79953	0.6
79.57634	0.7
85.02923	0.7
91.05548	0.9
93.03490	1.5
96.00913	0.9
96.95994	1.0
98.20799	0.7
101.04017	1.1
105.03480	0.9
108.02161	2.7
109.02947	45.7
110.03310	1.1
117.03452	1.3
119.05026	7.6
121.02947	4.2
122.03723	3.9
123.04516	42.5
124.04838	1.7
129.03468	8.9
129.40172	0.7
130.04259	1.3
133.02954	1.3
135.04488	1.7
137.02458	1.4
145.02953	14.8
146.03734	21.3
147.04515	100.0
148.04843	4.5
158.03760	1.7
159.04503	32.6
160.04849	1.2
161.02449	1.5
166.02713	1.7
166.80830	0.6
167.03473	23.4
191.05583	1.2
198.11372	0.9
202.26285	0.8
203.03555	1.0
239.06873	1.0
252.08093	1.0
253.09276	1.4
266.95544	0.7
268.07388	1.2
269.08173	63.3
270.08560	5.3
313.03546	1.7
313.09372	22.5
313.12918	1.6
313.16760	0.9
314.09598	2.7
314.13208	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.0713
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01365	2.5
59.65579	0.5
69.59760	3.9
72.59275	0.5
77.56007	0.6
89.02435	0.9
93.03456	0.7
98.19913	1.0
109.21325	0.6
119.03486	0.6
121.02945	1.0
132.02135	0.9
151.00302	0.6
187.84207	0.5
245.19107	0.7
253.09193	2.9
255.02951	85.1
256.03308	6.6
269.12134	0.6
270.05258	6.2
271.05820	0.7
283.02451	33.4
284.02618	1.9
295.16315	0.6
298.04785	100.0
299.05075	8.9
313.07141	45.6
313.17432	2.6
313.23587	0.7
314.07571	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	311.2225
Annotation	Unknow
Peak:m/z	Relative Intensity
70.10854	1.4
70.11259	0.9
72.96085	0.6
79.35783	0.5
97.06561	0.7
106.07054	0.5
123.08167	0.8
125.06121	0.5
125.09737	3.2
130.75073	0.5
139.11281	0.8
141.09161	1.5
141.12852	1.2
153.09215	1.5
155.14400	1.6
155.48534	0.6
157.12344	1.0
167.10760	1.5
171.10294	1.3
200.10515	2.0
249.22307	1.5
265.21777	1.2
267.23322	1.0
275.20334	0.6
293.21204	6.7
311.22256	100.0
312.22574	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	311.2225
Annotation	Unknow
Peak:m/z	Relative Intensity
57.93943	0.7
59.01380	6.6
70.12228	1.6
83.01407	1.0
97.06563	1.7
98.20524	1.4
106.32251	0.7
113.06899	0.7
119.85452	0.7
123.08099	1.1
125.06155	0.8
125.09703	4.7
139.11270	1.2
141.09195	1.6
141.12833	1.1
153.09210	1.7
153.12842	0.7
155.14404	1.7
157.12294	1.0
171.10263	2.4
193.93123	0.7
200.10489	1.8
209.11919	1.4
210.12215	1.7
211.12381	1.6
211.63643	0.8
248.44179	0.7
249.21959	2.5
264.12204	0.9
265.21805	0.8
267.23203	0.9
275.19681	0.9
293.20691	11.5
311.22244	100.0
312.22614	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	311.2225
Annotation	Unknow
Peak:m/z	Relative Intensity
51.78345	0.6
57.03434	1.5
59.01367	0.9
69.33360	5.4
97.06620	0.7
97.88146	0.6
99.08152	1.6
107.79851	0.6
110.37079	0.7
111.08163	0.9
113.09721	2.6
121.10195	0.8
125.09706	1.0
129.09221	5.5
139.11266	2.0
140.12128	0.6
149.08311	0.6
163.11189	1.0
165.12784	0.7
167.10759	0.9
167.14413	0.9
169.12419	3.2
171.10262	9.2
181.12289	3.8
183.13829	0.9
185.11827	1.1
193.12263	4.1
197.11798	10.0
199.13400	4.6
209.11784	0.7
211.13382	15.9
212.13776	0.8
215.29117	0.7
275.20178	1.6
293.21213	18.8
294.21515	2.1
311.22256	100.0
312.22556	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	311.2224
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	1.4
59.01372	1.3
62.07151	1.1
69.03438	1.0
70.85672	1.0
70.89214	2.1
99.08146	1.7
111.08065	1.1
113.09711	2.4
125.09686	1.5
127.11275	3.9
129.09204	3.5
139.11295	7.2
152.65134	1.0
155.10732	1.3
162.65652	0.8
164.80363	0.8
167.10712	0.9
169.12347	1.5
171.10262	33.3
172.10654	1.3
179.09119	1.0
181.12361	2.6
183.10272	2.5
183.13837	1.3
185.11841	5.5
197.11826	5.2
199.13388	2.6
201.11337	6.0
211.13371	10.5
212.13649	1.7
250.68584	1.2
275.20090	3.0
293.21234	13.5
311.22250	100.0
312.22601	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	311.2225
Annotation	Unknow
Peak:m/z	Relative Intensity
55.12993	0.4
59.01383	0.8
81.37331	0.4
97.06609	0.5
113.09738	1.1
115.07623	1.4
127.07625	0.9
139.11252	0.4
143.03496	0.4
148.25931	0.4
167.14404	2.9
183.13916	2.1
195.13875	11.9
196.14253	0.6
211.13353	1.1
213.14948	1.3
229.28238	0.5
236.27766	0.4
242.15260	0.9
249.22258	0.6
265.21753	1.0
267.23300	0.5
275.20026	0.6
287.08795	0.5
293.21191	8.4
294.21326	1.1
311.22247	100.0
312.22589	9.9
312.26004	0.8
320.77979	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2225
Annotation	Unknow
Peak:m/z	Relative Intensity
54.60707	0.7
57.03429	1.3
59.01368	1.6
71.37942	1.2
113.09720	3.1
121.10233	1.0
125.09709	1.5
127.11246	1.0
139.11282	14.2
155.10645	0.8
163.11290	2.3
167.10750	0.9
168.11572	1.0
171.10242	17.6
185.11812	0.9
201.11504	0.8
211.13396	2.2
249.22256	3.0
249.41142	0.9
275.00620	0.9
286.92969	0.8
293.21213	51.9
294.21576	5.8
311.22247	100.0
312.22665	10.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2223
Annotation	Unknow
Peak:m/z	Relative Intensity
52.59779	0.6
57.03438	1.7
59.01375	0.8
60.28162	0.7
70.47102	1.8
77.99871	0.8
113.09719	0.9
121.10206	1.4
125.09699	3.9
127.11270	5.4
139.11275	13.5
140.11627	1.0
141.12886	0.8
149.12564	0.9
153.09152	1.1
155.10776	2.6
171.10255	64.3
172.10608	3.6
183.10236	7.2
185.11812	15.0
193.12358	1.2
201.11308	9.8
259.89227	0.8
275.20169	6.5
293.21188	25.8
294.21570	1.6
311.22220	100.0
312.22614	9.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2224
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	1.7
59.01372	8.3
69.37276	6.3
69.37690	2.0
71.01363	0.8
72.17542	0.8
79.06249	1.0
97.02984	0.9
97.06568	2.2
113.09725	8.6
125.09737	1.7
139.11278	21.6
167.10739	1.2
171.10262	30.1
172.03818	1.0
172.10626	1.6
173.10747	2.0
179.10585	1.0
179.14505	1.1
185.11835	3.8
186.12132	0.9
188.63304	0.8
195.13960	1.7
197.11856	1.1
211.13365	20.9
212.13765	1.2
223.13365	12.0
242.94568	0.8
249.22043	1.2
293.21198	100.0
294.21539	9.3
311.22229	34.3
311.29724	1.1
312.22604	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	311.2225
Annotation	Unknow
Peak:m/z	Relative Intensity
69.97977	3.7
71.05003	1.5
80.75320	0.7
98.20509	1.4
109.13859	0.7
125.09729	1.1
139.11240	1.8
154.09978	1.7
177.12843	3.8
195.13966	3.9
196.14481	0.7
201.23825	0.7
211.13524	1.1
249.22121	3.6
278.49118	0.8
293.21210	77.5
294.21539	6.9
311.22260	100.0
312.22592	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	311.2015
Annotation	Longithorone K
Peak:m/z	Relative Intensity
59.01373	1.2
64.41903	0.3
69.57390	1.6
71.01365	0.3
79.95741	0.6
90.29569	0.2
91.14732	0.3
96.95984	0.4
98.19947	0.5
98.95603	1.2
101.02470	0.4
129.58188	0.2
133.06575	2.0
149.09708	100.0
150.10043	5.4
170.00475	0.3
177.78915	0.3
180.47003	0.4
183.01183	12.7
184.01947	2.3
216.00931	1.1
293.21506	0.3
311.16833	31.6
311.20187	55.5
312.17145	3.8
312.20538	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	311.2224
Annotation	(plusmn)9-HpODE
Peak:m/z	Relative Intensity
55.42172	0.9
57.03444	1.4
57.55442	0.8
59.01381	13.5
61.98825	0.9
65.06686	0.8
71.05016	1.5
71.62318	1.3
83.01424	0.9
83.05025	1.8
84.04634	0.9
85.02972	1.0
87.25004	0.9
97.06567	1.1
99.08136	0.9
111.08153	2.1
113.09724	1.4
123.08167	1.4
125.09752	1.3
139.11258	2.6
141.12805	1.2
144.20039	0.9
149.09692	1.4
151.11295	4.5
153.12860	1.9
157.08687	4.2
162.97762	0.8
168.84093	0.8
169.12221	0.8
171.10179	2.2
177.12816	1.4
179.14293	1.3
185.11775	1.1
193.12386	0.8
195.10255	3.5
195.13791	1.3
204.58531	0.9
210.74161	0.9
211.13429	0.9
213.11278	1.0
223.13506	1.5
225.14919	0.9
230.38086	1.0
243.30298	1.0
249.22258	4.3
251.11319	2.1
275.20099	1.2
293.21207	92.0
294.21509	9.8
311.22253	100.0
312.22586	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	311.2226
Annotation	9(S)-HpODE
Peak:m/z	Relative Intensity
50.81690	1.9
57.03442	4.3
59.01379	13.6
70.46899	5.1
79.94779	1.6
97.06556	3.0
100.97789	1.6
123.08134	2.6
125.09737	13.4
140.67981	1.7
141.12830	2.5
149.09721	2.6
183.01175	17.7
185.11812	26.8
197.02829	3.6
197.11815	6.3
249.22183	2.9
251.11305	2.3
260.55841	2.0
264.68573	1.9
293.21201	100.0
294.21542	12.2
311.16824	38.7
311.22235	12.7
312.17255	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	311.1862
Annotation	(+)-Neomethynolide
Peak:m/z	Relative Intensity
59.01101	0.9
59.01378	12.7
61.98824	0.9
69.87778	3.4
71.01371	1.3
71.99836	0.6
75.00861	0.6
76.80722	0.5
83.09944	0.6
85.66773	0.7
97.06608	0.8
99.57916	0.6
101.02415	0.8
104.28413	0.7
113.09719	0.7
116.37949	0.6
121.03015	0.8
122.03765	1.2
135.04477	0.6
136.05261	1.0
139.11272	0.7
157.08701	2.0
161.04535	0.8
167.14388	1.7
173.18652	0.6
193.15999	0.6
203.37476	0.7
207.17522	0.7
211.13306	2.0
223.20694	2.0
249.18613	5.7
251.11249	2.0
258.10626	0.6
267.19635	100.0
268.19949	9.2
275.16449	7.2
293.17590	41.1
293.21030	3.5
294.17929	3.6
294.21085	0.8
311.18610	43.8
311.22195	14.6
312.18927	4.1
312.22644	1.5
334.54230	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.1167
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01370	0.8
70.36224	1.1
79.95744	1.0
81.76080	0.3
84.48498	0.4
85.06583	0.6
96.96004	100.0
98.19947	0.6
99.08154	0.9
106.74097	0.4
130.20506	0.3
135.87827	0.4
146.81386	0.4
185.15349	1.0
203.80144	0.4
213.14981	0.9
231.15970	7.0
232.16257	0.5
311.08124	3.5
311.11636	43.1
312.11954	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	311.1344
Annotation	Unknow
Peak:m/z	Relative Intensity
51.24161	0.5
52.64919	0.5
55.01880	0.6
58.66214	0.6
59.01376	100.0
60.01714	1.1
61.98828	1.4
71.01379	8.4
71.60875	0.7
73.02962	3.0
75.00861	0.6
78.95910	1.8
83.01395	1.4
85.02935	4.6
87.00879	1.1
89.02452	2.4
93.03447	6.8
95.01381	0.6
96.96012	1.1
99.00903	0.9
101.02432	8.7
101.03001	0.8
102.88374	0.6
109.02975	1.6
111.00902	0.9
113.02415	3.7
119.03516	0.7
119.04984	1.2
127.03918	0.5
131.04694	1.0
135.04559	2.5
137.02463	1.1
143.03432	0.7
143.05072	1.0
149.06105	1.3
159.03059	0.7
161.04562	8.9
161.06044	1.4
163.03973	2.7
172.58302	0.6
173.04578	0.7
177.05577	3.6
179.05684	0.6
188.04890	0.7
189.05557	9.2
190.05988	0.8
191.05704	2.3
206.95590	0.6
207.06671	1.0
213.01408	0.6
221.04619	1.9
251.00006	1.3
251.11345	21.8
252.11813	1.2
311.07800	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	311.1135
Annotation	Unknow
Peak:m/z	Relative Intensity
55.18626	1.0
59.01376	100.0
60.01712	1.9
61.98805	1.5
68.94647	1.2
69.35055	9.8
71.01376	5.7
72.99305	1.1
73.02934	2.4
83.01375	1.5
83.62331	1.0
85.02931	3.0
89.02427	1.1
91.93158	1.2
93.03432	1.5
94.84017	1.2
96.95992	3.1
98.95588	1.5
99.00855	1.4
101.02438	5.8
107.01333	1.1
110.24228	1.0
113.02415	2.9
121.03008	1.2
137.02406	3.9
149.04500	1.0
153.96220	1.0
161.04532	4.4
166.02670	5.8
269.10394	8.3
311.07477	1.7
311.11075	4.7
328.63840	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.1169
Annotation	Unknow
Peak:m/z	Relative Intensity
53.59086	0.3
54.67181	0.2
69.38575	1.8
69.38978	0.6
72.22772	0.2
79.95739	1.1
85.06600	0.7
88.60728	0.2
96.96008	100.0
97.95911	0.3
99.08155	0.8
111.00007	0.3
129.09219	0.4
185.15424	1.0
213.14880	0.6
231.15976	8.9
232.16292	0.6
311.11664	50.0
312.11957	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	311.0982
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	41.5
67.97873	2.3
69.30703	20.1
71.01379	20.5
73.02934	6.9
75.58504	2.0
79.95739	13.5
89.02443	30.6
93.03492	2.7
94.22590	2.3
95.95233	11.2
96.96003	100.0
98.19895	4.1
99.00880	16.1
101.02441	19.3
107.05022	6.5
107.14750	2.6
125.02446	2.3
131.03485	6.7
149.04521	10.9
154.41054	2.1
161.02452	5.5
185.11720	2.9
191.05597	6.6
199.13228	2.3
216.98100	2.5
231.12341	6.1
251.11220	3.0
263.50894	2.3
311.09152	25.9
311.13177	58.3
312.09726	3.7
312.18311	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	311.1134
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	0.7
59.01376	100.0
60.01732	0.8
69.50226	4.2
71.01382	7.1
72.99313	0.6
73.02943	2.4
83.01405	1.1
85.02950	3.2
93.03474	1.9
96.95988	4.6
98.95596	4.6
98.96257	0.8
99.00838	1.2
101.02439	5.3
109.02929	0.6
113.02451	1.1
119.05064	1.2
134.03752	2.7
137.02446	2.5
143.03455	0.6
159.03001	0.9
161.02538	0.7
161.04553	4.0
173.04506	1.4
193.05069	1.8
194.07175	0.6
224.09450	0.6
269.10297	3.5
272.56946	0.7
298.42941	0.7
306.53644	0.6
311.10715	1.6
311.15155	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.0981
Annotation	Vicianose
Peak:m/z	Relative Intensity
59.01376	88.4
61.98830	3.7
63.76283	4.1
66.89432	3.8
69.35168	13.8
69.35588	18.0
71.01382	54.7
72.99315	21.0
73.02943	22.7
75.00864	15.1
79.95751	4.9
82.73412	4.1
83.01389	4.2
85.02970	6.1
87.00873	4.7
89.02438	100.0
93.03440	4.3
96.96015	18.9
99.00873	55.0
101.02453	59.3
107.15961	5.2
113.02463	8.9
119.05025	22.3
121.02946	52.5
131.03490	14.8
135.04512	4.5
149.04543	50.0
161.04413	6.0
162.77380	4.2
163.03978	36.8
165.04053	41.2
174.36124	3.7
189.03960	6.5
191.05600	21.9
236.81947	4.1
311.07947	13.1
311.11649	22.1
311.15317	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	311.0772
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	4.5
62.26126	0.6
69.48885	2.6
69.49310	1.9
71.01379	2.7
73.02945	2.0
75.00880	3.3
86.95246	0.6
87.00874	17.5
89.02441	4.9
90.91224	0.5
93.03452	1.1
95.48524	0.6
96.95993	1.5
99.00849	3.3
101.02458	1.5
105.01933	17.7
119.05024	59.3
120.05339	2.7
124.35934	0.7
130.44957	0.6
130.68138	0.5
131.03476	1.4
134.03723	0.7
135.04549	4.9
147.02986	6.3
149.04553	17.3
161.02383	1.2
163.04001	53.5
164.04366	2.1
165.04031	100.0
166.04333	3.1
179.03516	4.0
221.04567	0.9
225.02127	0.6
309.31030	0.6
311.07715	3.5
312.08636	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.077
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03814	0.8
59.01382	5.4
63.17178	0.7
69.33220	3.8
69.33642	3.1
71.01377	3.5
71.15810	0.7
72.99323	0.9
73.02940	3.0
75.00875	2.9
75.66967	0.7
87.00871	19.3
89.02454	4.7
93.03468	1.3
96.96001	3.3
98.20593	1.3
99.00864	3.0
101.02411	1.5
105.01932	19.6
117.01969	0.8
119.05020	65.0
120.05344	2.8
131.03561	1.3
134.03728	0.9
135.04501	4.3
147.02985	6.3
149.04553	17.7
161.02444	1.4
163.04001	64.4
164.04337	3.6
165.04028	100.0
165.46794	0.7
166.00818	1.2
166.04390	2.4
179.03496	2.1
179.31564	0.7
190.39023	0.7
191.05594	0.8
219.35533	0.7
246.39198	0.8
311.02133	1.2
311.08200	4.2
311.11404	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.0703
Annotation	Antibiotic AA 57
Peak:m/z	Relative Intensity
56.31099	0.8
56.98040	1.2
58.99600	1.4
59.01385	6.4
61.37596	0.8
70.66783	0.8
71.01370	2.1
71.61289	1.3
73.02935	0.8
73.33578	0.7
74.02470	100.0
75.00872	1.6
75.02809	1.0
79.95750	0.8
87.00878	2.2
89.02439	1.9
95.01393	1.4
96.04539	4.1
96.96012	2.0
100.00431	1.3
102.32642	0.8
109.02924	1.4
111.00871	0.9
114.03813	2.7
116.01762	7.8
116.05061	2.4
119.05025	5.9
122.06124	1.7
128.01768	1.1
130.06622	0.9
132.04543	1.0
134.06129	1.0
135.04488	2.4
137.02431	1.2
146.06094	0.8
149.04523	5.7
150.05605	2.1
152.07166	6.8
158.06110	4.6
160.00748	1.8
161.04666	0.8
163.04018	8.8
165.03973	5.1
166.03297	2.3
171.05995	0.9
173.07198	3.1
174.83876	0.8
176.07158	4.8
177.05498	1.5
179.03468	1.3
184.04370	3.7
186.05627	1.1
191.05617	1.2
195.03572	0.9
210.05920	1.8
215.08278	4.8
221.04530	4.0
233.09283	0.9
251.11394	1.4
259.07181	3.4
277.08325	1.0
293.05969	1.0
311.07068	94.2
312.07358	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	309.2068
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00596	1.2
59.01348	0.9
59.62607	0.8
71.01395	0.9
77.17406	1.0
93.07063	1.2
97.06565	0.8
109.06575	1.1
111.08154	26.9
127.07666	1.6
129.68137	0.9
137.09749	1.0
137.27461	0.8
151.11317	1.4
153.12903	1.1
167.10811	1.1
169.12346	6.1
181.12306	2.2
183.13927	1.5
193.12358	1.4
197.11810	100.0
198.12158	7.3
199.13403	4.0
211.13393	12.1
227.12895	2.2
263.20172	7.0
265.18066	1.8
273.18503	2.4
291.19641	20.9
292.20007	2.2
300.74173	0.9
309.20685	37.6
310.20917	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	309.2069
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01851	1.6
57.03447	4.2
59.01372	4.7
61.26728	1.3
67.01898	1.7
68.13047	1.3
70.51611	1.7
70.51965	4.0
71.05014	1.8
80.02674	6.6
81.03445	3.9
83.01380	2.8
83.05019	18.4
84.02185	7.1
95.05031	1.8
97.02904	1.9
97.06565	4.0
98.19997	1.6
98.31361	1.5
98.54231	1.4
99.08136	4.2
104.88692	1.3
107.48836	1.4
109.06560	2.9
111.08150	3.0
115.07641	2.6
123.04517	2.4
123.08153	3.6
125.09721	6.6
127.11274	2.8
137.09695	28.3
139.11285	12.2
151.03880	1.9
151.11273	5.0
153.09213	3.6
153.12787	1.8
155.10780	25.3
163.11307	4.6
165.12825	7.0
167.10719	5.7
169.12328	1.7
171.10243	37.7
181.12300	3.3
183.13962	1.8
193.12358	13.1
193.15990	3.9
194.12534	2.1
197.11813	4.1
207.10297	2.2
209.11792	20.4
209.15324	1.5
210.12369	1.7
211.13377	3.1
247.20628	12.8
263.20236	3.1
265.21686	6.1
273.18585	3.8
278.45093	1.6
291.19638	100.0
292.20068	10.2
309.17429	3.8
309.20679	95.0
310.20953	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	309.2068
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	3.1
59.01369	1.9
69.03440	3.3
69.95429	6.4
69.95718	1.4
71.04996	2.1
83.04988	1.4
97.02948	1.3
97.06604	1.5
110.03676	1.4
111.08176	8.4
118.95224	1.4
119.08653	9.3
120.83085	1.3
122.10277	1.2
123.04542	1.7
125.09682	4.3
127.11267	2.9
137.09711	18.4
150.24657	1.3
151.11293	4.2
153.09172	2.4
153.12856	2.1
155.10786	3.8
163.11220	2.0
165.12816	3.6
167.10745	2.1
171.10257	59.8
172.10553	2.2
181.12323	2.0
183.10252	1.8
185.11806	15.3
197.11812	19.8
201.11270	4.9
209.15422	2.1
211.13370	5.8
213.11304	4.5
237.14853	1.5
239.21770	1.5
247.20573	5.0
273.18622	8.5
291.19644	100.0
292.20050	10.2
309.17215	2.6
309.20673	43.2
310.20966	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2069
Annotation	(9Z,12Z,15Z)-(7S,8S)-Dihydroxyoctadeca-9,12,15-trienoic acid
Peak:m/z	Relative Intensity
57.03449	23.3
59.01371	11.9
60.98971	2.4
61.30302	3.0
65.94728	2.4
71.01363	9.2
71.61659	5.2
80.02669	7.3
81.03438	3.2
83.05016	6.8
95.05022	4.6
97.06566	6.8
111.08128	7.9
113.09718	11.4
123.08160	13.7
125.09730	19.1
127.11253	8.0
137.09711	11.7
139.11250	8.2
141.12863	3.4
151.11292	38.8
152.08379	3.5
153.12788	4.5
155.10777	34.6
163.11246	5.1
165.12843	33.3
167.10738	10.6
171.08792	3.7
171.10252	73.7
172.10576	4.0
179.10733	9.1
181.12350	43.8
185.11826	70.7
191.10738	12.6
197.11827	5.2
209.11819	100.0
209.15114	4.0
210.12306	6.8
211.13522	3.4
247.20694	13.2
249.96074	2.9
263.20126	8.6
265.21695	8.9
281.21252	16.6
291.19629	42.5
292.20004	4.4
296.45721	2.6
309.17218	4.8
309.20615	61.3
310.20959	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	309.2069
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	2.0
59.01370	7.1
69.03432	2.3
69.27372	6.4
69.27809	10.9
71.05009	3.5
76.57678	1.7
83.05019	3.7
95.05017	2.0
96.95994	4.9
97.02959	7.8
97.06570	5.9
111.08150	2.7
113.04851	1.7
121.10213	5.1
125.09710	7.5
135.11781	2.7
137.09692	4.9
143.07150	9.0
147.11804	2.6
165.12743	2.4
171.10243	6.5
173.08133	8.6
185.11874	9.7
195.13855	8.4
207.13780	2.7
207.17477	2.4
211.13361	49.5
212.13736	2.4
221.15451	3.8
223.13422	2.3
223.16982	14.5
233.15532	9.2
235.16901	2.8
251.16493	53.1
252.16943	4.4
273.18542	8.8
291.19638	100.0
292.20053	12.7
309.20660	91.6
310.20972	9.2
318.65204	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2068
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02727	1.1
57.03446	1.4
59.01377	1.7
67.99587	1.1
69.03458	3.0
69.37902	8.6
71.05026	1.2
73.99566	1.1
75.21126	0.9
89.23059	1.2
95.05038	2.0
97.02936	8.0
99.00888	1.2
99.74543	0.9
109.06561	1.4
111.08143	3.0
119.08637	2.5
125.09743	3.1
137.09683	3.5
141.12852	1.1
151.04025	5.5
151.07643	8.6
151.11221	1.2
152.08427	9.3
163.11278	4.5
165.12801	6.9
171.10268	9.8
179.14366	2.3
181.12337	4.3
183.13834	1.5
184.07420	1.3
185.11787	1.9
190.10147	1.2
193.15984	2.6
195.10265	2.1
195.13855	1.8
197.11809	7.4
209.11806	2.0
209.15433	13.1
210.15704	1.2
223.13329	4.3
247.20639	8.3
252.09891	3.0
265.18011	2.5
273.18692	3.5
288.28055	1.1
291.17184	2.2
291.19626	92.3
292.19946	9.1
309.17065	23.7
309.20688	100.0
310.17438	2.4
310.21002	11.5
331.18472	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2069
Annotation	Unknow
Peak:m/z	Relative Intensity
53.10825	1.8
57.03437	2.3
57.70293	1.6
59.01385	1.9
62.13119	1.6
69.03418	3.5
69.58630	8.1
69.59034	3.5
71.05035	2.5
80.02687	8.5
81.03455	2.9
83.05024	23.8
84.02160	10.4
97.06578	3.1
99.08146	7.0
99.29530	1.9
102.40154	1.8
109.06610	3.0
113.09679	3.3
115.07620	5.5
120.95307	1.5
123.04495	2.2
125.09701	4.2
127.11257	7.0
137.09714	48.6
138.10104	2.7
139.11285	9.6
141.73169	1.9
151.11253	7.1
153.09178	6.1
155.10776	52.1
167.10764	4.2
169.12344	2.8
171.10266	53.7
172.10696	3.1
172.68523	1.8
193.12321	29.7
209.11829	4.0
211.13345	4.9
221.11887	2.0
247.20651	8.8
263.20026	5.6
265.21719	7.1
281.21310	2.7
291.19632	100.0
292.19958	10.9
309.20673	96.4
310.21024	9.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2069
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	1.5
56.25954	1.4
59.01361	2.9
69.03468	2.2
69.05341	1.7
70.36835	5.4
81.03448	2.5
83.01381	8.4
83.05023	4.4
97.06570	4.1
98.20003	1.9
123.04538	4.2
123.08139	3.8
125.06036	2.2
125.09703	11.6
135.08192	1.6
137.09653	1.9
139.11314	13.4
141.09180	1.7
151.11235	2.0
163.11263	7.0
165.12842	15.4
167.10704	4.1
171.10243	2.1
181.12314	4.5
186.03935	1.5
191.10768	3.4
193.15961	4.6
209.11806	60.7
210.12077	4.2
225.11353	1.7
236.09390	1.6
247.20667	13.4
248.20941	1.9
250.06093	1.4
253.06560	1.4
265.21667	4.7
273.18503	2.7
291.19647	100.0
292.19873	11.3
309.17139	2.5
309.20682	38.5
310.20923	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2068
Annotation	trans-EKODE-(E)-Ib
Peak:m/z	Relative Intensity
54.85686	0.6
57.03435	1.2
59.01366	1.4
64.33613	0.5
66.16004	0.5
71.07211	0.9
71.07558	1.2
83.04995	0.7
85.50806	0.5
97.06600	1.4
102.77799	0.5
123.08085	0.6
125.09692	4.6
127.11276	1.2
132.51428	0.7
137.09698	1.3
138.30580	0.6
139.11275	1.1
141.09184	1.9
153.09189	2.0
155.10773	1.2
171.10202	3.0
183.13821	0.9
199.09764	3.7
200.10535	4.9
201.11244	3.1
213.11189	1.5
247.20599	4.5
248.20920	0.8
263.20102	0.9
265.21710	1.6
273.18661	0.8
281.21243	0.7
291.19662	12.2
292.20023	1.2
300.60529	0.8
309.20682	100.0
310.21005	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	309.2069
Annotation	Unknow
Peak:m/z	Relative Intensity
51.17669	0.7
54.98275	0.7
57.03432	1.3
59.01376	1.4
60.72553	0.6
61.29318	0.6
68.83359	0.8
69.03468	0.7
71.38852	1.3
75.01612	0.7
89.55412	0.7
95.03416	0.8
111.08132	2.6
120.83942	0.7
125.09769	1.0
125.85143	0.7
127.11273	0.9
137.09708	1.0
141.09224	0.7
141.82819	0.8
151.11287	1.1
153.12827	4.6
155.10818	1.8
158.84355	0.8
163.52014	0.8
165.12866	1.3
166.09984	0.7
167.10699	1.7
169.12335	1.6
171.10324	0.9
179.14401	2.7
181.12317	3.1
187.28105	0.7
193.15909	1.2
197.11800	4.5
199.13329	1.9
202.12163	0.7
207.13847	2.3
215.12840	0.9
223.76346	0.7
227.12904	1.0
228.13579	1.0
247.20644	4.7
263.20215	0.9
265.21683	1.2
273.18640	2.3
281.21140	1.8
291.19641	35.9
292.19958	4.1
309.20682	100.0
310.21030	10.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2069
Annotation	Unknow
Peak:m/z	Relative Intensity
51.39619	0.5
57.03438	1.8
58.80348	0.6
59.01371	1.1
71.07116	1.1
83.26859	0.6
84.35297	0.6
85.46329	0.5
97.06565	1.6
101.56273	0.5
113.09737	0.9
114.13034	0.6
123.08140	0.7
125.06087	0.6
125.09737	3.9
126.10019	0.6
127.11295	1.4
137.09720	1.1
139.11324	1.4
141.09201	2.0
151.11287	0.9
151.28723	0.6
153.09224	1.2
155.10794	1.0
165.12833	1.9
167.14371	0.7
171.10266	3.9
181.12282	2.1
182.12828	0.6
183.13863	1.1
185.11746	0.6
193.16017	0.7
195.13736	0.6
199.09729	3.7
199.66479	0.6
200.10522	3.1
201.11337	3.3
211.13403	1.1
213.11378	0.8
237.22371	0.5
247.20734	4.7
263.20233	0.8
265.21652	1.2
273.18552	2.2
281.21072	1.2
282.21268	0.6
291.19644	21.2
292.20007	2.0
309.20682	100.0
310.21051	10.6
313.06433	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2068
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	1.5
57.75077	0.9
58.00573	1.0
69.03467	1.6
71.06992	1.1
71.07340	2.4
72.28384	0.9
83.05020	1.0
83.75615	0.8
85.94228	0.9
97.02945	2.5
97.06580	1.2
109.06572	1.2
111.08154	35.1
127.07632	1.4
141.09219	1.5
151.11337	1.1
153.12881	1.7
165.12872	1.6
167.10585	1.2
169.12355	5.7
171.10237	1.7
181.12373	1.9
183.13823	1.6
193.12328	1.2
197.11809	100.0
198.12181	5.7
199.13377	4.8
209.11871	1.2
209.15504	3.7
211.13374	10.3
225.14812	1.1
227.12894	3.6
233.15387	1.1
247.20572	1.2
251.16490	2.3
263.20062	5.4
265.18094	2.7
273.18588	3.3
291.19635	26.8
292.20099	1.5
309.20688	46.7
310.20999	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	309.2069
Annotation	Unknow
Peak:m/z	Relative Intensity
57.45760	0.8
70.93825	1.8
83.05010	1.0
89.69907	0.7
97.02969	4.7
109.06617	1.1
123.04554	1.6
123.08129	1.7
124.70660	0.7
137.09662	1.2
139.11301	1.2
151.11275	3.7
171.10133	1.2
177.12871	1.7
185.11824	1.4
195.13870	2.7
206.16248	0.9
214.41219	0.8
221.11865	3.9
239.12834	2.4
240.13777	1.9
247.20538	5.4
248.18527	0.8
248.21379	0.9
251.16525	1.0
273.18649	1.8
291.19638	100.0
292.19958	10.0
309.20679	52.2
310.21109	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	307.2276
Annotation	Palmityl Trifluoromethyl Ketone
Peak:m/z	Relative Intensity
59.01371	0.8
66.40098	0.4
70.75317	1.2
71.01401	0.7
96.96000	1.2
107.64995	0.4
113.09740	0.7
135.04520	2.2
137.53079	0.4
165.27380	0.4
179.03484	2.2
248.29355	0.4
307.22754	100.0
308.23080	10.8
325.33585	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.1189
Annotation	Abealpha1-3Manalpha
Peak:m/z	Relative Intensity
51.50561	0.9
57.03446	2.3
58.00579	1.7
59.01375	57.0
61.98815	3.0
69.35925	8.7
71.01377	30.8
72.99297	4.9
73.02931	3.0
74.02489	1.6
78.95895	1.7
83.01369	2.4
83.05011	1.1
85.02939	7.4
85.06577	1.0
86.78487	0.9
87.00873	1.5
89.02439	27.6
94.55869	0.9
95.01363	2.8
96.96007	2.3
96.96934	1.6
99.00873	1.6
99.04501	1.9
101.02437	23.6
104.27852	0.9
109.02950	19.5
110.03307	1.6
111.00919	0.9
111.04509	1.3
113.02453	11.5
117.01931	1.9
119.03492	12.3
128.03499	0.9
129.05559	13.2
131.03477	1.1
131.08250	1.9
134.34789	0.9
135.04510	14.3
136.04846	9.0
143.03432	1.2
147.03125	1.0
147.06625	7.1
149.04454	0.9
152.04279	1.2
156.10252	1.9
161.04509	1.8
163.03899	1.3
173.12910	7.6
179.03391	1.8
180.03835	2.3
181.03990	2.2
187.04095	1.9
191.03424	2.9
191.05551	1.1
199.10844	15.4
205.04987	1.9
249.00168	7.2
309.11853	100.0
310.12054	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	307.1915
Annotation	Corchorifatty acid B
Peak:m/z	Relative Intensity
56.28282	1.1
57.03445	3.6
59.01382	11.0
63.76630	1.3
69.45440	4.6
69.45861	5.3
71.01397	6.1
83.05013	1.6
87.08617	1.3
95.05043	1.8
95.74475	1.3
103.04034	3.2
104.98059	1.3
111.08096	1.4
121.03036	1.9
121.06654	1.8
121.23318	1.3
123.04433	1.9
123.08151	8.1
125.09688	3.3
126.15972	1.2
133.02942	1.7
135.04521	27.0
136.04762	2.0
137.09723	2.6
137.50774	1.3
139.11263	4.2
142.02667	1.4
151.11200	2.0
151.84081	1.4
153.09262	1.3
153.12837	1.8
155.10797	1.8
155.14421	2.1
161.02409	4.0
163.11301	1.4
172.71149	1.4
179.03488	27.4
180.03835	1.8
181.12416	1.4
191.10841	1.4
191.14456	1.7
199.13393	16.4
209.11772	2.7
233.15472	1.6
245.19023	12.6
247.08119	2.1
247.17009	1.5
248.66023	1.3
263.20129	3.5
271.16907	1.8
289.18088	47.6
290.18393	5.2
307.08240	5.1
307.19144	100.0
308.19434	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	307.1913
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03428	3.5
57.36106	1.0
59.01367	3.9
69.03414	1.2
71.01354	1.6
71.04994	1.0
73.02934	0.8
80.02671	1.7
81.03431	2.0
83.05034	0.9
95.05011	3.1
97.02935	1.7
97.06584	6.3
107.08651	11.2
109.06602	2.1
113.06092	1.1
113.09709	1.0
113.15087	0.9
119.08638	3.8
120.47115	0.8
121.10218	2.9
123.04461	2.2
123.08163	3.2
125.09718	13.6
135.04517	2.5
135.08157	3.3
137.09712	8.3
149.06020	1.7
151.11295	1.3
155.10806	1.1
163.11252	3.6
165.12804	2.3
171.10246	4.2
179.03493	2.2
181.12354	2.0
185.11821	5.7
191.14392	6.3
192.14771	1.2
199.09727	12.5
200.10422	4.4
207.10196	2.1
209.11803	7.4
209.15355	1.3
213.11250	4.2
217.16077	1.2
223.13382	1.9
225.11353	2.2
225.44746	1.0
226.11874	1.4
237.11264	1.1
245.19081	25.5
246.19566	2.2
263.20111	3.8
271.17001	2.7
289.18073	59.5
290.18405	6.5
307.19119	100.0
308.19400	10.6
308.93927	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1915
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03345	2.1
57.03603	1.2
59.01262	7.0
59.01599	2.5
59.45266	0.6
70.99199	1.6
71.01279	1.0
71.04930	1.1
80.02550	2.9
81.03316	2.7
81.03758	1.2
83.04893	2.9
91.31303	0.7
93.03352	1.0
95.04890	3.6
95.05531	1.2
95.38051	0.7
96.95919	1.0
97.02811	6.9
97.03478	1.4
97.06447	4.0
101.05919	0.7
105.18197	0.6
108.47378	0.6
109.06439	1.7
111.08012	1.2
113.09590	1.1
119.04874	0.8
121.06442	2.5
123.04380	5.4
123.08138	5.5
125.09590	1.9
127.07474	0.8
135.04506	5.3
135.08073	1.8
136.05185	0.9
137.09566	3.1
139.07556	0.9
139.11108	2.8
148.08813	0.8
149.09717	4.1
151.07504	2.1
151.11276	6.6
152.08281	1.3
153.09128	1.0
153.12685	2.8
155.10641	0.7
163.11140	2.7
165.12862	4.6
171.10292	4.8
173.09573	0.8
177.12689	2.6
177.24309	0.7
178.09848	2.2
179.03514	5.0
183.10144	1.3
185.11632	1.2
187.11209	0.8
191.10696	1.2
191.14403	7.8
193.12257	1.8
199.13274	2.4
203.14314	1.4
209.11815	23.5
210.12086	1.7
217.15926	4.0
225.38751	0.8
225.95934	0.7
229.15808	0.9
235.13284	1.1
237.11240	0.8
238.12025	2.4
243.17610	1.1
245.11867	1.5
245.19084	55.3
246.19376	5.3
247.16991	0.8
263.16605	0.8
263.20074	0.9
265.17996	2.1
271.17114	3.2
273.14883	0.7
289.18082	100.0
290.18481	11.6
307.08246	0.9
307.19138	35.3
308.19333	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1914
Annotation	Corchorifatty acid B
Peak:m/z	Relative Intensity
57.03452	20.3
58.18190	3.3
59.01370	12.3
70.24020	12.8
71.01366	10.1
80.02667	4.3
83.05022	8.3
86.25739	3.3
95.05016	6.1
95.43445	3.6
97.06579	27.6
98.19920	3.7
98.46672	4.0
109.02929	5.6
109.06546	6.0
111.08128	12.7
123.08136	3.7
125.09724	6.9
135.04543	4.5
137.02512	3.8
137.09715	5.6
151.11253	30.7
153.12769	6.1
155.10765	14.4
159.15555	3.8
162.60358	3.8
163.11206	8.1
165.12836	40.7
167.10782	10.7
173.09698	4.0
177.12869	5.1
179.03430	4.4
179.10710	9.8
181.12340	47.2
191.10828	26.8
191.14220	8.1
191.59615	3.5
205.12268	5.5
206.93526	3.9
209.11813	90.8
210.12248	5.8
211.13371	8.5
213.30962	3.4
224.75609	4.8
245.19112	45.9
263.20169	10.9
271.16998	6.0
279.19650	6.7
289.18042	47.7
290.18268	6.7
307.19122	100.0
308.19415	10.9
328.73862	4.0
329.17212	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	307.1914
Annotation	Unknow
Peak:m/z	Relative Intensity
50.30097	1.2
57.03438	3.1
58.94930	1.3
59.01382	11.6
62.34193	1.3
67.01936	1.3
71.01385	5.2
74.26507	1.2
75.86408	1.2
80.02672	5.9
81.03452	2.3
83.05033	6.0
84.02180	1.8
93.03457	1.6
93.07097	2.8
95.05035	3.3
96.96000	1.4
97.06589	5.5
98.03726	1.6
99.04535	1.8
99.08157	1.8
99.38847	1.3
103.03981	3.0
106.04233	4.5
107.08627	1.6
109.06590	4.4
111.08127	1.5
113.06078	1.8
121.06620	7.9
123.04533	2.1
123.08167	6.2
125.09723	15.2
127.07635	5.1
127.11265	1.6
135.04521	14.4
135.08154	26.4
137.09717	10.2
139.11275	2.1
149.09731	2.5
151.11299	5.3
153.09221	6.6
155.10788	2.4
161.02382	3.1
163.11208	1.2
165.12845	3.0
167.10768	2.6
171.10260	37.3
172.10596	1.4
179.03467	14.9
179.10777	1.7
181.12315	2.1
185.11816	27.5
191.14423	2.4
193.12317	4.1
199.13374	3.0
209.11903	7.4
211.13324	10.2
212.10464	1.9
221.15401	1.4
223.13528	1.4
237.15041	2.4
245.19141	14.1
246.19357	1.6
261.18600	4.3
263.20035	7.0
271.16934	3.2
279.19562	3.5
289.18085	56.0
290.18442	4.3
307.07877	2.8
307.19135	100.0
308.19504	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	307.1912
Annotation	Unknow
Peak:m/z	Relative Intensity
54.95496	3.4
57.03431	14.2
59.01362	9.3
63.13620	2.8
69.03469	3.3
70.89201	6.6
71.01369	13.5
83.05017	9.1
83.75380	2.8
97.06598	22.0
109.06599	5.0
111.08140	14.4
114.04695	3.7
121.06589	3.9
123.08276	3.5
125.09672	10.1
135.04544	4.9
137.09718	4.3
138.06830	3.5
149.09682	4.4
151.11249	27.8
153.09145	3.8
153.12898	4.3
155.10742	10.4
163.11279	6.9
165.12831	39.4
166.13243	3.6
167.10742	10.0
171.10292	6.6
173.40768	3.4
177.12866	5.1
179.10736	12.3
181.12331	49.5
185.11758	9.3
191.10724	23.8
191.14381	9.4
200.90388	3.2
209.11806	100.0
210.12088	8.3
211.13321	11.8
239.09265	5.7
243.77760	3.1
245.19080	39.5
261.18405	4.0
263.20108	13.3
271.16989	4.8
279.19495	6.6
289.18042	42.9
290.18387	5.8
307.19147	76.8
308.19312	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	307.1912
Annotation	Unknow
Peak:m/z	Relative Intensity
50.97309	1.1
54.01081	0.9
56.55578	1.1
57.03439	1.7
59.01365	2.6
69.03454	1.5
69.95281	2.1
69.95683	2.9
71.05014	3.3
80.02671	2.9
81.03455	3.0
81.19284	1.1
86.69230	1.0
93.00378	0.9
94.05550	1.1
95.05028	1.1
97.02936	2.2
97.06566	1.3
98.19956	1.5
99.13074	1.0
109.06595	8.0
111.04497	3.3
121.06596	1.4
123.04536	3.3
123.08125	1.5
125.09727	12.7
127.07650	1.9
137.06078	1.5
137.09718	13.9
141.12810	1.5
145.06563	1.4
149.06023	1.1
163.11317	4.7
165.12708	0.9
179.03479	1.3
179.10818	1.6
185.11816	5.9
191.14406	8.3
195.13916	1.5
207.10205	2.9
225.11305	4.0
245.19084	16.3
246.19469	2.0
247.16803	1.2
271.17050	1.7
275.04681	1.0
287.16382	1.3
289.18073	100.0
290.18439	9.9
296.07867	1.0
307.19135	37.5
308.19513	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1912
Annotation	Unknow
Peak:m/z	Relative Intensity
53.70337	1.4
55.01863	1.6
57.03440	5.1
57.52169	1.5
59.01366	5.5
67.01885	2.2
67.05512	2.0
69.03457	3.1
70.35967	6.2
72.98498	1.5
81.03437	4.5
83.01392	9.3
83.05012	4.4
93.83212	1.7
95.05046	3.3
97.02932	5.5
97.06570	10.7
103.38781	1.5
109.06580	2.3
121.06602	2.4
123.04522	10.3
123.08121	4.3
125.06060	2.7
125.08913	2.0
125.09725	18.2
133.23610	1.8
135.08138	3.7
137.09702	13.9
141.12808	3.8
149.06076	1.9
149.09694	1.6
151.11235	1.6
161.09723	3.3
162.10471	1.7
163.11261	18.3
164.11600	2.4
165.12788	2.7
167.10812	2.0
179.10713	2.0
181.12320	5.0
185.11807	23.9
186.12109	2.1
188.10878	1.6
189.12732	1.8
191.10724	4.6
191.14412	23.5
207.10260	10.2
209.11806	49.7
210.12073	3.6
211.13510	1.9
217.15921	2.6
225.11308	12.3
226.11781	1.8
244.06123	1.8
245.19057	44.5
246.19470	4.6
262.82513	1.6
263.20145	3.0
271.16998	4.5
287.16281	2.2
289.18060	100.0
290.18442	9.6
307.19067	45.8
308.19449	4.2
327.28183	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1913
Annotation	Unknow
Peak:m/z	Relative Intensity
50.86695	2.0
51.56840	2.3
54.32806	2.0
55.01863	3.9
57.03434	4.8
59.01360	4.4
60.23321	1.9
61.98822	6.1
65.03959	60.8
68.42753	1.8
69.34983	14.1
69.35398	4.8
69.56384	1.9
71.05013	37.0
86.69836	2.1
94.48143	2.0
96.96002	3.6
97.06588	71.0
98.06947	2.7
103.04057	2.6
109.06624	2.5
119.08633	15.2
121.06588	96.6
122.06915	4.9
123.08121	5.9
125.09718	46.0
126.10029	2.7
135.04512	13.7
137.09685	7.9
141.12823	5.1
144.28279	2.0
144.86215	2.4
146.66495	1.9
161.02396	2.8
165.12967	2.1
171.10229	2.0
177.06427	2.1
179.03511	15.0
185.11810	90.8
186.12079	5.6
209.11789	36.0
210.12117	4.2
211.13387	38.8
217.12082	1.9
235.13376	100.0
236.13664	10.0
245.19150	2.7
249.14818	2.3
289.18063	34.0
290.18390	3.2
307.15659	2.9
307.19104	45.3
308.19531	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	307.1913
Annotation	Unknow
Peak:m/z	Relative Intensity
54.07936	2.1
55.01878	4.6
57.03453	4.6
59.01373	5.8
65.03960	52.7
67.87206	1.6
70.89339	3.5
70.89716	4.1
71.01409	2.6
71.05015	37.6
83.05058	2.0
93.03461	6.2
96.95987	2.4
97.06584	72.2
117.07124	3.5
119.08675	15.9
121.06583	100.0
122.06915	4.8
123.08158	3.9
125.09708	44.3
135.04514	13.8
135.08174	20.2
137.09752	4.5
157.66603	2.2
169.08664	1.9
171.10242	15.3
179.03484	10.5
185.11809	85.2
186.12119	3.4
201.62885	2.0
209.11833	35.8
211.13383	35.5
212.13695	3.2
235.13367	86.7
236.13664	5.3
244.54117	2.1
245.19119	4.3
249.14948	4.1
289.18063	38.4
290.18365	2.5
307.19131	41.4
308.19382	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	307.1913
Annotation	Corchorifatty acid B
Peak:m/z	Relative Intensity
57.03430	0.5
59.01375	3.3
61.98813	0.4
65.12027	0.3
71.01366	1.6
74.01054	0.3
75.24399	0.3
75.94097	0.3
80.02681	1.2
81.03444	2.0
81.08903	0.3
83.05019	4.6
85.02950	0.5
93.03474	0.6
94.78057	0.3
95.01407	0.3
95.05025	1.6
96.96008	0.7
97.02953	0.3
97.06582	1.1
98.03735	0.6
99.04554	0.3
101.83800	0.3
103.04011	0.6
106.04234	0.3
106.12511	0.3
106.88112	0.3
107.05009	0.5
109.06570	1.9
110.03717	0.3
111.04543	0.5
111.08143	1.1
113.06089	0.4
113.09688	1.0
115.07616	0.5
120.79386	0.3
121.02946	1.1
121.10209	0.4
122.03738	0.9
123.00877	0.4
123.04507	0.9
123.08131	0.9
124.05202	0.4
125.06068	1.0
125.09754	0.4
131.33321	0.3
133.02988	0.4
133.71284	0.3
135.04521	6.0
135.08144	1.4
137.02429	0.6
137.09700	1.3
141.09198	4.4
145.06624	0.4
147.11823	0.4
149.06079	0.9
149.09654	0.7
151.11293	0.9
152.08371	0.5
153.09181	0.5
161.02426	0.8
163.11281	4.9
165.09232	0.7
165.12849	3.1
167.10741	0.7
177.09167	0.4
177.12790	0.6
178.09976	6.0
179.03487	4.7
179.10635	0.7
180.03880	0.3
180.11505	0.3
181.12334	1.5
183.13882	0.4
185.11961	0.4
191.10815	1.7
191.12729	0.5
191.14398	6.0
192.11334	0.3
192.14705	0.4
193.12273	0.5
209.11803	45.2
210.12178	2.3
211.13365	1.2
217.15863	0.6
219.13905	1.0
235.20775	0.4
236.10545	1.4
238.12054	2.4
244.87813	0.3
245.19075	7.8
246.19373	1.0
249.15054	0.4
251.19907	0.5
253.10846	1.8
261.18530	0.9
263.20193	2.4
265.17990	0.4
271.17072	1.5
279.19608	1.0
289.18066	26.9
290.18433	2.4
307.19119	100.0
307.98297	0.3
308.19452	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	306.9755
Annotation	Unknow
Peak:m/z	Relative Intensity
52.79118	0.4
54.03544	0.5
55.50371	0.4
56.69709	0.4
58.84749	0.4
59.01382	2.1
61.98826	100.0
63.99265	0.8
71.01380	0.5
71.60267	0.7
73.66525	0.5
121.02937	1.1
135.04515	0.7
136.96790	1.1
161.98924	1.8
162.99101	1.2
163.98677	1.8
164.96375	52.5
165.01958	0.8
165.92322	1.1
165.96515	3.3
176.98085	1.2
179.03494	0.9
206.97438	20.1
206.99428	1.0
207.97505	1.5
306.97473	19.5
307.93939	0.5
307.97473	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	307.0854
Annotation	CHEBI:91169
Peak:m/z	Relative Intensity
52.55920	0.4
55.66417	0.5
59.01377	34.2
64.81297	0.5
70.93634	1.0
91.53793	0.5
96.96004	100.0
105.82640	0.5
123.08138	1.3
167.10809	1.6
200.56294	0.5
227.12863	20.9
228.13197	1.3
307.08548	91.7
308.08868	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	307.122
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01365	0.8
59.96714	0.4
70.75982	0.7
71.01389	0.7
74.99062	6.2
75.96212	0.5
77.14936	0.2
83.04613	0.2
91.02205	2.6
93.00108	1.4
135.04562	1.9
143.05296	0.4
149.00931	2.3
159.08449	7.3
161.02371	0.4
161.06349	1.6
179.03514	1.6
192.98148	0.5
206.99669	1.4
209.01219	2.7
210.01262	0.3
217.07277	0.7
223.02808	49.9
224.02855	4.5
241.03908	0.5
245.19101	0.5
275.05978	0.3
289.07468	1.7
289.18039	2.0
291.09070	100.0
292.09195	12.7
307.12201	4.7
307.19104	4.1
308.12424	0.5
309.10144	1.1
316.20306	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1221
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03423	0.5
59.01379	3.2
71.01380	1.8
73.86877	0.5
74.99075	6.2
75.79717	0.5
91.02216	2.0
93.00120	1.9
97.06597	1.0
103.04025	0.9
123.08120	0.7
125.09666	1.9
133.02896	0.6
135.04520	9.0
137.09727	1.0
149.00958	2.3
157.04997	0.9
159.08461	7.1
161.02428	1.4
161.06323	1.0
179.03487	9.2
192.98077	0.6
206.99692	1.4
209.01305	2.5
209.11659	0.8
223.02814	47.2
224.02867	4.0
245.19043	2.6
247.08167	0.6
289.07495	2.8
289.18054	4.9
290.18323	0.7
291.09082	100.0
292.09210	11.4
307.08176	2.1
307.12164	3.4
307.19171	14.0
308.19440	1.3
309.10086	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	305.2484
Annotation	5(Z),8(Z),14(Z)-Eicosatrienoic Acid
Peak:m/z	Relative Intensity
59.01369	1.3
61.98804	0.5
64.80919	0.6
70.65476	0.5
70.65823	1.3
75.90694	0.5
75.91145	0.5
91.32907	0.6
110.68333	0.6
193.19252	0.5
305.24826	100.0
306.25150	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	305.1756
Annotation	Unknow
Peak:m/z	Relative Intensity
51.59645	0.4
57.03443	0.6
59.01141	0.4
59.01380	4.1
67.05537	0.4
70.89344	1.2
71.01392	0.6
80.02679	2.6
81.03442	2.3
83.05024	7.6
89.66909	0.4
93.03460	0.9
95.05019	1.9
96.96079	0.5
97.06593	1.7
106.04224	0.9
107.05054	1.0
107.08664	0.6
108.02164	0.7
109.06581	3.5
118.86861	0.4
121.02920	2.3
121.06593	0.8
122.03734	1.0
123.08173	0.6
125.06007	1.0
125.09723	2.8
131.96991	0.4
133.02927	1.9
135.04527	2.3
135.08147	6.1
136.05341	0.5
137.09734	0.4
141.01721	0.6
147.04543	2.7
149.06033	0.6
159.08153	0.7
161.06049	1.2
161.09689	1.0
163.11282	7.6
165.12817	3.9
175.07568	0.4
176.08412	6.4
177.09105	0.7
178.09956	4.5
179.10594	0.5
181.12292	1.3
185.11859	1.6
190.09979	1.2
191.10800	2.2
192.11536	1.3
193.12257	0.9
197.11882	0.7
205.12086	0.5
207.10283	3.0
207.13646	0.5
209.11806	92.2
210.12137	6.4
234.08910	0.5
236.10539	3.4
243.17549	2.7
245.15413	1.5
249.14731	0.7
261.18573	5.4
263.16635	1.1
269.15356	0.9
277.18161	1.0
287.16522	11.4
288.16791	1.0
305.17551	100.0
306.17865	10.6
306.21133	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.1756
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	1.4
59.01373	4.6
59.62617	1.2
69.03416	1.1
70.50801	1.2
71.05017	44.2
75.62161	1.1
81.03461	2.9
83.05015	2.0
88.83910	1.2
91.62660	1.2
93.03457	3.9
95.05021	20.6
98.03687	1.5
98.20749	2.5
106.04240	2.1
107.05054	1.7
109.02971	1.6
109.06587	19.9
111.04495	3.7
119.05023	2.7
121.06610	7.8
122.03784	1.5
127.07639	3.4
135.08125	2.7
136.05354	1.7
139.07668	1.6
147.04526	2.4
147.08163	4.9
149.06123	1.8
150.06876	2.6
161.06078	2.5
161.09648	1.4
162.23564	1.5
164.08426	1.7
165.09181	16.1
189.12831	18.5
189.19618	1.4
193.74988	1.6
205.15979	10.4
215.10712	1.4
231.13905	2.3
233.11778	8.1
243.17529	11.7
245.15688	1.8
249.14870	12.2
250.15601	1.4
261.18625	3.3
263.16571	2.0
269.15414	2.8
287.16519	93.5
288.16907	8.8
305.17566	100.0
306.17920	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	305.1757
Annotation	Compactin diol lactone
Peak:m/z	Relative Intensity
53.35544	0.7
55.01855	0.9
57.03450	2.5
59.01377	3.4
65.03968	3.8
69.03466	1.1
70.00387	0.7
71.05022	7.0
71.16346	1.2
75.02238	0.7
79.05531	11.6
80.02679	0.7
81.03487	0.8
83.05038	1.4
93.03473	2.5
94.04202	1.0
94.35517	0.6
95.05014	1.7
97.06582	14.3
105.03488	0.8
106.04256	9.5
107.05045	3.7
109.06596	2.6
117.07107	2.1
119.05011	1.7
120.05819	5.6
121.06607	4.4
123.08166	7.8
125.09724	18.9
133.06619	1.5
134.03708	0.9
135.08153	100.0
136.08444	4.1
137.09705	1.8
144.55956	0.9
151.11301	2.7
161.06049	1.3
162.06880	1.3
163.11302	2.1
174.08153	0.8
185.11853	2.8
189.12842	1.4
199.13461	0.8
205.15999	5.7
206.16203	0.8
207.10182	1.6
209.11855	1.7
221.11803	1.9
231.13846	1.3
233.11775	1.3
243.17514	1.2
249.14932	49.4
250.15326	2.7
263.16400	2.4
269.15469	2.2
277.18051	1.4
287.16519	11.5
305.17551	87.5
306.17886	9.7
306.21088	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.1504
Annotation	Unknow
Peak:m/z	Relative Intensity
51.71979	0.6
59.01374	16.5
69.35887	5.7
71.01373	1.7
78.28186	0.7
79.95739	1.4
83.05062	0.7
94.06641	0.8
95.03796	0.7
96.04544	1.5
96.05972	0.6
96.08189	1.4
96.96021	2.2
97.01691	2.3
98.19860	1.3
100.03941	0.7
102.83242	0.6
107.03726	1.0
108.04549	13.5
109.05335	2.2
110.06113	0.6
115.40475	0.7
121.05323	1.8
122.06100	3.5
122.78874	0.6
124.07677	43.4
125.08041	1.3
133.02994	1.1
135.03075	0.7
135.04483	1.6
136.07669	100.0
137.08040	4.2
138.09254	5.7
150.05571	0.7
168.06645	52.6
169.07024	2.1
170.47198	0.7
180.06642	19.6
181.06984	0.9
190.12332	3.5
218.15474	2.4
232.12173	0.8
233.12914	1.3
237.23871	0.6
245.12898	1.9
261.16122	2.2
305.10690	2.4
305.15060	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	305.1756
Annotation	Mikanialactone
Peak:m/z	Relative Intensity
59.01374	24.8
59.04402	2.2
61.98814	4.9
64.15796	2.3
66.43919	2.3
71.01380	2.2
73.02937	2.3
84.54195	2.4
87.98272	2.8
95.05033	2.7
97.84102	2.0
98.19885	7.5
99.33509	2.3
104.79703	2.4
105.07041	2.3
107.08646	4.4
108.85931	2.3
111.96445	2.0
117.39671	2.0
120.61568	2.1
123.08164	7.5
125.09700	5.8
129.78313	2.4
133.06511	2.8
135.04553	3.6
135.08163	8.8
137.09683	2.5
141.01720	7.4
151.11226	2.5
189.12746	2.9
190.05569	2.4
195.58304	2.0
207.13878	4.7
243.17540	22.1
261.18506	8.0
269.15436	3.9
287.16550	33.0
301.51462	2.5
305.17599	100.0
305.20987	5.6
306.17984	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	305.0697
Annotation	Unknow
Peak:m/z	Relative Intensity
58.67197	0.7
59.01374	40.0
73.56094	0.7
74.02483	0.8
79.95746	2.3
84.46791	0.6
93.03391	0.7
96.96004	100.0
97.06566	0.9
102.03064	0.8
109.02937	1.0
123.04522	0.7
125.02438	2.3
128.03522	2.9
133.62622	0.7
137.02449	2.1
143.04590	4.0
146.04604	0.9
147.08134	1.6
160.00572	1.0
210.08640	0.7
211.25668	0.6
211.41647	0.7
213.63860	0.6
219.06674	1.3
225.11301	25.0
226.11603	1.7
254.07782	1.1
272.08975	1.4
305.06964	91.5
306.07416	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	305.1367
Annotation	Unknow
Peak:m/z	Relative Intensity
55.49049	0.8
57.03439	2.2
58.25299	0.9
58.99629	0.9
59.01374	23.4
60.14694	0.9
64.92056	0.9
64.92375	1.0
69.03457	3.8
71.01366	0.9
71.05006	5.7
71.61802	1.4
81.03443	1.5
83.05012	1.5
87.68411	0.8
93.03439	1.5
95.05034	3.2
96.95980	1.2
97.06583	1.7
99.29158	0.9
109.06591	3.4
117.07107	1.5
121.06644	1.3
123.47649	1.0
125.09713	2.6
133.02930	1.3
135.08171	4.7
147.04541	1.3
149.09628	1.2
153.09198	1.2
165.09200	2.0
167.10779	4.5
179.10773	1.8
179.14401	3.8
189.12901	2.3
195.10387	1.0
195.13913	11.8
205.12314	11.1
209.11865	2.6
223.13374	100.0
224.13698	8.9
233.15428	0.9
242.85149	0.9
243.17534	2.8
245.11581	12.8
249.15007	1.6
261.18646	1.3
287.16522	20.3
287.61160	1.0
305.08215	1.6
305.13742	15.0
305.17563	31.4
306.14667	1.1
306.17700	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	304.0011
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	13.7
59.61676	2.2
61.98827	100.0
62.64373	2.3
69.43703	17.6
71.01380	27.3
72.01738	5.1
72.99289	6.3
78.95905	10.3
85.07671	3.8
88.04019	2.8
96.96002	39.2
96.96941	3.4
98.19872	4.1
99.05627	7.1
100.04034	16.9
100.05964	2.3
101.04377	6.9
113.03568	3.0
114.01978	3.0
118.05084	10.4
119.05451	2.1
132.98270	2.7
135.02950	2.8
141.07428	2.4
153.03098	4.0
156.16321	2.2
158.10062	2.8
160.01595	5.1
161.01231	5.2
161.98924	22.2
162.35574	2.1
162.98973	2.6
171.04108	2.9
183.07713	5.2
184.08054	4.1
187.10847	12.6
188.11220	16.1
189.11479	2.5
198.90549	2.5
201.08849	3.9
202.09196	5.5
203.99950	5.8
213.08664	3.2
214.09081	3.5
216.90645	4.8
219.09984	2.0
223.70720	2.4
225.05170	3.7
232.99783	5.8
241.12033	2.4
242.12135	5.8
260.13443	2.7
263.34708	3.8
263.84790	8.7
264.34729	4.5
264.84775	3.5
285.10892	9.8
286.06973	2.9
286.07672	3.6
286.11206	53.5
286.92072	2.4
287.11365	5.0
294.87100	2.2
303.32492	5.6
303.82751	18.9
303.99966	15.5
304.02811	5.3
304.09164	2.5
304.12222	19.3
304.32666	9.8
304.82693	6.0
304.92200	2.7
305.00513	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	304.1916
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02972	39.8
59.03318	0.5
70.89388	0.5
70.89709	0.3
102.75047	0.3
106.24088	0.3
168.13924	100.0
169.14252	5.3
188.26736	0.3
212.12883	2.7
213.11218	0.3
241.69075	0.3
304.19058	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	303.1086
Annotation	Unknow
Peak:m/z	Relative Intensity
51.34963	2.5
53.00315	2.6
58.00593	5.3
59.01377	95.5
65.23162	2.5
68.99786	4.3
69.03461	3.9
69.46057	22.1
71.01376	38.5
72.98928	4.9
72.99305	62.6
75.00864	20.9
75.32530	2.4
79.05500	6.4
83.01392	5.7
83.05017	3.6
85.02942	3.4
87.00880	3.0
87.69493	2.9
89.02440	77.7
93.03436	3.6
93.43533	2.8
95.05022	4.3
96.96008	3.7
97.02964	2.7
97.06577	26.9
98.19874	7.0
99.00862	15.7
99.04465	2.9
101.02420	3.6
107.05005	6.0
109.06583	9.5
111.08162	12.7
112.98817	16.2
115.00364	2.8
117.01932	39.4
120.05802	4.2
121.02984	3.6
121.06631	14.8
123.08156	7.0
124.01648	3.9
124.98830	5.9
125.02373	3.2
125.06022	12.4
135.03021	18.1
135.04523	5.5
135.08191	5.0
137.02440	6.3
137.06068	6.5
139.07655	20.5
142.99854	100.0
149.06081	26.0
153.05547	24.0
155.07135	3.8
155.10732	10.2
161.02357	4.1
166.06288	4.2
167.07118	36.3
173.00917	22.5
174.01698	25.6
179.07034	2.6
181.08691	16.7
183.06648	3.6
193.05029	9.6
210.05235	3.1
211.06105	6.5
213.07631	4.0
217.10785	7.8
225.07658	43.4
303.09189	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	301.2171
Annotation	Neoabietic acid
Peak:m/z	Relative Intensity
59.01376	0.3
61.98837	0.1
67.77126	0.2
85.20163	0.2
87.00898	0.2
98.20718	0.4
115.19285	0.1
183.13715	0.1
203.98090	0.2
229.44264	0.2
255.77013	0.1
301.21686	100.0
302.22028	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	303.0873
Annotation	Unknow
Peak:m/z	Relative Intensity
55.40628	0.6
57.03444	1.8
59.01366	2.1
61.27633	0.6
61.32495	0.6
61.83423	0.6
65.03957	0.9
69.03446	4.3
69.82470	3.1
79.95728	0.6
80.02663	0.9
81.03462	2.6
83.01384	15.0
83.05013	0.8
89.67871	0.7
93.03441	4.3
95.01377	1.3
95.05028	4.5
96.96006	1.2
97.02945	23.9
98.19946	0.7
99.04482	0.9
107.05029	2.0
108.02166	4.2
108.98193	0.7
109.01775	0.9
109.02953	10.2
119.76289	0.7
121.02943	5.4
122.03738	9.5
122.31367	0.9
123.04529	5.3
124.01693	1.8
125.02438	6.5
135.04556	1.4
136.01653	0.9
137.02435	100.0
138.03094	3.9
139.03987	6.7
145.02946	2.0
148.01680	2.6
149.02390	3.2
150.03230	7.6
151.03984	2.1
153.05579	1.2
154.02774	0.9
159.04538	1.2
161.02419	2.5
163.03972	3.3
164.01120	1.7
165.01929	6.5
165.05528	6.8
166.02724	3.7
167.03488	2.4
172.05394	0.9
176.04829	0.8
179.03439	2.2
183.04446	1.2
186.03197	1.4
187.04015	1.3
201.05542	4.5
202.06310	3.8
204.04260	4.5
215.07062	0.9
217.08653	5.1
218.09314	0.8
219.06621	6.6
220.07382	10.1
221.07788	1.0
225.05598	1.6
226.06238	3.9
227.03519	0.9
227.06992	0.7
235.09715	5.7
241.05058	2.8
241.08710	1.3
242.05710	1.2
243.06483	0.8
244.07419	9.1
246.05283	0.8
253.05128	0.9
259.09668	6.2
260.09833	0.7
261.07712	2.2
269.04639	3.2
270.05341	5.9
285.07687	7.7
288.06430	1.1
303.00470	3.2
303.08707	88.6
304.09015	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	301.1658
Annotation	Viridamine
Peak:m/z	Relative Intensity
55.85905	0.2
59.01377	0.2
60.97517	0.8
69.90648	0.6
69.91047	0.3
74.35991	0.2
74.99057	0.8
91.02161	0.2
91.61666	0.2
93.00140	0.3
99.64919	0.1
100.36853	0.2
118.96217	1.0
133.98532	0.2
134.68211	0.2
134.99388	5.2
135.99287	0.3
136.97325	1.4
141.07385	0.4
143.05304	1.3
150.98868	0.3
158.11726	0.2
159.08456	1.5
161.06392	5.8
161.16739	0.2
162.06706	0.3
187.04430	0.2
192.77632	0.2
201.04118	0.5
203.05630	2.8
204.05641	0.2
205.03551	0.8
215.05708	1.1
217.07181	84.0
218.07315	6.5
225.79726	0.2
261.06268	0.6
283.11905	0.5
283.15302	0.3
285.13449	34.6
286.13638	4.8
301.16571	100.0
302.16766	13.3
302.20920	0.2
302.21783	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.0343
Annotation	Bracteatin
Peak:m/z	Relative Intensity
59.01368	0.1
59.33971	0.0
65.00332	0.1
65.03970	0.0
68.99821	0.1
70.12527	0.1
70.12928	0.1
72.99322	0.1
77.40356	0.0
79.01868	0.1
79.66439	0.0
81.03465	0.1
83.01367	0.0
91.01900	0.1
93.03464	0.2
95.01360	0.4
97.02932	0.1
107.01399	0.3
108.02168	1.2
109.02949	6.4
110.03304	0.2
111.00863	0.1
117.03419	0.1
119.01379	0.2
119.05015	0.1
121.02960	0.2
122.53109	0.0
123.00883	0.2
123.04507	0.1
124.01663	0.3
125.02433	0.5
129.07082	0.1
130.04254	0.1
131.05046	0.1
131.06946	0.1
133.02948	0.2
133.04868	0.1
133.06540	0.1
135.00883	0.7
136.01706	0.3
137.02434	0.3
138.05571	0.2
139.05887	0.1
141.07021	0.1
143.05025	0.1
145.02940	0.2
145.06577	0.1
146.03702	0.2
147.00883	0.2
147.04541	0.1
149.02374	0.2
151.00348	0.6
155.04996	0.2
156.05765	0.1
157.03009	0.1
157.06569	0.4
158.03694	0.3
158.05956	0.1
159.04544	0.3
159.06477	0.1
161.02452	0.4
161.06148	0.1
162.03113	0.1
163.00366	1.9
164.01144	0.6
165.01898	0.4
167.05002	0.1
170.03693	0.1
171.04492	0.2
172.05206	0.1
173.02409	0.1
173.06047	0.6
174.03192	0.9
175.03966	0.2
175.05829	0.1
176.01137	0.1
177.01845	0.1
177.05522	0.1
182.03633	0.1
183.04517	0.6
184.05144	0.1
185.02492	0.3
185.06084	0.5
186.03203	0.5
187.03958	0.3
188.01158	0.1
188.04781	0.1
189.01923	0.3
189.05492	0.1
190.02719	0.1
190.99855	1.0
191.03491	0.4
192.00574	0.3
193.01157	0.1
199.03978	0.4
200.04781	0.3
201.01952	0.1
201.05544	1.1
202.02747	0.6
202.05992	0.0
202.99948	0.1
203.03474	0.2
205.01375	0.1
205.05057	0.1
211.03967	0.4
212.04663	0.1
213.01881	0.8
213.05518	0.1
214.02672	0.7
215.03465	0.4
216.00667	0.1
216.04211	0.2
217.01422	0.4
217.05013	0.8
218.05496	0.1
220.06137	0.1
221.06401	0.4
226.02733	0.1
227.03491	1.8
228.04163	0.6
229.01422	0.8
229.04999	1.5
230.02174	1.9
230.05315	0.1
231.02596	0.1
239.03564	0.1
242.02208	0.1
243.00407	0.1
243.02963	1.7
244.03694	0.6
245.04514	1.0
255.02953	2.1
256.03674	0.4
257.00992	0.2
257.04596	0.5
258.01654	34.1
259.01984	2.4
271.02444	6.3
272.03217	10.9
273.03983	9.5
274.04395	0.6
283.02466	1.0
284.02991	0.1
299.01968	0.2
301.03497	100.0
302.03833	8.1
304.02222	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	300.9989
Annotation	Ellagic acid
Peak:m/z	Relative Intensity
51.71308	0.2
56.38622	0.2
59.01373	0.9
59.67094	0.2
69.69614	1.6
75.00877	0.4
79.95692	0.3
84.29018	0.3
93.03416	0.2
93.25354	0.3
96.96011	0.5
102.84163	0.3
108.02164	0.3
109.02933	0.6
114.62452	0.3
117.03448	0.6
123.00869	0.3
127.07665	0.4
129.03452	0.7
133.02951	0.5
137.02490	0.3
145.02940	2.5
147.04507	0.4
151.00380	0.3
157.02977	1.3
161.02415	0.5
163.04002	0.4
173.02411	3.1
174.02747	0.3
185.02441	3.9
189.01949	0.9
199.00362	0.5
200.01152	0.4
201.01906	3.9
207.77106	0.3
208.33969	0.3
209.11832	1.0
213.01891	0.5
216.00639	0.3
217.01387	0.9
226.99818	1.3
227.03099	0.3
228.00566	0.7
229.01402	4.8
230.01854	0.4
244.00002	0.4
245.00937	2.0
254.99455	0.6
257.00858	2.4
258.01666	2.7
271.02551	0.3
271.99957	0.2
272.03217	0.8
273.00497	0.5
273.04074	0.7
283.99585	5.4
284.99976	0.4
299.99094	4.8
300.99893	100.0
301.03357	9.2
301.10727	1.2
302.00201	7.3
302.03555	0.4
302.16077	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	300.0179
Annotation	Unknow
Peak:m/z	Relative Intensity
52.87155	0.2
59.01374	0.3
70.46833	0.4
70.47182	0.3
70.63403	0.2
72.99304	2.0
75.00861	1.7
79.95735	2.1
80.96504	1.8
87.00861	0.4
93.03381	0.2
95.01394	0.4
96.00911	0.3
96.95998	2.4
107.01368	0.2
108.02160	1.5
109.02950	5.5
114.01987	0.2
115.05541	0.3
116.05061	0.5
116.36686	0.2
119.01405	0.2
121.02962	0.3
123.00851	0.5
124.01652	0.4
125.02439	0.7
128.05064	0.6
130.06609	4.2
131.03781	0.8
131.06995	0.2
132.04544	6.5
132.08199	0.5
133.02879	0.2
133.06599	0.3
135.00893	0.5
136.01654	0.3
137.02434	0.5
138.05598	0.7
144.04555	1.8
145.06621	0.2
146.03709	0.2
146.06123	1.2
147.04512	0.2
149.02432	0.4
151.00349	0.7
152.01181	0.2
153.01521	0.2
157.06586	0.3
157.83492	0.2
158.06093	8.3
159.04451	0.2
159.06485	0.4
163.00375	1.8
164.01160	0.5
165.01923	0.3
167.05000	0.2
173.06030	0.4
174.03288	0.9
174.05569	2.9
176.07146	2.1
183.04462	0.7
184.04065	0.2
185.02402	0.3
185.06059	0.6
186.03206	0.5
186.11391	0.5
187.04048	0.2
189.01976	0.2
189.05574	0.2
190.99857	1.2
191.03369	0.2
199.03955	0.4
201.05560	1.0
202.02730	0.4
202.05090	1.4
203.05293	0.2
211.03896	0.3
213.01913	0.5
214.02670	0.7
215.03427	0.4
216.04131	0.2
217.01427	0.3
217.05013	0.7
218.04597	0.2
220.06126	32.4
221.06483	1.6
226.01743	2.1
227.03485	1.8
228.04231	0.4
229.01428	0.6
229.04977	1.4
230.02127	1.9
238.01701	0.8
243.02934	1.5
244.03653	0.5
245.04523	1.0
255.02969	1.6
256.03796	0.3
257.01004	0.2
257.04556	0.6
258.01654	34.0
271.02441	6.0
271.05325	0.2
272.03223	10.6
273.04013	8.9
283.02469	0.9
283.12921	0.2
299.01816	0.2
300.01834	6.9
300.07965	0.5
301.03497	100.0
304.02188	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.0768
Annotation	4-(beta-D-Glucosyloxy)benzoate
Peak:m/z	Relative Intensity
51.74029	0.4
59.94859	0.5
68.55961	0.5
81.03444	1.1
82.96577	0.4
89.02475	0.5
93.03435	0.4
98.19802	1.1
104.32104	0.5
107.91203	0.5
108.02170	100.0
109.03002	13.0
110.03290	0.5
112.71212	0.5
113.03195	0.5
116.28964	0.5
118.29707	0.6
129.26807	0.5
131.45416	0.5
133.02934	0.9
135.00830	0.6
146.57057	0.4
151.04013	1.4
152.01151	52.0
153.01949	17.0
163.04059	0.5
165.01941	0.8
194.40073	0.5
215.79468	0.5
229.17015	0.8
247.04070	0.5
262.93439	0.5
299.07693	93.7
300.08148	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	299.2587
Annotation	(R)-10-Hydroxystearate
Peak:m/z	Relative Intensity
59.01376	20.6
63.47585	0.9
68.20205	1.0
71.01368	3.8
71.62870	1.3
89.02431	4.0
100.04635	1.0
101.02444	2.7
102.80988	1.4
108.02141	1.4
113.02451	1.4
117.05602	1.1
119.03514	1.6
119.05018	1.6
122.79444	1.2
123.40771	1.1
141.12819	1.7
168.47345	1.1
174.99200	3.9
176.40309	1.0
193.31737	1.3
196.47409	1.3
217.00249	16.0
218.00577	1.2
225.15013	1.3
227.03558	1.4
240.04225	2.6
255.02843	2.3
277.58804	1.4
281.24695	2.6
283.02222	1.8
284.03250	22.9
285.03561	2.0
299.05563	11.7
299.20422	22.9
299.25854	100.0
300.20483	3.5
300.26321	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	299.0558
Annotation	Diosmetin
Peak:m/z	Relative Intensity
59.01377	6.6
60.66401	0.4
63.02435	1.1
64.37409	0.4
65.00350	0.8
69.10457	0.3
69.24829	1.0
69.25266	2.4
70.14852	0.3
71.48074	0.3
73.26627	0.3
83.01418	0.9
85.02978	0.4
86.27469	0.4
89.02442	2.0
98.19891	0.6
101.02442	0.8
104.51930	0.3
107.01366	1.7
108.02187	0.8
113.02470	0.6
119.03497	0.6
119.05024	0.7
133.02928	4.5
133.03842	0.4
134.03781	1.2
148.01709	0.7
149.99602	0.7
151.00362	3.2
152.01183	0.5
153.01862	0.5
163.04034	0.5
165.01944	0.8
174.99223	1.8
183.04483	0.7
187.03819	0.4
199.03864	0.4
200.04796	0.7
211.04044	1.5
211.13307	0.6
212.04578	0.8
212.81767	0.4
217.00296	6.2
227.03540	1.7
228.03949	0.5
239.03441	0.8
240.04230	0.5
255.03018	1.6
256.03751	5.4
283.02466	1.3
284.03229	96.2
285.03571	7.6
299.05563	100.0
299.18735	1.0
300.05917	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	299.0769
Annotation	Unknow
Peak:m/z	Relative Intensity
52.48180	0.5
69.71407	2.6
81.03461	0.6
108.02171	100.0
109.02989	14.8
121.02945	0.7
123.04520	0.7
123.61578	0.6
133.02939	0.6
149.32468	0.5
151.04004	1.8
152.01154	60.9
153.01947	18.3
158.01314	0.5
160.43854	0.6
163.03983	0.8
165.01880	0.7
299.07700	79.8
300.08078	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	297.0646
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	0.9
79.95289	0.2
79.95715	1.0
85.02916	0.2
96.96005	100.0
97.95943	0.3
98.20633	0.4
98.95592	0.2
104.81546	0.2
113.03622	0.2
125.11023	0.1
131.04527	0.2
135.04517	0.3
155.10750	0.2
157.08632	0.7
171.10182	0.2
191.05615	0.4
211.48596	0.2
217.10757	1.0
218.33417	0.2
297.06476	16.3
297.24298	0.3
298.06784	0.8
316.15964	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.0649
Annotation	5'-S-Methyl-5'-thioinosine
Peak:m/z	Relative Intensity
52.94536	0.4
57.60624	0.4
57.69551	0.4
59.01375	2.0
63.18449	0.5
64.72431	0.4
69.62608	2.1
72.99303	0.6
75.00877	3.4
79.95732	1.2
85.02908	0.6
89.02420	0.6
96.96005	100.0
98.19973	0.6
127.11227	0.5
131.04613	0.9
135.02992	14.4
135.04550	1.9
136.87103	0.4
137.09674	0.8
155.10762	3.0
161.02383	0.7
173.11827	0.5
179.03508	1.0
181.08696	0.8
191.05649	0.9
199.09709	1.7
217.10791	4.7
297.06479	33.8
297.24265	0.7
298.06769	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	297.2433
Annotation	cis-9,10-Epoxystearic acid
Peak:m/z	Relative Intensity
59.01377	3.6
70.87685	0.8
71.01363	0.4
84.23259	0.3
85.02962	0.4
85.52187	0.3
87.56573	0.3
101.02444	0.5
101.11869	0.3
112.98562	0.4
125.09718	0.9
127.11258	1.1
127.41624	0.3
141.12830	0.8
153.12787	0.4
155.10786	2.8
161.04568	0.5
171.10280	4.0
183.01198	2.4
237.09798	0.9
253.21909	0.4
253.25179	0.5
261.22156	0.4
279.23273	6.9
280.23547	0.5
297.04590	0.6
297.15390	4.8
297.24319	100.0
298.15518	0.4
298.24692	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	295.2275
Annotation	13(S)-HODE
Peak:m/z	Relative Intensity
52.18354	0.7
58.62008	0.7
59.01374	7.2
66.44628	0.6
66.65413	0.7
68.99580	0.9
69.13546	0.6
69.29241	6.7
84.66261	0.6
112.98573	1.4
123.79995	0.6
141.12836	0.7
153.12923	0.7
169.12363	2.7
195.13844	0.9
196.14220	1.6
197.11890	2.1
197.14505	2.4
223.13530	0.8
224.13800	1.6
225.14037	2.3
251.23657	1.2
258.13889	0.9
263.59836	0.7
277.21542	8.9
295.22617	100.0
296.23129	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	295.2274
Annotation	(plusmn)12(13)-EpOME
Peak:m/z	Relative Intensity
50.65974	0.5
57.03442	1.2
59.01368	1.3
69.37137	4.5
69.37543	0.9
70.99969	0.5
72.10384	0.5
89.61040	0.5
113.09712	2.4
179.14420	1.3
195.13881	16.0
277.18781	1.1
277.21683	15.5
278.22043	1.4
295.22757	100.0
296.23126	7.2
307.83762	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.0648
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01366	0.8
61.98826	2.2
69.79365	1.2
79.95721	1.1
83.79019	0.2
85.61851	0.2
89.28532	0.2
96.96004	100.0
97.95914	0.3
104.16662	0.2
118.56965	0.2
128.75955	0.2
137.09689	0.2
155.10767	2.4
157.74393	0.2
171.10254	2.7
172.10649	0.3
194.13275	0.2
217.10786	8.2
217.14128	0.3
218.11162	0.5
235.10107	0.2
273.73181	0.2
297.06473	25.7
297.09863	1.4
297.24100	0.2
298.06870	1.3
305.06863	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2276
Annotation	Unknow
Peak:m/z	Relative Intensity
55.50219	0.9
55.82702	0.9
57.03441	1.2
59.01357	2.6
71.38387	1.1
71.38704	1.0
94.38832	0.9
117.37606	0.9
125.09684	1.7
150.33878	0.9
151.29408	0.9
155.14366	1.3
159.68179	0.9
161.58902	0.9
171.10257	40.5
172.10599	1.9
183.10246	2.2
195.13898	2.5
195.59419	1.1
233.22920	0.9
277.21704	48.2
278.22089	4.3
295.22757	100.0
296.23108	11.2
314.79858	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2275
Annotation	9(S)-HODE
Peak:m/z	Relative Intensity
52.97860	0.3
59.01376	2.4
63.23767	0.3
68.99552	0.8
69.44382	2.6
72.03945	0.3
72.99313	0.6
73.02918	0.4
76.52971	0.3
83.05019	0.5
91.79672	0.3
95.05048	0.4
97.06630	0.3
98.95592	0.6
101.02402	0.4
109.06596	0.4
111.08121	0.3
112.98540	0.8
127.11252	1.9
135.00873	0.4
141.12839	9.3
155.14404	3.8
231.21083	0.7
235.08272	0.4
249.22192	9.8
250.22458	0.9
277.21683	1.5
288.30200	0.4
295.22742	100.0
296.19669	0.5
296.23068	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	295.2275
Annotation	9(S)-HODE
Peak:m/z	Relative Intensity
57.03453	0.8
59.01351	1.0
68.94083	0.6
69.03465	0.7
71.01369	0.6
71.39233	1.5
83.04034	0.6
97.74400	0.6
110.52025	0.6
113.07928	0.6
113.92473	0.6
121.10187	0.7
125.09725	1.1
141.12845	1.1
148.38988	0.6
171.10257	29.1
172.10550	1.8
173.83464	0.6
179.05891	0.7
189.93211	0.7
195.13930	0.9
235.35788	0.7
265.95142	0.8
277.21695	36.3
278.22076	3.0
295.22760	100.0
296.23056	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	295.2275
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	1.0
57.69135	0.4
59.01372	3.7
70.99879	1.2
71.01375	0.6
99.08155	1.1
101.21921	0.5
113.09695	2.2
125.34275	0.4
129.09213	0.6
177.12851	0.8
179.14400	1.3
181.12352	1.0
183.13925	3.4
195.13884	25.0
196.14243	1.2
277.21698	25.2
278.22006	2.3
293.21259	0.5
295.22748	100.0
296.23080	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	295.1396
Annotation	Unknow
Peak:m/z	Relative Intensity
50.65954	0.5
59.01375	100.0
59.98480	0.5
60.01690	0.7
71.01379	1.5
71.15282	0.6
71.15614	0.9
73.02958	0.8
80.60980	0.5
85.02958	0.6
94.78266	0.4
96.96018	5.2
101.02467	1.8
110.06123	0.5
111.59684	0.4
115.09343	0.4
161.04506	1.0
189.34782	0.5
195.58760	0.5
235.11877	3.0
295.05316	0.9
295.08575	0.7
295.13907	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2277
Annotation	Coriolic acid
Peak:m/z	Relative Intensity
57.03436	3.6
59.01093	1.1
59.01372	13.8
61.98814	1.0
71.01376	1.3
71.61708	1.1
98.95572	0.8
113.09720	6.2
114.10045	6.4
115.10235	1.8
140.11534	0.9
148.72212	0.9
151.11261	1.3
168.11153	1.0
171.10239	11.8
172.10524	1.6
181.11189	0.8
195.13850	4.1
235.08206	1.2
251.22989	1.4
254.63370	0.9
259.54050	0.9
277.21701	21.3
278.21967	2.9
295.22147	100.0
296.22906	6.9
298.84827	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.082
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03438	1.1
59.01377	6.2
60.99302	0.6
67.01597	0.5
67.01891	4.8
68.22990	0.4
69.03440	1.5
71.01369	3.1
71.61525	0.7
79.01917	0.4
79.95735	2.1
80.96516	0.8
81.03449	1.0
83.05018	1.0
85.02946	0.8
87.00880	0.5
87.04514	0.6
90.03475	0.6
93.03452	26.6
94.03785	0.9
96.96010	11.1
100.00412	1.2
109.02952	0.9
111.00850	1.0
111.04522	5.1
121.02948	25.5
122.03271	0.6
133.02928	0.6
133.05035	1.8
134.13272	0.4
135.04529	0.8
137.02429	3.5
150.00171	2.2
155.03502	4.3
161.02440	1.9
173.04536	100.0
174.04880	3.2
191.05615	0.8
198.71005	0.5
215.09233	0.7
223.06071	0.9
295.00201	1.1
295.04968	3.0
295.08289	5.3
317.37680	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2121
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17339	0.3
57.03439	1.7
59.01363	0.4
67.27358	0.4
70.02632	1.6
70.86411	0.4
71.01353	0.4
74.15186	0.3
76.19564	0.3
78.32604	0.4
81.70004	0.4
93.95937	0.5
96.95979	0.6
97.06593	0.7
98.19812	0.4
108.02128	0.4
113.09674	0.4
123.08141	0.8
125.09725	3.9
126.28381	0.4
141.12851	1.2
149.09705	1.7
179.84465	0.4
185.11812	9.0
186.12201	0.5
193.15997	0.5
197.11743	1.9
207.34579	0.4
220.14694	1.0
221.15393	3.4
236.10509	2.3
249.22304	0.5
275.20120	1.2
293.21194	100.0
294.21542	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	294.0654
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	1.2
63.23197	0.1
63.68390	0.1
69.34336	1.2
69.34746	0.3
79.95733	4.5
95.95225	100.0
96.96011	1.2
98.20685	0.2
117.27990	0.1
205.05341	0.5
214.07814	0.2
233.04921	0.1
247.06488	1.1
252.06712	1.6
294.06519	6.7
295.06686	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2121
Annotation	Unknow
Peak:m/z	Relative Intensity
69.32958	2.3
69.33379	3.3
80.78309	0.6
83.05029	0.6
115.90559	0.6
125.09713	0.9
128.65648	0.6
139.11287	3.6
153.12862	1.4
159.22513	0.7
191.17998	3.1
199.13229	0.7
220.14651	1.1
221.15443	1.4
222.15891	0.7
224.14021	0.7
225.00116	0.6
236.10480	1.4
246.96570	0.7
247.20644	2.6
275.20367	0.9
293.21216	100.0
294.21478	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	293.212
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14913	0.5
54.08879	0.4
57.03432	1.2
63.17484	0.5
70.47018	1.5
74.53932	0.5
81.51261	0.4
89.01732	0.5
89.52101	0.4
97.06588	0.7
98.29823	0.4
123.08189	1.3
125.09720	5.1
126.10060	0.4
141.12839	2.0
149.09709	1.9
167.14415	0.7
185.11800	9.6
197.11803	2.3
249.22182	0.6
275.20175	0.9
293.21201	100.0
294.21536	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	293.212
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03231	0.4
57.03446	4.6
59.01361	2.2
63.09626	0.5
69.35476	1.4
69.35885	4.3
95.49572	0.6
97.06584	0.9
109.06591	0.7
113.09720	19.3
114.10103	0.5
114.42230	0.5
115.11799	0.5
121.10236	1.9
130.31563	0.7
135.71539	0.5
139.11267	1.7
167.10727	2.5
171.10266	2.9
179.10782	2.1
195.13913	2.4
229.70940	0.7
233.11201	0.6
249.22197	1.8
275.20190	3.9
293.21213	100.0
294.21506	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	293.2119
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67315	0.5
54.42307	0.5
57.03431	1.5
58.78318	0.5
59.01373	3.5
61.62851	0.5
69.03440	0.7
71.01366	0.7
71.18949	1.1
76.63028	0.5
78.95915	1.1
83.05020	0.9
123.08109	0.9
128.92743	0.5
135.60454	0.5
136.08954	1.0
139.11243	1.0
140.80663	0.5
151.11322	3.0
152.08234	0.6
153.09230	0.9
153.12823	0.7
169.12299	2.3
171.10165	0.7
179.10893	0.7
192.11609	1.1
193.15901	1.8
197.11806	30.7
198.12129	1.8
205.12254	1.0
220.14742	4.5
221.15421	10.0
222.15753	0.8
222.18619	1.7
231.21164	1.3
236.10513	6.6
249.18590	0.9
249.22150	0.8
250.21730	1.6
252.77611	0.6
275.20120	21.1
276.20474	1.7
293.21194	100.0
294.21518	10.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.212
Annotation	Unknow
Peak:m/z	Relative Intensity
53.84444	1.1
59.01369	3.0
61.76497	1.1
69.55601	7.0
75.07209	1.2
80.38532	1.2
121.10223	39.3
122.58414	1.2
171.10251	67.4
172.10547	2.7
177.16470	1.4
183.13895	3.3
185.11737	3.2
231.21138	4.1
261.15442	1.3
275.20123	100.0
276.20419	10.3
293.21204	74.2
294.13257	1.1
294.21591	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	293.212
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	0.7
59.01368	1.0
69.75550	3.9
98.20651	0.7
111.08110	1.3
113.09745	0.6
137.28963	0.6
179.14403	1.3
183.92842	0.7
194.76616	0.6
195.13887	15.2
196.14529	2.0
205.15811	0.8
223.13359	13.6
228.13628	1.8
256.13174	4.3
265.21640	1.1
275.20071	6.3
293.21201	100.0
294.21484	9.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.212
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	4.8
59.01377	5.8
63.57476	0.3
71.01382	1.1
71.09119	0.9
72.73214	0.3
88.04276	0.3
93.78336	0.3
95.05053	0.4
96.95977	0.9
97.06567	0.7
99.35371	0.4
101.56256	0.4
109.06573	0.8
113.09719	17.4
114.10083	0.4
121.10229	0.7
125.09709	0.5
139.11292	2.2
141.12805	0.4
149.09767	0.5
167.10797	1.9
171.10236	1.8
177.09248	0.6
177.12866	0.8
179.10759	1.6
185.11781	1.1
192.11499	0.9
195.13918	3.4
205.12308	0.5
218.09805	0.4
220.14655	6.2
221.15445	9.8
222.15845	0.6
233.10281	0.9
236.10497	7.7
237.10927	0.5
249.22229	1.7
261.12369	0.4
275.20081	3.2
293.21191	100.0
294.18158	0.7
294.21490	9.2
298.01804	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.1758
Annotation	Nordihydrocapsiate
Peak:m/z	Relative Intensity
55.30893	0.2
59.01378	0.2
70.51760	0.4
70.52158	0.5
71.01378	7.5
97.03391	0.2
103.19535	0.2
111.29407	0.2
127.07648	0.6
148.05261	1.0
149.06064	0.4
151.07631	0.4
164.08406	1.2
176.18887	0.2
177.09196	4.9
192.11539	6.6
193.11980	0.7
193.40625	0.2
205.12315	7.0
206.12744	0.4
207.13876	1.1
208.14264	0.3
217.08757	0.4
218.09462	2.1
220.14671	49.2
221.15439	100.0
222.15781	7.2
235.13335	0.9
236.10518	69.9
237.10901	5.2
293.14124	0.9
293.17557	9.6
293.20901	0.7
294.17892	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.1242
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05907	0.6
50.53773	0.6
55.01867	1.3
57.03458	0.5
58.00580	1.8
59.01377	42.6
66.99587	0.5
69.53720	3.4
71.01382	20.6
71.69164	0.5
72.99313	1.4
73.02955	1.1
82.03014	0.6
83.01380	2.3
85.02932	4.7
85.06583	13.4
87.00880	1.7
89.02439	23.1
95.01385	2.0
96.36131	0.5
96.95963	1.1
97.02905	0.6
99.00866	0.9
101.02442	12.1
109.04015	0.6
113.02456	7.9
113.06110	3.3
115.07613	1.7
119.03495	8.6
125.02415	1.4
127.07688	1.2
128.03520	1.2
131.07135	56.1
132.07472	1.3
143.03482	0.6
145.06204	1.5
155.45329	0.6
161.04578	0.7
164.07100	1.0
173.08177	1.5
179.05573	1.2
233.06618	0.7
247.07948	0.6
253.25241	0.5
293.12405	100.0
294.12796	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	293.0878
Annotation	Tuliposide B
Peak:m/z	Relative Intensity
55.01867	2.8
57.03436	1.0
58.00587	4.7
58.41101	0.9
59.01374	99.1
60.01697	1.1
69.03446	8.6
71.01378	90.9
71.62167	1.7
72.01671	1.4
72.99321	5.4
73.02940	11.3
74.02444	1.3
75.00858	3.7
78.77395	0.8
79.01871	1.9
81.03455	5.3
83.01377	5.1
84.04543	2.1
85.02946	8.2
87.00848	2.8
89.02438	100.0
90.02760	2.0
90.32578	0.9
95.01395	2.2
95.32655	0.8
96.95988	1.2
97.02937	12.8
98.06069	2.6
99.00863	12.1
99.04510	1.9
101.02442	10.8
107.03757	18.2
111.00883	1.5
113.02441	5.7
115.03989	6.4
117.03476	1.0
119.03516	1.3
122.06091	5.0
125.02436	35.6
126.02763	1.2
126.05575	2.5
128.03543	7.3
131.03488	7.8
137.78072	0.9
143.03453	3.6
145.02963	5.5
147.02907	2.0
149.04550	6.4
164.04500	1.0
170.30531	1.0
173.04491	1.5
187.07477	1.1
189.05484	1.3
191.05582	3.1
233.06665	21.3
251.10397	4.0
288.65265	1.0
293.08618	3.3
293.11520	14.0
293.21124	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	292.0826
Annotation	(+)-2,7-Dideoxypancratistatin
Peak:m/z	Relative Intensity
57.03440	2.0
59.01365	4.3
67.01890	2.8
70.02953	1.8
72.00912	6.8
72.04536	5.1
82.02977	76.2
83.01385	12.4
83.03277	1.6
84.01693	1.2
84.04544	10.0
85.02956	1.5
91.05531	4.4
92.90086	1.2
94.02972	6.1
96.05363	1.4
97.02911	1.8
98.02468	25.5
99.00867	2.7
100.04050	12.1
109.02934	5.1
110.02446	3.5
110.03281	3.6
111.03256	21.4
118.06628	8.4
122.03116	1.4
123.04539	4.6
124.04842	4.0
125.02432	3.8
125.05061	2.0
126.01952	2.8
126.02789	2.4
126.05215	1.4
127.00375	13.4
127.02861	3.8
128.03160	2.4
131.04976	1.7
137.02449	1.8
144.04532	1.8
144.08174	2.7
145.02916	3.0
147.03302	2.7
147.04512	34.1
150.02794	1.6
153.04402	1.7
154.04811	1.7
159.08168	2.4
164.07141	44.4
165.07474	2.9
184.07660	24.9
186.09203	13.9
187.07703	1.7
191.05614	2.8
202.08682	22.8
204.07446	3.7
206.05305	1.8
206.07916	2.5
208.05728	2.1
224.08850	1.3
230.08189	19.5
246.07675	100.0
247.08008	6.1
248.09076	10.8
274.07199	48.2
275.07489	3.9
292.08047	62.4
293.08466	1.9
313.11578	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	293.0666
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	100.0
60.01706	0.7
71.01398	1.8
71.61398	0.8
72.99313	2.3
74.02474	1.2
75.20673	0.5
75.49643	0.6
79.95732	0.6
84.04559	1.2
85.02963	0.9
86.02477	1.4
87.00871	2.6
89.02475	1.5
93.03492	1.1
96.96014	2.6
98.06155	1.2
101.02453	1.0
101.03580	1.9
105.01933	7.4
107.03770	14.9
107.04438	1.0
108.04587	1.0
109.01662	0.7
113.02461	0.5
117.03468	12.5
119.05036	4.0
119.61478	0.6
122.06117	3.4
126.05623	2.5
128.03535	8.4
135.04572	1.1
145.02950	64.0
146.03270	2.7
147.02992	48.3
148.03386	1.3
163.03981	3.5
170.04619	1.9
173.04601	1.1
177.09206	0.7
179.03555	0.9
187.07658	0.8
189.05566	3.0
191.05629	1.1
205.07230	0.8
231.10406	1.0
233.06873	1.6
233.09366	1.6
251.10396	4.0
265.61917	0.8
293.07068	0.8
293.11462	11.7
293.14230	0.5
293.21307	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	291.1963
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	1.2
60.93849	0.6
70.89474	1.1
77.68673	0.5
93.07098	0.9
95.99460	0.5
97.06596	1.6
111.08149	1.2
119.54007	0.5
120.84946	0.6
121.10219	13.7
122.33215	0.5
123.08165	1.5
125.09719	7.1
141.12846	1.0
147.08150	1.0
185.11818	12.4
197.11865	3.1
209.11885	1.2
211.13461	1.4
223.13235	0.9
230.96234	0.5
247.20674	1.1
273.18634	1.9
291.19629	100.0
292.19965	8.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1966
Annotation	12-OPDA
Peak:m/z	Relative Intensity
51.47729	1.1
57.03423	1.0
59.01360	3.6
70.89894	2.2
70.90210	1.2
76.05388	1.2
88.56842	1.0
96.42539	1.3
98.20560	1.2
107.08683	8.9
121.02933	2.4
121.10220	1.5
125.09688	1.2
139.11264	5.5
165.12813	1.4
169.03079	1.1
181.52293	1.2
185.11728	1.9
199.13374	5.8
221.09727	1.0
247.20567	2.4
273.18478	2.0
291.04153	1.2
291.09152	7.6
291.19644	100.0
292.08881	1.4
292.19913	9.3
305.87604	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1964
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	1.5
59.01363	2.2
60.56577	0.6
64.20759	0.5
64.84957	0.5
68.37341	0.6
70.46935	0.6
71.05013	5.0
76.79328	0.6
83.05035	0.7
95.05018	1.0
97.06591	1.4
102.52268	0.7
111.08158	9.6
135.11806	0.5
137.09674	0.9
165.12848	0.9
167.10716	1.3
177.12785	1.5
179.10789	1.0
182.91637	0.6
195.13852	5.7
236.65253	0.6
247.20682	2.9
273.18521	1.9
283.74387	0.7
291.19632	100.0
292.19980	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	292.0073
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	0.3
59.01366	1.2
61.98822	3.2
67.01888	0.4
69.33502	2.1
71.01369	1.0
78.95889	1.4
83.05038	0.4
85.02945	10.3
87.00874	1.8
89.07970	0.3
93.03457	3.6
98.20650	0.5
99.04542	0.3
109.02934	1.2
110.98520	0.9
111.00924	0.4
111.04514	1.0
121.32327	0.3
127.04008	2.2
171.03030	0.7
173.04521	1.1
191.05594	100.0
192.05943	4.1
214.73811	0.2
242.07961	0.7
257.79584	0.3
292.00784	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	291.1964
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01365	0.6
66.84768	0.3
69.40526	1.7
74.71294	0.3
89.79148	0.2
95.05052	0.4
97.06589	0.5
110.98859	0.3
119.05026	0.5
125.06029	0.3
140.81769	0.2
141.09158	0.3
148.08940	1.1
150.10468	1.0
151.11201	0.5
154.29178	0.3
156.02045	0.2
159.68161	0.3
163.11250	0.9
165.12831	20.9
166.13173	1.3
175.11220	0.5
176.12042	0.5
177.12808	0.4
179.14388	0.3
191.14322	0.7
193.12636	0.3
217.15997	0.4
229.19501	0.3
247.20648	10.7
248.21019	1.1
273.18582	6.1
274.19000	0.5
276.38956	0.2
291.19635	100.0
292.19989	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	291.1962
Annotation	Unknow
Peak:m/z	Relative Intensity
51.09017	0.5
59.01369	1.7
61.98811	0.6
66.35583	0.4
69.79076	2.4
95.99042	0.4
97.06573	0.5
111.08073	0.5
119.05010	0.8
121.02944	0.9
139.11275	0.8
148.08917	1.5
151.11259	1.7
153.12857	1.0
154.99631	0.5
165.12846	2.4
175.11156	0.5
176.12091	0.4
177.12807	1.2
179.14372	0.7
193.15886	0.8
203.14413	1.6
207.14119	0.5
209.04419	0.5
221.11758	0.5
223.13481	0.4
237.15002	0.9
247.16862	0.7
247.20653	7.1
248.20935	0.7
273.18579	2.0
291.19626	100.0
292.19986	8.9
305.67563	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	290.078
Annotation	Unknow
Peak:m/z	Relative Intensity
50.07217	0.1
59.01367	0.2
70.06053	0.2
70.06436	0.3
87.03974	0.1
93.03439	0.2
96.96011	1.5
131.03758	3.0
135.04512	0.2
145.64821	0.1
161.03552	100.0
162.03914	3.6
173.04480	0.1
242.18922	0.1
290.07767	3.0
291.08719	0.1
291.09274	0.1
291.12601	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	291.1964
Annotation	Etherolenic acid
Peak:m/z	Relative Intensity
57.03437	1.7
59.01387	3.9
61.98799	1.7
71.01361	3.1
73.02940	3.0
93.06781	1.6
97.06583	59.4
121.02927	2.7
139.34563	1.7
149.13376	1.8
157.26569	1.5
163.26973	1.7
165.12872	2.1
171.10260	2.8
183.13872	2.6
183.43620	1.5
193.12314	22.7
194.13023	2.0
209.08374	1.5
211.13371	49.7
212.13704	2.8
243.53996	1.7
247.02614	2.1
263.20062	3.0
273.18640	5.5
274.66187	1.6
291.19644	100.0
292.20038	8.9
312.12558	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.1808
Annotation	Tuberatolide A
Peak:m/z	Relative Intensity
53.92201	0.5
54.09150	0.5
54.74717	0.5
57.03446	0.8
59.01372	4.7
62.20285	0.4
67.28729	0.6
70.47180	1.0
80.02684	0.7
81.03444	0.6
83.05038	0.8
83.33694	0.5
85.02937	0.7
93.03450	0.6
95.05026	1.0
97.06576	1.4
102.03021	0.5
106.04258	0.6
109.02941	0.7
109.06588	1.8
119.08686	2.7
121.10199	0.6
123.08173	1.0
123.40033	0.5
125.09693	1.2
131.04996	0.6
137.72372	0.5
145.06516	0.6
147.08145	0.6
148.08859	0.5
149.09669	1.7
151.11255	2.8
160.08919	0.6
161.09694	1.0
162.10564	0.7
163.11284	9.2
165.12837	0.9
173.09654	0.6
175.11227	0.7
177.12892	1.4
179.10922	0.5
189.12782	0.8
191.14394	11.8
192.14763	0.6
202.13579	0.7
206.32684	0.5
217.15979	2.5
227.18039	0.7
243.17642	1.0
245.19061	28.4
246.19380	1.9
247.17027	1.1
261.18634	0.6
271.16971	3.6
273.14929	0.9
287.16339	0.7
289.07214	1.4
289.18060	100.0
290.18405	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	289.0714
Annotation	(+)-Epicatechin
Peak:m/z	Relative Intensity
53.87076	0.7
57.03441	3.2
59.22696	0.5
59.88741	0.5
70.15529	1.8
70.15916	1.2
74.71539	0.6
80.02707	0.6
81.03451	2.2
83.01369	2.8
93.03420	1.3
95.01379	0.9
95.05029	2.5
97.02937	6.1
98.19937	0.8
100.11201	0.5
108.02212	0.9
109.02944	18.5
117.03465	0.6
121.02930	2.3
122.03748	1.5
123.04510	14.9
125.02439	12.5
135.04498	1.6
137.02431	7.6
139.03983	3.0
145.02989	1.0
146.03676	1.1
149.02388	3.0
150.03207	1.7
151.03972	7.4
159.04480	2.0
160.05260	1.2
161.06029	3.3
162.03217	1.5
164.01204	3.1
165.01929	3.2
166.02657	0.7
167.03436	1.2
173.06024	0.9
174.03209	0.8
175.03955	2.0
175.07603	1.7
179.03503	7.2
187.03981	3.7
188.04758	2.9
199.07578	0.9
202.06270	1.1
203.07106	9.4
204.04497	0.7
205.05025	7.8
210.61937	0.6
221.08170	3.0
227.07089	1.3
230.05811	0.8
231.03217	0.6
245.08148	27.9
246.08430	1.4
247.05980	0.7
271.06091	0.7
289.07141	100.0
290.07458	7.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.0847
Annotation	Unknow
Peak:m/z	Relative Intensity
54.92282	3.4
57.03445	4.0
59.01367	12.0
69.03445	6.0
71.01375	3.8
71.61952	5.1
83.01377	9.0
93.03459	4.5
95.05035	4.5
96.96009	4.0
97.02954	5.2
97.06557	3.9
109.02958	14.7
113.02458	4.2
119.51920	3.2
121.02902	3.3
123.04502	6.4
125.02381	9.8
125.09696	4.3
135.04526	5.7
137.02452	19.3
138.02756	10.8
139.11301	5.2
150.03165	6.7
151.03691	6.3
159.04515	4.2
163.11205	3.8
165.01907	12.8
166.02252	14.1
172.05309	4.2
175.04027	3.8
179.03484	8.3
183.10139	3.4
185.06024	3.8
185.09558	3.9
187.04018	4.0
191.10808	4.0
201.09155	9.6
209.11801	21.3
217.05019	8.1
229.08690	23.9
245.08224	11.3
253.10789	100.0
254.11264	5.3
289.08209	53.6
289.10916	42.6
289.14432	7.4
289.17642	18.8
290.11362	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	289.0716
Annotation	(+)-Epicatechin
Peak:m/z	Relative Intensity
56.86076	0.6
57.03444	3.3
60.93350	0.5
69.03478	0.7
70.92436	0.9
79.10267	0.6
80.02692	0.9
81.03449	4.0
83.01373	4.8
85.44583	0.5
86.72137	0.5
93.03463	2.9
95.01410	0.9
95.05025	4.1
96.95969	0.7
97.02952	10.8
99.04545	0.8
105.03493	0.7
107.05004	0.6
108.02205	1.6
109.02946	39.6
110.03269	1.0
117.03458	0.5
121.02945	4.8
122.03729	2.1
123.04523	27.7
124.04836	0.6
125.02441	25.0
126.02767	1.4
133.02937	0.8
135.04541	2.8
137.02435	13.7
138.03197	2.2
139.04010	6.1
145.02934	2.3
146.03723	1.8
147.04485	1.1
149.02444	5.4
149.06029	0.5
150.03253	1.6
151.04002	12.3
152.04306	1.0
157.06612	0.8
159.04482	4.1
160.05251	2.1
161.02409	1.5
161.06071	7.0
162.03175	2.0
163.03973	1.3
164.01143	5.5
165.01915	7.2
166.02689	0.8
167.03467	2.5
173.06120	1.2
174.03194	0.9
175.03976	2.5
175.07632	2.8
177.05547	0.7
179.03468	9.4
184.05312	0.8
185.06055	1.3
186.06790	0.6
187.03989	6.0
188.04790	4.7
199.07590	0.8
201.05574	1.4
202.06323	3.1
203.07124	17.7
204.07448	0.8
205.05045	10.3
217.08627	1.0
221.08130	5.4
222.08571	1.1
227.07076	2.9
230.05794	0.9
231.02983	0.9
245.08154	29.6
246.08495	2.0
247.06099	1.4
271.06161	1.5
274.59402	0.6
289.07159	100.0
290.07581	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	287.2227
Annotation	10,16-Dihydroxy-hexadecanoate
Peak:m/z	Relative Intensity
55.23256	0.2
57.03432	0.3
59.01371	0.7
61.98824	0.2
96.95958	0.2
108.84714	0.2
111.08157	0.4
113.09723	1.3
125.09661	0.4
127.11272	2.2
141.09142	0.3
141.12868	0.5
143.10757	0.6
157.12305	0.3
171.10245	0.4
223.13284	0.3
224.82204	0.3
229.31279	0.3
239.20166	0.9
241.21732	1.8
243.17526	0.6
269.21194	2.4
285.20764	2.0
287.22250	100.0
288.22589	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	288.1603
Annotation	Mesembrine
Peak:m/z	Relative Intensity
59.01373	1.1
74.60028	0.3
81.03453	1.0
92.05064	1.1
93.03454	1.7
96.96018	0.4
98.20600	1.0
100.72942	0.3
107.03813	0.4
108.02189	0.3
108.04546	5.0
109.02937	5.8
111.26339	0.3
124.01633	0.5
130.15845	0.3
133.02946	0.8
134.01662	0.6
134.02469	34.5
135.03288	8.2
136.04034	36.5
137.02412	1.8
137.04382	1.1
143.64651	0.3
148.04030	0.8
149.04785	1.1
176.03513	4.2
177.04271	0.5
181.03786	0.4
190.05016	0.7
192.04274	1.7
204.06621	0.4
288.16022	100.0
289.01880	0.3
289.16235	8.4
293.46829	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.165
Annotation	Hynapene B
Peak:m/z	Relative Intensity
50.49162	0.5
57.03431	0.8
59.01376	4.8
61.98846	0.5
70.71924	0.7
70.72257	0.7
71.01364	0.8
72.89520	0.4
79.27776	0.5
80.02677	0.6
81.03458	1.6
83.05022	1.4
93.03413	0.5
95.05021	4.5
97.06572	0.8
100.42200	0.5
106.04236	1.3
107.05021	1.8
107.08644	0.6
109.06571	8.3
111.08143	0.8
119.04996	0.6
119.08650	0.6
120.05809	0.6
121.06622	2.5
121.10213	1.6
123.08160	4.6
125.02414	0.5
127.07668	0.5
133.06569	0.7
133.10199	0.9
135.08174	2.3
136.96950	0.4
137.02449	0.5
138.88542	0.4
145.06563	1.2
147.08176	4.3
149.02451	0.5
149.09702	3.3
157.06529	0.7
159.08095	0.9
161.09746	3.3
163.11278	0.8
165.01848	0.5
171.08174	1.0
172.08952	0.6
173.09698	0.9
173.25266	0.4
175.11292	3.3
177.09041	0.7
185.09680	0.9
186.10481	1.5
187.11238	0.7
189.12814	5.6
201.12854	0.9
215.14398	1.5
219.13850	0.6
225.16414	0.6
227.14389	0.7
230.07246	0.5
230.09639	0.5
241.15933	0.5
243.10072	0.7
243.17505	28.5
244.17928	2.7
269.15353	2.2
287.16501	100.0
288.16821	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	287.09
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	8.1
61.98817	4.7
64.83612	3.1
69.71574	18.9
82.02969	8.3
83.01382	6.9
93.03442	3.2
97.02965	5.3
98.02467	13.2
98.19868	4.0
100.00391	4.1
105.01947	4.7
108.04520	5.5
111.01977	6.3
122.06118	7.9
125.02441	58.5
125.03313	5.4
127.00362	5.1
128.02559	5.2
128.03539	100.0
131.81343	3.9
141.01929	4.3
142.49867	3.6
145.81839	2.9
154.91583	3.5
160.26532	3.1
165.05508	3.7
165.69185	3.7
168.06625	6.9
168.17143	3.4
193.01309	3.8
212.05626	12.5
247.06380	7.2
256.04684	16.2
271.57410	4.1
287.05536	6.9
287.08972	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	287.0924
Annotation	4,8-Dihydroxy-6-methoxy-3,4,5-trimethylnaphtho[2,3-b]furan-9(4H)-one
Peak:m/z	Relative Intensity
57.03429	0.6
59.01376	0.2
69.27631	2.4
83.01377	1.1
93.03435	0.7
96.59269	0.3
97.02958	0.4
108.02106	0.3
109.02944	2.5
112.88000	0.2
121.02946	2.6
124.01662	1.3
125.02443	4.6
133.02991	0.3
135.04514	1.2
137.02431	7.2
137.03491	0.4
139.93640	0.2
145.06544	0.3
146.03700	0.4
147.04460	0.6
148.05293	0.5
148.07784	0.5
149.02422	2.4
149.06042	0.5
150.03189	0.9
151.04016	0.4
159.04520	1.4
161.02451	2.2
162.03171	0.3
163.03966	0.5
164.01123	1.0
165.01901	3.1
171.04497	0.5
172.05243	1.3
173.06079	2.5
174.03174	0.7
175.03981	4.0
176.04585	0.4
177.01907	0.5
177.05556	1.2
180.05785	0.2
181.06566	0.3
183.04454	0.4
184.05188	0.3
185.06012	0.9
186.06807	0.5
187.03990	0.7
187.07616	0.4
188.04794	0.6
189.05519	2.1
191.07071	0.6
195.04652	0.2
197.06056	2.0
198.06787	0.7
199.03973	0.9
199.07614	3.6
200.04726	0.7
200.08340	1.1
201.05565	3.2
203.03499	1.4
203.07121	1.4
211.07741	0.3
212.04761	0.8
213.05536	1.0
215.03474	0.9
215.07079	1.2
217.04979	1.6
219.06567	1.4
225.05525	0.9
227.03531	3.4
227.07098	3.3
228.07782	1.0
229.04936	1.3
230.05803	0.9
231.06503	0.5
232.07329	0.4
237.05608	0.3
240.04263	7.0
241.05000	5.1
242.05380	0.3
243.02945	1.0
243.06635	1.6
245.04366	0.5
255.06601	15.0
256.06992	1.0
257.04538	0.8
257.08136	1.1
258.05344	3.9
259.06076	4.0
259.09747	0.4
260.06454	0.3
262.04660	0.3
269.04489	0.6
272.02975	0.4
272.06854	0.9
287.05908	5.4
287.09213	100.0
288.06281	0.5
288.09540	8.5
304.05917	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.056
Annotation	Robtein
Peak:m/z	Relative Intensity
57.03444	7.6
59.01372	2.0
65.00335	1.7
65.03965	1.3
67.01894	2.0
68.99815	1.3
69.03445	4.0
69.54861	4.1
71.01376	0.9
77.03958	2.7
77.46764	0.6
79.01886	1.4
81.03458	1.9
83.01388	20.6
93.03462	12.7
94.03774	0.8
94.81812	0.7
95.01398	3.7
95.05038	2.2
97.02951	5.2
105.03454	1.4
107.01395	2.3
107.05029	1.7
108.02161	5.7
109.02950	38.5
110.03276	1.0
110.98799	0.6
111.00883	2.8
117.03467	1.0
119.05004	3.4
120.02159	0.7
121.02953	45.1
122.03793	5.7
123.00864	1.5
123.04556	1.7
124.01661	15.8
125.02442	66.1
126.02773	1.4
129.07077	0.8
130.04211	2.0
131.05057	3.3
133.02968	4.2
134.03810	1.4
135.00862	0.6
135.04527	20.3
136.01656	2.9
137.02440	100.0
138.03185	4.0
139.03989	1.7
143.04958	1.5
144.05759	1.4
145.02946	2.2
145.06589	5.7
146.03740	2.9
147.04529	11.0
148.05301	5.3
149.02441	36.1
149.06075	7.3
150.03229	21.6
151.00352	2.2
151.03999	4.4
153.01915	1.4
154.02786	1.2
155.05028	2.8
157.02905	2.6
157.06628	1.6
158.03712	4.7
159.04509	22.3
159.08051	0.8
160.01593	0.8
160.05162	1.1
161.02441	19.0
161.06062	2.6
162.03157	2.7
163.00340	1.7
163.03993	3.4
164.01152	11.9
165.01926	48.8
166.02568	3.8
169.06586	1.5
171.04512	3.7
172.05310	11.5
173.02431	2.4
173.06073	24.2
174.03200	8.5
174.06419	1.5
175.03992	51.4
176.04530	4.3
177.01949	9.3
177.05562	19.0
177.16063	0.6
178.02507	0.6
179.03471	2.5
181.06482	0.8
182.03769	1.1
183.04512	6.5
184.05231	1.1
185.06029	1.7
186.06825	1.1
187.03981	2.6
187.07611	4.2
188.04781	2.1
189.05588	12.2
190.06175	1.8
191.03659	0.8
191.07109	7.8
195.04480	0.9
196.05360	1.7
197.06062	6.7
199.03983	6.5
199.07648	2.1
200.04782	7.5
201.01857	2.2
201.05557	49.5
202.02808	0.7
202.05911	2.2
203.03496	17.5
204.04143	3.3
213.05537	3.5
214.06371	2.5
215.03508	2.1
215.07108	16.3
216.04225	1.6
216.07468	0.9
217.05045	18.1
218.05429	1.6
219.06593	18.6
220.06973	1.0
225.05586	9.1
226.06145	0.9
227.03453	3.9
228.04233	1.9
240.04350	1.0
241.05058	8.1
242.05672	1.2
243.03001	7.4
243.06593	17.0
243.11397	0.7
244.03654	2.1
244.07156	0.9
245.04536	6.1
246.51289	0.8
257.04504	1.0
258.05289	11.2
259.06085	58.5
260.06329	3.2
261.43610	0.7
269.04581	9.5
269.09137	1.1
285.04144	0.9
287.05600	72.6
288.06006	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	286.2387
Annotation	Prosopinine
Peak:m/z	Relative Intensity
59.01365	1.5
61.98825	1.7
69.27904	3.6
70.02963	0.8
74.06100	1.7
76.45245	0.4
78.13669	0.4
90.77531	0.4
102.04862	0.4
117.07084	2.9
118.03109	0.4
118.05119	1.0
186.75555	0.4
240.23299	2.6
242.21141	1.2
268.22729	0.9
286.23843	100.0
287.16498	2.2
287.20099	3.0
287.24274	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	287.0559
Annotation	2,6,3',4'-Tetrahydroxy-2-benzylcoumaranone
Peak:m/z	Relative Intensity
50.60628	2.3
55.83252	2.8
57.03437	7.5
67.46022	3.2
69.03445	5.6
69.28845	19.5
83.01373	14.3
86.66333	2.6
93.03465	12.3
95.01365	3.0
95.05018	2.8
97.02976	3.9
107.04981	2.9
108.02168	5.2
109.02957	35.1
111.00895	4.6
121.02945	33.5
123.04527	3.6
124.01644	10.6
125.02441	71.4
131.05003	3.4
133.02924	5.8
134.03760	3.1
135.04498	10.6
137.02438	99.0
144.05904	2.3
145.06592	4.6
147.04480	8.4
148.05287	6.6
149.02434	49.7
149.06029	3.5
150.03149	10.1
151.04013	14.1
152.49222	2.5
157.06532	3.2
158.03676	4.8
159.04507	16.6
161.02399	25.4
163.03961	4.3
164.01155	8.8
165.01926	35.4
171.04425	4.1
172.05312	13.3
173.06050	27.1
174.03171	7.6
175.03993	45.4
175.70554	2.3
176.04712	3.8
177.01955	12.8
177.05598	15.8
183.04517	10.7
185.06084	2.9
189.05547	8.9
191.07091	5.1
197.06049	8.6
199.03984	7.8
200.04749	7.5
201.05551	55.5
202.05899	3.4
203.03479	16.4
215.07071	11.0
217.04950	11.8
219.06570	22.4
225.05557	8.4
227.03534	5.5
241.05087	6.4
243.02888	7.3
243.06572	22.6
245.04495	9.6
247.06390	13.9
248.06631	3.4
258.05368	5.2
259.06097	52.7
260.06430	3.9
269.04514	15.1
287.02341	6.0
287.05588	100.0
288.05963	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	284.0773
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	3.5
59.01376	12.4
61.98814	5.5
68.28207	1.7
69.68839	2.4
69.79946	1.9
71.01377	90.5
71.60726	3.3
72.00901	18.9
72.01718	3.1
72.99300	29.7
74.02466	14.9
76.91357	2.2
78.95892	2.9
79.95741	8.6
85.02939	1.8
87.00871	34.6
89.02434	6.2
96.96014	4.7
101.02445	2.8
103.04018	2.3
104.03532	93.0
105.01935	14.5
105.02514	2.3
108.02168	29.1
109.02944	6.5
110.06122	2.6
114.99567	3.6
115.00369	55.7
116.05019	4.3
117.05410	2.8
123.04530	2.8
129.01921	6.7
131.04631	4.0
142.06584	5.1
143.06975	16.2
147.02995	100.0
148.03261	3.6
152.01169	14.2
153.01920	13.3
180.11398	2.2
191.05548	10.7
194.82849	2.0
204.08531	6.8
220.17723	2.0
220.64960	2.1
223.02576	7.4
283.26419	5.3
284.04193	18.3
284.12366	3.6
284.26688	3.6
285.03506	4.1
285.06177	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	285.0614
Annotation	2-Hydroxy-3-(beta-D-xylopyranosyloxy)benzoic acid
Peak:m/z	Relative Intensity
59.01369	0.5
64.63400	0.5
70.70844	1.6
72.99294	1.7
73.99615	0.5
79.95743	1.7
81.03448	0.8
81.95323	0.6
96.96017	1.0
108.02166	100.0
109.02985	14.5
116.05056	1.3
117.05402	1.6
123.04477	0.6
129.05363	1.0
131.06947	1.1
133.02931	1.0
135.00867	0.5
142.06609	3.9
143.06947	7.2
151.03975	1.3
152.01138	63.7
153.01932	29.1
154.02266	0.8
158.06119	2.1
159.06445	5.6
163.03954	1.0
165.01865	0.9
177.91414	0.4
187.05954	2.3
204.06613	3.5
205.06960	11.9
211.02609	1.3
223.02606	2.7
224.01883	1.0
285.02707	18.1
285.06155	70.1
286.02246	3.3
286.06323	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.1701
Annotation	4,4-Bis(4-hydroxyphenyl)heptane
Peak:m/z	Relative Intensity
54.64165	0.4
59.01373	3.9
69.33678	2.4
69.34082	0.8
98.19881	0.6
101.02459	0.5
107.05020	100.0
108.05351	3.2
118.67828	0.3
126.16574	0.4
163.11281	94.1
164.11618	4.2
198.06537	0.3
201.02512	0.7
223.08310	0.8
268.03738	0.5
283.17004	95.1
283.26343	21.4
284.17331	8.0
284.26727	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	284.0232
Annotation	Unknow
Peak:m/z	Relative Intensity
68.76888	0.4
68.95045	0.4
71.38413	0.7
72.99298	5.3
75.00842	0.5
78.87988	0.4
79.95717	4.9
83.76489	0.4
96.96006	2.8
97.84763	0.4
98.19989	0.4
113.47256	0.4
116.05055	8.3
128.05054	3.6
130.06621	3.4
132.04639	0.5
142.06609	24.6
143.06850	0.5
144.04514	0.8
158.06097	19.3
172.04022	0.5
178.01747	0.4
182.24532	0.4
186.05577	8.3
204.06627	44.6
205.06996	2.0
210.02275	6.6
222.02289	13.6
223.02605	0.7
238.01756	1.5
284.02307	100.0
285.02560	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	283.155
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	32.5
59.58043	0.3
60.01693	0.4
61.98829	2.7
66.98990	0.2
69.35886	2.2
72.99311	1.1
73.96748	0.3
75.00876	0.3
79.95728	2.4
80.09632	0.2
80.96501	0.3
81.03429	0.4
96.96006	100.0
97.06580	0.4
97.15301	0.3
98.20541	0.6
101.02441	0.3
109.00682	0.2
110.87914	0.2
116.05038	1.8
127.11348	0.5
128.05057	0.7
130.06642	0.5
136.29475	0.3
142.06615	4.9
151.02596	0.6
157.12334	2.2
158.06093	3.2
163.06142	1.0
165.09201	0.6
169.24710	0.3
186.05647	1.3
201.23892	0.3
203.08305	0.3
203.12852	5.4
204.06625	6.8
204.13222	0.3
209.11806	0.6
210.02275	1.0
222.02255	2.5
223.08255	0.5
223.13495	0.3
268.03809	0.4
283.02060	0.6
283.03464	0.9
283.08566	23.4
283.15482	1.1
283.26382	18.6
284.02301	9.6
284.08948	1.2
284.26752	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	283.0392
Annotation	Unknow
Peak:m/z	Relative Intensity
55.10938	0.6
68.18861	0.7
70.89500	0.9
70.89834	1.2
71.60471	0.6
72.00903	8.1
74.02476	10.6
74.35999	0.6
79.95734	46.5
80.96548	0.8
107.94941	0.7
116.05059	40.5
117.05390	1.2
129.05872	0.9
130.06638	2.1
142.06616	100.0
143.06982	4.1
157.07726	1.0
158.06099	5.1
159.09259	7.3
165.62738	0.7
186.05577	3.1
187.77348	0.7
196.00751	1.3
203.08250	37.9
204.06633	4.0
204.08611	2.1
205.63443	0.8
209.01573	1.9
210.02333	2.2
222.02284	39.7
223.02606	2.7
238.01796	4.5
241.00499	2.8
283.03922	98.2
284.01822	1.5
284.04224	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.1188
Annotation	Unknow
Peak:m/z	Relative Intensity
56.70761	1.0
57.03432	1.9
59.01377	73.0
69.03449	1.8
71.01360	2.3
72.99314	8.3
73.02927	4.4
79.95745	2.2
80.30022	1.1
83.05013	3.6
96.95995	4.8
101.02444	1.6
108.09623	1.1
114.05592	2.8
116.05046	1.5
132.28535	1.1
135.11795	16.4
142.06621	7.9
151.02692	1.3
151.11229	2.7
153.12834	2.7
154.79741	1.4
158.06062	3.5
161.09680	3.8
163.06119	3.5
169.12288	4.8
179.10771	73.2
180.11092	3.7
186.05630	2.2
197.11823	90.5
198.12137	4.3
204.06609	7.7
209.11818	5.5
222.02377	3.0
223.09822	15.0
233.13754	1.2
239.12863	5.0
241.10797	40.7
242.11101	2.8
255.02686	1.2
256.73535	1.0
268.03851	1.6
283.03635	1.4
283.06470	2.5
283.11908	7.8
283.15475	3.2
283.26404	100.0
284.02347	9.5
284.15283	1.9
284.26721	8.0
304.57346	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.0391
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	0.9
61.98834	4.2
70.19190	2.9
71.01374	6.5
71.15239	0.6
72.00910	5.8
74.02467	6.7
79.95731	29.9
87.00843	0.8
89.02441	0.8
96.95992	0.7
98.19988	0.7
101.02479	1.3
102.05587	1.0
103.00358	1.5
103.04020	1.0
104.03510	5.2
115.00368	9.6
116.05055	25.3
117.05407	0.7
119.60963	0.6
120.49873	0.6
130.06535	1.3
142.06612	67.3
143.06958	2.5
146.04582	2.2
147.02997	9.1
151.02602	3.9
158.06116	1.4
159.09268	6.1
184.98553	1.6
186.05571	2.4
191.05620	1.1
193.05028	1.0
203.08255	31.0
204.08536	2.1
209.01407	1.4
210.02255	1.8
222.02275	34.2
223.02615	1.9
238.01846	3.7
239.04799	0.7
241.00505	2.6
269.72293	0.6
283.03925	100.0
283.26352	2.5
284.04105	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	281.2483
Annotation	Petroselinic acid
Peak:m/z	Relative Intensity
51.68703	0.4
56.53920	0.4
70.97807	0.3
71.45206	0.4
71.45541	0.5
71.47180	0.5
82.06686	0.4
108.29971	0.5
142.70364	0.6
196.18788	0.5
217.76277	0.4
268.79684	0.4
269.48730	0.4
281.24832	100.0
282.25156	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	282.0842
Annotation	Guanosine
Peak:m/z	Relative Intensity
59.01374	1.7
61.98825	0.9
66.00961	0.5
70.79806	0.5
70.80147	0.3
71.01383	0.4
72.00894	0.3
73.80918	0.3
74.02469	0.4
79.95728	1.9
82.04111	0.8
85.02946	0.4
87.00877	0.4
88.04055	0.5
89.02437	0.3
96.95995	1.5
101.02432	0.9
107.03638	3.8
108.02032	8.4
116.05051	1.1
119.05064	0.2
126.03091	4.7
133.01555	29.9
134.01964	0.4
142.06627	3.3
146.04631	0.4
150.04202	100.0
151.02696	1.8
151.04674	2.2
181.07204	0.3
201.02574	0.4
203.08250	1.5
222.02333	1.6
248.33647	0.2
282.08414	34.3
283.03934	4.4
283.08932	1.4
283.26410	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	281.1241
Annotation	Unknow
Peak:m/z	Relative Intensity
53.09729	0.3
59.01374	100.0
60.01701	1.0
61.98830	0.9
69.54897	2.4
71.01386	1.6
73.02945	0.7
75.00881	0.4
79.43793	0.4
79.46060	0.3
79.70168	0.4
85.01896	0.4
85.02960	0.7
87.00890	0.6
88.98805	0.6
89.02438	0.6
96.51194	0.4
96.96041	0.9
101.02443	1.7
111.85727	0.5
113.02393	0.8
117.01940	0.8
119.05045	1.6
135.03038	0.9
135.04587	0.6
150.04256	0.7
161.04478	0.7
163.04008	3.1
177.02048	0.5
183.84959	0.4
221.04613	0.6
221.06787	0.5
221.10225	3.3
275.28574	0.4
281.06909	0.8
281.24933	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	281.0664
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	3.8
65.03946	0.6
67.01874	0.2
69.03456	0.3
70.42385	0.9
71.01382	0.9
73.02934	0.8
80.20065	0.3
83.01379	1.1
85.02952	0.4
87.00860	0.5
89.02453	0.2
92.23956	0.2
93.03455	73.2
94.03794	2.0
96.96012	0.7
98.20556	0.3
98.26216	0.2
101.02438	0.6
113.02450	0.3
121.02896	1.2
133.03004	0.4
135.04506	1.8
137.02440	100.0
138.02783	2.9
143.03542	0.4
147.04459	0.5
149.02411	0.6
151.03981	3.3
161.02415	1.1
163.03978	0.5
173.04475	0.5
175.53647	1.2
176.03993	1.0
177.05606	0.4
179.03517	2.6
191.03477	0.6
191.05470	0.2
192.75598	0.3
201.11285	0.3
203.44650	0.3
209.06230	0.3
209.11905	0.4
227.12860	0.4
239.56815	0.4
266.05847	1.2
281.06744	1.0
281.10614	0.3
281.24875	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	279.2326
Annotation	Linoleic acid
Peak:m/z	Relative Intensity
59.01370	0.3
63.19758	0.3
65.82516	0.3
71.38142	0.6
81.44743	0.3
82.55240	0.3
84.73646	0.2
157.44942	0.3
169.57567	0.3
173.21387	0.3
181.65381	0.3
183.95026	0.3
188.89568	0.3
227.41084	0.3
261.22073	0.4
279.23260	100.0
280.23590	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	281.0665
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	1.0
59.01374	10.7
62.28687	0.8
71.01368	3.2
72.99314	1.2
73.02947	6.1
74.83840	0.8
75.00870	15.2
83.01306	0.7
85.02930	0.9
87.00875	9.1
89.02427	2.7
93.03460	2.1
96.96014	5.4
117.01945	15.3
119.05020	58.9
120.05309	1.5
135.02995	50.8
145.02927	1.5
161.02353	1.2
163.04001	100.0
164.04343	4.4
177.05659	1.0
193.05098	0.9
221.04416	0.9
281.06912	6.1
281.24811	2.4
298.88651	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.2169
Annotation	alpha-Linolenic Acid
Peak:m/z	Relative Intensity
54.04213	0.4
70.93639	0.7
70.93974	0.5
81.15984	0.4
107.79402	0.4
218.94960	0.3
222.12262	0.4
259.20905	0.5
277.21695	100.0
278.22028	9.0
283.43008	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	278.1396
Annotation	Unknow
Peak:m/z	Relative Intensity
53.59578	0.7
58.11621	0.9
59.01364	2.7
60.07916	0.9
60.99306	12.8
61.13242	0.8
69.03445	1.1
71.05007	1.6
71.18693	1.0
71.19019	1.2
73.02934	1.6
91.50713	0.7
96.96001	3.4
105.05827	1.0
109.06565	1.2
113.02224	0.9
119.07380	1.9
119.89884	0.8
120.08162	3.8
122.22266	1.1
125.09748	1.0
132.08153	2.2
134.09750	49.5
135.10065	1.2
144.08128	0.9
145.08974	2.0
146.09706	3.6
147.12547	0.8
148.11273	1.6
150.17810	0.8
160.07639	5.7
160.11292	10.8
161.08383	2.5
173.12080	0.8
174.09273	0.8
174.12868	1.6
176.10753	3.0
186.09239	1.5
186.12878	7.5
187.10017	0.9
188.14375	2.6
190.12358	10.5
198.12796	3.7
200.10678	1.1
204.13908	19.3
205.14185	1.8
216.13905	100.0
217.14339	5.2
234.14970	6.1
248.12872	6.8
278.13937	12.5
278.21979	6.2
279.12531	1.8
279.15933	1.6
279.23230	5.8
297.81189	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.0327
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	0.7
70.36444	0.4
71.01363	0.9
71.60476	0.5
72.21329	0.4
74.97578	0.4
76.91958	0.4
78.95901	39.9
84.07314	0.3
84.25375	0.4
85.02925	0.6
89.02466	0.5
92.05047	0.4
96.96955	100.0
98.78693	0.4
101.02389	0.5
128.03546	0.7
175.40927	0.3
191.05510	0.5
192.05920	3.5
193.06044	0.6
277.03632	0.7
277.21701	0.5
281.40982	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.1498
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14778	3.0
59.01376	34.2
71.01387	55.3
79.95770	3.6
81.03452	12.9
83.01362	6.9
83.05010	10.8
85.73191	3.1
95.05010	4.3
97.02934	21.1
109.06579	97.0
109.07326	5.0
110.03711	5.9
111.04544	2.9
113.02409	5.0
121.06558	8.3
123.02068	3.3
123.04507	4.1
125.46466	3.2
133.02893	5.5
134.03699	11.7
135.08139	11.1
136.05287	6.1
137.02434	4.3
142.02678	12.2
146.56781	3.2
149.92900	3.0
159.48161	3.1
161.09673	7.5
162.03177	5.5
163.11266	55.1
171.10236	9.6
178.02600	5.9
181.12312	20.9
185.11749	4.9
197.11775	3.6
199.13380	8.0
207.10236	100.0
208.10655	3.1
221.07451	4.1
225.11284	27.1
243.12360	10.7
275.04095	11.4
275.09323	12.1
275.15012	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	275.1501
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	3.1
59.01378	28.2
59.84540	2.2
62.55452	2.0
69.03449	3.8
70.50137	7.8
71.01377	58.8
71.05003	2.5
73.02956	4.5
79.95735	7.1
80.02664	3.1
80.96516	17.3
81.03458	11.3
83.01373	9.4
83.05003	9.6
84.02172	3.2
93.03445	3.0
95.05050	3.8
96.95960	2.6
97.02948	22.0
97.06596	6.6
105.03438	3.6
107.05028	5.8
109.06588	99.2
110.03728	8.7
110.06911	3.5
113.02419	5.6
117.03427	8.6
121.06595	9.7
122.56083	2.1
123.04453	3.6
125.09668	6.5
127.11244	2.8
133.02925	10.0
134.03734	53.7
135.04549	13.4
135.08191	12.7
136.05287	7.6
142.02733	13.4
142.03616	2.3
153.92574	2.8
161.09683	8.2
162.03224	8.6
163.11285	50.2
171.10284	11.4
177.01889	6.1
178.02673	7.8
181.12369	23.2
185.11897	3.8
189.99449	6.3
197.11894	4.0
199.13412	13.8
207.08305	5.2
207.10254	100.0
208.10558	4.4
223.31764	2.3
225.09512	2.8
225.11343	33.2
231.10223	5.9
243.12296	19.5
275.04190	9.1
275.09396	64.1
275.14883	8.2
275.20132	4.0
276.09555	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	273.0382
Annotation	5-epi-Valiolol 7-phosphate
Peak:m/z	Relative Intensity
50.62943	0.2
59.01380	0.4
62.96406	0.3
66.02399	0.3
70.91187	0.6
78.95898	73.7
81.26188	0.3
85.02956	0.6
94.99044	0.2
96.95995	0.8
96.96951	4.7
103.00346	0.6
110.98523	57.6
128.03496	0.6
131.50172	0.3
144.69051	0.3
145.06216	0.3
151.92488	0.2
159.85448	0.2
169.03471	0.3
191.05602	0.4
193.03520	0.4
223.00049	0.5
241.01169	18.1
242.01558	0.4
273.03784	100.0
274.04108	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	273.1342
Annotation	Unknow
Peak:m/z	Relative Intensity
51.75222	0.6
54.82623	0.6
55.48558	0.6
57.03436	1.6
63.05036	0.7
67.16818	0.6
69.84354	3.5
70.11410	0.7
71.01363	0.8
73.25701	0.6
74.01516	0.6
83.05021	1.2
88.09348	0.7
103.62431	0.6
128.03604	0.7
151.11267	1.8
169.12329	100.0
170.12643	4.4
194.43195	0.7
197.11815	21.8
198.12202	1.5
241.10796	99.3
242.11186	4.4
273.03894	0.9
273.07648	1.7
273.13367	2.4
273.18759	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	274.0566
Annotation	3-beta-D-Glucopyranuronosyloxy-5-methylisoxazole
Peak:m/z	Relative Intensity
51.70464	0.4
51.79148	0.4
59.01377	1.0
61.98829	0.5
62.19341	0.4
70.43944	1.0
70.44311	1.0
71.01390	0.6
72.04546	1.4
73.02928	0.6
74.02484	0.5
74.14411	0.4
78.95882	1.2
82.02983	7.1
83.01380	5.1
84.04519	1.1
85.02938	0.5
98.02469	11.5
99.02748	0.8
101.02435	4.1
101.04291	0.9
102.05601	16.8
107.05206	0.5
110.98515	0.7
112.04004	0.8
112.07683	0.5
114.09258	1.2
115.97083	0.5
124.07693	1.3
126.01036	1.1
126.01939	1.0
127.00350	7.0
128.03526	100.0
129.03859	2.1
140.07111	0.7
146.04578	9.2
150.05557	0.7
166.05070	1.8
168.06659	3.4
170.00049	1.6
171.52951	0.5
184.06174	0.6
191.05618	0.5
195.06256	0.5
212.05624	16.8
228.05121	7.3
238.03546	0.9
256.04599	21.5
257.05106	0.7
274.05865	5.2
278.38495	0.5
285.29489	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.2277
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	0.9
60.40433	0.4
68.99567	1.7
69.46907	3.4
71.01344	0.5
79.45729	0.4
85.27699	0.4
89.02407	0.5
98.20597	0.8
108.02142	0.7
109.02955	0.6
112.98553	1.1
116.49656	0.4
125.02401	1.0
142.21275	0.4
157.06647	0.4
176.98798	3.1
225.22285	2.7
253.21683	1.2
269.21173	0.7
271.22757	100.0
272.23117	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	271.2277
Annotation	16-hydroxy hexadecanoic acid
Peak:m/z	Relative Intensity
50.94310	0.3
56.30199	0.3
59.01358	0.6
68.28685	0.4
71.61019	0.3
71.61462	0.4
76.97099	0.2
79.52855	0.3
89.02414	0.4
106.26901	0.3
108.02129	0.6
109.02895	0.4
125.02449	0.4
209.18983	0.4
211.20584	1.5
225.22203	1.1
241.05174	0.3
253.21597	1.6
269.21136	0.8
271.22748	100.0
272.23120	6.6
287.92386	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	272.1503
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	2.6
65.59583	0.5
67.90642	0.6
69.35901	4.2
74.02456	1.3
82.02963	0.9
84.04552	3.4
96.96009	2.1
100.04047	0.9
102.05603	100.0
103.05954	1.0
103.13568	0.6
125.09715	1.6
127.55668	0.6
128.03532	85.0
129.03891	1.7
142.12361	5.4
143.10767	38.4
144.11040	1.3
146.04587	28.3
147.04965	0.6
166.22336	0.6
173.62325	0.5
184.17043	9.2
185.17421	0.9
210.14992	2.4
211.98326	0.5
228.13907	1.1
228.16028	15.0
229.16339	0.9
229.95438	0.6
254.13939	11.7
255.14441	0.9
272.15018	94.9
273.15369	5.1
279.11749	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1029
Annotation	Unknow
Peak:m/z	Relative Intensity
54.62497	0.7
55.01877	7.8
57.03440	5.8
58.00585	3.0
59.01377	45.8
68.70462	0.7
68.99777	0.7
69.03468	1.4
69.56194	5.6
71.01381	100.0
72.01711	1.6
72.99294	4.7
73.02944	38.5
75.00877	2.7
81.14426	1.0
83.01379	18.8
84.02187	0.9
85.02950	51.3
85.44268	0.8
86.00124	0.9
86.03284	0.9
87.00877	4.2
89.02431	5.4
90.46262	0.8
95.01386	7.3
96.96004	2.4
97.02956	2.5
98.20595	1.8
99.00878	12.2
101.02442	74.1
102.02797	1.0
107.05056	1.7
109.02935	0.8
111.00892	1.2
113.02443	37.1
114.02806	0.8
121.02944	1.2
125.02429	2.4
129.01942	1.7
143.03465	2.4
159.03000	8.8
161.04561	30.6
162.04929	1.1
172.04071	1.7
178.48952	0.7
179.33363	0.8
190.05020	1.0
205.03435	1.4
269.04416	1.5
269.07806	1.2
269.10367	10.6
269.13248	1.3
269.21234	2.1
269.24948	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.2119
Annotation	16-Oxo-palmitate
Peak:m/z	Relative Intensity
51.42683	0.4
54.15849	0.5
57.03443	0.6
59.01379	1.3
66.91512	0.4
69.41415	4.5
73.02952	0.6
83.01397	0.6
88.04041	1.7
89.02439	1.0
123.12620	0.5
186.95712	1.4
209.19055	1.8
222.87885	0.6
225.22241	1.3
269.04477	1.6
269.21198	100.0
270.21582	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	271.2276
Annotation	2-hydroxyhexadecanoic acid
Peak:m/z	Relative Intensity
70.83938	0.8
72.41835	0.5
87.33107	0.5
88.38229	0.5
92.34216	0.5
129.44588	0.5
131.96138	0.5
154.58351	0.5
161.09827	0.5
197.19095	1.0
221.18997	0.9
223.20660	3.4
225.22212	59.5
226.22559	3.8
253.21700	1.3
271.22754	100.0
272.23038	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	269.0334
Annotation	Unknow
Peak:m/z	Relative Intensity
51.81349	0.2
56.06089	0.2
59.01363	0.7
59.74500	0.2
61.98826	0.2
65.67139	0.2
65.70709	0.2
71.01373	0.2
79.95730	1.2
82.36021	0.2
83.05010	0.3
91.96959	0.2
96.96005	100.0
97.95953	0.3
104.03558	0.3
122.03727	0.2
125.02434	0.2
127.07646	0.7
129.05580	1.5
138.05627	0.2
160.98903	0.2
162.05530	0.3
189.07713	0.5
190.05087	0.4
258.11765	0.2
266.80301	0.3
269.03326	16.4
269.10278	0.8
269.21191	1.9
269.24783	0.7
270.00760	0.2
270.03543	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.1963
Annotation	15-Methoxyisodauc-3-ene-1beta,5alpha-diol
Peak:m/z	Relative Intensity
53.82441	1.1
54.64332	1.0
55.01880	2.2
57.03450	1.0
59.01383	5.7
65.00316	2.6
69.03441	5.5
71.05019	13.2
80.02660	1.2
81.03453	1.1
83.05036	1.3
92.99844	1.0
97.06576	1.5
98.95609	1.9
107.01417	1.8
135.00833	2.1
163.01613	1.3
178.99854	1.7
195.17554	1.4
221.19102	4.1
222.98679	2.5
223.20654	100.0
224.20999	7.1
266.98056	1.7
267.19635	79.4
268.20062	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	267.2327
Annotation	cis-10-Heptadecenoic acid
Peak:m/z	Relative Intensity
56.80119	0.5
59.01358	1.1
65.00312	1.2
70.10411	0.9
70.10757	1.9
75.50165	0.5
89.33498	0.6
91.01895	0.7
92.99806	1.1
95.01386	0.6
96.95943	0.8
98.95595	1.0
107.01402	1.0
121.82795	0.5
135.00887	1.2
176.98192	0.8
181.83794	0.5
182.83444	0.5
222.98822	0.9
238.98244	1.0
266.97821	1.7
267.23257	100.0
268.23566	7.1
271.38553	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	268.0283
Annotation	Unknow
Peak:m/z	Relative Intensity
57.54909	0.5
59.01375	0.6
60.77894	0.4
64.59958	0.4
69.67533	2.2
76.18801	0.4
79.95729	6.0
80.96515	3.6
84.49160	0.4
89.15782	0.4
96.95995	0.5
125.78674	0.4
128.05049	1.1
129.05835	1.1
130.05637	0.8
130.06618	14.6
131.06929	0.6
131.54532	0.4
142.06631	0.6
146.06114	39.0
147.06435	1.0
156.04556	0.8
160.07704	1.6
161.04813	1.1
172.04048	1.5
188.07155	100.0
189.07495	4.8
190.42197	0.4
236.00061	0.8
268.02823	96.1
269.03024	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	268.0311
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01370	2.0
60.01737	0.4
61.98824	100.0
69.28230	3.2
70.02966	0.6
71.01366	2.3
72.00906	0.8
72.01711	0.7
72.99318	0.5
73.02949	0.4
75.00883	1.4
78.95901	1.3
79.95763	0.5
85.02957	1.2
86.03278	0.9
87.00887	1.4
87.04459	0.4
88.01199	0.4
88.04043	1.9
89.02444	2.8
95.02508	0.9
96.96001	11.9
98.20632	0.7
99.00877	0.5
101.02425	0.4
105.01945	0.4
111.02010	0.3
112.23687	0.3
113.02436	1.0
113.03567	5.1
114.01961	3.6
114.02789	1.2
115.00400	1.3
116.00700	0.5
116.07001	0.4
121.95568	0.5
131.04613	11.5
132.03047	1.3
132.04938	0.4
133.01448	0.7
142.99849	0.5
143.04663	1.0
165.04042	0.9
169.98682	0.4
175.96709	1.0
181.03419	0.4
189.07748	0.7
191.05653	1.2
192.05952	3.3
254.08014	0.4
267.97815	1.3
268.07584	5.8
269.03500	2.3
269.07120	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.217
Annotation	(7S)-Hydroprene
Peak:m/z	Relative Intensity
59.01373	4.3
70.94321	0.9
96.96009	9.6
112.98540	0.5
128.18304	0.3
140.45406	0.3
160.66083	0.3
177.01945	0.4
189.07137	0.3
198.68646	0.4
221.00885	1.1
247.20859	0.4
255.53938	0.4
264.99869	0.5
265.14926	7.6
265.21692	100.0
266.15192	0.4
266.22037	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	267.0719
Annotation	2-O-(alpha-D-Glucopyranosyl)-D-glycerate
Peak:m/z	Relative Intensity
55.01882	1.1
57.03447	3.0
59.01376	20.6
60.19761	0.5
69.03444	0.7
70.75564	1.4
71.01378	25.0
72.99306	3.2
73.02951	0.7
75.00869	10.9
75.43424	0.5
78.95897	1.1
83.01399	0.9
85.02943	24.7
85.03453	1.2
87.00869	9.4
89.02433	7.6
91.03979	1.4
94.47282	0.5
95.01399	4.3
96.96005	1.7
99.00875	5.9
99.85785	0.6
101.02408	1.0
103.00389	1.9
111.00843	0.8
112.01681	0.8
113.02444	36.4
114.02745	0.6
115.00361	1.6
117.01934	2.0
125.12578	0.6
129.01920	2.1
131.03531	1.0
131.04575	1.1
132.03043	2.6
140.15135	0.5
149.04581	0.7
175.02420	2.9
179.19589	0.6
186.11618	0.6
191.05559	0.8
205.07030	0.8
207.05083	1.6
210.00957	0.5
248.98305	1.6
249.06178	5.0
267.07184	100.0
268.07544	2.9
268.10068	0.5
277.41937	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.1191
Annotation	gamma-Glutamyltyramine
Peak:m/z	Relative Intensity
58.02976	3.7
59.01360	3.5
62.54565	0.5
69.99093	2.1
70.02967	1.6
71.01369	1.2
72.00903	1.2
72.04546	0.8
73.37274	0.5
74.02466	5.0
82.02990	4.2
83.03338	0.9
84.04549	6.5
86.02493	3.2
98.02462	1.1
99.05639	2.8
101.07197	9.9
106.04266	0.7
107.02473	1.4
109.04080	5.6
119.04227	0.9
119.05025	9.8
120.05395	0.9
127.05129	62.8
128.03534	10.9
128.05492	1.2
136.07709	1.6
142.06619	1.9
144.02957	0.6
178.08723	1.3
183.99828	0.6
190.08676	2.0
219.11334	2.0
221.12907	5.2
222.02277	0.7
239.85107	0.6
247.10855	18.4
248.10973	0.8
265.11896	100.0
266.12161	4.7
276.48868	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.1443
Annotation	Aspterric acid
Peak:m/z	Relative Intensity
52.43446	1.8
57.03436	4.0
59.01379	35.8
59.29125	1.6
64.51942	1.9
69.51547	8.9
71.01375	4.9
72.02157	5.7
78.95901	3.9
83.05020	2.2
85.02921	2.1
85.06593	4.5
96.96024	4.1
97.02946	5.1
97.06593	4.8
98.03747	2.3
131.57419	1.6
142.39322	1.8
147.11856	1.9
163.11296	2.2
167.96611	2.0
177.01903	1.9
178.06290	2.3
202.34496	1.7
203.14421	17.2
221.00981	3.4
221.15450	100.0
222.15764	6.9
223.13414	4.3
265.14316	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	265.0715
Annotation	Dihydrocitrinone
Peak:m/z	Relative Intensity
52.02024	1.1
58.00585	4.7
59.01377	16.5
69.03445	3.2
69.25862	11.4
71.01363	1.8
80.96494	2.7
85.02949	3.7
87.00880	1.9
91.01899	2.6
93.03436	5.3
96.96000	5.9
105.03446	1.7
108.02155	2.7
109.02934	3.2
111.00913	1.2
119.05000	1.9
121.02940	2.3
122.03725	1.6
123.00870	2.4
123.04488	6.5
124.01615	3.9
127.00375	1.7
133.02921	9.0
134.03705	1.9
134.04684	2.1
135.04514	18.0
142.06619	13.9
145.02966	5.7
146.03752	2.1
147.04504	26.2
148.05309	20.8
149.06088	11.3
150.06807	1.8
150.62088	1.3
151.04044	2.0
155.03445	1.2
158.03661	2.6
159.04498	27.5
160.01640	7.1
160.05272	15.4
161.02425	14.6
161.05934	1.1
162.03188	3.8
162.06839	3.3
163.04008	13.0
168.88789	1.8
169.02972	4.2
170.03667	3.9
171.04472	5.6
173.02438	2.2
173.04514	3.9
174.03210	19.6
175.03976	22.2
175.07588	1.7
176.04831	14.5
177.01860	1.9
177.05484	7.1
178.06334	53.2
179.03465	5.4
179.06696	2.0
187.03989	13.2
188.04776	84.9
189.05536	33.8
190.02620	4.6
190.17033	1.4
191.03465	6.3
191.05565	10.6
191.07141	6.8
193.04987	1.3
193.08687	28.8
194.09030	1.7
203.03481	2.5
203.07138	18.0
204.07257	1.2
205.05002	3.4
206.05823	32.3
220.03731	1.8
221.08165	100.0
222.02245	6.5
222.08498	5.0
265.07190	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	263.2012
Annotation	KDC 165
Peak:m/z	Relative Intensity
53.22364	0.3
54.24946	0.3
59.01376	4.0
59.93496	0.3
71.01373	0.7
79.76388	0.3
84.51068	0.3
107.96545	0.3
113.02457	0.5
176.47188	0.3
191.17892	0.4
196.64285	0.4
202.31497	0.3
219.17496	1.0
223.46884	0.3
245.19054	0.5
262.98276	0.4
263.20114	100.0
264.20490	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	264.0874
Annotation	Nigerloxin
Peak:m/z	Relative Intensity
59.01371	1.7
70.51697	1.9
72.04543	21.8
72.85860	0.5
82.02979	100.0
83.01353	0.7
83.03320	1.6
87.35464	0.6
93.03445	1.0
98.02473	32.9
100.04040	41.6
105.63036	0.5
106.04256	1.3
106.91235	0.5
107.05017	1.1
119.05019	40.1
120.05376	1.0
126.01963	0.7
127.05081	1.2
136.07707	0.9
148.04855	0.7
192.03853	1.1
192.10303	7.2
193.10754	0.9
218.08205	11.8
219.08620	0.7
220.03333	1.0
220.09769	21.4
221.10106	1.2
236.09268	0.7
264.08746	66.0
265.09073	3.8
265.11880	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	263.1286
Annotation	Epoxycantabronic acid
Peak:m/z	Relative Intensity
57.03427	2.9
59.01371	14.3
67.63875	1.4
69.38831	13.2
71.01376	8.1
79.95743	3.1
83.01403	1.6
83.05022	4.2
95.04996	3.3
96.96004	2.0
97.02933	12.6
98.19881	2.5
105.07066	3.7
107.05027	2.0
108.05814	7.9
109.02975	7.5
109.06582	3.6
111.04507	12.7
113.06107	11.9
119.08624	6.1
121.06587	3.4
122.03727	16.2
123.04511	6.0
123.08159	9.4
125.06071	19.4
135.08220	4.1
136.05295	19.5
137.06136	7.9
137.09706	1.7
138.06847	20.9
139.07651	40.1
148.05293	11.0
149.06070	5.4
151.07640	84.0
152.04796	7.7
152.08426	47.9
153.09222	16.7
159.11745	3.5
161.09717	8.9
163.07614	16.9
167.07071	3.4
171.08212	1.7
185.09621	3.0
186.10507	1.9
188.08432	5.8
189.09216	8.7
201.12816	32.2
202.13145	2.1
203.10759	26.6
204.11528	68.6
205.11862	5.4
219.13884	100.0
220.14238	6.3
248.10583	1.8
263.00882	1.9
263.12857	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	262.0566
Annotation	Unknow
Peak:m/z	Relative Intensity
51.94375	0.9
52.16386	0.9
57.03438	2.6
59.01365	3.5
61.83732	0.9
69.03467	5.0
70.02981	5.5
70.21148	4.1
71.01386	4.8
72.99313	1.3
75.00847	1.6
82.02970	1.3
85.02946	54.0
86.02464	1.6
86.06155	1.1
87.04504	6.9
87.92517	3.8
88.04008	2.1
94.02956	1.3
96.00905	1.6
96.04547	100.0
96.96935	1.1
97.02946	8.2
97.04881	1.5
98.02466	2.6
99.00874	5.5
100.66232	0.9
101.02425	1.3
101.30813	0.9
102.05559	1.0
103.92020	2.6
104.92792	1.6
111.04504	1.4
112.04011	2.7
114.01997	1.9
114.05574	2.5
115.04028	4.9
122.02451	1.2
126.05596	2.6
128.03560	7.6
129.01926	14.1
131.14427	0.9
132.03017	2.0
138.01949	5.8
140.03496	3.2
141.01927	3.5
142.01443	15.5
144.03006	2.0
145.96669	1.5
158.04585	19.7
159.02983	2.9
164.04308	1.1
165.04008	1.2
172.02460	2.6
177.44810	1.0
182.00923	14.0
182.05388	1.2
199.94144	2.5
200.05505	1.0
201.04019	1.0
202.03514	8.0
218.08217	2.6
219.05130	1.3
262.01031	1.3
262.05667	3.2
262.09528	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	263.077
Annotation	Unknow
Peak:m/z	Relative Intensity
52.58159	0.8
59.01376	100.0
66.64442	0.7
73.02934	1.0
96.95983	1.1
98.19843	2.7
113.02441	0.9
114.01958	1.1
131.63971	0.9
133.50969	0.8
137.02423	1.1
151.59793	1.0
182.83163	0.8
196.93550	0.8
229.84828	1.1
234.64244	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.1339
Annotation	Unknow
Peak:m/z	Relative Intensity
50.34706	2.7
57.03428	3.3
58.00603	2.9
58.02963	4.1
59.01375	16.3
65.16063	3.0
68.97495	2.5
69.03433	3.2
71.01374	94.6
73.02938	10.0
74.02464	13.1
74.42382	2.7
79.95753	5.3
81.03448	3.5
82.56327	2.8
83.01389	3.7
83.05005	3.4
85.02950	3.6
87.04501	23.0
87.05630	10.4
93.03465	4.3
95.05016	2.7
96.04537	7.9
96.95982	8.9
97.02957	4.9
97.04055	4.7
98.02478	3.6
99.05640	8.3
108.04536	3.7
109.06582	21.5
112.04001	6.4
112.07640	4.6
113.03570	3.5
116.78144	2.6
124.03990	5.0
125.09711	9.3
127.05099	7.9
127.11298	8.9
131.04694	3.6
135.08177	6.0
137.09744	5.4
140.07162	8.1
151.07565	3.2
153.09215	4.5
155.08266	14.4
155.10768	14.7
156.11075	5.8
157.11270	5.1
163.11345	16.7
165.06683	11.3
171.10258	100.0
172.10617	5.2
178.42247	2.9
181.12334	5.6
183.07742	21.8
187.09662	3.6
197.11876	3.6
199.09738	66.1
201.11406	5.2
207.10257	25.6
219.11366	16.8
225.11389	15.9
227.06783	24.1
237.39870	3.0
238.66547	3.0
243.12242	3.3
260.56244	5.5
261.02618	4.6
261.05658	14.0
261.13058	9.2
261.22223	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	261.1341
Annotation	Unknow
Peak:m/z	Relative Intensity
56.79121	2.2
57.03419	3.8
58.00577	4.8
58.02960	4.4
59.01371	16.7
69.03447	5.0
69.35913	19.9
71.01381	99.3
73.02939	12.2
74.02454	8.3
79.95709	3.5
81.03461	4.5
82.02970	3.6
83.05021	4.3
85.02949	2.6
87.04520	4.3
87.05627	6.8
87.71696	2.5
93.03448	2.7
93.04031	2.4
96.04528	4.1
96.96038	2.8
97.02933	5.1
98.02492	2.2
98.20699	4.1
98.35456	2.8
99.05641	6.1
101.02512	2.6
107.38683	2.5
109.06594	29.1
112.03992	5.7
112.07710	2.7
113.03610	2.3
125.06042	4.7
125.09714	12.0
127.05119	5.8
127.11278	10.2
135.08148	4.5
137.09700	9.7
140.07193	5.4
140.43214	2.6
153.09186	4.8
155.08250	8.1
155.10754	18.5
156.11089	6.1
157.11301	7.8
163.11330	15.1
165.06670	6.3
171.10266	100.0
172.10553	6.5
181.08606	2.5
181.12283	5.9
183.07738	13.8
197.11771	3.0
199.07965	4.8
199.09750	82.1
200.10117	3.5
201.11377	5.1
207.10229	32.3
215.12846	4.2
217.10663	3.6
218.11118	4.2
219.11241	18.8
225.11337	24.4
227.06770	13.1
243.12280	3.8
261.02286	4.9
261.05310	3.3
261.13208	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	261.0071
Annotation	Tichocarpol A
Peak:m/z	Relative Intensity
59.01375	3.4
59.56065	0.6
69.89050	2.0
69.89463	1.2
70.02975	1.2
71.01370	0.6
72.99303	12.0
73.02952	1.5
74.02465	8.7
75.00865	2.6
76.04566	0.5
79.95729	6.8
80.96518	1.3
81.03459	1.9
85.02960	1.7
93.03450	16.9
95.02550	0.7
96.04565	0.9
96.95985	2.7
98.02484	2.5
98.20580	0.8
107.05035	1.6
107.06854	0.6
109.01694	0.6
109.02957	0.6
116.03539	5.1
119.05018	39.8
120.05344	1.1
121.02928	1.1
123.04567	0.6
126.04302	0.8
126.72446	0.6
128.03560	1.4
132.04578	2.8
134.03725	1.3
135.03481	1.3
135.04512	26.1
137.06076	0.8
163.03996	32.2
164.04340	1.0
173.04495	0.8
179.03300	0.6
181.05049	77.6
182.05392	2.3
182.44875	0.5
199.00694	14.2
200.01004	0.6
201.06670	1.0
215.00183	6.5
217.09912	0.6
219.12288	2.2
261.00711	100.0
261.08536	3.4
261.13235	2.9
262.01028	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	261.0878
Annotation	(+)-Neothramycin B
Peak:m/z	Relative Intensity
58.02977	0.8
59.01379	8.3
70.02982	10.2
70.91940	0.7
70.92261	0.7
72.04547	5.2
74.02471	100.0
74.37561	0.4
75.02786	0.5
79.62267	0.4
84.04543	1.2
90.17815	0.5
93.03461	0.6
95.95216	0.5
98.02474	24.5
99.02867	0.5
116.03535	56.2
128.03549	8.3
132.04549	31.9
133.04892	1.2
135.04529	2.6
144.04549	6.9
158.06087	0.6
173.07214	0.8
175.04021	0.5
175.08784	1.5
179.03511	2.1
201.06691	14.4
217.09818	1.6
219.07784	2.6
219.12378	5.8
233.04593	1.8
239.06831	0.5
243.07713	1.6
261.08783	32.8
261.13370	1.6
262.09106	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	259.1183
Annotation	Unknow
Peak:m/z	Relative Intensity
54.98856	0.7
59.01376	3.4
60.99611	0.7
67.29562	0.7
69.42036	5.1
69.76208	0.7
78.95896	0.8
79.92730	0.7
79.95746	2.2
95.95222	2.7
96.96000	16.2
98.95581	2.4
109.02914	0.8
124.01702	0.7
131.32030	0.8
137.02435	1.0
151.11256	0.8
153.06696	0.8
160.35939	0.7
167.00130	1.2
169.12325	100.0
170.12663	3.5
171.10234	5.8
175.03960	1.8
209.11833	2.3
213.11311	7.5
218.54344	1.4
222.59570	0.7
231.12331	9.7
258.52173	11.9
259.02026	7.3
259.06131	1.9
259.11829	2.1
259.52069	1.3
259.54611	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.1548
Annotation	Unknow
Peak:m/z	Relative Intensity
69.25410	4.9
72.08800	0.6
78.37309	0.5
80.02678	2.4
80.45473	0.6
81.03453	1.6
83.01374	0.9
83.05022	5.9
84.02170	2.9
93.03440	1.2
95.05031	1.2
96.95973	0.9
109.06644	0.6
135.04507	1.1
135.08095	0.6
137.02458	1.0
161.02405	0.9
163.11266	5.1
164.11775	0.5
165.12846	2.3
173.04550	1.0
181.12334	0.8
183.10284	0.8
184.97035	0.5
191.10751	1.2
209.11813	100.0
210.12157	4.1
227.12877	13.1
228.40625	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.0721
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46577	0.7
59.01373	2.5
63.11808	0.8
69.43323	1.9
69.43752	3.4
72.00901	9.4
74.02498	1.3
78.95885	1.0
86.02471	52.8
92.05051	49.5
92.09680	0.6
96.96004	3.2
96.96957	1.3
99.08646	0.7
100.03156	0.6
110.45859	0.6
111.04483	0.9
111.08146	0.8
116.05055	49.9
117.05415	1.2
129.05830	1.5
130.06641	1.0
133.86751	0.7
135.04518	32.6
142.06609	21.2
143.06108	1.9
144.08171	6.9
154.06563	3.7
156.06923	5.1
169.07707	10.1
171.09270	52.2
172.09711	1.5
179.03484	30.1
180.03841	0.8
215.08229	100.0
216.08539	5.4
217.10770	1.1
232.77222	0.7
258.99203	10.1
259.02176	1.5
259.07230	21.5
259.11673	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	259.0222
Annotation	beta-D-mannose 6-phosphate
Peak:m/z	Relative Intensity
57.03437	3.6
59.01366	4.6
62.24884	1.2
68.99823	1.6
70.28844	4.2
70.39034	1.1
71.01378	9.9
72.99301	2.3
76.01657	1.2
78.95898	100.0
82.02982	2.8
83.01394	3.3
85.02934	3.2
86.63810	1.3
87.00860	3.9
88.98811	2.2
96.00958	1.6
96.95973	3.3
96.96954	89.8
99.00864	8.8
100.26492	1.2
101.02470	1.6
110.98544	1.4
111.00857	12.8
111.04472	1.9
112.98798	23.1
114.01991	1.4
114.05624	1.8
115.00404	1.6
115.05901	1.5
116.42204	1.2
128.03479	3.2
129.01941	5.9
129.06654	1.8
130.08743	3.6
131.04633	2.8
131.29680	1.2
133.87097	1.4
135.04523	1.7
138.98030	4.6
142.68631	1.3
143.11908	1.4
145.01453	2.0
145.06088	1.5
168.99100	1.4
173.00885	4.1
187.01022	1.4
187.10876	3.4
191.01906	1.4
199.00180	2.6
215.10480	1.5
241.01247	3.7
241.04819	1.7
242.07904	1.3
258.99380	2.0
259.02237	28.0
259.04739	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	257.212
Annotation	2-hydroxypentadecanoic acid
Peak:m/z	Relative Intensity
59.01362	0.9
69.40025	2.7
69.40435	1.2
70.81669	0.4
75.00879	2.9
75.01225	0.5
75.50289	0.4
83.04990	0.6
91.40749	0.4
95.01372	0.6
97.68549	0.4
106.55907	0.4
114.73744	0.5
125.02398	0.6
183.17482	0.8
207.17528	0.6
209.19070	3.7
211.20642	64.6
212.21002	3.1
239.20158	1.1
255.19618	0.8
257.21188	100.0
257.93964	2.4
258.21530	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	258.9915
Annotation	Unknow
Peak:m/z	Relative Intensity
52.62967	0.3
53.27234	0.3
57.03473	0.5
59.01373	1.7
67.27106	0.3
78.95908	0.7
79.95744	1.3
83.94466	0.3
85.02982	0.4
86.02448	0.4
86.56576	0.3
93.03463	0.4
94.47342	0.3
96.96009	7.2
96.96960	0.4
107.05016	0.6
116.05015	0.3
117.03474	0.4
130.08713	0.5
131.01752	0.3
134.03772	2.2
135.04520	100.0
136.04857	3.1
143.11897	0.4
179.03487	79.7
180.03839	2.6
199.09698	0.3
215.00191	2.0
215.08226	0.5
217.10864	0.6
229.11870	0.5
258.99158	30.9
259.02557	2.3
259.11832	2.0
259.14340	0.3
259.57996	1.1
259.99454	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	258.9916
Annotation	Caffeic acid 3'-sulfate
Peak:m/z	Relative Intensity
57.03452	0.6
59.01373	2.5
69.48423	2.2
71.01383	0.4
71.05001	0.4
72.00891	0.4
73.02941	0.4
73.32450	0.3
78.95904	1.3
79.95721	1.6
83.03468	0.3
83.05054	0.4
86.02483	1.0
87.00882	0.5
87.04484	0.4
92.05048	1.5
93.03463	0.9
96.96001	7.9
96.96645	0.4
96.96972	1.0
97.06604	0.4
101.02392	0.4
107.05019	0.8
108.02132	0.4
109.02954	0.4
111.04585	0.4
115.04005	0.7
116.05071	0.9
117.03484	0.6
125.02451	0.5
130.08731	0.6
132.98177	0.7
134.03732	2.3
135.04518	100.0
136.04828	3.1
137.02446	0.9
137.09795	0.4
143.11882	0.7
148.96725	0.3
158.08167	0.4
159.24495	0.3
171.09273	0.8
175.03981	0.8
179.03484	99.9
180.03845	3.5
189.05659	0.4
191.03590	0.4
191.05612	0.7
199.09731	0.6
215.00180	2.1
215.08298	1.6
217.05061	0.5
217.10756	1.1
228.90926	0.4
229.12004	0.5
230.02176	0.7
241.10854	0.9
258.94107	1.0
258.99152	31.0
259.02292	2.4
259.05762	2.0
259.09476	0.6
259.11829	5.5
259.99393	0.6
270.65762	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	256.0677
Annotation	Unknow
Peak:m/z	Relative Intensity
51.66586	1.3
53.78710	1.4
54.12570	1.6
56.39133	1.5
58.02947	1.4
59.01365	15.2
60.01388	1.3
60.01694	2.9
61.01783	2.6
61.98535	3.2
61.98826	54.5
62.38966	1.5
63.99256	10.8
66.73624	1.6
71.01389	1.9
72.56339	1.6
75.00851	5.2
78.95875	4.6
79.76569	1.5
79.95716	8.3
82.02965	11.0
83.01338	2.9
85.04779	1.7
87.00853	2.8
93.03383	1.9
95.95213	2.1
96.95367	2.2
96.96001	40.0
98.02461	15.7
99.00890	1.8
109.04034	2.4
110.98507	2.1
114.05582	6.1
126.01957	1.9
126.15993	1.8
127.00322	6.7
127.05141	15.7
128.03532	100.0
129.03833	2.7
138.01929	1.7
165.93962	1.8
168.06567	3.6
176.03967	2.3
176.21852	1.7
191.05598	2.2
193.06000	4.7
212.05591	8.9
212.09143	3.9
225.05081	2.4
228.05023	4.5
247.06348	2.4
255.23157	6.1
256.04706	5.1
256.06882	64.3
256.12814	2.6
256.23605	14.7
256.57095	14.8
257.06799	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	255.0661
Annotation	Pinocembrine
Peak:m/z	Relative Intensity
54.79115	0.2
56.51533	0.2
59.01378	0.4
63.02394	4.9
65.00320	5.1
68.99803	0.4
76.91524	0.2
79.12558	0.3
83.01388	6.2
90.75172	0.3
95.01393	0.3
107.01385	8.6
107.90053	0.2
108.02153	1.1
123.00859	0.8
125.02475	0.5
127.05560	0.3
133.02985	0.3
136.01625	1.0
141.07080	0.8
143.05009	0.3
145.06589	6.1
151.00360	10.5
152.00691	0.4
155.08582	0.3
164.01198	1.6
167.08601	0.4
169.01254	0.3
169.06578	3.2
171.04514	5.5
172.05342	1.8
177.01862	0.3
183.08098	0.8
185.06047	2.3
187.07568	2.1
193.43851	0.3
211.07626	3.6
212.29936	0.3
213.05553	9.2
213.07594	0.5
214.06047	0.4
227.07138	1.0
255.06602	100.0
255.23247	4.1
256.06964	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	253.2171
Annotation	Sapienic acid
Peak:m/z	Relative Intensity
54.94220	9.7
58.20718	10.4
59.01376	94.9
59.36584	9.4
70.75134	27.3
79.67521	10.5
119.77068	11.1
234.62296	10.8
253.21667	100.0
254.21928	13.4
261.06146	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	254.0127
Annotation	Unknow
Peak:m/z	Relative Intensity
53.46313	0.4
54.29086	0.4
55.64642	0.4
56.92935	0.4
59.01370	1.7
69.35791	4.1
79.95733	44.8
80.96510	5.0
128.05052	6.2
130.06616	82.1
131.06961	2.3
132.68463	0.4
146.06082	0.5
172.04018	0.7
174.05589	16.2
189.63681	0.5
210.02281	100.0
211.02629	3.7
254.01262	54.8
255.01523	2.3
255.23294	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	254.07
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	45.7
60.01708	12.5
60.26637	0.4
61.01788	1.1
61.98825	24.0
65.91512	0.5
71.01383	0.7
71.05013	0.4
71.60888	0.8
75.00867	1.3
75.51904	0.4
78.95896	1.2
79.95719	10.1
80.91685	0.9
80.96508	6.1
85.02940	0.6
88.04025	0.9
91.33037	0.5
93.03452	0.7
96.96014	0.7
106.98077	8.5
108.02161	0.4
124.00732	59.6
124.59845	0.4
125.03536	1.2
146.08179	0.6
152.00217	15.8
152.91730	0.6
162.04886	1.1
167.01764	0.7
179.99696	1.8
191.05597	5.8
193.07108	0.4
194.07555	1.1
194.92775	1.4
236.05948	0.6
254.07019	100.0
255.07274	2.1
255.23259	12.6
256.40771	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.2014
Annotation	Hugonianene B
Peak:m/z	Relative Intensity
59.01377	7.8
65.00319	1.0
65.07737	0.4
67.59977	0.5
70.75473	1.1
71.01376	1.4
85.02933	0.7
89.02445	0.7
91.01878	0.9
92.99858	0.5
95.01430	0.6
101.02446	1.2
111.00874	0.6
113.02502	0.8
119.01356	0.9
127.33981	0.5
135.00868	0.8
163.00349	1.1
178.99751	0.7
204.97720	0.7
206.99257	1.2
222.98845	0.5
233.19139	0.7
250.98155	0.7
251.20148	100.0
252.20529	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	253.0927
Annotation	Lilioside B
Peak:m/z	Relative Intensity
52.15358	0.6
52.38400	0.5
52.65543	0.5
55.62425	0.5
59.01375	100.0
60.01712	0.7
61.98825	1.2
69.65627	3.2
69.66030	1.1
71.01375	0.7
71.88513	0.5
96.95994	0.9
101.02470	0.8
113.32367	0.5
124.00793	0.6
134.03773	0.8
149.06158	0.5
161.04582	2.7
193.07147	2.9
234.61565	0.5
236.03732	0.5
236.24902	0.6
253.09232	1.1
254.07028	1.3
259.49695	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	250.0945
Annotation	Unknow
Peak:m/z	Relative Intensity
54.01254	1.8
57.04560	1.6
57.42551	1.8
58.02960	2.9
59.01363	6.2
65.99843	5.5
67.02993	7.8
68.01402	4.2
71.01385	3.1
71.61646	2.6
72.99257	1.7
74.00933	1.7
77.01443	3.3
78.95884	2.7
79.95716	4.1
81.04581	16.1
83.02486	2.5
87.10076	1.7
88.04019	14.6
93.03444	5.1
96.96011	21.8
98.95597	2.3
102.05550	1.9
103.58988	1.8
104.06058	1.7
105.01924	12.2
107.02547	2.4
108.05651	14.8
114.05599	12.0
115.00340	3.5
115.05116	6.5
115.38320	1.7
119.05035	4.3
120.01231	6.8
121.02953	2.2
124.05127	2.4
128.03471	4.7
132.03014	17.0
134.03610	2.8
135.04483	10.4
136.05122	13.0
137.02342	4.8
138.06700	4.4
152.04619	4.6
154.06152	3.2
163.04010	4.5
164.04614	6.1
165.07799	10.1
166.06223	2.3
171.10225	5.0
173.49454	2.0
179.03435	5.4
179.05716	4.6
179.07227	1.7
191.05586	6.0
193.05811	3.3
193.07385	20.5
195.08873	15.6
205.04582	3.3
206.08182	5.2
207.05214	59.4
207.96710	2.1
208.05916	10.3
208.08246	4.3
214.10713	2.5
220.04683	6.0
223.08337	12.3
237.06201	2.0
249.57176	5.5
250.07086	13.0
250.09396	100.0
250.14441	16.7
251.05829	18.0
251.09761	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	249.1856
Annotation	roughanic acid
Peak:m/z	Relative Intensity
50.75130	0.7
59.01367	5.2
61.98826	1.1
69.29894	2.0
69.30310	4.7
71.01378	0.8
73.27283	0.7
97.90562	0.6
125.02274	0.7
132.99200	0.7
152.23254	0.7
153.96562	0.7
161.02396	1.5
167.24414	0.6
177.01903	0.8
185.09978	0.8
204.04277	2.9
205.15985	1.8
205.19571	1.4
207.57315	0.8
219.06615	2.2
230.99196	0.9
249.07697	1.5
249.15005	3.8
249.18568	100.0
250.14474	17.2
250.18706	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	250.0718
Annotation	N-Feruloylglycine
Peak:m/z	Relative Intensity
55.01868	3.1
59.01384	4.5
61.98815	1.6
71.01378	2.7
79.95732	0.8
80.96485	1.4
83.01381	34.7
85.02942	1.1
96.36050	0.7
96.96011	7.3
98.95568	1.2
99.00898	0.8
101.02399	1.2
107.03764	100.0
108.04003	1.5
108.04655	1.2
113.02451	0.8
118.03001	5.1
118.98092	1.1
122.06120	19.0
128.03534	0.9
134.02467	28.2
135.02892	1.2
144.04550	3.5
146.06113	19.0
161.06038	1.6
163.04271	1.0
163.06393	9.5
163.07649	1.4
168.06715	0.8
170.01790	0.8
173.04688	0.8
174.05598	3.1
178.08705	13.9
189.05533	2.0
190.05054	2.0
191.05737	1.2
204.06755	1.4
205.04634	0.8
206.08199	65.7
207.08553	3.0
249.56366	3.3
250.07217	33.1
250.14420	11.7
251.05704	2.2
251.10396	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	249.1493
Annotation	6-Hydroxy-14-sesquilimonenoic acid
Peak:m/z	Relative Intensity
53.44918	0.7
57.03429	0.9
59.01375	10.2
60.31802	0.7
68.99551	0.8
69.03449	28.7
71.01373	1.0
83.05009	3.2
84.48702	0.7
93.03480	0.8
95.05020	3.2
97.06553	1.1
98.20647	1.4
106.04200	1.4
111.08141	1.5
112.98540	1.9
119.05003	1.1
121.02943	1.0
121.06603	1.2
132.47099	0.7
133.02884	0.7
134.07379	3.1
149.13321	2.7
151.11160	0.7
154.97337	1.6
161.02370	1.1
161.13229	0.9
167.10802	3.6
171.10310	1.2
175.04222	0.7
175.11220	0.8
187.14877	2.1
193.12346	5.2
193.20317	0.6
204.04324	4.6
205.12320	7.7
205.15933	9.2
219.06633	1.8
221.15443	12.5
222.15816	1.1
231.13869	32.8
232.14172	0.9
248.97356	1.1
249.00264	0.8
249.07735	2.5
249.14929	100.0
250.14999	7.7
263.44867	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.17
Annotation	4-Methoxy-1,9-cadinadien-3-one
Peak:m/z	Relative Intensity
59.01362	0.5
69.25065	0.7
69.25496	0.8
71.01370	0.5
86.77332	0.1
92.14619	0.1
132.98169	0.2
136.38562	0.1
142.91370	0.2
168.51918	0.1
174.99187	0.2
176.99062	0.2
184.00174	0.9
186.95586	0.8
205.15906	0.3
220.16968	0.9
231.13840	0.5
247.17006	100.0
248.08011	1.1
248.17349	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	247.981
Annotation	Unknow
Peak:m/z	Relative Intensity
50.65200	0.4
52.91747	0.5
61.98523	0.9
61.98824	12.9
64.21259	0.5
66.38155	0.4
69.82151	2.0
71.01376	35.5
71.14667	0.4
74.02467	0.9
77.84975	0.5
78.70044	0.4
78.95897	6.9
79.95728	1.9
85.02920	1.1
87.00888	1.2
95.95208	0.9
96.30582	0.4
96.96005	10.5
96.99371	0.5
98.20529	0.7
98.95548	0.4
103.04003	4.1
110.98531	7.3
115.00363	100.0
116.00705	1.7
146.04594	0.6
147.02985	92.4
148.03345	1.6
189.96655	0.9
191.05562	4.6
202.20456	0.5
247.56587	4.8
248.07211	14.8
248.57457	3.1
249.01524	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.1392
Annotation	Unknow
Peak:m/z	Relative Intensity
53.61540	0.4
59.01375	37.9
59.08361	0.4
69.53669	2.9
79.52581	0.4
79.95731	0.5
85.68685	0.4
92.02736	0.3
96.95992	0.6
104.04096	0.4
125.09677	0.4
127.11282	4.4
130.26427	0.4
139.11279	2.1
143.05101	0.4
145.74162	0.4
155.10782	2.9
157.12328	18.3
158.12660	0.8
185.11813	16.6
186.12137	0.9
203.12859	100.0
204.13155	2.9
207.02878	0.4
245.08253	1.0
245.13922	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	244.067
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98826	100.0
71.01359	0.5
71.60389	0.6
78.95904	0.5
98.34530	0.4
105.00495	0.4
110.57384	0.4
119.03501	0.7
153.83350	0.4
167.85500	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.0929
Annotation	N-Acetyl-DL-tryptophan
Peak:m/z	Relative Intensity
54.09863	0.7
58.02973	24.6
59.01381	1.3
65.18803	0.7
69.60710	4.9
70.02975	16.3
72.00908	4.6
72.04539	4.0
74.02468	100.0
93.63527	0.7
98.02469	25.3
107.29916	0.7
114.28272	0.7
116.02689	1.2
116.03539	28.4
116.05048	32.6
130.06580	5.0
130.95015	0.9
142.06609	9.9
148.93919	0.8
159.09262	7.3
183.09294	1.7
186.05617	1.5
201.10255	8.6
203.08243	87.4
204.08534	4.9
245.09280	96.7
246.09612	3.3
268.42523	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	244.0282
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	0.8
61.98825	1.1
63.96235	1.0
64.97017	5.1
68.47672	0.6
69.90067	3.1
72.00906	10.9
79.95733	26.9
80.96517	15.0
86.06100	0.7
87.42320	0.6
91.05565	0.6
94.76572	0.6
95.97611	54.2
96.43950	0.6
97.59203	0.6
98.19904	0.7
98.31900	0.6
101.72414	0.6
103.05504	1.3
111.30705	0.7
115.18391	0.6
118.06624	27.7
119.05014	1.0
119.06967	0.7
120.05389	1.1
126.87244	0.6
147.04514	38.5
162.05576	1.3
164.04297	2.1
164.07153	88.7
165.07491	2.9
182.02689	0.8
198.02280	2.0
226.01744	4.6
244.02824	100.0
245.03029	1.8
245.08176	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	243.1599
Annotation	Unknow
Peak:m/z	Relative Intensity
55.94148	0.5
57.03440	1.0
59.01140	0.4
59.01376	4.9
60.78115	0.4
61.98819	1.3
67.01859	0.5
69.03460	0.5
71.30305	1.0
73.02914	0.7
79.57277	0.5
97.06562	1.3
111.00872	0.9
125.09710	10.3
127.11269	0.6
154.70032	0.4
167.14360	1.3
181.12326	0.5
183.13892	7.8
185.11873	0.6
187.09825	0.6
193.12320	2.7
193.64221	0.4
201.11285	6.9
211.13368	100.0
212.13699	4.7
215.12831	1.6
225.11293	3.4
226.33154	0.5
243.10162	1.1
243.12361	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.1236
Annotation	Unknow
Peak:m/z	Relative Intensity
53.26328	0.6
55.01875	0.6
55.78318	0.6
56.49678	0.5
58.16970	0.6
59.01392	1.7
61.98820	1.0
63.96244	0.6
69.63978	2.8
69.64384	1.0
71.05013	1.4
83.18343	0.6
88.08078	0.6
96.95977	0.8
97.02931	2.1
99.00871	7.9
109.06621	0.7
111.00909	0.8
115.92820	0.6
125.09721	2.9
129.52759	0.7
151.99371	1.1
153.12807	1.1
155.14388	1.0
163.07613	0.6
163.11317	3.9
169.12259	1.1
171.10248	2.8
181.12335	14.9
189.09203	0.8
197.11827	2.8
199.09691	1.8
199.13390	32.7
200.13696	1.2
201.11327	0.9
207.10245	18.2
208.10605	1.2
215.12817	2.8
225.11296	39.7
226.11739	1.3
243.12340	100.0
243.88881	0.6
244.12724	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	243.1235
Annotation	Pandangolide 1a
Peak:m/z	Relative Intensity
50.01462	0.5
57.03416	0.7
59.01388	2.9
60.42162	0.4
61.57354	0.4
61.98809	0.7
67.01866	0.7
71.01360	1.4
71.04991	2.0
71.62398	0.7
79.95713	0.5
84.40677	0.4
91.67236	0.4
97.02950	3.2
97.06592	0.7
99.00885	10.9
107.62534	0.5
109.06552	1.0
110.03725	0.5
111.00824	0.9
111.67311	0.5
118.19556	0.4
123.08083	0.5
125.09722	4.5
127.11301	3.9
135.08180	0.6
136.05234	0.6
139.11267	1.0
142.02654	0.7
153.12830	1.0
155.14397	1.4
161.09721	0.5
163.10022	0.6
163.11273	6.5
171.10304	1.2
175.31952	0.4
181.12331	16.8
183.10239	2.1
188.01434	0.5
197.11754	1.9
199.13385	41.1
200.13705	1.9
201.11285	1.5
207.10252	29.5
208.10597	1.3
215.12970	0.6
225.11302	63.2
226.11702	2.8
229.38499	0.5
242.56606	0.9
243.02931	2.0
243.12350	100.0
244.12743	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	243.1235
Annotation	Pandangolide 1a
Peak:m/z	Relative Intensity
50.74516	0.6
59.01371	1.4
61.98833	0.8
69.28886	5.9
71.01402	1.5
71.05024	3.4
73.02962	0.8
83.05019	1.6
91.54711	0.7
95.05013	0.7
97.02950	5.6
97.06597	1.8
99.00875	25.0
109.06598	2.0
110.03748	2.0
123.08195	0.7
125.09719	7.8
127.11278	1.2
130.00243	0.7
135.08183	1.2
136.05283	1.3
138.65474	0.6
142.02733	2.2
153.12880	0.9
155.14392	1.3
163.11285	10.0
164.11720	1.1
171.10262	1.9
181.12337	23.8
182.10031	0.6
182.12683	0.9
189.09128	0.6
197.11859	1.4
199.09718	0.8
199.13394	19.6
200.13890	0.9
207.10251	47.9
208.10591	2.7
225.11305	83.8
226.11665	3.8
229.68282	0.7
243.12341	100.0
244.12657	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	243.1236
Annotation	Unknow
Peak:m/z	Relative Intensity
52.97866	0.6
57.03461	1.8
58.00604	0.7
59.01378	55.2
67.01881	1.4
69.03449	2.0
69.95898	2.2
71.01383	6.1
72.99308	8.6
73.02931	0.8
79.95735	12.1
81.03425	1.3
83.05038	1.5
85.06595	1.4
93.03475	1.1
95.05004	1.8
96.96009	1.3
97.02919	1.0
97.06553	0.9
107.05039	1.5
107.08660	3.7
109.02959	0.9
109.06573	3.2
109.10271	0.9
111.00887	1.2
111.04463	1.7
111.08087	0.7
111.60479	0.6
121.10220	1.6
123.04569	1.6
124.87830	0.6
125.09720	2.9
127.11298	1.5
135.08163	1.1
137.09720	1.5
139.11305	4.4
151.11279	1.1
155.10815	4.9
157.12206	1.0
163.11261	3.0
167.10945	0.7
171.10266	9.5
181.12325	2.2
183.10248	63.8
184.10545	2.8
185.11885	0.9
195.87605	0.7
196.47830	6.6
197.11861	1.4
199.09682	3.8
201.11310	100.0
202.11626	4.1
203.98978	9.2
207.10251	8.5
215.12874	2.2
223.61978	0.7
225.11284	13.3
226.11467	1.0
243.02953	1.3
243.06674	3.5
243.12373	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	242.0667
Annotation	Unknow
Peak:m/z	Relative Intensity
53.21275	1.4
53.47166	1.2
55.01857	3.8
57.03437	1.7
59.01373	6.7
61.98830	25.9
64.60448	1.3
67.02998	1.5
69.09693	1.3
71.01358	2.2
71.60607	2.0
74.02448	1.9
78.95894	15.2
82.02975	12.4
83.01377	3.3
84.04515	2.5
85.02955	2.1
85.06570	5.7
87.00883	10.5
92.01708	1.5
93.03421	2.5
95.05022	1.8
96.00885	3.0
96.95986	2.5
96.96957	3.4
97.02925	3.6
98.02453	4.7
99.00859	1.8
100.04029	6.4
107.05021	20.8
108.04567	2.1
110.02487	3.7
110.06104	9.9
112.04036	11.9
112.07679	55.3
113.03548	2.8
114.01949	3.7
114.05564	2.1
115.00385	2.3
119.04983	5.0
122.06062	1.5
124.04023	6.2
124.07634	5.8
125.06053	3.8
126.09225	5.0
127.05080	3.2
128.03511	6.2
131.04723	1.6
132.06615	1.6
134.06084	3.8
136.07681	13.4
137.02405	2.4
137.06076	2.5
138.05573	4.4
140.06186	2.0
140.07176	25.0
144.02940	2.2
145.06195	1.7
152.07152	2.3
152.99542	1.4
154.08710	4.2
155.07062	2.9
163.03969	4.1
165.01953	2.3
168.04269	5.5
168.06627	1.8
170.08246	8.3
180.06602	3.1
196.06161	25.1
198.07689	42.6
200.05658	2.7
214.07227	10.9
217.26331	1.4
242.06645	100.0
242.17487	1.8
243.06877	4.1
243.09789	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	243.0619
Annotation	Uridine
Peak:m/z	Relative Intensity
55.01886	0.8
59.01378	1.4
61.98820	4.2
66.03481	12.7
68.01413	2.5
70.93063	1.8
71.01379	3.9
82.02976	27.0
83.01377	1.4
83.03330	0.8
84.04584	1.1
87.00854	0.9
89.02443	0.8
94.02986	3.2
96.00909	0.9
96.04553	1.8
99.00892	0.8
99.89172	0.8
101.02438	2.5
108.04555	2.0
110.02470	100.0
111.00839	0.9
111.01996	6.8
111.02769	1.7
112.98796	4.3
117.01940	1.3
122.02459	7.4
124.03991	2.9
126.05550	0.7
127.05155	1.3
128.03503	1.9
132.03020	0.9
138.05600	0.8
140.03523	11.4
141.00436	0.8
142.99869	1.5
152.03519	17.9
153.03026	12.4
157.03566	1.5
173.00879	3.4
182.04594	1.4
183.01465	5.8
183.04109	0.8
199.10779	0.9
200.05615	45.3
201.05939	1.4
205.03432	1.6
210.98256	1.1
243.03615	1.8
243.06180	38.0
243.09769	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	241.108
Annotation	Phaeofuran B
Peak:m/z	Relative Intensity
54.36547	0.6
57.03440	1.1
60.44655	0.6
69.03456	2.8
71.01379	0.7
71.05019	4.2
77.29084	0.5
79.95758	0.8
81.95303	0.7
82.30275	0.6
83.05010	1.3
96.96025	1.0
97.06622	0.6
123.08158	1.4
125.09718	2.4
151.11267	1.8
153.12831	3.3
161.09740	1.6
172.86842	0.5
179.10730	5.4
197.11810	100.0
198.12160	4.5
223.09747	2.4
238.37839	0.6
240.56947	3.0
241.10788	94.3
242.11160	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	241.1081
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	0.5
55.16104	0.5
57.03437	0.8
59.01373	0.6
59.73008	0.4
69.03453	2.3
70.41560	0.5
70.75856	1.4
71.01382	0.6
71.05018	4.5
79.95748	1.0
81.95315	1.1
96.95983	2.2
97.06622	0.9
98.95590	0.7
101.02399	0.5
123.08166	0.9
125.09729	2.0
143.52673	0.5
151.09921	0.4
151.11278	1.6
153.12848	3.8
154.60477	0.5
155.21625	0.4
161.09697	1.5
179.10776	6.0
181.07231	0.7
197.06094	2.7
197.11818	100.0
198.12143	3.4
223.09731	3.4
240.56741	5.5
241.10794	92.5
242.11119	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	239.9971
Annotation	Unknow
Peak:m/z	Relative Intensity
57.73495	0.4
59.01373	0.7
63.26937	0.5
69.53405	3.3
79.95726	4.9
81.44189	0.5
95.95221	1.4
96.96004	21.0
98.95552	0.7
116.05056	100.0
117.05401	3.5
153.20061	0.5
158.06120	1.3
160.04028	82.0
161.04370	2.5
196.00726	9.0
199.09676	0.8
239.56882	5.3
239.99690	46.0
240.07602	14.6
240.57817	2.5
240.99997	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	241.0117
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03433	15.5
59.01372	31.5
61.98832	45.7
68.99809	9.0
70.28638	7.7
70.28960	15.9
71.01371	44.1
71.34582	5.1
71.91625	5.8
72.04552	7.4
72.96960	6.1
72.99307	22.2
73.02946	9.9
75.00870	10.3
78.95888	52.7
82.02978	22.0
83.01367	7.7
85.02939	9.4
87.00863	42.7
89.02434	10.5
96.00925	22.6
96.96001	12.8
96.96958	18.3
98.02463	10.7
99.00869	36.1
100.03960	7.8
101.02430	17.0
104.03524	11.0
107.04993	12.0
111.00887	32.1
112.03984	12.6
112.07680	19.6
112.98803	100.0
115.00376	28.8
127.03952	7.6
129.01947	26.7
131.06818	6.1
136.07646	6.8
139.00351	5.5
140.07166	17.0
142.99835	45.6
145.01413	10.7
159.06439	6.3
161.08179	8.0
168.04260	9.1
173.00882	76.9
180.95772	12.2
181.07178	19.4
196.06099	16.5
198.07683	23.7
205.03491	46.4
208.98567	17.1
240.57687	7.6
240.97519	19.7
241.01181	32.1
241.04825	8.3
241.08130	7.2
242.06575	52.8
259.61847	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	237.0614
Annotation	Ketodeoxyoctonic acid
Peak:m/z	Relative Intensity
53.80401	0.7
57.03437	2.4
59.01368	2.3
70.94154	1.5
71.01371	1.5
72.99319	0.9
75.00854	1.3
78.95903	4.1
79.30975	0.8
81.28352	0.8
82.00784	0.9
85.02953	2.8
87.00871	100.0
88.01215	0.9
88.20393	1.0
99.48425	0.7
116.03503	0.9
129.01933	15.8
146.08241	0.7
147.02983	1.0
209.17549	0.9
237.06073	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	236.0563
Annotation	Unknow
Peak:m/z	Relative Intensity
67.77773	1.2
69.25866	11.1
71.01380	16.5
72.00906	4.0
72.99291	1.2
98.19842	2.0
101.92783	1.1
114.99558	1.3
115.00372	30.3
120.04548	100.0
121.02945	27.8
121.04874	3.3
126.31039	1.0
146.06122	2.9
147.04495	13.7
148.07686	11.3
164.07155	30.4
173.93410	0.9
174.05597	14.8
191.71912	1.1
192.06654	39.7
218.04549	5.1
236.05621	65.2
237.05899	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	236.1051
Annotation	Unknow
Peak:m/z	Relative Intensity
51.74800	0.2
52.16850	0.2
59.01366	0.4
61.98851	0.2
70.79218	0.2
70.89410	0.3
70.89754	0.3
71.01366	0.2
78.17410	0.2
80.23446	0.1
80.86185	0.1
90.18364	0.2
105.26415	0.2
110.19637	0.2
121.02895	0.2
134.03709	0.5
135.04463	0.3
136.05244	0.4
148.04108	0.4
148.05295	7.1
149.05927	0.5
149.09691	0.6
150.09140	0.2
162.06816	0.4
175.07648	0.4
176.08391	0.8
177.09187	39.1
178.09503	1.6
179.10826	0.2
190.09981	1.4
191.10782	0.9
192.11536	27.9
193.11911	1.7
201.09186	0.5
203.07150	0.7
206.09485	0.3
217.08649	3.0
218.09453	7.9
219.09744	0.3
224.10522	0.2
236.10506	100.0
237.10878	6.4
237.14638	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.0301
Annotation	Unknow
Peak:m/z	Relative Intensity
56.80750	0.7
57.03446	7.0
58.60470	0.6
59.01376	100.0
60.99308	1.2
61.98843	0.8
66.23465	0.7
67.01882	5.5
68.99818	1.6
69.03455	1.0
71.01379	24.8
71.05017	0.6
71.61856	0.7
72.99304	1.0
73.02940	4.3
73.76563	0.9
74.34401	0.7
78.95900	7.9
83.01384	5.6
85.02959	6.0
85.24921	0.6
87.00896	2.0
93.03451	13.7
93.04005	1.0
96.96021	11.3
96.96954	20.1
97.02949	0.8
99.00877	9.9
107.01389	1.2
108.02203	1.0
109.02944	14.4
111.00869	10.3
111.04537	2.6
115.00374	1.6
128.03607	1.6
129.01932	17.6
129.02806	1.2
133.01437	0.8
135.00906	1.5
135.04515	0.8
137.02419	0.9
145.00890	2.5
150.46317	0.7
151.00374	0.7
153.00687	1.5
153.01924	20.8
155.03583	0.9
173.00928	2.8
173.04521	19.4
188.99948	2.0
191.05583	1.6
192.52847	0.9
214.96541	4.9
215.24301	0.6
232.97366	7.3
233.04628	1.4
233.06601	7.1
233.10423	1.8
233.15410	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	233.1033
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31996	0.2
55.23456	0.2
59.01377	10.4
59.96713	0.5
67.01883	0.4
71.18521	0.4
74.99060	7.5
75.96236	0.4
78.29865	0.2
84.47532	0.3
91.02199	1.1
93.00134	2.0
93.03448	2.6
99.05493	0.3
111.04527	0.4
118.96273	1.1
127.20346	0.3
132.64709	0.2
134.99399	6.1
136.97302	1.7
137.32343	0.3
141.07428	0.3
143.05354	0.7
149.00952	65.9
150.00929	2.1
150.97681	0.2
150.98872	0.8
152.96925	0.4
153.94023	0.3
159.08440	2.2
161.06390	3.1
167.01942	0.3
173.04530	3.1
190.98859	0.2
201.03996	0.5
215.05659	1.0
217.02939	0.5
217.07188	90.8
218.07335	5.2
233.10316	100.0
234.10475	5.6
235.08163	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.0299
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	0.7
57.03446	5.6
59.01374	100.0
60.01711	0.7
60.99308	0.7
67.01881	4.2
68.99815	1.5
69.03463	1.6
70.26197	0.4
71.01376	24.4
71.60728	0.8
72.01737	0.4
72.99285	1.1
73.02934	3.4
74.02464	0.5
78.95898	12.8
78.96366	0.6
79.95737	1.1
80.96513	1.1
81.03438	0.8
83.01385	5.3
83.05021	0.8
85.02941	7.3
87.00855	2.5
88.04056	0.7
93.03457	10.7
96.04550	0.8
96.96014	16.7
96.96973	26.9
97.02971	0.5
99.00886	6.0
101.02453	1.6
103.00401	0.5
104.03561	1.8
105.03835	1.0
107.01389	1.4
107.05019	0.6
108.02185	1.0
109.02943	25.2
110.03316	0.8
111.00868	9.9
111.04523	2.5
112.01187	0.5
113.02499	0.7
115.00372	1.5
116.07175	0.6
120.63082	0.4
125.02451	1.1
125.88441	0.5
128.03569	1.5
129.01932	16.0
132.03020	1.1
133.01445	1.6
135.00853	2.3
135.04588	0.6
138.62395	0.5
139.04108	0.6
141.78740	0.5
145.00775	3.7
147.06636	1.5
151.00388	0.7
151.04031	1.2
153.01921	35.6
155.03534	1.7
160.89281	0.5
173.00914	2.7
173.04526	16.5
173.06027	0.9
188.98453	0.7
188.99889	2.0
191.05635	1.5
192.52817	0.5
214.89241	0.5
214.96536	8.2
215.09238	0.6
232.97391	12.6
233.04509	0.4
233.06541	7.5
233.10387	2.6
233.15446	10.8
234.15771	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	230.9966
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44512	0.4
54.60929	0.4
59.01371	2.6
67.01882	0.7
68.99837	0.4
71.60847	1.0
72.99294	1.1
73.02931	0.5
75.19653	0.4
79.95726	4.0
80.96523	2.5
81.03461	1.5
83.01382	0.5
83.05046	0.5
85.02953	0.5
87.92566	0.7
93.03465	2.2
95.01384	0.6
95.95235	4.2
96.96020	1.5
99.63243	0.5
106.04253	1.9
107.05022	41.7
108.02206	1.3
121.02953	1.5
123.04508	2.2
123.16768	0.5
149.02359	0.7
151.03995	100.0
152.04321	3.1
170.88342	1.9
187.00700	2.1
187.04019	0.6
187.09721	0.7
230.99663	67.2
231.08740	1.3
231.12231	0.7
231.99979	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	231.1237
Annotation	Jioglutin E
Peak:m/z	Relative Intensity
52.54362	0.4
55.44374	0.5
59.01377	31.1
63.84017	0.4
64.48844	0.4
71.62045	0.6
75.00882	1.5
75.78279	0.4
79.95731	3.0
91.07882	0.4
95.95231	0.6
96.96004	10.0
122.03751	0.9
125.09711	0.7
127.11311	2.0
134.03763	1.0
144.60660	0.4
146.72546	0.4
151.11285	3.7
152.03528	11.0
152.67111	0.4
153.09308	0.4
159.04507	0.9
169.12337	27.4
169.34248	0.4
170.12672	0.9
171.10265	100.0
172.10654	3.1
185.11794	1.4
187.07640	0.9
200.46930	0.4
202.06352	0.6
203.10887	0.7
213.09251	1.1
213.11272	10.3
230.56262	1.6
231.07089	7.1
231.10448	3.2
231.12344	65.8
231.57111	1.4
232.05862	1.9
232.12715	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	229.1443
Annotation	Dodecanedioic acid
Peak:m/z	Relative Intensity
56.69600	0.2
57.03440	0.7
59.01038	0.2
59.01352	0.3
59.68158	0.3
66.70084	0.3
69.39088	2.2
71.05000	0.3
79.95718	1.7
83.05024	0.6
85.02920	0.5
95.95252	0.4
96.95952	0.3
98.47884	0.3
125.09702	1.7
127.11285	3.6
130.06618	0.4
144.09035	0.2
155.14406	1.0
165.12825	0.7
167.14380	2.2
171.10263	3.8
176.13892	0.3
183.13864	1.5
185.07190	1.5
193.12366	0.6
201.01869	0.3
209.11768	3.3
211.13380	9.8
229.06187	1.1
229.14423	100.0
230.06172	3.4
230.14775	4.2
249.21614	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	230.0126
Annotation	Paracetamol sulfate
Peak:m/z	Relative Intensity
59.01374	1.9
61.98820	1.7
66.03488	1.6
68.05016	0.7
71.01356	1.2
72.00906	2.1
73.01154	6.5
80.05052	3.1
82.02965	7.3
88.04041	3.6
96.04543	31.3
96.95988	1.1
98.02451	0.9
98.99088	4.9
100.04044	0.8
102.05563	1.3
103.63934	0.7
107.05033	1.6
108.04551	31.4
113.03509	0.8
114.00182	85.5
114.05595	1.5
115.00404	2.3
120.40349	0.7
131.04588	0.8
132.03006	11.9
142.03308	99.3
143.03606	2.8
144.02975	2.1
151.03987	2.2
186.02278	40.8
187.02498	1.5
195.14131	0.8
230.01245	100.0
230.10324	1.4
230.15192	1.3
230.99608	1.7
231.01581	3.0
231.06577	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	227.1288
Annotation	Traumatic Acid
Peak:m/z	Relative Intensity
50.77370	0.5
58.47087	0.3
59.01388	0.6
59.24763	0.3
71.01364	0.4
73.96564	0.3
87.80128	0.4
98.19877	1.3
111.00907	0.4
111.08144	1.0
163.11269	0.5
165.12840	21.0
166.13193	0.7
181.12401	0.4
183.13884	100.0
184.14255	3.9
191.10831	0.5
199.13371	1.0
209.11832	6.2
227.03445	0.7
227.12872	24.2
227.20206	1.1
228.13190	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1289
Annotation	Unknow
Peak:m/z	Relative Intensity
50.81135	0.3
53.58780	0.3
55.01857	0.5
58.00587	0.5
58.76973	0.3
59.01362	1.0
59.01637	0.3
70.45828	0.5
70.46167	0.5
71.01391	0.3
71.05007	0.7
80.02249	0.4
80.02650	2.1
81.03446	1.5
83.01374	0.8
83.05022	6.9
84.02159	4.2
89.71913	0.3
93.03437	0.7
95.05003	1.2
97.06564	0.7
106.46400	0.3
109.06559	0.6
111.00880	0.4
111.08134	0.3
113.06068	0.5
121.02928	0.9
125.06058	0.7
125.09733	0.6
135.08163	0.9
139.11281	0.5
147.11731	0.4
163.11264	5.3
164.11569	0.4
165.12840	4.9
169.12308	0.9
181.12300	1.2
183.13864	3.2
191.10754	1.9
199.13364	5.0
209.11806	100.0
210.12166	4.2
227.03477	0.6
227.07101	0.5
227.09439	0.4
227.12886	10.1
227.20113	1.1
228.13127	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1288
Annotation	Unknow
Peak:m/z	Relative Intensity
50.07996	0.4
52.17678	0.4
53.73858	0.4
59.01360	0.4
71.05003	0.5
71.21767	0.9
80.02666	1.4
81.03458	1.4
83.05025	6.7
84.02164	3.8
95.05011	0.7
114.93865	0.4
125.06053	0.7
135.08133	0.7
163.11293	4.9
165.12828	3.3
171.14014	0.4
181.12291	1.0
191.10802	1.0
199.13376	0.7
209.11813	100.0
210.12155	5.6
227.12872	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	225.1495
Annotation	Blumenol B
Peak:m/z	Relative Intensity
57.03447	0.6
57.67093	0.5
59.01380	4.9
61.98819	1.0
65.00322	1.3
68.99831	1.0
69.14124	0.5
69.26894	2.6
69.27317	1.4
71.01351	0.7
81.03442	0.4
83.02551	0.4
83.05021	1.4
85.02934	0.5
93.03445	2.8
95.05072	0.6
97.02950	1.1
98.20641	0.8
101.02441	0.5
109.02928	0.5
109.06585	1.2
111.83899	0.4
126.90480	0.8
136.98720	0.5
137.02489	1.1
137.09651	0.4
152.08377	0.7
163.11269	2.1
163.14902	1.0
165.01926	0.6
169.12407	0.8
178.83302	0.7
178.99876	0.5
181.12340	2.4
181.15939	0.8
189.12822	0.8
195.02933	1.4
195.13884	6.6
197.15488	4.2
202.69452	0.4
207.10333	5.9
207.13878	22.2
208.14282	1.1
210.05370	1.0
224.90521	1.0
225.00447	1.2
225.07620	1.2
225.11658	10.1
225.14940	100.0
225.92514	0.5
226.11563	0.6
226.15262	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	225.1131
Annotation	Unknow
Peak:m/z	Relative Intensity
51.17218	0.6
56.14650	0.6
59.01365	1.9
69.62640	4.8
80.76686	0.6
83.03179	0.6
93.03487	0.7
97.02954	8.5
99.00874	3.9
109.06586	3.9
110.03710	4.0
125.09723	1.2
135.08127	2.0
136.05276	1.9
138.88559	0.6
142.02676	3.3
158.16219	0.6
161.09744	0.9
163.11273	9.2
164.11635	0.7
179.10796	0.9
181.12321	28.4
182.12689	1.5
197.11908	1.3
207.10243	63.4
208.10548	3.5
225.11296	100.0
226.11626	5.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.1131
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	0.5
57.03417	0.5
59.01375	7.3
69.03436	0.6
69.41758	4.6
71.05015	1.0
73.02947	0.7
80.02670	1.1
81.03468	2.7
83.05018	2.2
84.02168	1.5
85.02956	1.1
93.03458	2.2
95.05025	1.0
96.95982	0.7
97.02940	9.4
97.06600	0.9
98.20648	1.1
99.00853	1.2
99.04514	0.7
106.04250	0.5
107.04968	0.6
109.02957	0.6
109.06581	26.8
110.03740	4.3
110.06920	1.0
115.96471	0.6
121.06589	2.1
123.04457	1.1
125.09750	0.8
135.08118	4.0
136.05296	2.3
137.02458	0.8
142.02713	4.5
161.09717	1.5
163.11275	20.6
164.11649	1.3
179.10736	1.4
181.01534	0.5
181.12325	13.1
182.12610	0.6
189.09134	1.3
195.02956	0.6
197.11836	0.7
199.42082	0.5
207.10234	78.4
208.10582	4.0
225.00420	1.4
225.11293	100.0
226.11629	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	225.113
Annotation	Chloriolide
Peak:m/z	Relative Intensity
57.03433	0.6
59.01376	7.6
61.98833	3.9
61.99133	0.7
65.00323	3.8
68.99817	1.0
69.03442	0.6
69.28190	2.2
69.28622	3.1
71.05022	0.5
72.28477	0.5
73.02934	1.2
78.29605	0.6
80.02649	0.7
81.03449	2.3
83.02485	0.6
83.05026	2.8
84.02165	0.7
85.02956	0.7
92.99876	0.7
93.03465	3.8
95.04994	0.8
97.02950	8.7
97.06564	0.8
99.00854	1.0
105.91184	0.5
106.04226	0.7
109.02972	0.7
109.06582	20.5
110.03732	2.5
121.02966	0.7
121.06612	1.2
123.04489	0.6
125.09721	1.0
126.90517	0.9
135.08171	3.7
136.05281	1.7
136.98766	1.5
137.02451	1.2
142.02719	4.1
161.09686	2.3
163.11279	15.7
164.11630	0.7
165.01945	0.6
165.09111	0.7
179.10797	0.9
181.01360	0.7
181.12337	12.7
182.12653	1.1
189.09207	1.1
195.02985	1.0
197.11845	0.9
203.70235	0.5
206.99222	0.6
207.10242	72.3
208.10623	2.9
210.05273	0.6
219.58365	0.5
224.90373	0.7
225.00276	1.5
225.11295	100.0
225.92627	0.7
226.11633	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	225.1131
Annotation	Unknow
Peak:m/z	Relative Intensity
51.15810	0.6
57.03430	0.8
58.31678	0.7
59.01377	6.6
59.07234	0.6
61.98806	0.8
69.03459	1.2
70.89371	1.0
70.89715	1.3
71.01383	0.9
71.04997	0.7
73.02952	0.6
80.02692	0.9
81.03454	1.9
83.01379	0.6
83.05010	2.5
84.02142	1.4
93.03466	3.2
95.05005	1.5
97.02938	6.8
99.00877	1.5
101.02438	0.7
109.02914	0.8
109.06590	18.2
110.03723	4.4
121.06608	1.5
123.04545	0.8
125.09763	0.8
135.08144	2.5
136.05333	1.0
137.02426	1.0
142.02705	3.5
153.12877	0.7
161.09694	1.2
163.11272	17.2
179.10793	1.3
181.12323	15.9
182.12674	0.9
189.09201	1.1
195.02930	1.3
197.11723	0.6
207.10245	64.9
208.10596	3.2
210.05298	1.0
211.23947	0.7
225.00407	1.7
225.11301	100.0
226.11615	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	223.1338
Annotation	Apiosporic acid
Peak:m/z	Relative Intensity
57.03438	1.7
59.01378	5.3
59.39711	0.6
61.53049	0.6
64.28408	0.7
67.29102	0.6
69.03458	6.2
69.28635	2.1
69.29050	4.6
71.05002	1.0
71.17294	0.6
83.05054	1.1
95.04998	0.6
106.26558	0.7
108.05793	0.7
109.06594	1.4
127.54023	0.6
129.91307	0.7
149.09636	0.9
167.10759	8.8
177.12827	1.0
179.10872	3.4
179.14403	7.9
195.13889	23.9
196.14265	1.2
205.12314	21.3
223.13374	100.0
224.13739	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	225.0629
Annotation	1,3,7-Trimethyl-5-hydroxyisourate
Peak:m/z	Relative Intensity
59.01359	1.0
65.69433	0.8
69.70778	3.0
69.71190	1.7
75.46245	0.6
83.02504	100.0
84.00220	0.6
84.02821	1.4
98.20013	1.4
99.08141	2.0
111.01990	3.2
124.05144	1.0
126.06757	1.6
135.62540	0.6
140.04649	6.4
143.07097	0.9
146.06093	1.9
161.08205	0.9
168.04135	33.4
180.40704	0.6
180.98796	0.7
181.07327	1.8
183.08797	1.5
201.07326	0.7
207.02998	1.1
225.06244	47.4
226.01820	1.6
226.06509	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.0452
Annotation	Sphagnum acid
Peak:m/z	Relative Intensity
53.49522	0.4
54.06084	0.3
54.87654	0.4
55.01876	10.6
59.01376	10.7
69.48229	2.9
73.02935	0.7
80.71112	0.3
85.02992	0.5
93.03440	0.6
101.02421	0.4
109.02896	0.8
115.05504	1.2
120.73080	0.4
121.02925	0.5
123.04525	2.0
131.05025	9.0
133.06586	100.0
134.06911	2.6
142.06613	2.5
158.03801	0.4
159.04498	12.1
161.04553	0.9
177.05542	3.8
203.03479	4.8
210.68376	0.4
221.04535	7.7
221.08012	1.8
222.02330	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	218.0093
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	0.4
59.01371	3.0
60.01701	0.9
64.63314	0.4
65.99849	0.9
71.01397	1.0
71.05012	0.4
74.02469	1.8
76.01909	2.0
79.95740	0.4
82.02990	0.4
85.02934	0.4
88.04044	3.5
90.03492	0.8
92.05056	0.7
93.03461	0.8
94.03774	0.8
95.90988	0.3
95.99390	0.3
96.96008	0.5
98.02461	0.6
98.19847	0.7
108.04526	1.4
109.02963	0.7
118.02992	3.9
118.74329	0.3
119.01356	0.5
130.02980	18.6
131.03320	0.8
133.01640	1.5
134.02486	0.5
137.02460	0.9
138.02757	2.5
139.04027	0.8
146.02469	12.8
146.04573	1.3
146.08234	1.6
147.02730	0.5
162.02013	0.4
174.01944	100.0
175.02306	2.8
175.99605	0.6
192.23448	0.4
204.04222	0.5
217.98528	0.8
218.00836	5.5
218.04936	0.5
218.08244	0.7
218.10342	1.5
219.17509	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	221.0453
Annotation	Sphagnum acid
Peak:m/z	Relative Intensity
51.70459	0.3
55.01615	0.6
55.01876	9.5
55.24395	0.3
59.01377	4.8
69.48006	1.7
69.48435	1.0
70.26392	0.3
73.02952	0.4
88.33405	0.3
104.59631	0.3
107.74324	0.3
112.82057	0.3
115.05524	1.2
131.05019	8.9
133.06587	100.0
134.06934	3.0
142.06641	0.6
158.03670	0.6
159.03185	0.6
159.04506	11.3
159.77002	0.3
160.04820	0.4
161.04526	0.5
177.05566	4.3
195.68752	0.3
203.03474	4.3
221.04536	8.8
222.04747	0.4
224.94321	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	216.0875
Annotation	Unknow
Peak:m/z	Relative Intensity
50.48022	0.3
56.98645	0.3
59.01371	2.8
71.01376	1.5
71.05019	1.3
71.28111	0.6
72.00904	38.3
72.04550	3.7
73.01263	0.4
96.96002	0.6
98.02470	11.7
100.04044	3.9
126.05585	0.4
128.60413	0.3
128.67882	0.3
144.03017	100.0
145.03314	1.8
173.04625	0.4
174.99225	0.5
216.06491	0.5
216.08762	5.1
217.00247	0.6
217.09122	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	217.1079
Annotation	3-Hydroxysebacic acid
Peak:m/z	Relative Intensity
59.01376	15.1
62.96388	0.5
63.16669	0.3
63.62981	0.4
71.61978	0.5
73.02955	0.4
93.03494	0.4
96.95977	0.4
113.09724	0.8
125.09663	1.1
127.04026	0.4
127.11298	1.9
137.09749	2.4
153.09184	1.1
155.10773	35.0
156.11124	1.5
157.08682	0.4
171.10257	43.0
172.10574	1.4
173.11746	0.4
174.99252	0.8
181.08684	0.9
189.01965	3.7
199.09737	6.3
217.01375	2.6
217.04201	1.2
217.10782	100.0
218.11147	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	216.0874
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01364	0.7
61.98825	0.5
62.25755	0.3
71.01371	1.7
71.05015	1.2
72.00902	39.5
72.04536	3.7
72.99294	0.6
73.01228	0.3
74.02482	0.3
79.95718	0.5
81.03494	0.3
83.05045	0.4
86.02470	0.5
86.93772	0.3
87.00866	0.9
88.04031	1.1
88.89036	0.3
89.02421	0.4
93.03448	1.5
98.02464	12.8
98.19890	1.0
99.47941	0.3
100.04031	4.4
101.02395	0.5
109.03069	0.3
110.06171	0.3
111.04485	0.5
126.05592	0.6
128.03531	1.0
137.02446	1.1
144.03014	100.0
145.03343	1.6
154.05077	0.4
167.00752	0.5
170.04573	0.4
173.04471	2.4
180.47623	0.3
181.07155	0.9
198.04129	0.4
216.05598	0.5
216.08728	5.6
217.03371	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	216.0875
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	1.9
60.85391	0.4
69.41014	2.4
71.01383	1.7
71.05028	1.7
72.00905	40.1
72.04547	3.4
79.29286	0.3
85.28419	0.3
96.96014	0.5
98.02472	12.4
98.20664	0.5
98.39256	0.4
99.00907	0.3
100.04037	4.4
107.58331	0.3
126.05640	0.5
130.48779	0.3
144.03026	100.0
145.03391	1.8
154.79318	0.3
174.99258	0.6
215.63914	0.3
216.06602	0.4
216.08745	4.5
217.00371	0.6
235.09964	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	215.0711
Annotation	CHEBI:70632
Peak:m/z	Relative Intensity
57.03448	0.3
59.01369	0.5
65.00310	0.2
71.01376	0.5
71.04989	0.3
83.05043	0.2
85.02911	0.3
85.96526	0.2
87.00859	0.8
89.02436	0.4
99.00861	0.2
101.48318	0.2
125.09724	0.5
127.11288	0.2
127.83301	0.2
144.00909	1.6
151.11272	0.2
152.98294	0.2
153.12840	15.3
154.13145	0.6
159.04486	0.2
171.01961	0.3
171.13948	0.4
172.05266	2.4
173.05608	0.2
187.03867	0.2
187.07574	0.5
197.11807	15.3
198.12181	0.8
200.04770	25.8
201.05084	1.2
215.01041	11.4
215.07106	100.0
215.12825	35.9
216.01329	0.7
216.07458	5.2
216.13097	1.4
232.03743	10.3
233.04019	0.5
233.71204	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	215.0923
Annotation	Isoketocamphoric acid
Peak:m/z	Relative Intensity
57.03434	0.7
59.01365	1.7
65.75298	0.8
68.44898	0.6
71.01418	0.8
74.97248	0.6
79.18170	0.7
79.95739	3.9
92.50977	0.6
93.03497	0.7
98.19907	1.6
114.35726	0.8
125.09726	6.7
126.02189	0.8
127.11250	4.6
143.10744	6.1
144.00888	3.0
153.09189	2.6
166.00018	5.2
171.01985	1.1
171.10254	100.0
172.10596	2.7
175.00513	4.4
187.04010	2.2
215.00992	27.0
215.03304	1.5
215.07330	3.1
215.09204	84.8
216.01167	1.7
216.09586	2.9
219.38538	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1495
Annotation	Putaminoxin E
Peak:m/z	Relative Intensity
51.06437	0.3
57.03439	0.5
58.59910	0.4
59.01366	0.6
74.38617	0.3
96.96011	1.6
169.12300	0.7
177.12746	0.4
183.13892	26.9
184.14236	1.3
195.13889	23.1
196.14311	0.9
197.99182	1.1
211.13394	0.6
213.01703	0.5
213.14948	100.0
214.01486	0.4
214.15294	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	213.1131
Annotation	2,2'-(3-methylcyclohexane-1,1-diyl)diacetic acid
Peak:m/z	Relative Intensity
50.66296	0.3
57.03449	0.3
63.67054	0.4
70.63070	1.0
97.06585	0.9
98.19881	0.5
105.21272	0.3
151.11278	12.3
152.11620	0.4
154.20120	0.3
169.12323	100.0
170.12672	3.9
192.11591	0.3
195.10239	0.9
197.99106	0.3
213.11301	21.7
213.14821	1.0
213.18591	0.3
214.05035	0.5
214.11581	1.1
227.43750	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1243
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03456	2.4
57.97552	2.5
58.02972	100.0
59.01358	2.2
61.00428	8.3
61.98813	2.0
69.03442	1.6
70.02981	1.9
71.60735	2.1
72.00896	2.5
79.95744	3.5
82.02985	1.8
83.05033	1.5
85.02942	1.6
87.00880	1.9
91.28600	1.5
96.00934	3.6
113.01772	3.4
125.09687	1.8
126.12903	17.2
131.04634	1.9
142.05095	18.0
151.07645	1.7
152.10799	6.7
152.91684	1.7
158.06302	2.2
169.12263	2.8
169.13490	19.1
170.11868	11.0
183.13869	3.0
195.11340	2.1
196.09848	3.2
213.05643	2.2
213.07661	3.9
213.09500	2.7
213.12396	10.6
213.14803	12.6
213.18564	7.4
214.04031	4.1
214.07069	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	211.0835
Annotation	Glycyl-L-histidine
Peak:m/z	Relative Intensity
62.11771	0.3
70.45995	1.5
83.02505	4.4
96.95995	0.7
97.04069	25.6
102.58379	0.4
110.03601	13.2
124.08302	0.4
126.06725	0.4
130.92867	0.4
136.05142	2.0
139.03865	0.7
143.03291	0.5
150.09251	0.8
154.06201	3.2
157.55472	0.4
167.05489	1.0
168.06517	25.6
183.08864	11.6
184.09152	0.6
193.07300	2.2
196.06038	1.1
211.08344	100.0
212.08739	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	211.1338
Annotation	7-Oxo-11-dodecenoic acid
Peak:m/z	Relative Intensity
63.76989	0.3
69.03409	0.5
71.38252	0.6
74.54224	0.3
83.05038	0.6
93.03467	0.4
97.82822	0.3
129.60408	0.4
165.12805	0.4
167.10840	0.6
167.14375	1.5
183.13889	12.2
183.15555	0.7
184.14143	0.8
192.04868	0.4
193.12347	2.8
209.16151	0.4
211.13367	100.0
212.13699	4.6
226.78514	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1338
Annotation	Unknow
Peak:m/z	Relative Intensity
54.02349	0.3
63.82077	0.3
69.03455	0.8
69.26546	1.8
69.26964	1.1
83.05032	0.5
98.19839	0.7
98.65176	0.3
110.53687	0.4
128.24515	0.3
165.12830	0.5
167.10779	0.6
167.14409	1.3
183.13889	12.1
184.14186	0.6
193.12340	3.2
211.13380	100.0
212.13718	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	213.1131
Annotation	Unknow
Peak:m/z	Relative Intensity
51.70628	0.4
57.03449	0.5
59.01382	0.9
59.32936	0.3
61.06082	0.4
63.46807	0.3
69.03445	0.6
85.28622	0.4
91.64030	0.3
93.03465	0.4
97.02995	0.7
97.06619	0.7
125.02465	0.5
125.09727	1.0
151.11278	12.6
152.11658	0.4
168.98967	0.7
169.12331	100.0
170.12711	3.2
185.11795	0.6
195.10240	1.2
195.13812	0.5
197.99174	1.2
213.01541	1.2
213.05734	0.6
213.11307	18.0
213.14754	3.7
213.18607	1.0
214.11555	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	210.0406
Annotation	5-(2'-Formylethyl)-4,6-dihydroxypicolinate
Peak:m/z	Relative Intensity
58.55706	0.3
64.01930	0.7
64.26712	0.3
70.88467	0.6
70.88789	0.6
77.03963	0.5
78.95905	0.4
79.95724	1.0
80.96547	0.4
87.10065	0.4
94.02984	0.6
94.06622	0.4
95.97585	0.4
96.96013	0.7
103.04282	2.2
104.05056	33.1
105.05388	0.8
108.13860	0.3
120.04548	4.7
122.02494	0.4
122.06126	1.5
122.47073	0.4
124.04013	1.7
130.08763	0.4
135.03355	0.4
136.07613	0.4
148.04034	54.0
149.04370	2.0
166.05075	100.0
166.91072	0.7
167.05431	2.9
192.17332	0.4
210.04050	16.1
211.13345	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1181
Annotation	Libanotic acid
Peak:m/z	Relative Intensity
50.25344	0.6
57.03442	5.3
58.00584	0.7
59.01372	2.4
61.98826	3.9
65.00317	0.9
69.03454	1.8
69.17439	0.6
69.29342	1.6
69.29757	3.6
71.01379	15.3
71.05007	1.7
73.02937	1.0
77.48053	0.5
80.02670	1.5
81.03444	2.8
83.01385	7.4
83.05032	4.3
84.02159	2.0
85.02952	1.1
92.99818	1.6
93.03445	1.7
94.02945	0.6
95.05016	2.1
96.96021	1.2
97.02973	0.9
97.06585	4.9
107.05026	1.0
108.02154	0.7
109.06567	1.0
111.08168	2.4
112.01601	1.1
121.02948	29.5
122.03280	0.8
123.08157	1.4
124.04040	1.8
125.02390	0.8
125.09714	11.0
134.03722	1.6
135.04457	0.6
135.08168	1.6
137.09665	0.9
145.10233	2.5
147.11778	2.6
150.90668	0.6
151.11264	21.2
152.11595	0.8
153.12799	3.0
161.09695	1.1
163.11261	9.5
164.98212	0.9
165.09161	0.6
165.12836	17.8
167.10762	1.7
173.09705	1.9
179.10773	4.3
181.12321	42.5
182.12686	1.8
191.10759	19.4
207.10536	0.7
209.04544	6.1
209.11809	100.0
209.94867	1.3
210.12175	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	209.1181
Annotation	(R)-(+)-Patulolide B
Peak:m/z	Relative Intensity
54.31540	0.2
55.01874	2.4
57.03451	1.9
59.01372	0.6
61.35428	0.2
61.98827	0.3
69.03448	0.7
70.94011	0.2
70.94341	0.5
71.01367	0.7
71.05011	0.6
80.02672	0.9
81.03458	4.3
83.01383	26.5
83.05015	3.3
84.01702	0.4
84.02160	1.3
89.77499	0.2
92.99789	0.6
93.03448	0.8
95.05020	1.5
97.02963	0.3
97.06578	4.3
99.04536	0.4
108.02210	0.3
109.06586	0.4
110.03760	0.3
111.08161	0.7
118.94199	0.3
120.02174	0.5
121.02950	10.0
121.06599	0.3
123.08156	1.7
124.04041	0.5
125.06052	0.4
125.09717	22.8
126.10050	0.7
134.03749	0.4
135.08156	2.0
136.98772	0.4
145.10233	0.3
147.11794	1.1
149.09766	0.4
151.11296	0.4
153.12791	0.3
162.13287	0.2
163.11272	10.1
164.98291	0.4
165.09160	0.3
165.12827	3.5
167.10738	0.7
173.09700	0.6
175.52548	0.3
181.12320	1.7
191.10770	8.1
191.82730	0.3
192.11093	0.4
209.04593	1.9
209.11809	100.0
210.12158	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	209.1182
Annotation	Pulchellon
Peak:m/z	Relative Intensity
50.03316	0.8
52.41949	0.9
52.95445	0.7
56.11940	0.8
57.03429	4.0
57.16400	0.8
58.28305	0.9
59.01378	10.2
69.03452	23.4
71.05016	3.2
80.02686	0.9
83.05009	2.2
93.03444	2.7
95.05001	1.7
96.96014	1.2
97.06554	1.0
97.33897	0.9
108.05831	1.0
109.06589	1.7
111.08167	4.6
112.32853	0.8
121.02142	1.1
121.02950	13.9
121.10223	2.3
135.08127	2.3
139.07738	1.2
147.11783	2.4
153.09236	6.8
163.11293	3.7
164.10162	1.0
165.09178	2.2
165.12830	18.0
169.87279	0.9
173.09674	1.5
181.12326	24.4
191.10753	27.2
192.11050	1.1
209.04558	2.3
209.11807	100.0
210.12129	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	209.1182
Annotation	(-)-Jasmonic acid
Peak:m/z	Relative Intensity
51.78761	0.3
59.01381	2.0
59.75201	0.4
61.98820	2.6
70.51550	1.1
70.51901	0.5
71.68542	0.4
83.01382	0.6
92.99813	1.6
94.02971	0.7
95.04996	0.4
96.95963	0.5
98.01749	0.4
109.52782	0.5
118.94206	0.7
120.02169	0.8
121.02954	24.6
122.03294	0.6
124.04058	1.3
125.09748	0.6
136.26575	0.4
137.02409	0.5
139.92026	0.4
165.12875	0.6
167.10724	0.9
181.12338	0.5
191.10847	0.5
209.04619	4.1
209.11818	100.0
209.94821	0.7
210.12181	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	209.1181
Annotation	(-)-Jasmonic acid
Peak:m/z	Relative Intensity
52.23721	0.4
57.03440	3.2
59.01374	100.0
60.01712	0.8
63.06104	0.4
69.82050	1.0
69.82456	1.5
69.95047	0.5
75.76959	0.5
77.31020	0.4
79.13649	0.5
80.02674	1.0
81.03450	1.4
97.06589	3.5
106.79704	0.4
109.06571	3.7
121.02944	6.8
123.50832	0.4
165.12840	4.3
189.00409	0.5
209.04517	0.8
209.11797	23.4
210.12094	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1181
Annotation	(+)-7-Isojasmonic acid
Peak:m/z	Relative Intensity
57.03442	7.4
58.00602	0.5
59.01373	3.9
61.98824	1.6
69.03436	2.0
69.33237	5.1
71.01377	15.5
71.05001	1.1
71.97564	0.6
73.02917	1.2
80.02647	2.4
81.03443	2.0
83.01373	3.5
83.05025	5.3
84.02176	1.3
89.02459	0.6
92.99801	3.0
93.03439	1.5
94.02983	1.2
95.04999	3.1
96.96008	0.9
97.02930	0.8
97.06590	4.3
106.04213	0.9
107.05016	0.6
108.02155	0.7
109.02943	0.5
109.06580	0.9
111.08150	3.4
112.01629	0.7
116.43891	0.6
118.94193	0.8
120.02132	1.0
121.02948	39.0
122.03271	1.2
123.08129	1.4
124.04034	2.0
125.02433	0.6
125.09721	8.3
134.03760	0.7
135.08163	0.9
136.01682	0.6
136.98795	0.6
137.02481	0.6
137.09682	1.2
144.00595	0.6
145.10239	1.7
147.11784	2.1
149.09650	1.5
151.11272	20.2
152.11682	0.6
153.12845	2.4
161.09740	1.0
163.11275	8.4
165.09135	0.8
165.12839	21.3
166.13118	1.3
167.10744	3.2
173.09711	2.0
179.10757	6.4
181.12321	32.4
182.12685	1.3
191.10765	15.0
192.11037	0.6
194.05914	0.8
209.04562	7.5
209.11810	100.0
210.12187	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	209.03
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	1.3
57.03443	11.4
58.00583	0.9
58.99596	0.8
59.01375	17.4
62.31538	0.7
68.60448	0.6
68.99818	2.0
71.01376	25.2
72.99297	6.8
73.02946	1.7
75.00865	5.6
78.91871	0.7
78.95902	5.8
79.95737	2.0
80.91672	2.5
80.96519	0.6
83.01370	3.8
84.02175	3.3
85.02943	100.0
86.03294	0.9
87.00868	14.5
89.02438	11.6
93.03455	1.7
96.96007	9.0
96.96948	4.7
99.00861	2.9
101.02452	1.7
103.00380	2.1
103.04295	0.8
104.05062	11.2
110.98518	1.5
111.00885	3.4
112.98804	3.6
115.00358	2.8
115.03981	0.7
120.04526	2.5
121.02951	4.5
121.06570	1.4
122.02507	0.9
122.06111	1.2
129.01936	12.0
130.05084	1.6
131.03474	0.8
131.08255	2.2
133.01410	11.9
133.41801	0.6
135.04526	0.8
137.02455	0.8
139.60704	0.6
142.99852	14.9
147.02983	3.9
148.04036	20.7
148.05232	1.1
152.04538	0.6
159.03006	1.4
165.01941	0.8
165.05544	2.4
166.05075	33.3
173.00890	6.0
173.04454	0.8
173.10461	1.0
191.01955	17.9
191.05591	1.5
192.02278	0.9
194.02115	0.8
208.84880	1.5
209.02991	32.2
209.06508	13.9
209.11830	1.5
210.00893	3.4
210.04141	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	209.1181
Annotation	(R)-(+)-Patulolide B
Peak:m/z	Relative Intensity
55.01872	0.9
57.01301	0.5
57.03443	3.5
57.61295	0.4
59.01371	4.9
60.34907	0.4
61.98824	5.6
65.00308	0.9
67.01859	0.6
68.99816	0.9
69.03440	1.8
69.64544	3.1
71.01365	1.1
71.05033	0.5
80.02678	1.1
81.03443	2.0
81.33508	0.5
83.01382	13.6
83.05016	7.2
84.02191	0.5
91.01884	0.6
92.02836	0.5
92.99812	3.5
93.03439	1.6
94.02985	0.7
95.01424	0.8
95.05022	1.7
96.95994	1.4
97.06581	3.4
98.20555	0.6
107.05025	0.5
108.62765	0.5
109.06577	0.8
111.08169	0.8
118.94201	1.1
121.02946	59.2
122.03269	1.1
123.08172	2.8
124.04050	3.4
125.06161	0.6
125.09718	19.8
126.10035	0.8
135.04483	0.9
135.08147	1.6
136.98790	1.6
137.02371	0.6
137.06133	0.9
147.11812	1.1
149.09727	1.3
155.02406	0.4
161.02361	0.6
163.11305	5.2
164.98320	0.9
165.01953	0.6
165.05582	0.7
165.09175	0.6
165.12837	6.9
166.02650	0.4
167.10759	25.8
168.11069	0.8
173.09689	0.7
179.03482	1.2
181.12331	2.4
191.10756	5.0
194.02226	0.5
194.05879	1.5
209.00842	0.7
209.04543	11.2
209.11807	100.0
209.94850	2.7
210.12238	3.8
213.71484	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.0509
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	2.4
57.03437	3.4
59.01374	100.0
61.98826	26.0
68.50853	1.9
70.07141	6.4
70.07548	4.6
71.01380	10.7
72.99297	4.7
73.58642	2.2
75.00865	12.1
80.91681	4.0
84.76006	2.2
85.02940	8.4
89.02435	2.2
93.03489	3.0
96.95995	14.0
97.00836	2.2
99.00883	5.6
101.02474	4.9
108.93736	3.0
121.02966	3.7
122.02429	2.8
123.00901	3.2
123.04495	2.9
129.01926	27.1
135.04541	3.5
146.86615	2.5
147.03008	29.5
148.96744	2.6
149.02431	6.5
150.94830	4.7
163.00334	2.5
163.06184	3.1
163.07587	3.0
164.89529	3.8
170.88326	61.7
175.00533	2.3
177.01924	37.9
188.89456	2.5
192.00600	4.2
192.04257	47.9
206.78859	3.9
206.86069	2.6
207.02979	6.9
207.04985	5.5
207.06700	20.6
207.10175	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	207.1025
Annotation	(+)-4,5-Didehydrojasmonic acid
Peak:m/z	Relative Intensity
52.62145	0.9
55.01880	0.7
57.03429	3.0
59.01377	67.0
60.01719	1.1
61.98813	2.4
67.01879	1.7
69.03466	1.0
71.01376	4.9
73.02959	1.3
75.00855	4.5
80.02681	5.1
81.03458	10.6
83.05025	9.7
85.02947	4.2
89.02460	1.0
91.01900	1.4
93.03452	2.6
94.03008	0.9
95.04993	1.9
97.02942	7.4
98.19855	2.1
99.00842	2.3
99.71885	0.8
101.02443	1.5
106.04247	0.8
106.27708	0.9
107.05008	4.2
109.02950	1.0
109.06586	100.0
110.03706	2.0
110.06924	3.9
114.05579	0.9
117.01920	1.8
121.02942	1.2
121.06586	7.5
123.04494	2.0
124.16527	0.7
124.55508	0.9
129.01945	11.4
133.02969	4.8
133.06567	1.8
135.04504	2.4
135.08176	13.8
136.05252	2.4
142.02699	3.2
145.10236	2.0
147.03001	8.1
148.05298	1.2
149.02396	2.6
151.07629	0.9
161.09712	5.2
163.03932	1.2
163.06107	1.6
163.07573	1.9
163.11276	43.2
164.11635	1.8
165.09203	1.0
177.01909	15.8
179.10712	1.1
189.09230	2.0
192.00626	1.7
192.04272	31.4
193.04620	1.5
207.02940	3.4
207.04980	1.6
207.06760	11.6
207.10236	65.0
207.13637	2.1
208.10559	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	205.1596
Annotation	beta-Irone
Peak:m/z	Relative Intensity
50.50694	0.2
59.01373	1.3
59.42530	0.2
61.98831	0.4
63.99731	0.2
70.94672	0.3
71.01369	0.4
72.99304	0.2
99.00903	0.1
108.51860	0.1
115.00354	0.3
116.53548	0.1
189.12822	1.7
190.02765	0.2
205.15956	100.0
206.16295	5.3
216.48106	0.2
229.72369	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	206.082
Annotation	N-Acetyl-L-phenylalanine
Peak:m/z	Relative Intensity
53.04657	0.7
53.53843	0.5
58.02972	33.3
67.76265	0.7
70.01418	2.7
70.02975	12.2
72.00909	5.5
72.45005	0.6
91.05531	14.0
103.05551	1.3
147.04510	40.1
148.04861	1.5
159.11113	0.6
162.09230	1.0
164.07152	100.0
165.07469	2.4
182.02640	0.6
186.69754	0.6
206.08194	41.9
207.08469	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	206.082
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03487	0.6
58.02972	39.9
59.01384	2.0
69.44262	4.0
69.44669	1.2
69.47687	0.7
70.02978	12.1
72.00900	4.0
91.05526	13.3
92.84066	0.6
103.05535	1.4
135.04567	1.1
147.04517	36.0
148.04839	1.3
162.09244	1.2
164.07153	100.0
165.07495	3.2
199.98636	0.7
206.08199	44.8
207.08591	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	205.0351
Annotation	(2S,3R)-3-Hydroxybutane-1,2,3-tricarboxylate
Peak:m/z	Relative Intensity
50.54986	1.8
55.01863	4.0
56.86422	1.6
57.03449	4.4
58.02977	3.5
59.01377	55.2
61.73585	1.7
61.98833	10.4
67.01886	8.2
68.99817	5.7
69.38082	14.0
71.01376	57.2
71.05001	2.0
72.99307	37.4
73.02943	19.7
75.00871	20.2
83.01392	11.0
83.05015	2.5
85.02931	10.2
87.00873	39.1
89.02445	5.0
96.99305	4.3
99.00865	26.8
99.04525	5.9
101.02418	15.5
103.00370	4.2
111.00871	100.0
112.98814	6.4
113.03582	5.9
114.01970	4.3
115.00364	65.7
115.04014	3.1
117.01960	13.0
124.98772	9.7
125.02471	12.7
127.00375	7.9
127.04052	1.7
129.01935	14.3
131.04617	14.3
142.99864	17.7
143.03505	4.1
145.01399	11.0
145.05093	2.7
146.97032	5.4
147.02998	4.0
154.99837	19.8
161.04367	2.3
173.00929	12.8
175.02441	6.6
204.97527	3.2
205.03526	10.5
205.05226	3.2
205.07176	4.2
205.09041	4.0
205.10802	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.0825
Annotation	D-Tryptophan
Peak:m/z	Relative Intensity
51.66370	0.6
59.01360	2.6
71.07037	1.4
72.00903	27.3
74.02466	30.5
74.82478	0.6
100.88203	0.6
116.05052	100.0
117.05373	3.9
130.06606	2.6
142.06610	25.8
143.06992	1.3
159.09274	17.3
160.04034	0.8
161.04820	0.8
186.05589	3.6
203.08240	77.5
204.08536	2.4
208.87166	0.7
220.52150	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.9996
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	14.4
60.01710	6.2
60.02033	0.1
61.01802	1.9
61.98825	100.0
71.01397	0.2
71.60357	0.2
72.99294	0.1
81.13068	0.1
115.00354	0.1
143.86440	0.4
160.03683	0.5
161.01128	0.2
162.01521	0.4
191.59244	0.1
203.99997	1.0
204.02646	3.1
204.06470	0.2
205.02638	0.2
205.15840	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.9996
Annotation	Unknow
Peak:m/z	Relative Intensity
51.52147	0.1
59.01376	13.1
60.01710	5.5
60.02027	0.2
61.01803	1.4
61.98825	100.0
62.02135	0.2
62.98529	0.2
69.48743	0.6
71.01394	0.1
102.69019	0.1
112.32564	0.1
143.86523	0.5
159.03294	0.2
160.03636	0.5
161.01256	0.2
162.01643	0.3
173.50914	0.1
189.04355	0.1
204.00006	1.1
204.02766	2.5
204.06580	0.1
205.05057	0.1
205.15996	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	204.03
Annotation	Xanthurenic acid
Peak:m/z	Relative Intensity
56.55729	0.2
58.62111	0.2
59.01369	0.4
71.01403	0.3
71.05960	0.7
72.99320	0.2
77.34154	0.3
91.01912	0.3
113.45656	0.2
116.05056	16.5
117.05366	0.6
128.96187	0.2
131.03729	0.5
132.04564	1.6
158.06078	0.6
159.03238	1.8
160.04024	100.0
161.04344	2.8
186.05519	0.3
204.02991	16.0
204.06635	0.7
205.03186	0.4
205.05064	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	204.0876
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	11.5
57.04899	0.7
58.02977	0.9
59.01375	15.6
60.01688	2.2
61.98827	58.4
69.03438	1.1
69.40826	5.7
69.55014	0.8
71.01376	31.9
72.00899	1.4
72.99306	5.2
73.02946	2.3
74.02459	2.0
75.00871	3.6
83.01383	2.0
84.04545	1.8
85.02946	10.1
87.00883	4.3
88.04037	73.0
89.02422	1.0
94.60958	0.7
99.00884	3.6
101.02419	1.3
102.05595	9.0
111.00875	6.0
111.01613	0.7
112.04030	0.9
112.98795	1.4
115.00364	5.5
115.04000	1.5
116.03540	1.0
117.01904	1.5
118.97555	1.4
124.98824	1.2
125.02468	2.5
128.63495	0.9
129.01942	1.4
132.06659	100.0
133.06889	1.1
135.04530	0.9
142.99875	1.7
144.95428	1.0
145.01477	1.0
146.04587	0.9
146.97047	5.1
154.99849	1.6
160.04031	7.8
160.06131	1.1
175.02383	0.8
180.36336	0.8
203.99159	1.7
204.02615	1.3
204.08754	32.1
204.97513	1.6
205.08867	0.9
205.15944	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	199.1338
Annotation	UNII-UOM92D5748
Peak:m/z	Relative Intensity
50.32472	0.3
50.82139	0.3
54.89818	0.4
57.03448	0.5
58.33371	0.3
59.01368	1.6
67.01864	1.2
68.99798	0.7
69.03442	0.9
70.07234	1.7
71.01375	0.9
71.05020	2.2
72.58228	0.3
73.02949	0.8
81.03436	0.4
83.01378	1.1
83.05017	0.7
84.76821	0.3
85.02947	1.1
87.00895	0.4
92.99813	1.6
95.05010	0.5
97.02929	0.3
97.06583	0.5
99.00883	1.5
99.04501	0.4
99.08163	0.6
109.02905	0.4
111.00853	1.0
111.04554	0.4
113.02450	3.6
125.02438	0.4
125.09719	0.4
126.30927	0.3
127.00402	0.4
127.04012	1.8
136.98807	0.7
137.09702	0.7
154.99831	0.4
155.10747	4.1
163.11298	1.2
164.83585	0.4
169.12331	5.7
171.10249	0.7
180.97752	0.5
181.12320	18.4
182.12691	0.7
197.11777	1.6
199.06100	1.2
199.09663	3.0
199.13380	100.0
199.16957	2.5
199.80515	0.4
200.13708	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	201.1131
Annotation	Sebacic acid
Peak:m/z	Relative Intensity
51.10138	0.4
52.87785	0.4
57.03442	6.2
58.89844	0.4
59.01378	3.8
69.03439	0.8
70.62650	0.8
70.63022	0.9
100.60795	0.5
111.08144	5.6
134.48071	0.5
137.09709	2.1
137.88789	0.4
139.11278	94.5
140.11589	2.6
157.12305	1.4
160.08006	0.5
181.31537	0.4
183.10243	46.3
184.10551	1.7
201.11302	100.0
202.11653	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	199.0974
Annotation	2-Hydroxycampholonic acid
Peak:m/z	Relative Intensity
50.18220	0.8
50.36258	0.9
55.96492	0.9
57.03439	2.0
58.00582	7.2
59.01374	4.5
67.01878	3.6
69.03439	4.1
69.35965	7.9
71.01381	6.3
71.05006	3.7
72.99298	1.0
73.02941	18.9
83.01378	2.9
83.05032	3.2
84.02159	3.0
85.02951	2.6
92.99831	3.5
95.05006	1.9
97.02931	1.1
97.06588	3.4
98.19885	2.0
99.04550	1.2
109.06593	2.1
111.00856	2.1
111.04527	1.4
113.02450	3.9
123.08177	2.6
125.06086	7.1
125.09719	11.9
127.04016	2.1
127.11281	6.9
135.08153	3.0
136.98782	1.5
137.09709	19.9
141.09187	2.2
143.10744	3.5
151.07652	4.4
153.09219	5.5
155.10771	99.8
156.11137	2.9
163.07594	1.9
169.24742	0.9
171.10254	44.3
172.10614	2.6
181.08687	8.0
183.45818	1.0
199.03964	2.0
199.09747	100.0
199.13457	7.6
199.16878	6.4
200.10063	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	197.1183
Annotation	(-)-Hydroxydihydrobovolide
Peak:m/z	Relative Intensity
59.01373	1.2
61.98824	2.4
65.00318	0.7
69.03443	1.0
69.70767	3.1
71.01373	4.8
71.04990	1.1
75.36420	0.5
80.96526	0.6
81.03480	0.6
83.05034	0.7
85.19249	0.5
92.03410	0.5
95.01382	0.8
97.06588	13.5
99.08157	4.0
103.97631	1.3
109.02972	0.9
109.06559	0.7
112.98579	0.9
116.92844	1.0
117.15379	0.5
121.02953	1.5
122.03732	1.8
123.00897	4.5
123.04507	0.6
125.02456	0.9
125.09693	1.1
126.03248	1.1
126.90488	2.5
137.02464	0.9
137.09717	1.7
138.03279	0.6
138.87340	0.6
151.11230	1.2
153.01976	1.1
153.05565	2.1
153.09216	2.3
153.12842	100.0
154.13161	3.2
157.50417	0.7
160.84200	10.8
161.84238	0.9
162.83904	29.8
166.99855	3.1
169.12317	1.8
178.99838	1.5
179.10770	22.8
180.11107	1.1
182.02205	6.2
197.02060	1.9
197.04512	2.2
197.08162	2.3
197.11809	18.0
197.80783	14.8
198.11993	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.1182
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	0.6
69.03440	1.6
70.46777	0.8
70.47126	0.5
71.01372	1.6
83.05030	0.5
85.02953	0.3
89.84822	0.2
92.26025	0.3
95.01411	0.3
99.08144	0.3
121.02979	0.4
123.00871	1.2
126.90472	0.5
138.03137	0.5
141.09212	0.8
151.11316	0.7
153.05585	0.5
153.09229	1.6
153.12839	3.7
160.84177	0.9
162.83899	2.1
166.99837	0.8
169.12328	14.8
178.99858	0.9
179.10754	1.5
182.02213	1.5
197.11810	100.0
197.80768	1.3
198.12178	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	199.0835
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03429	1.6
57.04563	0.8
58.02957	1.0
59.01369	1.9
61.98830	4.9
69.03457	1.1
70.02970	1.5
71.01372	2.1
71.05007	2.7
71.60722	0.8
72.99306	1.2
73.02927	1.8
76.77553	0.6
78.95888	2.2
83.01408	0.8
83.02505	11.7
83.05023	1.9
84.04550	3.9
85.03005	3.4
85.04068	100.0
86.02493	0.7
86.03860	0.7
86.04402	1.5
87.05631	46.1
87.92530	0.7
88.06011	0.6
95.05033	1.4
96.96001	2.1
96.96973	1.4
98.02464	1.9
99.05608	1.4
101.02406	0.7
103.92027	1.1
108.04511	0.7
110.02476	3.0
111.00876	0.8
111.01988	1.7
111.04499	1.8
112.04030	2.3
112.07631	0.8
113.02449	5.4
119.04953	0.9
125.02438	1.3
127.03996	2.6
128.03532	1.0
135.04520	0.9
136.04010	1.0
137.06088	2.0
138.05595	2.4
139.04034	1.3
142.06197	7.1
154.05106	2.9
155.03439	0.8
155.05388	1.0
155.10741	5.5
156.06667	2.4
166.02655	0.7
168.04121	1.6
173.03049	2.3
182.04475	3.7
183.66962	0.6
186.41402	0.7
199.00858	1.4
199.06079	2.6
199.08096	3.1
199.09755	1.8
199.13409	4.5
199.16985	3.8
200.03903	1.2
200.05637	13.2
200.09216	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.1181
Annotation	(-)-Hydroxydihydrobovolide
Peak:m/z	Relative Intensity
57.03450	0.2
59.01362	1.0
61.98830	1.2
65.00305	0.2
68.28584	0.2
68.99545	0.4
69.03447	1.5
71.01371	2.1
71.61349	0.2
71.61747	0.3
81.03431	0.4
82.03020	0.2
83.01384	0.2
83.05006	0.9
87.21729	0.2
95.01369	0.3
97.02963	0.2
97.06595	0.3
97.88154	0.2
99.08166	0.2
103.97662	1.0
112.98571	0.8
116.92847	0.3
121.02968	0.3
123.00891	1.4
123.08150	0.4
126.90497	0.7
135.08130	0.3
135.11765	0.2
138.03218	0.4
141.09183	0.8
151.11278	0.6
152.22200	0.2
153.05542	0.6
153.09207	2.1
153.12846	3.7
160.84198	7.7
161.84265	0.7
162.83900	17.4
166.99844	0.8
167.10748	0.3
169.12326	15.9
170.12721	0.5
178.99814	0.5
179.10748	1.9
182.02167	2.5
197.04768	1.0
197.11807	100.0
197.80775	10.2
197.82652	0.3
198.12143	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	193.0505
Annotation	Erbstatin Analog
Peak:m/z	Relative Intensity
59.01374	0.3
69.72128	0.5
69.72541	1.0
71.01373	0.3
71.70142	0.3
86.27401	0.3
93.03429	0.4
96.27348	0.3
98.19905	0.5
106.04220	0.5
111.00871	0.5
121.02972	1.9
133.01920	0.4
133.02950	16.1
134.03746	18.1
135.04073	0.8
137.02440	12.7
137.03496	0.6
137.32010	0.3
138.02745	0.5
139.04008	3.4
149.02411	0.4
150.03200	1.2
161.02437	25.4
162.02798	0.9
178.02716	3.7
193.05042	100.0
194.05373	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	194.9279
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	100.0
60.40059	0.8
61.98826	11.4
65.94054	0.9
69.44511	0.8
70.67573	1.0
70.96088	1.9
71.01375	2.9
73.02943	1.9
78.95906	2.8
80.47292	0.9
81.03452	1.5
85.02930	4.9
89.34806	0.9
96.96007	59.3
96.96970	1.7
97.02909	1.2
101.02464	1.4
103.03986	1.1
103.92026	1.3
107.05003	1.0
108.84541	0.9
109.02995	1.2
110.93424	1.9
117.05585	1.2
119.07253	1.0
121.02968	3.3
122.03715	1.5
123.00912	1.3
123.04520	1.8
124.03961	1.0
134.95215	1.1
135.04518	1.2
135.06625	15.4
136.05331	2.3
137.02467	1.8
150.03212	8.6
151.03970	1.4
151.07648	1.8
152.91760	84.4
152.94417	8.3
153.05489	1.2
153.92218	1.8
158.84662	2.1
160.84212	90.2
165.01930	1.7
165.05617	5.1
167.90472	29.1
170.92773	2.5
180.04274	9.8
194.92807	43.2
194.95499	8.2
195.02982	2.1
195.06609	7.7
195.10275	3.8
195.81087	43.7
195.93245	1.8
205.83650	0.9
212.93820	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	195.0507
Annotation	Gluconic acid
Peak:m/z	Relative Intensity
54.49933	0.8
57.03442	6.2
59.01374	38.4
61.49794	0.7
61.98825	1.3
64.77347	0.8
68.99805	1.1
70.15112	2.5
71.01373	14.1
72.99305	7.5
75.00867	90.4
78.95904	4.4
80.96529	4.7
83.01378	1.9
85.02955	8.0
87.00870	40.5
87.04468	1.1
89.02426	8.4
96.96001	2.3
96.96953	7.3
97.02959	1.2
99.00869	14.5
101.02425	3.9
105.01925	31.0
111.00858	3.8
113.02501	1.0
119.03496	0.9
129.01930	47.2
137.02388	1.0
141.01898	1.2
147.03000	12.8
151.03978	1.0
159.02974	9.1
165.01910	2.8
171.71614	0.9
177.04041	15.6
180.04187	0.9
195.05070	100.0
196.05402	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.1181
Annotation	(-)-Hydroxydihydrobovolide
Peak:m/z	Relative Intensity
59.01362	1.0
61.98811	0.5
69.03444	1.4
69.41489	3.8
71.01378	2.3
75.99924	0.4
83.05032	0.7
84.74833	0.4
92.43963	0.5
97.06510	0.4
108.08635	0.5
108.53074	0.4
109.02854	0.4
121.02988	0.7
123.00858	2.2
126.90512	1.1
141.09216	1.1
151.11235	0.6
153.05557	1.0
153.09224	1.9
153.12857	3.4
155.44221	0.5
162.83907	1.2
166.99847	1.2
169.12331	17.0
179.10728	1.7
182.02196	2.3
197.04643	1.1
197.11806	100.0
197.80708	0.5
198.12148	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	191.0561
Annotation	Unknow
Peak:m/z	Relative Intensity
54.63981	0.1
55.01870	0.1
57.03449	0.9
58.87533	0.1
59.01092	0.2
59.01373	3.1
60.99300	0.2
67.01882	1.5
67.85033	0.1
69.03441	0.6
70.20023	0.4
71.01375	2.2
72.99302	0.3
73.02940	1.1
81.03440	1.1
83.01398	0.2
83.05020	0.9
85.02946	24.7
86.03289	0.5
87.00871	7.0
93.03454	7.4
93.58041	0.1
94.03807	0.1
95.01408	0.3
96.02160	0.2
99.00865	0.3
99.04510	1.2
101.02442	0.2
108.02180	0.3
109.02949	2.0
111.00872	7.1
111.04511	2.0
112.01142	0.1
113.02415	0.2
114.88760	0.1
117.01907	0.2
125.02431	0.3
127.04006	4.1
127.82757	0.1
129.01947	0.6
131.41277	0.1
137.02449	0.4
138.42528	0.1
150.08324	0.1
154.99844	0.1
155.03502	0.3
171.02997	1.3
173.00864	0.3
173.04503	1.7
191.05605	100.0
192.05949	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	191.0559
Annotation	Quinic acid
Peak:m/z	Relative Intensity
57.03448	0.3
58.00583	0.1
59.01375	2.4
59.82800	0.1
60.99307	0.2
67.01888	0.6
69.03455	0.4
71.01375	1.7
71.07017	0.3
72.99265	0.1
73.02946	0.7
81.03468	0.9
83.01385	0.2
83.05023	0.8
85.02944	18.9
86.03294	0.2
87.00868	3.9
93.03454	6.1
94.03759	0.1
95.01392	0.2
96.02157	0.1
97.02914	0.2
99.00851	0.2
99.04520	0.9
101.02431	0.2
108.02143	0.2
109.02927	1.6
111.00871	0.5
111.04514	1.8
113.02444	0.3
115.04049	0.1
127.04005	4.1
129.01993	0.1
137.02446	0.3
143.03511	0.1
145.05128	0.2
152.93771	0.1
153.01886	0.2
155.03511	0.3
171.02971	1.3
172.02852	0.1
173.04518	1.9
184.37315	0.1
189.04123	0.1
191.05592	100.0
192.05945	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	191.056
Annotation	D-(-)-Quinic acid
Peak:m/z	Relative Intensity
50.29625	0.2
57.03441	1.3
57.29910	0.3
59.01373	4.2
60.99295	0.3
63.83387	0.2
67.01884	1.2
68.75289	0.2
69.03464	0.5
71.01393	2.1
71.05811	0.2
71.06120	0.2
73.02944	1.0
81.03452	0.9
83.05023	0.9
85.02946	25.9
86.03257	0.4
87.00867	10.0
93.03449	7.8
97.02924	0.2
99.00903	0.3
99.04508	0.9
108.02156	0.2
109.02938	2.1
111.00874	12.3
111.04502	2.2
127.03998	4.5
129.01924	0.8
133.51341	0.2
137.02423	0.5
155.03436	0.5
171.02972	1.1
173.00874	0.3
173.04521	1.8
191.05600	100.0
192.05933	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	191.0558
Annotation	Quinic acid
Peak:m/z	Relative Intensity
54.73613	0.1
57.03433	0.5
58.00595	0.1
58.46962	0.1
58.92983	0.1
59.01371	2.9
63.58959	0.1
63.66071	0.1
63.89933	0.1
65.15819	0.1
67.01884	0.7
69.03443	0.5
69.28417	0.4
69.28828	0.9
71.01378	1.5
72.93060	0.1
73.02946	0.7
74.03336	0.1
79.95757	1.0
81.03442	0.8
83.05015	0.8
85.02946	19.7
86.03294	0.2
87.00316	0.2
87.00868	4.3
93.03452	6.3
94.03759	0.2
95.01340	0.2
95.95244	0.9
96.96006	0.2
97.02955	0.1
99.00892	0.3
99.04521	0.8
101.02397	0.2
108.02074	0.1
109.02937	1.8
111.00877	1.9
111.04507	2.1
112.41516	0.1
113.02468	0.2
127.04003	3.9
128.93671	0.1
131.03462	0.1
137.02448	0.2
155.03438	0.3
171.02943	1.0
173.04538	1.9
191.02666	3.4
191.05589	100.0
191.36018	0.5
191.69284	0.3
192.05966	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	191.0559
Annotation	Quinic acid
Peak:m/z	Relative Intensity
57.03441	0.4
59.01374	2.0
63.30730	0.2
67.01888	0.4
71.01369	1.5
71.29807	0.4
73.02949	0.5
81.03456	0.3
83.05044	0.5
85.02946	12.8
86.03267	0.3
87.00870	4.6
93.03452	3.2
99.00906	0.3
99.04504	0.6
109.02975	1.0
111.00883	5.6
111.04507	1.3
113.02354	0.2
127.04015	3.2
129.01952	0.4
137.02426	0.2
158.43239	0.2
171.02994	0.6
173.00929	0.2
173.04515	1.5
191.05597	100.0
192.05951	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	187.0764
Annotation	cis-2,3-Dihydro-2,3-dihydroxybiphenyl
Peak:m/z	Relative Intensity
54.40095	0.2
57.03435	0.3
59.01381	2.0
61.98824	1.4
68.99820	0.3
70.89507	0.6
71.01401	1.2
71.01750	0.3
71.04996	0.2
79.95735	0.2
81.03455	0.2
83.05015	0.3
90.97128	0.9
93.17831	0.2
96.95996	0.3
96.99307	0.4
97.06592	0.9
113.06078	0.3
115.04043	0.2
123.08146	0.3
125.02423	0.3
125.06078	0.3
125.09717	6.7
132.98181	0.4
141.86818	2.8
143.05060	0.3
144.04570	0.2
144.05736	0.3
158.03770	0.2
159.04462	0.3
159.08115	0.3
159.87904	0.8
168.88933	0.3
169.08684	0.3
172.05286	21.1
173.05568	0.4
186.03181	0.4
186.95526	0.3
187.04182	3.1
187.07628	100.0
187.09514	4.1
188.07979	3.5
188.09695	0.3
188.10287	0.2
189.76624	0.2
204.04257	5.6
205.04642	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	187.0975
Annotation	Azelaic acid
Peak:m/z	Relative Intensity
57.03445	2.9
59.01377	3.1
69.03451	0.5
69.72049	0.4
69.72450	0.8
71.05012	0.3
79.95741	1.1
80.02675	0.4
81.95305	0.3
83.05020	0.5
95.05033	0.7
95.95238	1.0
96.96020	0.8
97.06582	11.1
97.94817	0.3
98.19932	0.2
99.08125	1.1
102.59970	0.2
123.08160	5.2
125.09713	100.0
126.10046	3.0
127.07657	0.3
143.10779	1.7
145.08699	3.5
169.08685	2.2
186.36287	0.7
186.69420	0.6
187.09737	48.1
188.10043	1.6
200.28143	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.0349
Annotation	Pisonin F
Peak:m/z	Relative Intensity
52.67896	0.2
55.31084	0.3
57.03443	1.1
59.01377	9.8
61.47275	0.2
61.84603	0.2
65.31553	0.2
67.01913	0.4
70.75958	0.7
71.01383	1.1
73.02575	0.2
73.02930	1.2
83.05039	0.3
85.02950	8.4
86.70057	0.3
87.00868	5.7
93.03461	1.7
101.02450	0.3
104.18340	0.2
109.02917	0.5
111.00879	9.8
111.04497	0.4
113.02427	0.4
113.72530	0.2
119.05020	1.4
121.02949	100.0
122.03276	2.4
127.04002	1.1
129.01935	0.5
129.23972	0.2
131.03487	0.9
143.35385	0.2
147.04509	6.1
148.01556	0.3
158.94762	0.2
163.00304	0.2
163.04012	1.0
171.02966	0.4
173.04530	0.4
176.01146	1.9
176.03494	0.2
191.02002	1.3
191.03528	9.4
191.05608	26.0
192.06027	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.0343
Annotation	Caffeic acid
Peak:m/z	Relative Intensity
58.60162	0.1
59.01376	1.9
61.90136	0.1
70.93376	0.4
71.01371	2.2
72.99301	0.2
73.02940	0.4
75.00877	0.3
83.01372	0.2
85.02953	0.8
86.99277	0.1
87.00865	2.9
89.02446	1.0
89.03964	0.8
91.05531	0.7
93.03442	0.5
95.01372	0.2
97.02918	0.2
99.00857	0.5
101.02440	0.4
106.04237	0.6
107.05010	3.0
108.02177	0.3
109.02942	0.2
113.02450	0.2
117.01942	0.5
117.03439	1.4
125.02425	0.5
126.31215	0.1
133.02971	0.2
134.03732	11.2
135.04512	100.0
136.04846	3.4
141.01900	0.2
151.00330	0.2
151.03972	0.2
159.03015	0.2
161.04541	2.2
164.01151	0.4
164.04778	0.2
170.06076	0.2
175.22878	0.2
179.03490	17.0
179.05591	2.9
179.92448	0.4
180.03810	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.0347
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	0.1
57.55598	0.1
59.01377	1.7
63.02408	0.6
65.00330	0.2
69.03461	0.2
69.94932	0.3
69.95347	0.4
71.01374	1.3
73.02934	0.2
75.00875	0.8
79.05531	0.1
81.45258	0.1
83.01398	0.4
85.02959	0.5
87.00867	2.0
89.02437	0.4
89.03961	0.3
91.05543	0.6
93.03462	0.3
93.06236	0.1
95.05013	0.1
97.02905	0.2
98.20639	0.2
99.00891	0.5
101.02467	0.3
101.37276	0.1
106.04257	0.4
107.01333	0.2
107.05025	2.0
107.46392	0.1
108.02189	0.2
109.02968	0.2
112.32717	0.1
113.02417	0.1
117.01892	0.3
117.03463	1.0
125.02439	0.3
133.02989	0.2
134.03735	7.9
135.04515	100.0
136.04857	3.0
137.69629	0.1
139.84473	0.1
141.01897	0.1
143.03470	0.1
149.98076	0.1
151.00346	1.0
161.04538	1.6
164.01160	0.2
169.01335	0.2
178.99950	0.5
179.03484	18.6
179.05576	2.0
180.03859	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.056
Annotation	myo-Inositol
Peak:m/z	Relative Intensity
58.00578	4.9
59.01377	100.0
69.75389	7.0
69.75794	3.2
71.01378	70.4
71.05022	1.8
72.99300	11.1
73.02941	6.8
75.00869	77.3
81.03454	3.7
83.01395	2.2
85.02943	10.8
87.00867	15.3
89.02441	37.9
95.01350	2.2
97.84150	1.5
98.19948	2.2
99.00900	8.0
99.04503	1.9
101.02431	7.2
113.02452	6.1
117.01947	3.0
119.03525	2.2
123.05655	1.5
125.02441	2.9
135.04515	11.1
143.03537	8.0
154.89268	1.4
161.04553	15.0
179.05603	64.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	178.9506
Annotation	Unknow
Peak:m/z	Relative Intensity
52.33841	0.2
54.81034	0.2
59.01378	0.6
69.59411	0.2
70.45351	0.8
71.01376	0.3
72.67627	0.2
77.73415	0.2
79.95701	0.3
83.82519	0.2
87.00892	0.3
89.02388	0.2
96.96050	0.3
97.02953	0.3
98.19991	0.3
99.00865	0.4
115.83327	0.3
119.93729	0.9
124.53084	0.2
134.96080	46.8
135.96127	2.1
136.94000	100.0
137.94075	4.3
151.92708	15.3
152.92770	0.7
154.94998	0.3
161.04485	0.4
178.95045	72.6
179.05576	0.5
179.95132	3.3
180.75853	0.3
196.96051	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.0344
Annotation	Unknow
Peak:m/z	Relative Intensity
51.54111	0.2
53.17765	0.2
59.01379	3.0
69.03475	0.2
71.01373	2.5
72.99297	0.4
73.02955	0.6
78.16488	0.2
81.03467	0.2
83.01374	0.3
85.01677	0.2
85.02953	1.0
87.00873	4.1
89.02444	1.1
89.03974	0.8
91.05550	0.6
93.03448	0.4
93.52694	0.2
95.01376	0.3
97.02950	0.5
99.00872	1.0
101.02436	0.5
106.04272	0.3
107.05027	2.5
108.02134	0.3
109.02972	0.3
113.02433	0.2
117.01957	1.0
117.03433	1.1
123.04490	0.2
125.02424	0.7
134.03735	11.4
135.04518	100.0
136.04842	3.0
141.01920	0.3
150.03180	0.2
151.03972	0.3
161.04549	3.0
164.01147	0.3
173.77470	0.2
179.03499	17.8
179.05608	4.0
179.92422	1.0
180.03842	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	173.0818
Annotation	Dimethoxane
Peak:m/z	Relative Intensity
57.03428	0.8
59.01374	90.1
60.01695	0.7
60.86397	0.3
60.99299	1.1
67.01887	5.5
69.03458	1.3
70.35915	1.4
71.01378	1.7
72.99310	0.5
73.02954	0.6
78.58148	0.3
79.24099	0.4
81.03455	0.5
83.05035	1.0
85.02949	0.9
85.06581	19.6
93.03451	21.4
94.03760	0.5
96.99619	0.3
99.00865	0.5
111.00896	1.1
111.04525	2.5
111.08150	2.6
112.98858	0.4
113.06081	12.1
126.31451	0.4
129.05597	0.3
129.09271	0.4
131.07127	100.0
131.67603	0.3
132.07480	1.7
145.02957	0.4
152.37823	0.3
155.03531	0.5
173.04552	7.1
173.05978	0.8
173.08151	1.7
173.11787	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	176.04
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	2.8
59.01376	7.6
60.99312	0.7
67.01889	6.9
69.03465	1.7
69.54221	4.0
71.01376	3.1
77.03949	0.9
81.03457	2.8
83.05022	2.8
85.02944	7.6
86.03324	0.6
87.00878	7.6
89.03923	1.1
93.03456	25.5
94.03804	1.7
95.01395	1.1
95.05036	2.4
97.02959	0.8
99.04528	1.0
105.03448	6.7
107.05034	1.1
108.02171	4.3
109.02951	7.3
111.00874	0.7
111.04508	6.5
113.02494	0.7
121.02962	0.7
127.04016	1.7
129.01956	5.6
133.02953	25.0
134.03734	6.9
135.04520	100.0
136.04843	7.0
137.02449	3.9
148.01685	0.9
149.02431	1.4
153.25616	0.5
155.03499	2.4
160.84949	0.6
161.02406	3.1
162.03221	5.3
169.67798	0.6
173.04497	1.8
176.01270	0.6
176.04034	17.4
176.54161	1.6
177.01927	13.8
177.05544	1.4
178.02686	2.3
179.03490	84.1
180.03851	6.6
182.18050	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	173.0454
Annotation	2-Methyl-3-oxoadipate
Peak:m/z	Relative Intensity
53.00288	2.7
55.01873	6.3
57.03439	10.4
58.02974	6.2
58.31854	1.2
59.01377	17.1
60.99308	2.2
66.64713	1.1
67.01884	31.7
67.05518	4.9
68.99804	3.2
69.03439	5.6
69.60851	3.6
69.61260	3.9
71.01375	89.8
72.99304	7.3
73.02942	17.9
80.99830	1.3
81.03462	4.2
83.01379	10.5
83.05020	14.7
84.99327	1.7
85.02941	21.9
85.06582	34.0
87.00873	41.9
89.07478	1.2
89.31953	1.4
89.71299	1.3
93.03452	100.0
94.03814	1.4
96.96948	1.5
96.99306	4.0
98.20586	3.0
99.00878	33.3
99.04515	9.4
101.06028	1.3
109.02962	3.2
111.00872	94.9
111.04508	77.6
112.98807	38.8
113.02441	6.7
115.00349	4.6
124.98796	21.1
127.00367	1.3
127.03996	2.3
128.06201	1.3
128.07135	3.0
129.01901	5.0
129.05571	40.1
129.10406	1.9
131.08253	17.6
137.02437	7.0
140.98291	2.9
142.99847	60.4
145.20316	1.4
154.99864	3.1
155.03481	16.4
155.04597	2.4
173.00906	13.1
173.04524	91.2
173.09355	10.1
174.04915	1.3
174.07664	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	173.0091
Annotation	L-dehydro-ascorbate
Peak:m/z	Relative Intensity
53.00288	0.7
55.01870	2.3
57.03440	2.6
58.02965	1.3
59.01377	5.1
60.99298	1.1
67.01881	6.3
68.99815	1.6
69.03451	0.9
71.01377	37.2
71.60555	0.8
72.01707	0.6
72.06738	0.6
72.99293	3.2
73.02940	3.8
73.39977	0.6
80.99817	0.7
83.01379	4.3
83.05008	0.8
85.02937	3.9
85.06608	1.4
86.06056	0.6
87.00871	2.7
88.27811	0.6
93.03451	19.2
96.99303	1.4
99.00874	15.5
100.07722	0.8
101.02460	1.2
111.00869	8.0
111.04529	4.2
112.98801	19.9
112.99948	1.1
113.07205	0.7
114.05582	1.3
115.00357	2.2
124.98804	7.9
128.07176	1.2
129.01961	0.9
131.08255	100.0
132.06674	0.6
132.08643	1.1
137.02448	0.6
142.99847	20.9
152.36209	0.6
154.99841	0.8
155.03494	0.7
156.07750	3.6
173.00888	4.6
173.04523	9.1
173.08096	0.9
173.10497	5.8
174.07744	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	173.009
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00297	2.7
53.81886	1.2
55.01865	4.8
55.94837	1.1
57.03445	8.8
58.02963	6.7
59.01377	13.1
60.99284	2.5
64.83355	1.2
67.01884	26.2
67.05523	3.7
68.99808	1.8
69.03465	6.9
69.50738	8.2
71.01379	84.4
71.05013	1.3
72.99298	7.0
73.02946	15.5
81.03452	4.5
83.01396	8.6
83.05019	14.0
85.02946	24.1
85.06588	31.5
85.95130	1.2
86.06107	1.5
87.00870	31.1
93.03455	100.0
94.03777	2.0
96.96984	1.6
96.99301	5.2
98.20609	1.5
99.00873	31.4
99.04522	6.0
100.07698	2.1
101.02425	2.3
101.08039	1.4
108.15514	1.2
109.02938	3.7
111.00878	79.7
111.04515	77.5
111.05311	2.8
111.08127	1.5
112.01213	1.9
112.98810	30.7
113.02458	6.6
115.00356	3.3
124.98798	18.7
125.50383	1.1
127.03984	1.9
128.07187	3.4
129.01924	4.7
129.05579	32.0
131.08257	56.3
133.85953	1.3
137.02428	3.8
140.98323	2.6
142.99852	57.2
143.03529	1.3
149.09846	1.4
154.99857	3.2
155.03491	16.6
173.00967	11.9
173.04533	94.9
173.09277	11.5
173.10458	2.0
174.07640	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	169.087
Annotation	(E)-4-Oxo-2-nonenoic acid
Peak:m/z	Relative Intensity
52.03481	0.5
52.42789	0.5
55.01880	5.3
56.16732	0.5
57.03445	0.7
59.01371	0.6
59.27710	0.6
69.03462	5.8
69.32848	1.5
69.33265	3.6
71.05019	32.2
80.02684	1.4
81.03449	1.6
83.05032	7.0
95.05016	1.2
97.02944	1.2
97.06583	2.1
107.05037	1.0
123.08163	9.3
125.02442	9.7
125.09719	100.0
126.02834	0.5
126.10062	3.4
141.09204	1.5
151.04025	0.6
168.83615	1.9
168.98958	2.5
169.01416	3.9
169.05144	0.7
169.08679	14.4
169.10098	0.9
169.12444	0.5
170.08954	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	171.1027
Annotation	(-)-Blastmycinolactol
Peak:m/z	Relative Intensity
58.00135	0.4
60.79282	0.4
71.07030	0.5
71.07374	0.8
99.08092	0.5
125.09699	2.6
127.07642	0.6
127.11284	6.0
153.09201	1.4
171.10255	100.0
172.10579	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	168.1392
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02972	100.0
59.03304	0.6
61.98833	1.5
68.99816	1.1
69.54245	0.3
70.02969	0.7
71.62131	0.3
82.95400	2.4
87.00858	0.4
97.02964	0.5
108.04543	0.6
124.04871	0.5
125.02436	3.9
125.09722	0.3
132.86761	0.6
151.11256	0.5
153.01471	0.9
168.03949	0.5
168.13908	10.3
168.83600	0.7
168.98979	1.4
169.01370	1.3
169.05168	0.3
169.14209	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	166.9985
Annotation	2-Oxo-3-(5-oxofuran-2-ylidene)propanoate
Peak:m/z	Relative Intensity
51.02366	0.9
52.51511	0.3
55.22491	0.3
55.50855	0.3
56.85938	0.3
60.63279	0.3
61.45554	0.3
64.00997	0.3
65.00318	0.8
67.01884	1.5
68.99819	2.5
69.03452	0.9
69.53762	1.6
69.54178	0.8
74.55094	0.3
74.99068	0.4
76.20438	0.3
79.01908	0.5
80.96493	0.4
81.03442	1.6
83.01400	0.6
83.05040	0.4
89.06284	0.3
91.01892	1.2
93.03470	0.7
95.01382	100.0
95.05030	1.7
96.01714	1.9
97.02950	0.8
98.19877	0.5
99.04459	0.7
108.01445	0.7
108.02170	11.5
109.03013	1.6
121.02947	1.9
121.06615	0.5
123.00881	69.9
123.04511	9.7
123.08133	1.3
124.01752	3.1
125.02435	1.5
135.04436	0.4
137.02448	1.9
139.00357	0.9
139.04019	1.0
139.07602	0.5
149.00996	0.4
149.02448	1.2
149.99586	1.3
152.01146	25.4
152.04782	1.1
152.42465	0.4
153.00677	0.6
153.01892	1.4
166.99849	16.1
167.03482	13.5
167.07140	2.3
168.00644	1.0
184.47948	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.0349
Annotation	Orsellinic acid
Peak:m/z	Relative Intensity
69.94655	0.8
69.95053	0.9
78.33890	0.3
78.64036	0.4
79.04855	0.5
79.05531	21.8
81.03452	21.9
82.03765	0.4
91.01900	0.6
95.01382	1.4
95.05037	1.4
96.96022	1.2
97.02985	0.6
98.19952	0.5
108.02164	6.2
109.02962	0.4
111.00919	0.4
121.02938	1.0
123.00893	1.5
123.04519	100.0
124.01666	0.5
124.04818	3.0
125.02429	0.6
137.02415	1.6
139.03981	0.6
149.02463	0.7
149.06099	0.4
152.01143	15.1
167.03482	56.6
167.07164	1.6
168.03975	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	168.0665
Annotation	6-HYDROXYDOPAMINE
Peak:m/z	Relative Intensity
53.94287	0.9
56.37415	0.8
58.58295	0.8
65.70785	0.8
66.03487	1.5
68.01399	1.1
69.03452	22.6
69.76286	1.5
69.76701	3.0
71.01363	1.8
78.95876	1.1
83.05025	1.4
89.59292	0.8
92.05067	1.6
94.02934	1.4
94.06571	1.0
96.04546	100.0
106.06617	3.7
108.04522	1.8
122.06139	5.1
124.04070	1.2
124.07671	66.9
125.02437	3.1
125.06119	1.0
125.08035	1.5
151.00334	1.2
153.00537	1.6
153.01601	1.5
168.02901	1.4
168.06645	32.9
169.01389	2.1
169.07217	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	165.0403
Annotation	D-Arabinonate
Peak:m/z	Relative Intensity
55.01873	1.4
55.66335	0.7
57.03453	0.8
57.89886	0.6
59.01371	8.7
61.98819	1.4
68.02978	0.7
69.71075	1.4
69.71490	2.5
71.01384	7.6
72.99307	7.0
73.02954	3.5
75.00869	51.8
85.02939	0.8
87.00871	100.0
88.01190	0.8
89.02426	3.6
93.03441	0.8
99.00864	13.1
101.02447	4.3
103.00419	0.9
105.01926	81.7
106.76965	0.7
117.01920	3.0
129.01923	6.3
135.02974	3.0
144.02795	0.7
147.02979	10.8
165.04028	80.0
166.04385	2.4
171.86281	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0404
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03429	0.7
59.01376	7.6
63.67904	0.3
65.27108	0.3
68.11394	0.3
68.67257	0.4
68.99815	0.4
70.25143	1.2
71.01373	5.8
72.99299	5.1
73.02947	4.2
75.00868	19.5
85.02953	0.8
87.00871	100.0
88.01198	1.2
89.02444	2.7
99.00877	12.5
101.02443	4.3
105.01929	76.1
106.02264	1.3
115.00366	0.4
117.01950	3.2
119.03497	1.1
119.17538	0.4
129.01917	1.7
135.02998	2.3
147.02992	9.4
161.40056	0.4
165.04030	64.4
166.04335	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	163.1122
Annotation	4-Isopentylphenol
Peak:m/z	Relative Intensity
50.09391	0.8
57.03428	1.6
57.32700	0.8
59.01375	9.8
61.98804	1.3
71.01376	4.7
73.02954	1.3
76.52907	0.8
80.02102	1.0
85.02946	9.5
89.02431	2.0
91.01928	1.0
92.54267	0.9
93.03497	1.0
101.02442	13.1
106.24863	0.9
109.19470	1.0
113.02448	1.0
118.99233	5.0
119.05019	30.3
120.04545	1.2
120.05335	2.0
131.03526	1.8
135.00861	1.3
147.08130	1.7
163.00392	6.3
163.03970	4.1
163.06104	17.5
163.11270	100.0
164.11554	5.1
164.28142	0.8
184.40352	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	164.0716
Annotation	L-Phenylalanine
Peak:m/z	Relative Intensity
71.06041	1.3
72.00903	39.2
73.46642	0.6
74.25381	0.5
75.00854	0.9
85.58144	0.5
87.00887	1.3
91.05518	3.7
93.03394	0.6
103.05533	6.1
105.01919	1.3
116.30672	0.5
119.05028	2.7
120.05354	0.9
121.02962	2.8
146.06192	0.5
147.04510	100.0
148.04860	2.8
154.52843	0.6
164.07153	55.6
165.04091	0.9
165.07487	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	165.0192
Annotation	Terephthalic acid
Peak:m/z	Relative Intensity
59.01357	0.5
63.87519	0.3
69.43842	2.9
75.00879	0.9
75.22012	0.4
77.03968	0.9
87.00879	2.7
93.03422	1.8
98.19872	0.7
105.01933	2.5
108.02145	0.6
114.22383	0.4
119.04995	0.4
121.02950	100.0
122.03291	2.5
123.04475	0.4
137.02438	0.5
139.49986	0.4
150.03226	0.7
164.89444	0.4
165.00526	0.5
165.01915	9.1
165.04031	2.2
165.05467	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0403
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	1.4
57.03437	1.1
57.06646	0.7
59.01374	7.9
59.30447	0.8
61.73044	0.7
61.98830	1.4
67.10961	0.8
71.01370	6.1
72.99298	6.3
73.02930	3.1
75.00868	48.0
84.17139	0.8
85.02936	1.0
87.00869	100.0
88.01218	0.8
89.02441	3.8
92.26648	0.7
99.00868	14.8
101.02425	5.7
105.01928	77.9
117.01951	4.0
129.01950	6.1
135.02995	2.0
147.02977	11.2
165.04030	79.6
166.04446	2.3
174.79201	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.0244
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	0.3
59.01379	3.7
69.03457	0.3
69.53250	1.0
69.53671	0.7
71.01368	2.2
72.99314	0.4
73.02942	2.7
75.00903	0.3
77.03985	0.9
81.03445	0.4
83.01384	0.8
84.92834	0.2
85.02945	4.1
87.00889	0.3
89.02440	0.8
89.03957	0.8
95.05004	0.3
98.19878	0.4
101.02454	0.5
104.02686	0.6
105.03447	2.0
105.92980	0.2
113.02470	0.4
115.01881	1.3
131.03474	2.0
132.01360	0.2
132.02165	10.1
133.02948	100.0
134.03294	3.0
160.01639	0.4
161.02428	75.0
161.03505	3.8
162.02771	2.4
178.90657	0.2
182.23604	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.0818
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	2.1
59.01381	12.9
59.98521	1.0
63.43451	0.6
68.85073	0.7
69.03454	1.7
69.29163	6.1
70.45109	0.8
71.01384	17.7
71.05015	24.5
72.72958	0.8
72.99305	1.2
73.02946	9.9
81.03452	3.2
83.01378	4.3
85.02946	15.5
87.00876	1.3
87.04510	14.2
88.72125	0.6
89.02438	3.6
95.01381	0.8
97.02950	1.8
99.04513	75.1
100.04837	0.8
101.02435	1.9
101.06078	1.0
113.02448	2.4
113.06099	1.6
115.04006	47.2
115.07655	9.6
116.04343	1.1
117.05575	33.9
118.05927	0.7
123.09546	0.7
131.03503	8.2
133.02968	1.6
159.07758	0.7
161.02390	2.2
161.04587	8.4
161.08182	100.0
162.08478	3.3
181.63147	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.0818
Annotation	D-Cymarose
Peak:m/z	Relative Intensity
55.01869	1.2
57.03434	4.2
58.00590	2.0
59.01377	25.4
69.03447	1.3
70.47602	0.9
71.01379	28.1
71.05013	24.4
72.99312	3.0
73.02944	20.5
75.00850	1.0
76.60196	1.0
79.82938	0.9
81.03454	3.7
83.01379	7.0
84.02165	1.2
85.02946	28.0
87.00863	1.8
87.04513	16.8
89.02447	6.6
95.01408	0.9
97.02931	2.2
99.04516	73.7
100.04852	1.0
101.02435	5.0
113.02450	3.6
113.06107	1.0
115.04005	48.6
115.07642	8.1
117.05576	32.3
125.02465	1.1
131.03502	14.8
132.02200	1.0
133.02954	11.0
161.02467	9.8
161.04532	12.2
161.08183	100.0
162.08536	3.1
184.16011	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.0244
Annotation	Unknow
Peak:m/z	Relative Intensity
52.84937	0.2
57.03450	0.3
59.01375	2.4
60.45702	0.2
69.33231	1.2
71.01377	1.8
72.99312	0.3
73.02953	1.4
77.03958	0.9
80.15085	0.2
81.03455	0.5
83.01393	0.7
84.31991	0.2
85.02941	2.7
89.02439	0.6
89.03968	0.9
89.74175	0.2
95.05015	0.3
95.47501	0.2
95.60705	0.1
97.02924	0.3
98.20695	0.4
98.43501	0.2
101.02430	0.4
104.02677	0.7
105.03449	2.4
113.02463	0.4
115.01887	1.1
117.03489	0.2
131.03485	1.7
132.02164	9.6
133.02948	100.0
134.03294	3.2
160.01651	0.4
161.02431	73.1
162.02774	2.5
163.46214	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.024
Annotation	5-Hydroxycoumarin
Peak:m/z	Relative Intensity
53.93301	0.3
55.01871	0.8
57.03440	3.5
58.00588	0.8
59.01377	17.5
69.03454	1.1
69.54210	2.5
71.01380	13.1
71.05025	1.8
72.01690	0.4
72.99302	2.6
73.02943	14.9
75.00872	1.2
77.03960	1.2
81.03447	3.0
83.01379	4.9
84.02169	0.6
85.02949	21.4
87.00886	1.9
87.04499	1.6
89.02450	4.7
89.03954	0.9
95.01387	0.5
97.02958	1.5
99.00868	0.6
99.04519	6.7
101.02428	3.5
103.04072	0.4
104.02673	0.8
105.03461	2.3
113.02424	2.8
115.01897	1.2
115.04002	4.5
115.07634	0.9
117.03437	0.4
117.05579	3.6
120.40151	0.4
123.04531	0.5
125.02419	0.7
129.01958	0.4
131.03490	12.1
132.02177	9.4
132.03151	0.6
133.02950	100.0
133.75496	0.3
134.03302	3.6
143.03467	0.4
160.01674	0.4
161.02435	75.7
161.04417	10.4
161.08179	8.8
162.02831	3.3
167.55661	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	152.0353
Annotation	3-Aminosalicylic acid
Peak:m/z	Relative Intensity
57.81576	0.2
61.84291	0.2
66.03475	2.0
71.00298	0.2
71.62287	0.4
80.05062	0.5
80.96497	0.3
81.03459	0.4
83.01370	0.2
85.02953	0.2
86.09077	0.2
108.02174	1.2
108.04572	1.1
109.02962	5.3
110.00089	0.7
121.02951	0.9
122.03739	35.3
123.04574	6.1
124.04868	0.3
125.02421	0.4
137.01994	0.7
137.99590	0.8
151.00313	0.3
152.03528	100.0
153.01982	2.6
153.03894	3.7
153.05563	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	153.0192
Annotation	2,3-Dihydroxybenzoic acid
Peak:m/z	Relative Intensity
56.28502	0.5
65.03958	15.4
66.91071	0.5
67.01878	5.7
70.39457	0.5
71.06726	0.6
76.60715	0.4
76.78252	0.4
91.01878	4.5
108.02196	0.6
109.02942	100.0
110.03273	2.7
111.42176	0.5
121.32497	0.5
123.04512	6.7
124.04890	0.6
125.02448	1.0
135.00873	28.5
136.01215	0.6
137.99562	1.1
153.01924	74.0
153.05537	1.4
154.02264	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	151.04
Annotation	4-Hydroxy-3-methylbenzoic acid
Peak:m/z	Relative Intensity
51.05598	0.2
66.03506	0.2
67.39533	0.2
70.92146	0.2
71.01371	0.3
71.38333	0.3
72.50149	0.2
78.76261	0.2
91.86488	0.2
92.02654	0.2
95.01378	0.2
107.05021	100.0
108.02206	0.3
108.05341	3.4
121.02960	0.3
123.04498	0.6
127.73924	0.2
130.26996	0.2
136.01625	0.9
151.03993	20.7
152.04358	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	152.0108
Annotation	2,4-dihydroxybenzoate
Peak:m/z	Relative Intensity
52.62537	0.3
57.78283	0.3
61.42096	0.3
66.03482	3.2
69.03443	1.2
69.69655	2.2
70.03790	0.9
74.02120	0.4
79.01889	0.4
81.03438	1.6
85.02953	1.0
88.43958	0.4
95.01376	1.6
96.99359	0.4
98.03294	0.8
100.88232	0.4
108.02165	100.0
109.02972	26.6
110.00072	0.6
113.02455	0.5
122.47603	0.3
123.00859	1.5
123.04507	3.0
125.02428	1.0
137.02000	0.9
137.37990	0.3
137.99571	1.2
152.01141	30.2
152.04477	0.7
153.01938	12.2
153.05583	0.8
166.61781	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.0455
Annotation	D-Ribose
Peak:m/z	Relative Intensity
55.01870	1.5
59.01372	15.3
61.98820	3.1
63.99240	3.2
69.03430	1.7
69.64583	9.2
69.64880	3.1
71.01375	32.1
72.99297	7.9
73.02940	28.5
75.00867	46.9
77.05782	1.7
83.09280	1.4
85.02927	1.7
85.33379	1.3
87.00874	12.0
89.02438	100.0
90.02744	2.3
101.02413	1.8
103.04005	9.4
114.58008	1.3
117.00806	3.4
119.64797	1.2
131.03491	12.9
131.16313	1.4
149.04543	70.1
150.04810	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	151.04
Annotation	Methyl 4-hydroxybenzoate
Peak:m/z	Relative Intensity
57.01580	0.5
59.01368	1.7
60.84109	0.5
61.62284	0.7
65.00323	1.4
66.03474	2.8
66.28065	0.6
67.01868	0.7
68.22828	0.6
69.19771	0.6
70.93092	1.3
71.01382	3.0
73.02964	0.7
75.00867	2.4
75.02396	2.0
78.06853	0.6
80.05036	0.7
88.95647	0.6
89.02434	2.4
91.01887	46.0
92.02719	0.9
93.03454	19.3
95.01382	2.0
95.72349	0.6
99.85045	0.6
101.02439	2.5
107.05021	10.2
108.02169	5.0
108.04575	2.4
108.05292	0.6
108.91048	0.6
109.02924	0.9
110.22264	0.6
119.01384	15.4
121.02953	33.1
122.03796	0.8
123.04510	9.1
124.04945	0.6
133.02936	2.0
136.01653	30.0
149.02391	1.2
151.03998	100.0
152.03300	0.8
152.04462	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	149.0455
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	1.5
59.01372	15.3
61.98820	3.1
63.99240	3.2
69.03430	1.7
69.64583	9.2
69.64880	3.1
71.01375	32.1
72.99297	7.9
73.02940	28.5
75.00867	46.9
77.05782	1.7
83.09280	1.4
85.02927	1.7
85.33379	1.3
87.00874	12.0
89.02438	100.0
90.02744	2.3
101.02413	1.8
103.04005	9.4
114.58008	1.3
117.00806	3.4
119.64797	1.2
131.03491	12.9
131.16313	1.4
149.04543	70.1
150.04810	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	147.0299
Annotation	2-Dehydro-3-deoxy-D-xylonate
Peak:m/z	Relative Intensity
57.03468	2.7
59.01387	2.3
63.99529	2.2
69.52871	14.3
71.01380	100.0
72.01756	2.2
72.99306	6.5
82.16272	2.2
83.43612	2.5
87.00881	5.8
87.07455	2.1
103.03989	10.6
115.00365	89.5
116.00756	2.2
129.01918	3.5
147.02977	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	147.0298
Annotation	Unknow
Peak:m/z	Relative Intensity
54.01774	0.7
61.98811	1.0
69.54565	4.7
71.01378	83.2
72.01716	1.4
103.04010	10.2
115.00367	100.0
116.00726	2.9
136.71994	0.7
147.02997	4.4
158.48734	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.0452
Annotation	3-Hydroxy-1-indanone
Peak:m/z	Relative Intensity
59.01374	26.3
68.20244	2.9
68.99818	6.0
69.39577	23.0
71.01380	100.0
72.99302	3.8
75.00880	8.2
84.99305	5.9
87.00876	5.4
88.59466	3.1
89.02436	4.0
99.00875	38.0
101.02458	7.1
103.04012	5.9
115.00361	41.6
119.05021	8.8
129.01910	3.7
139.08575	3.1
147.01929	4.9
147.03079	6.0
147.04492	45.2
147.06467	3.0
164.45920	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	144.0302
Annotation	Unknow
Peak:m/z	Relative Intensity
53.53246	1.2
58.02996	1.3
71.01385	1.8
72.00906	100.0
72.04539	5.5
74.02484	1.3
75.65988	1.2
82.02940	3.0
83.05031	2.8
83.53326	1.2
84.04537	1.2
87.00812	1.3
98.02483	7.7
100.04039	4.0
100.07652	2.0
101.02438	1.2
101.06039	2.5
102.05595	4.2
109.79747	1.2
126.05568	1.6
144.03020	11.5
144.04640	7.3
144.06619	6.3
144.96466	69.0
145.05022	1.8
145.06151	2.6
145.22191	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	145.087
Annotation	2-Hydroxyheptanoic acid
Peak:m/z	Relative Intensity
50.83481	0.9
57.79528	0.9
65.95695	0.9
69.62638	4.3
69.63048	1.5
88.04991	0.8
92.74968	0.8
94.80281	0.8
97.06572	2.2
99.08151	100.0
100.08500	3.7
125.83408	0.8
143.07106	1.4
145.08701	51.9
146.02502	1.6
146.09045	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	146.0459
Annotation	Unknow
Peak:m/z	Relative Intensity
51.40423	0.9
54.97367	0.9
56.58118	0.9
63.25605	0.9
70.28361	3.1
70.28712	1.6
74.02474	1.0
85.02924	1.1
102.05604	100.0
103.05954	1.6
128.03534	45.3
146.03435	1.1
146.04584	22.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	146.0459
Annotation	Unknow
Peak:m/z	Relative Intensity
51.40423	0.9
54.97367	0.9
56.58118	0.9
63.25605	0.9
70.28361	3.1
70.28712	1.6
74.02474	1.0
85.02924	1.1
102.05604	100.0
103.05954	1.6
128.03534	45.3
146.03435	1.1
146.04584	22.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	142.9985
Annotation	Unknow
Peak:m/z	Relative Intensity
52.29907	2.4
53.00305	18.1
58.00598	2.3
59.01371	11.1
61.98827	3.4
67.01901	2.5
68.99844	4.1
69.03444	4.6
69.16656	2.2
70.26076	3.5
70.26418	7.4
71.01379	47.8
72.00905	6.9
72.99308	5.0
80.99810	3.8
81.95288	3.0
82.02975	10.7
83.01392	2.6
84.47221	2.4
85.02944	15.4
87.00853	11.9
87.04517	2.7
96.99294	13.7
97.02940	3.2
99.04492	4.8
100.04053	6.7
103.08405	2.7
111.00874	4.8
112.98817	21.8
115.00312	4.5
124.98803	45.1
125.02443	6.7
126.01991	2.3
132.13861	2.6
140.98300	7.6
142.99857	100.0
143.03517	9.1
143.07030	5.7
143.09015	3.1
144.00223	4.0
144.03011	24.8
158.06125	19.7
159.06429	3.3
160.06712	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	138.0197
Annotation	4-Nitrophenol
Peak:m/z	Relative Intensity
69.72104	1.5
94.03804	0.7
94.98151	0.3
95.01372	0.5
103.92489	0.3
107.18126	0.3
108.02172	49.3
109.02487	2.0
111.00835	0.6
129.69322	0.3
138.01965	100.0
139.02330	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	142.0873
Annotation	1-Aminocyclohexanecarboxylic acid
Peak:m/z	Relative Intensity
53.00305	7.5
55.01883	1.7
58.02974	3.1
59.01368	5.2
62.32626	1.4
64.88127	1.5
68.99796	2.3
69.03445	3.7
70.60870	3.7
71.01376	25.6
72.99314	3.3
79.95732	4.3
83.01373	2.6
85.02928	5.7
87.00849	7.1
87.04510	1.8
90.57788	1.6
96.99313	6.1
97.02930	2.2
100.04042	10.3
102.25225	1.6
112.98818	10.9
113.02423	2.5
115.00376	3.8
124.98797	24.7
125.02466	2.1
130.06712	1.4
140.98305	4.7
142.05098	3.7
142.08728	100.0
142.99855	44.7
143.00896	1.7
143.03474	3.0
143.09076	3.1
143.10742	1.7
158.06113	11.1
161.31761	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	142.9985
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00304	14.7
55.79269	2.1
56.37966	2.9
58.02970	5.4
59.01371	10.9
64.92619	3.0
65.28020	2.9
67.01868	4.4
68.99814	5.5
69.75698	12.7
71.01379	43.0
71.05011	2.7
72.00896	22.9
73.02934	2.3
80.99807	6.1
81.03430	2.8
82.02979	6.9
85.02939	8.6
87.00865	9.1
96.99276	13.2
97.02955	5.8
98.20679	2.8
99.04520	11.4
100.04073	3.9
100.07692	7.2
101.02454	2.5
102.05589	13.6
111.00887	10.5
112.64259	2.2
112.98824	23.6
113.02431	3.8
115.00348	4.0
115.03998	4.6
124.98799	47.8
125.02455	4.5
140.98288	7.9
142.99855	100.0
143.03520	9.1
144.03020	23.2
144.06638	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	137.0244
Annotation	Sodium 4-hydroxy-benzoate
Peak:m/z	Relative Intensity
58.01185	0.3
61.64159	0.3
65.03954	0.8
69.48332	1.4
69.48757	1.0
70.78680	0.2
93.03454	100.0
94.03786	4.5
137.02440	21.5
138.02776	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	134.0473
Annotation	Adenine
Peak:m/z	Relative Intensity
51.45797	0.3
59.99537	0.3
61.26353	0.3
65.01440	1.0
68.02515	0.5
70.34776	0.3
71.38055	0.6
75.00865	0.4
80.02534	0.6
85.02950	0.3
92.02542	6.8
98.20523	0.5
107.03637	29.3
108.03974	1.0
116.00745	0.3
134.04726	100.0
135.04387	1.4
135.05106	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	135.0299
Annotation	L-erythronic acid
Peak:m/z	Relative Intensity
59.01375	10.1
71.01378	12.4
71.60165	1.4
72.99308	15.0
73.01794	4.6
74.99728	2.2
75.00869	100.0
76.01216	1.8
79.15513	0.9
87.00867	5.8
89.02441	7.4
91.02863	1.0
97.31199	0.7
107.89069	0.7
115.00378	4.3
116.99989	1.0
117.00783	16.1
117.01909	3.2
135.01859	5.4
135.02968	36.4
135.04518	2.2
136.03287	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.0143
Annotation	Malic acid
Peak:m/z	Relative Intensity
51.04302	0.9
59.01348	0.8
65.67661	0.9
71.01379	61.7
72.99303	14.7
74.05448	0.8
87.00903	2.1
89.02447	7.8
115.00369	100.0
116.00731	3.0
133.01425	28.4
133.05020	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	132.0302
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	1.8
59.21081	0.8
69.19343	0.8
69.71243	5.2
69.71561	1.4
70.02985	1.1
71.01379	58.2
72.00900	2.5
72.14177	0.9
72.99307	11.1
88.04038	100.0
89.02438	5.1
89.04353	1.3
89.97748	1.0
98.19835	1.1
108.24543	0.8
114.01949	5.1
115.00368	98.2
132.03018	28.6
133.01424	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	133.0143
Annotation	Malic acid
Peak:m/z	Relative Intensity
52.30964	0.9
59.01373	2.3
60.70364	1.0
71.01378	60.0
72.01698	1.3
72.99302	17.6
87.00881	1.9
89.02448	7.7
107.03647	1.9
115.00367	100.0
116.00701	2.9
125.35709	0.9
133.01427	27.8
134.04715	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	133.0142
Annotation	Unknow
Peak:m/z	Relative Intensity
56.70689	1.6
57.90473	1.3
66.60266	1.1
69.59241	7.2
69.59653	3.1
71.01376	60.5
72.98996	1.3
72.99311	15.5
73.17879	1.2
87.73956	1.2
89.02471	6.6
98.19874	2.6
115.00367	100.0
116.00690	4.0
133.01421	32.4
139.14883	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	129.0194
Annotation	Acetylpyruvate
Peak:m/z	Relative Intensity
55.01873	12.9
57.03443	43.4
59.01366	4.8
67.01888	34.3
68.99811	6.3
71.01375	100.0
71.60443	5.2
72.99303	5.8
76.39884	4.4
82.99686	4.2
83.01397	5.3
83.05005	6.8
85.02945	60.3
85.06596	4.7
86.03363	4.4
88.04050	26.1
96.99279	5.8
101.02412	9.8
128.90173	8.6
129.01936	34.8
129.03941	3.9
129.05539	10.5
129.07472	6.6
130.05109	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	130.0874
Annotation	Isoleucine
Peak:m/z	Relative Intensity
58.00249	0.8
58.02957	1.4
59.01347	1.0
70.02969	5.8
70.81234	1.5
71.01374	3.0
71.02523	1.1
72.00911	1.9
72.32133	0.8
73.02932	8.6
85.02950	2.3
87.04525	4.1
88.04038	2.1
90.76965	0.8
95.02518	2.7
113.03560	6.1
114.01952	10.1
119.39764	0.7
130.08730	100.0
131.03569	1.3
131.04601	2.0
131.09082	5.1
132.22226	0.8
146.94405	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	131.0714
Annotation	2-Ethyl-2-Hydroxybutyric acid
Peak:m/z	Relative Intensity
52.15640	1.1
55.93938	1.1
57.03432	2.1
59.01368	2.0
62.86659	1.3
62.87003	1.2
68.99794	1.7
69.03451	1.6
69.76211	5.8
71.01385	7.8
73.02943	20.0
83.05004	1.8
85.02956	7.2
85.06586	100.0
86.06930	3.6
87.04498	3.7
88.04055	1.7
129.05630	1.5
131.03532	3.7
131.07140	53.2
131.08138	2.6
132.07462	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	128.0353
Annotation	Unknow
Peak:m/z	Relative Intensity
53.45487	1.2
67.01876	4.5
70.38541	3.2
70.38891	2.3
82.02982	3.9
83.01965	1.2
85.02942	10.6
93.56767	1.3
96.99307	1.6
97.82962	1.5
128.03529	100.0
128.07156	35.6
129.01906	2.6
129.03833	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	128.0718
Annotation	Unknow
Peak:m/z	Relative Intensity
51.49842	0.4
55.01857	0.5
57.03435	2.0
66.41610	0.4
67.01897	4.6
68.99805	0.7
71.01388	0.5
71.35561	0.9
73.02949	0.4
75.26495	0.4
77.62189	0.4
82.02988	1.0
83.01369	0.6
85.02936	2.2
100.27568	0.6
101.02417	0.6
119.59995	0.5
121.50971	0.4
128.03539	32.0
128.07169	100.0
128.90132	0.5
129.01939	2.4
129.03920	0.7
129.07550	2.9
135.69740	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	128.0718
Annotation	CYCLOLEUCINE
Peak:m/z	Relative Intensity
52.18353	0.6
55.01873	1.0
57.03439	2.4
67.01886	7.3
67.23383	0.7
68.99802	1.1
71.01376	1.4
71.60593	0.7
82.02983	1.2
85.02950	2.8
87.72701	0.6
90.42004	0.7
101.02403	0.9
113.51489	0.7
128.02573	1.1
128.03539	23.8
128.07172	100.0
129.01930	2.7
129.07532	3.5
144.16748	0.7
149.99146	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	121.0295
Annotation	4-Hydroxybenzaldehyde
Peak:m/z	Relative Intensity
50.88348	0.2
61.93521	0.2
65.38437	0.3
66.03460	0.3
70.07771	1.2
71.01388	0.5
73.18347	0.3
79.40461	0.3
91.01883	0.7
93.03455	1.4
94.02985	2.7
94.06555	0.3
95.01360	0.5
98.19968	0.4
108.02156	2.1
119.01369	0.3
121.02948	100.0
122.02458	3.2
122.03297	5.5
123.59032	0.3
137.03539	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	127.0764
Annotation	Unknow
Peak:m/z	Relative Intensity
54.89895	2.5
55.01897	4.2
56.51322	2.8
57.02041	2.9
60.39406	2.9
71.01377	9.6
71.05035	5.2
71.62283	3.5
71.62724	4.1
81.03477	5.6
82.45424	2.7
83.01376	4.7
83.05029	13.7
85.02956	24.3
99.00864	6.8
99.04497	5.7
109.02930	3.8
110.90877	3.8
117.11047	3.3
126.90417	100.0
127.00369	24.4
127.03986	25.4
127.07646	45.2
128.03534	29.6
128.06250	6.5
128.07166	65.4
128.08011	2.8
129.24263	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	1195.7712
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01398	0.4
83.05038	0.2
85.02932	0.9
87.00854	1.0
89.02439	2.2
91.04021	0.2
95.01392	0.4
97.02914	0.7
99.00919	0.2
100.20552	0.1
101.02432	3.7
101.03070	0.2
111.00938	0.2
111.04586	0.1
113.02448	1.7
119.03486	0.8
125.02443	1.8
131.03529	0.1
143.03496	0.6
161.04523	0.8
167.03433	0.2
179.03372	0.2
179.05623	0.8
182.12335	0.1
199.06143	0.1
217.07173	0.1
221.06711	0.3
235.08200	2.4
236.08560	0.2
253.09258	0.5
263.07672	0.3
283.26404	12.1
284.26703	0.7
287.07755	0.8
305.08713	1.3
323.09845	0.4
379.12314	0.2
393.31573	0.4
397.13461	40.7
398.13797	1.7
407.33377	0.2
415.14532	10.2
416.14819	0.5
435.32803	0.1
447.32819	0.4
449.34427	0.3
453.33725	2.7
454.34003	0.4
465.33759	0.2
467.35556	0.3
469.36890	1.2
481.33124	0.3
483.34702	1.2
495.34760	17.6
496.35089	1.7
513.35779	100.0
514.36127	10.6
527.33929	0.2
681.40594	12.5
682.40765	1.5
1073.06409	0.2
1195.77490	0.9
1196.78101	0.2
1219.68640	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	117.0193
Annotation	Succinic acid
Peak:m/z	Relative Intensity
69.51423	3.3
69.51847	1.5
73.02942	100.0
73.64722	0.6
74.03293	2.9
80.04365	0.6
94.44304	0.6
99.00867	9.1
116.92858	2.3
117.01931	17.9
125.04838	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	117.0194
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01888	0.8
68.86327	0.5
70.60995	0.6
70.61353	1.4
73.02943	100.0
74.03278	2.0
74.54012	0.6
99.00872	8.3
99.92576	1.4
100.01257	0.7
116.92847	5.3
117.01937	19.1
118.02270	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1187.4169
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01374	0.5
85.02947	3.4
86.00094	0.7
87.00868	4.6
87.04506	1.7
89.01911	0.1
89.02441	1.9
93.03441	0.4
95.01392	0.4
96.95953	0.1
97.02927	0.3
99.00842	0.2
99.04497	0.2
101.02438	5.4
102.02760	0.1
103.03366	0.1
103.04002	1.4
109.02912	0.1
113.02442	3.3
114.02731	0.1
115.04006	2.6
119.03497	1.1
125.02427	0.3
127.04035	0.3
131.03491	4.3
132.03836	0.1
133.02916	0.2
134.03764	0.1
135.03477	0.1
135.04504	2.2
137.02420	0.1
143.03491	5.3
144.03766	0.1
145.05058	0.7
155.03468	0.2
161.02448	0.5
161.04492	0.4
163.06114	2.1
173.04527	1.1
179.03471	1.7
191.05586	2.6
192.05885	0.1
205.07150	4.4
206.07570	0.1
247.08177	0.3
300.02594	0.2
301.03696	0.1
301.18060	2.1
302.18237	0.1
319.19135	1.1
326.47256	0.1
335.07614	0.1
353.08752	2.7
354.09140	0.1
463.23364	0.2
481.24368	1.5
482.24225	0.1
515.11884	3.5
516.12354	0.4
609.14752	0.2
609.29016	0.3
627.30121	100.0
628.30481	12.4
629.30927	0.6
630.30646	0.1
671.28931	0.9
672.29468	0.1
1138.71704	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	115.0036
Annotation	Maleic acid
Peak:m/z	Relative Intensity
53.86200	2.5
54.42606	2.4
55.57045	2.5
59.01365	4.5
69.05994	3.0
71.01376	100.0
71.05016	9.3
74.02478	5.7
80.29953	2.8
86.74895	2.9
115.00357	11.3
115.04005	7.7
115.05944	11.0
116.07157	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	115.0037
Annotation	Maleic acid
Peak:m/z	Relative Intensity
70.34817	10.5
70.35192	5.6
71.01379	100.0
102.28184	2.9
115.00387	15.3
115.05952	8.5
116.07160	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	1151.5632
Annotation	Unknow
Peak:m/z	Relative Intensity
80.02703	0.4
81.03450	1.6
83.01376	4.1
85.02929	0.3
89.02430	0.4
93.03471	2.0
95.01377	1.1
95.05029	1.9
96.96017	0.4
97.02940	4.6
99.04501	0.3
101.02418	0.7
103.76924	0.2
105.03494	0.2
107.05007	0.7
108.02197	1.3
109.02944	14.6
115.05506	0.2
117.03477	0.5
119.05014	0.4
121.02955	3.6
122.03734	0.8
123.00821	0.5
123.04518	10.4
125.02435	12.4
125.09743	0.4
131.04974	0.3
133.02948	0.9
133.06544	0.3
135.04517	2.2
137.02435	14.4
138.03191	0.5
139.04002	2.9
143.05002	0.4
145.02936	1.3
146.03732	1.9
147.04523	0.9
148.01630	0.4
149.02440	4.0
149.06108	0.4
150.03200	0.7
151.02843	0.5
151.03996	5.3
152.84003	0.3
157.06534	0.4
158.03711	0.3
159.04491	3.2
160.05272	1.3
160.33875	0.2
161.02428	2.8
161.06052	6.0
162.03226	1.9
162.06346	0.3
163.00345	1.3
163.03999	1.3
163.11314	0.3
164.01128	3.4
165.01935	3.8
166.02600	0.4
167.03490	2.0
172.05307	0.3
173.06038	0.9
174.03218	0.8
175.03960	2.7
175.07622	2.1
176.01218	0.5
177.01935	1.7
177.05582	1.0
178.02760	0.2
179.03487	6.0
183.04498	0.3
185.06062	1.0
186.06758	0.4
187.03999	5.3
188.04782	4.2
189.05420	0.4
190.02652	0.4
199.07616	0.7
201.05577	1.1
202.06306	1.8
203.03456	0.8
203.07118	13.7
204.07410	0.4
205.05040	9.2
205.12285	0.3
206.05318	0.4
212.04852	0.6
215.07047	0.4
217.05042	0.4
217.08662	0.5
221.08218	2.4
223.13403	1.0
227.07103	2.7
229.05061	0.6
230.05809	0.6
231.02943	1.0
245.08150	18.3
246.08521	0.8
247.06126	1.2
247.13203	0.3
255.23273	3.8
256.23575	0.5
271.06168	1.2
273.11325	0.5
289.07153	51.9
290.07498	2.4
291.12372	0.4
331.11783	0.3
397.13492	0.3
497.18170	0.9
685.98071	0.3
801.28412	0.3
945.50592	0.5
999.51550	6.0
1000.51550	0.5
1107.54492	1.5
1133.55298	4.7
1134.55652	0.9
1151.56299	100.0
1152.56567	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	115.0037
Annotation	Maleic acid
Peak:m/z	Relative Intensity
60.35666	2.3
63.03880	2.3
63.89502	2.6
69.54936	2.2
70.60828	2.3
70.61223	7.7
71.01379	100.0
71.04996	5.5
72.01750	3.0
82.40135	2.4
115.00391	7.6
115.03974	4.3
115.05947	12.2
116.07128	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	1139.3091
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01377	0.5
91.01894	0.2
93.03456	0.5
98.19928	0.1
107.01388	1.3
108.02181	1.0
109.02960	0.3
121.02950	0.6
123.56097	0.1
124.01661	0.2
125.02428	0.3
134.03679	0.1
135.00847	0.5
143.04971	0.1
148.01639	0.7
151.00354	5.7
152.01051	0.1
159.04427	0.2
163.00380	0.5
163.03935	0.2
164.01147	0.4
169.01405	0.4
171.04497	0.2
173.04582	0.2
175.03984	0.3
178.43542	0.1
178.99847	3.9
183.04536	0.3
187.03909	0.3
190.99947	0.2
191.05592	0.7
192.00636	0.3
198.03159	0.2
199.03970	0.7
201.01950	0.3
201.98831	0.1
203.03581	0.1
211.03972	0.4
215.03505	0.5
216.04198	0.4
226.02689	0.9
227.03484	2.0
228.04024	0.2
229.04988	0.2
243.02957	7.9
244.03593	0.6
245.04413	0.2
254.02191	1.5
255.02957	20.9
256.03348	1.1
257.04633	0.2
271.02448	46.4
272.02927	3.2
273.03879	0.3
283.02487	0.2
285.03842	0.2
299.01944	3.1
300.02713	79.5
301.03363	11.7
302.03848	0.4
325.03506	0.4
343.04517	0.3
355.04776	0.1
591.13708	0.4
609.14520	0.2
764.61151	0.1
771.19806	100.0
772.20111	11.8
772.35028	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1135.5687
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95924	0.3
81.03452	2.5
83.01382	6.6
85.02953	0.9
87.00874	0.6
89.02445	2.1
93.03460	1.9
93.03991	0.3
95.01379	1.7
95.05021	1.4
97.02934	3.4
99.00837	0.4
99.04530	1.5
101.02439	3.1
107.05013	1.2
108.02197	0.7
109.02954	4.2
111.04488	0.4
113.02451	1.3
119.03514	0.5
120.02166	0.5
121.02944	4.7
122.03743	1.2
123.00898	0.4
123.04530	1.7
124.01632	1.3
125.02441	37.3
126.02792	0.8
130.04262	0.5
131.05052	0.5
133.02965	0.6
135.04520	3.2
137.02437	25.6
139.04036	1.1
141.01938	0.3
143.03517	0.3
145.02940	0.4
146.03728	13.6
147.04486	1.7
148.01671	0.4
149.02454	1.2
149.06090	0.7
150.03215	0.8
151.03978	1.9
158.03835	0.3
159.04514	5.6
159.05763	0.4
160.05237	1.8
161.02432	1.4
161.04655	0.5
161.06052	1.4
162.03265	0.3
163.00394	0.7
163.03964	0.4
164.01147	9.1
165.01920	19.8
166.02312	0.6
167.03484	6.9
171.04527	0.3
172.05301	3.6
173.02444	0.3
173.06056	2.3
174.03210	6.9
174.06837	2.1
175.03989	1.8
176.04773	1.4
176.06099	0.2
177.01915	4.4
179.03481	5.0
183.04518	0.5
184.05281	0.5
185.06067	1.5
186.06834	1.1
187.03996	2.1
187.07623	0.5
188.04762	3.2
189.05574	1.0
190.02705	0.6
191.03424	0.7
191.05579	0.3
196.05243	0.4
197.06078	1.0
198.06757	0.5
199.04080	0.3
199.07605	0.9
200.04773	2.9
200.08365	0.4
201.05560	3.2
202.06255	0.4
204.04265	3.6
205.43803	0.3
209.06111	1.8
210.06830	1.6
211.03937	1.4
211.07672	0.6
211.13364	0.6
212.02812	0.3
212.04800	5.1
212.08202	0.5
213.05386	0.9
214.06354	0.7
217.04994	0.4
217.12280	0.3
218.05852	0.6
221.06537	1.3
222.06798	0.6
223.07681	0.9
224.04852	1.3
224.08388	0.4
225.05562	4.1
225.09111	0.5
225.12859	0.6
226.06297	2.0
227.07063	0.8
228.04332	0.3
228.08002	0.7
229.12274	0.4
230.05737	0.4
235.07855	0.4
236.04677	0.6
237.05515	1.5
238.06361	0.9
239.07175	0.9
240.07875	0.4
241.12263	0.5
243.06612	0.4
243.13924	0.7
244.07394	0.9
245.11729	0.4
249.05653	0.3
250.06332	0.5
251.07059	2.1
252.07889	2.4
253.05119	0.4
253.08499	0.3
253.12343	0.8
255.13962	2.1
255.23273	13.5
256.23581	0.7
265.08688	1.0
267.06516	0.4
268.07361	1.7
269.08057	0.7
269.11801	2.3
269.14917	0.4
270.06107	0.4
270.08987	2.4
270.12231	0.6
271.13373	20.5
272.13791	1.0
276.07941	0.6
278.05933	0.6
278.09424	0.3
279.06641	0.4
281.11765	0.5
281.15570	0.3
283.13373	2.4
285.14978	1.6
287.05573	0.4
287.12930	1.2
288.06348	0.6
289.14417	4.9
292.07452	0.4
293.08310	0.5
294.05627	0.6
294.08939	4.6
295.13449	1.1
296.10251	0.4
297.15012	2.1
299.12878	5.4
299.15979	0.3
300.13541	0.8
301.14279	1.7
303.16162	0.4
307.13501	0.5
308.10342	0.4
309.14899	1.7
311.12808	0.6
311.16168	0.4
312.10110	0.4
312.13626	0.4
313.14413	5.8
315.16049	1.9
317.13818	1.9
320.06873	1.2
325.14450	4.9
325.17896	0.5
326.14938	0.5
327.15973	0.4
331.15430	0.6
335.12872	0.4
335.16483	2.8
337.14423	7.3
338.15009	0.4
343.15469	2.6
349.18063	0.5
351.15979	1.7
353.17490	2.1
355.15396	2.0
359.16403	0.4
361.14215	0.5
369.17111	0.9
375.15649	0.4
377.17493	3.3
378.18161	0.4
379.15448	2.4
391.15121	0.9
391.19028	1.0
393.16959	2.1
395.18567	4.3
396.19086	0.4
401.17542	1.7
403.15350	0.3
409.20538	0.4
411.17755	0.3
413.19446	0.9
419.18610	10.5
420.18948	0.9
421.16595	0.6
437.19690	5.6
445.16620	1.5
463.17590	2.7
481.18854	0.7
729.30042	0.3
835.33740	1.0
879.32080	1.4
937.51624	0.8
953.51923	0.3
967.52484	3.9
968.52808	0.7
979.52826	3.5
980.53015	0.8
991.52698	8.3
992.52942	1.0
997.53668	3.8
998.53809	0.6
1009.53546	1.0
1033.53198	1.6
1049.57288	1.0
1073.56812	12.5
1074.57581	1.9
1091.55994	2.7
1099.54688	4.7
1100.54626	0.7
1117.55786	100.0
1118.55920	17.7
1135.56860	81.2
1136.56995	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	1135.5687
Annotation	Unknow
Peak:m/z	Relative Intensity
80.96500	0.6
81.03455	2.8
83.01381	7.7
85.02924	1.2
87.00851	1.3
89.02431	1.5
93.03468	1.9
95.01376	1.4
95.04993	1.1
96.96012	0.5
97.02943	3.5
99.04516	0.8
101.02451	3.1
107.05016	0.9
108.02148	0.7
109.02943	5.7
113.02437	1.1
119.03485	0.6
119.04987	0.6
120.02121	0.6
121.02942	4.0
122.03739	1.6
123.00891	0.7
123.04538	1.9
124.01638	1.1
125.02440	45.6
126.02795	1.2
130.04227	0.5
133.02927	0.9
135.04501	3.0
137.02437	27.6
138.02905	0.4
139.03972	1.0
145.02991	0.5
146.03726	12.7
147.04451	1.5
149.02454	2.1
150.03171	1.8
151.03972	1.8
151.92862	0.4
158.03691	0.8
159.04497	4.7
160.05267	2.2
161.02408	1.5
161.06071	1.1
163.00365	0.8
163.03935	0.6
164.01149	7.6
165.01921	20.0
166.02219	0.6
167.03485	6.5
172.05261	2.7
173.06024	2.4
174.03206	7.4
174.06793	2.2
175.03999	2.4
176.04749	1.3
177.01923	3.0
179.03488	4.7
183.04594	0.5
185.06036	1.5
186.06819	1.2
187.03949	1.9
187.07561	0.6
188.04803	3.2
189.05550	1.4
190.06291	0.5
191.03409	0.8
191.05450	0.5
197.06047	1.1
199.03944	0.7
199.07603	1.0
200.04776	3.0
201.03923	0.5
201.05504	2.8
202.06297	1.0
203.03413	0.4
204.04263	3.3
209.05952	1.9
210.06761	1.3
211.03986	1.1
211.07568	0.8
211.13364	1.2
212.04758	5.0
213.05482	0.6
217.05003	0.5
217.12244	0.5
218.05919	0.5
221.06642	0.8
222.06728	0.5
223.07565	0.7
224.04854	1.0
224.08295	0.6
225.05600	3.2
226.06284	1.2
227.07109	0.8
228.07954	0.9
235.07967	0.5
236.04640	0.5
237.05539	1.5
239.07079	0.9
240.07793	0.4
241.12277	0.6
243.06729	0.7
243.13820	1.4
244.07440	1.0
245.11928	0.5
247.05138	0.4
250.06343	0.5
251.07240	2.2
252.07893	2.8
253.05046	0.5
253.12367	1.1
254.05829	0.6
255.13959	1.9
255.23273	13.7
256.23669	0.9
259.05945	0.4
265.08615	0.9
267.06662	0.4
267.13959	0.6
268.07315	2.2
269.07953	0.5
269.11798	2.2
269.15732	0.4
270.08969	2.7
271.13358	22.0
272.13837	0.8
276.07834	0.4
278.05682	0.9
281.11917	0.7
281.15164	0.5
283.13428	1.9
285.14926	2.1
287.05453	1.4
287.12964	1.0
288.06375	1.3
289.14423	5.3
292.07687	0.5
294.09000	3.7
295.13284	1.0
297.14926	2.2
299.12869	5.9
300.13583	0.8
301.14413	1.5
307.13345	0.7
309.14896	1.4
311.12894	0.5
313.14459	4.7
315.15933	1.4
317.13937	2.4
320.06808	1.1
325.14423	5.6
325.17972	0.8
326.14871	0.6
327.15924	0.5
329.14047	0.5
331.15637	0.4
335.12946	0.8
335.16464	2.9
337.14383	6.2
338.14941	0.7
343.15485	4.2
349.18048	0.5
351.15948	2.1
351.69955	0.4
353.17514	1.4
355.15463	2.9
359.16415	0.5
361.14215	0.5
369.17163	0.9
377.17670	3.8
379.15384	1.9
391.19556	0.8
393.17035	2.2
395.18567	4.2
397.16779	0.7
401.17590	1.5
413.19592	1.2
419.18600	10.7
420.18991	1.1
421.16364	0.8
437.19620	5.5
445.16577	1.5
463.17111	2.3
481.18588	1.4
719.68085	0.4
753.30005	0.7
835.34430	0.5
861.32477	0.5
877.82623	0.5
879.32935	1.1
925.53369	0.4
967.52747	1.2
979.52649	2.6
991.52631	8.3
992.52948	1.3
997.53729	6.2
998.53815	1.6
1009.53113	1.9
1033.53918	1.0
1049.55884	0.6
1073.56885	12.1
1074.56519	2.0
1091.56433	2.3
1099.54712	5.3
1100.55164	0.7
1117.55750	100.0
1118.55884	19.0
1135.56836	94.2
1136.56946	17.4
1136.82410	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1115.675
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03461	0.9
83.01392	0.6
83.05019	1.4
85.02933	0.7
87.00849	0.9
87.50870	0.4
89.02441	1.0
93.03458	0.6
95.05040	0.7
96.96001	2.4
97.02967	0.6
97.06585	0.7
97.58432	0.4
99.00871	0.6
101.02419	2.2
109.06590	3.3
111.08155	0.7
113.02419	1.1
116.92848	0.6
119.03493	0.5
123.04527	0.5
125.02387	0.6
125.09713	1.6
127.11293	0.7
135.08160	0.9
139.11252	0.6
148.36411	0.4
149.09740	0.5
151.11298	0.7
153.09190	0.5
154.09995	1.0
161.04500	1.2
161.09608	0.4
163.11278	3.4
165.12836	1.3
167.14413	0.8
169.12415	0.4
171.10251	9.5
177.12787	2.9
178.13513	0.4
179.05594	0.6
181.12312	1.5
185.11798	1.7
189.09221	0.5
191.05583	0.7
191.10756	0.8
191.14417	0.5
195.13853	3.1
196.14560	1.0
197.11758	4.5
198.29279	0.4
199.13356	0.5
201.11287	4.1
207.10252	11.7
209.11800	22.7
210.12169	1.0
211.13351	1.6
225.09180	0.9
225.11279	12.0
227.12924	3.0
235.08170	1.8
243.12279	1.0
245.18971	1.1
249.22160	3.8
253.09250	7.1
263.20108	0.5
273.18597	0.6
275.20172	0.6
281.09717	0.4
286.50616	0.4
289.18069	4.2
291.19641	7.2
293.21198	75.9
294.21609	3.5
307.19156	3.6
309.20685	18.6
310.20877	1.1
311.22244	100.0
312.22614	4.6
313.85794	0.4
330.61169	0.4
395.62939	0.4
399.78085	0.4
443.18958	1.0
446.85889	0.4
461.20239	3.0
545.29309	0.5
753.40784	6.8
753.53162	0.7
754.40698	1.2
771.41827	1.6
968.32629	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1129.5748
Annotation	Unknow
Peak:m/z	Relative Intensity
83.05013	0.3
84.97756	0.2
93.03410	0.2
96.96008	0.5
98.20605	0.3
114.77802	0.2
123.08158	0.9
124.50768	0.2
135.08124	0.3
136.93945	0.2
145.87857	0.2
191.05493	0.3
192.74316	0.2
205.49025	0.2
265.42395	0.2
343.26364	0.4
351.26868	0.2
369.27884	0.2
373.86911	0.2
374.25443	0.2
375.26874	3.8
376.27231	0.7
389.28387	0.3
391.30035	9.2
392.30273	0.4
393.27820	0.5
405.31705	0.4
407.33179	12.7
408.33472	0.9
409.31000	1.4
421.30978	0.5
425.34326	0.4
439.32263	0.5
443.35248	10.0
444.35437	1.0
451.32092	2.0
452.32300	0.2
469.32996	1.4
470.32794	0.2
481.15402	0.3
487.34244	100.0
488.34598	9.2
555.19733	0.3
641.22675	0.5
1067.57068	0.4
1097.53870	0.4
1129.57471	25.2
1130.57642	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	1115.5423
Annotation	Unknow
Peak:m/z	Relative Intensity
79.38399	0.1
79.73532	0.1
79.95779	0.2
81.03461	0.8
83.01391	0.4
83.05029	0.6
85.02943	1.9
86.06270	0.2
87.00872	4.5
93.03454	29.9
94.03802	0.6
95.01382	0.4
96.96024	0.7
97.02943	0.3
97.06563	0.3
99.00876	0.6
99.04483	0.4
101.02470	0.2
101.35224	0.2
105.03429	0.4
106.04269	0.2
107.05024	0.7
108.02166	3.0
109.02963	1.3
111.00871	0.5
111.04516	3.7
112.08870	0.2
113.02501	0.3
115.04037	0.3
117.03416	0.2
121.02953	1.8
122.03740	1.0
123.00924	0.4
123.04541	0.3
124.01661	6.6
125.02444	3.1
126.03232	1.7
127.04023	0.8
129.01961	0.6
132.02165	0.9
133.02956	4.6
134.03738	12.2
135.04518	95.1
136.04781	1.9
137.02441	2.9
139.04019	0.6
143.03491	0.3
145.02928	0.2
146.05820	0.3
149.02428	0.4
149.06087	0.5
150.03217	4.3
151.03996	12.8
152.04324	0.3
153.01921	0.3
154.02673	0.3
155.03531	0.9
159.04436	0.2
160.01649	1.2
161.02458	2.4
161.06081	0.3
162.03201	0.6
163.04024	0.7
167.03481	0.7
172.02025	0.1
173.04533	18.8
174.03201	0.2
174.04866	0.3
175.04047	0.3
177.01921	1.6
177.05545	0.6
178.02705	1.5
179.03487	22.1
180.04210	1.5
181.05042	0.5
187.07549	0.2
189.05576	0.6
191.05592	19.8
192.05937	0.4
194.02222	0.7
203.03540	0.3
205.05016	0.2
213.09285	0.3
215.05496	0.3
231.06877	0.3
231.10251	0.3
245.08308	0.2
257.08182	3.4
257.55685	0.2
258.08563	0.2
275.09219	2.8
289.07037	0.3
290.07925	1.1
306.07428	0.7
307.08206	5.0
308.08975	11.2
309.09296	0.5
321.85269	0.2
323.07697	0.7
327.83777	0.2
351.07269	1.2
352.07953	43.3
353.08313	1.9
365.18158	0.2
402.24112	0.2
446.84106	0.2
449.14484	100.0
450.14801	6.2
463.14514	0.2
611.30084	0.3
796.43958	0.2
1115.43896	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1115.433
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03462	0.4
83.01379	0.3
83.05010	0.3
85.02953	2.2
87.00862	1.7
87.01276	0.2
89.02453	0.6
89.03967	0.7
91.01904	0.7
91.05547	0.6
93.03452	10.0
94.03799	0.2
95.01398	0.2
95.05049	0.2
96.07573	0.2
96.96026	0.7
97.02959	0.2
99.00883	0.6
99.04504	0.3
101.02444	1.3
105.03460	0.5
106.04221	0.4
107.05031	1.8
108.02193	0.4
109.02936	0.9
111.00951	0.2
111.04511	1.5
113.02422	1.0
115.01871	0.2
115.03967	0.2
117.03461	1.3
121.02968	0.5
122.03703	0.2
123.04516	0.4
124.01653	0.4
125.02452	0.6
127.04030	0.5
129.01949	0.3
132.02147	1.5
133.02954	13.9
134.03746	10.4
135.01041	1.2
135.04518	84.1
136.04837	1.9
137.02429	1.2
139.04010	0.3
143.03497	0.3
149.02472	0.2
150.03270	0.4
151.04013	0.8
153.01936	0.8
155.03484	0.3
160.01668	2.0
161.02434	30.8
162.02892	1.4
163.03975	0.3
173.04543	5.7
174.04935	0.2
177.01945	0.7
178.02692	0.5
179.03484	47.2
180.03815	1.7
180.62766	0.2
187.07614	0.2
191.05597	18.5
192.06003	0.5
209.15450	0.3
231.10222	0.8
257.08142	1.2
275.09256	1.9
295.02487	0.3
296.02728	0.3
308.09039	0.3
339.07144	1.0
340.07617	0.4
341.07724	0.2
351.07230	0.5
352.07990	0.8
371.20804	0.4
399.18381	0.8
447.07321	0.5
448.07693	0.4
449.14481	19.7
450.14990	1.7
457.63614	0.2
467.14581	0.2
485.13840	0.2
503.24515	0.2
665.28076	100.0
666.28436	12.0
885.84729	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	107.0503
Annotation	o-Cresol
Peak:m/z	Relative Intensity
57.64328	0.8
65.51114	0.8
69.29707	1.8
69.30027	7.7
98.20648	1.5
107.05027	100.0
108.02177	2.2
108.04549	2.7
108.05375	5.7
109.20155	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	108.0208
Annotation	Unknow
Peak:m/z	Relative Intensity
67.03006	9.8
68.85368	4.8
71.37935	9.6
76.33518	3.6
83.97306	4.3
108.02169	100.0
108.04532	11.2
109.02949	73.9
115.27639	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	1061.2769
Annotation	Unknow
Peak:m/z	Relative Intensity
75.19742	0.1
76.22460	0.1
81.03432	0.2
85.02944	6.1
87.00872	1.4
92.01908	0.1
93.02861	0.2
93.03453	2.9
93.47050	0.1
99.04503	0.3
109.02946	0.7
111.04536	1.1
115.98447	0.2
117.93055	0.1
127.03985	1.6
133.02969	0.7
133.85197	0.1
135.04530	1.5
137.02388	0.2
155.03520	0.3
161.02435	1.7
171.02983	0.3
173.04521	2.9
179.03453	1.6
191.05594	100.0
192.05954	1.7
351.07178	0.2
353.08743	35.3
354.09033	1.3
527.94458	0.2
547.53693	0.2
707.18469	1.0
708.18475	0.2
883.89490	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1049.6781
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95898	15.1
87.70859	0.1
96.96944	0.2
106.20206	0.1
122.98537	0.4
152.99580	2.7
168.04300	2.5
191.05710	0.1
224.06900	7.8
237.22031	0.2
242.07948	1.9
250.68642	0.1
255.23265	94.4
256.23605	3.4
271.54016	0.1
391.22882	0.2
480.30890	100.0
481.31244	5.6
495.27237	0.7
553.26709	0.2
554.26172	0.3
554.34576	5.8
555.34772	0.4
909.91815	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	1061.2772
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03456	0.7
82.27360	0.2
83.05048	0.6
84.63619	0.3
85.02948	4.9
85.70698	0.2
85.85067	0.3
87.00880	1.1
87.60564	0.2
93.03454	18.5
94.03773	0.3
96.96024	0.3
99.04502	0.4
107.04996	0.5
108.02145	0.3
109.02963	1.4
111.00888	0.7
111.04514	3.7
117.03450	0.4
127.03975	1.5
133.02954	1.1
134.03723	2.9
135.04518	49.8
136.04846	1.2
137.02446	3.8
153.01866	0.3
155.03491	4.2
161.02454	2.4
171.03011	0.3
173.04535	72.9
174.04912	1.6
179.03484	46.9
180.03818	1.0
191.05597	34.4
192.05968	0.7
217.03299	0.3
271.09842	0.3
297.88986	0.3
352.07660	0.3
353.08731	100.0
354.09079	3.3
360.26657	0.3
481.65112	0.3
533.12976	0.3
534.91626	0.3
701.55389	0.3
707.18201	2.2
862.74603	0.3
926.72113	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	103.0401
Annotation	17392-83-5
Peak:m/z	Relative Intensity
58.24848	2.0
59.01378	47.1
66.64489	2.1
67.13513	2.2
69.93243	10.2
71.01377	82.9
72.00914	29.0
72.01722	3.5
73.06748	2.3
74.02472	34.0
98.20599	4.5
103.00378	2.5
103.04007	100.0
104.03532	15.3
104.04274	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	1041.4539
Annotation	Unknow
Peak:m/z	Relative Intensity
73.02951	0.8
77.03972	0.8
77.86427	0.5
79.95737	1.4
81.03458	2.5
83.01398	0.8
83.05020	2.3
85.02948	11.5
87.00867	9.8
93.03453	64.0
94.03779	0.8
95.01442	0.7
95.05023	1.7
96.96001	11.0
99.04518	0.6
101.02457	0.7
105.03467	5.3
108.02158	1.5
109.02956	4.6
111.00887	0.9
111.04511	6.5
113.02441	0.7
117.03493	0.7
121.02960	1.5
122.03726	0.6
123.04514	1.5
124.01677	2.9
124.12875	0.5
125.02445	2.8
126.03210	0.8
127.03995	2.7
129.01935	1.5
132.02173	2.4
133.01901	0.8
133.02950	33.5
134.03761	7.3
135.04517	56.3
136.04854	1.9
137.02420	6.5
139.03975	1.2
149.02429	1.9
150.03218	2.0
151.03987	5.2
152.98828	0.5
155.03505	2.3
159.04517	0.7
160.01662	2.7
161.02438	9.1
163.03960	1.4
165.01909	0.7
171.02985	1.4
173.04538	21.7
177.01910	9.2
178.02693	4.7
179.03487	11.7
181.04924	0.6
187.04001	0.8
191.05597	77.1
192.05919	1.0
192.24403	0.5
209.11766	4.1
211.13390	2.5
215.05574	4.3
283.13513	1.1
289.07138	0.8
301.14355	0.6
307.08255	1.6
308.09036	2.2
309.14981	1.4
325.14294	1.5
325.20142	0.6
327.15994	3.2
351.07224	8.0
352.07809	1.5
353.09442	0.8
353.13742	3.0
371.15128	0.8
397.20374	7.1
501.32156	2.1
502.32370	1.4
773.36426	1.2
791.38483	2.9
817.36353	11.7
818.36847	1.0
835.37427	2.4
849.39014	7.5
850.39636	1.2
867.40289	1.8
991.41376	1.4
1009.42804	34.6
1010.42578	3.3
1041.45386	100.0
1042.45569	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	1027.4022
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01382	14.1
72.99306	1.6
73.02943	5.5
75.00906	0.4
79.10047	0.3
79.95729	0.5
81.03453	0.7
83.01394	1.4
83.05017	0.6
85.02947	7.7
86.00094	0.9
87.00874	7.6
87.04518	1.7
89.01913	0.4
89.02441	5.9
93.03457	4.6
95.01369	1.4
95.05034	0.9
96.95983	1.2
97.02952	1.0
99.00851	0.6
99.04472	0.5
101.02441	9.2
103.04009	2.5
105.03453	3.5
107.05010	0.7
109.02954	1.4
111.00889	1.8
111.04462	0.4
111.77613	0.3
113.02448	7.3
115.04000	3.2
119.03503	2.3
119.04997	1.8
120.57957	0.3
121.02932	0.7
121.06585	2.2
123.04521	24.5
124.04794	0.3
125.02440	1.9
127.03998	0.4
129.01921	0.9
131.03508	4.1
131.05008	0.8
133.02946	2.8
134.03682	0.5
135.04503	2.7
137.02428	1.1
143.03505	6.0
145.05048	1.3
147.04547	1.9
149.02454	0.6
149.06076	10.7
151.04059	0.5
152.41420	0.3
153.01860	0.4
155.03481	0.3
159.04456	0.3
161.02441	1.5
161.04570	0.7
163.06139	2.3
165.01923	0.3
165.05550	0.4
167.07101	0.9
173.04552	3.7
175.03960	1.5
177.01947	1.5
179.03534	1.9
179.05054	0.4
189.01895	0.7
191.03860	0.3
191.05597	5.8
192.05896	0.6
193.05029	2.5
199.03999	0.4
205.05200	0.5
205.07141	4.4
211.06085	1.1
217.01375	0.4
243.03027	0.4
253.07153	1.1
255.06306	0.4
289.07117	0.8
301.03555	0.5
301.18057	3.6
302.18408	0.4
319.19058	3.8
337.03195	0.4
341.06598	0.6
351.07449	0.3
353.08881	2.0
355.10208	1.1
373.11194	0.5
397.07361	0.3
407.08252	0.4
415.17807	0.8
439.10388	0.6
449.14545	0.5
451.10275	1.0
463.23328	0.6
481.24692	1.7
498.36594	0.3
515.11865	1.7
575.11133	0.6
609.29114	4.7
610.29858	0.4
627.30170	27.8
628.30762	2.2
669.31317	0.6
685.26068	0.3
697.30646	4.4
698.31372	0.7
803.34705	3.7
804.36023	0.3
821.36090	0.6
953.40228	1.0
965.40161	4.3
966.40466	0.7
983.41205	100.0
984.41559	15.6
1027.26587	0.4
1028.25842	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1007.6819
Annotation	Unknow
Peak:m/z	Relative Intensity
69.82935	0.3
69.83349	0.3
76.98772	0.1
81.03445	0.1
83.05019	0.2
93.03429	0.1
96.95999	0.3
98.20583	0.2
117.47959	0.1
135.04486	0.2
136.03081	0.1
151.03946	0.1
161.02361	0.2
173.04568	0.1
173.13298	0.1
179.03558	0.2
191.05615	0.5
191.14316	0.2
236.15054	0.1
323.23654	0.2
343.24115	0.1
357.22009	0.1
359.23438	0.1
359.27438	0.2
361.24905	0.2
365.28510	0.2
375.26929	0.8
377.28540	0.9
378.28851	0.2
389.28607	0.3
391.30081	7.1
392.30490	0.6
393.31586	1.8
395.29541	0.1
405.27371	0.2
405.32065	0.1
407.29449	1.1
409.31351	0.2
411.32455	0.4
419.29703	0.2
421.31406	0.2
425.30374	1.1
435.28967	2.4
437.30566	3.1
438.30844	0.2
439.32208	0.3
441.33749	2.2
441.39725	0.2
442.33871	0.2
447.57742	0.1
451.28345	0.1
457.33292	2.2
458.33426	0.2
459.34888	0.1
473.32700	3.7
474.33185	0.3
481.29453	0.3
485.32663	2.1
503.33722	100.0
504.34064	7.4
721.77838	0.1
970.47253	0.1
1007.42255	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1001.4228
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01374	21.2
72.99307	4.1
73.02949	2.0
75.00867	11.5
79.05517	0.4
79.95721	0.3
81.03438	1.0
83.01378	1.3
83.05004	1.1
84.02172	0.5
85.02944	22.6
85.14839	0.3
87.00869	9.0
89.02440	5.4
91.03998	1.2
93.03444	1.5
95.01379	4.6
95.05005	0.7
96.96008	1.6
97.02938	0.4
98.95592	0.4
99.00879	8.5
99.04495	0.6
101.02451	2.1
103.00361	1.6
107.04987	0.7
109.02948	0.5
111.00894	0.7
112.01645	0.6
113.02442	30.9
115.00351	1.3
117.01949	1.9
123.04501	0.5
123.08175	0.8
125.02425	1.0
127.03979	0.4
129.01897	2.0
130.99808	0.4
131.03461	0.9
135.04521	0.9
137.02399	0.5
143.48523	0.3
146.44499	0.3
149.04529	0.7
150.03242	0.4
151.03917	0.4
157.01416	1.0
159.08069	0.3
161.09813	0.4
161.13350	16.9
162.13678	0.5
163.11258	0.8
173.04553	0.7
174.28925	0.3
175.02519	1.7
185.09749	0.6
187.11269	10.0
188.11734	0.4
189.03996	0.4
189.12836	0.9
191.05580	2.1
193.03525	0.3
205.07158	4.1
205.12314	11.1
206.12709	0.5
207.05080	1.5
207.13828	0.8
208.05225	0.3
213.09152	1.0
231.05122	0.7
231.10225	0.8
249.06126	8.9
249.11272	0.4
267.07178	32.1
268.07556	0.9
289.69009	0.3
323.75525	0.3
335.22229	0.6
393.19083	0.7
399.23657	1.0
437.18021	1.1
449.14560	0.6
455.19296	0.5
459.25797	2.0
464.61243	0.4
481.17020	5.0
499.18326	1.0
519.23926	0.5
1001.42267	100.0
1002.42523	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	1001.4228
Annotation	Unknow
Peak:m/z	Relative Intensity
69.51044	1.7
69.51471	0.6
71.01377	24.4
71.04395	0.3
72.98935	0.4
72.99302	4.7
73.02945	2.0
74.99725	0.4
75.00870	12.1
79.05524	0.3
79.95708	0.6
81.03477	0.5
83.01373	1.7
83.05027	0.7
84.02157	0.4
85.02946	23.2
86.03274	0.5
87.00869	8.7
88.82172	0.3
89.01913	0.5
89.02437	5.8
91.04014	0.8
93.03464	1.8
93.07120	0.4
95.01386	5.1
95.05028	0.7
96.96021	2.1
97.02941	0.6
99.00247	0.6
99.00876	9.0
99.04496	0.8
101.02443	2.6
103.00359	2.0
107.05016	0.5
109.02925	0.6
111.00859	0.6
111.04498	0.4
112.01641	1.0
113.02444	29.8
113.06061	0.4
114.02731	0.5
115.00374	1.8
117.01952	1.5
119.03509	0.5
125.02434	0.9
127.03989	0.6
129.01962	2.0
131.03491	1.0
135.04514	1.4
145.10204	0.7
149.04552	0.6
150.03172	0.3
151.00432	0.7
156.96024	0.3
157.01411	1.0
161.02448	0.8
161.09705	0.5
161.13347	16.2
162.13692	0.7
171.08112	0.4
173.04326	0.3
175.02423	1.7
177.01851	0.5
185.09598	0.5
187.11269	9.4
188.11456	0.5
191.05603	2.4
197.05907	0.3
198.29501	0.4
205.07166	3.2
205.08911	0.4
205.12311	10.8
206.12692	0.5
207.05020	1.4
209.11755	0.4
213.09279	0.7
225.14967	0.5
231.05022	1.0
231.10190	0.9
249.06140	8.6
249.11276	0.6
255.06514	1.5
267.07184	29.6
268.07532	1.0
378.53238	0.3
387.20377	0.8
393.19208	0.3
399.13303	0.4
399.18454	7.0
400.18655	0.9
437.18185	0.9
449.14401	0.6
459.12985	1.4
481.17065	3.3
499.18015	0.4
519.24506	0.5
1001.42236	100.0
1002.42529	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	985.5705
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03430	1.7
69.07080	1.0
71.04982	0.5
71.08649	0.7
73.02921	1.8
78.36469	0.2
79.05487	1.3
81.03414	1.1
81.07046	1.3
83.08627	0.5
85.02904	3.3
85.10175	0.7
88.51352	0.2
89.96452	0.2
91.03970	2.0
91.05510	1.1
93.07056	1.0
95.04968	0.3
95.08603	1.3
97.02897	3.1
97.06535	1.3
97.10152	0.3
99.04475	0.5
101.02412	1.0
101.48964	0.2
105.07067	0.5
107.08640	0.5
109.02895	0.6
109.10156	0.4
117.07058	0.4
119.08581	0.5
123.11753	0.3
127.03966	0.9
135.11737	0.3
135.65746	0.2
137.05724	0.3
142.67448	0.3
145.10159	0.3
147.75623	0.3
149.13324	0.3
161.00845	0.2
185.04294	0.6
203.05446	0.4
242.07321	0.3
243.08417	1.4
291.19720	0.7
313.27344	0.5
335.25980	0.6
336.26221	0.5
347.09583	1.9
349.19916	2.5
363.09137	0.4
365.10654	0.6
405.13641	4.8
405.18396	0.3
439.19421	1.4
453.14502	0.3
453.21085	1.0
497.30737	3.7
497.36807	0.3
567.27759	4.4
601.25037	0.6
615.26215	0.8
626.45569	0.8
659.36127	3.8
695.44440	0.4
729.33057	4.4
823.51581	1.6
985.57068	100.0
986.56946	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	980.6159
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03435	12.8
69.07072	32.1
69.46718	6.6
69.47127	2.3
71.05001	12.8
71.08632	19.4
73.02907	3.2
79.05495	36.0
81.03414	19.7
81.07056	45.0
83.05002	7.2
83.08619	15.3
85.02913	13.5
85.06529	3.7
85.10188	16.6
91.03953	4.1
91.05483	28.5
93.07047	35.2
93.07638	2.1
95.04979	10.8
95.08602	33.0
97.02893	14.0
97.06532	59.7
97.10174	7.6
99.04456	2.0
99.08092	3.5
100.83514	1.2
103.07589	1.4
105.07034	19.0
107.04929	8.6
107.08604	17.6
109.02879	4.9
109.06524	14.5
109.10159	17.8
111.04432	1.7
111.08085	6.5
111.11720	1.1
113.06019	2.2
115.05401	1.8
115.07569	16.5
117.07030	12.9
119.08578	13.8
121.06488	6.9
121.10144	8.3
123.08047	5.2
123.11724	4.7
125.09643	2.0
127.03923	6.2
127.07525	1.7
128.06239	2.5
129.05527	1.8
129.07013	8.2
131.04919	1.8
131.08589	16.9
133.06483	2.5
133.10127	16.2
135.08035	9.5
135.11687	4.9
141.06987	1.7
143.08560	4.7
145.05008	2.0
145.06476	3.0
145.10121	9.4
147.08102	5.5
147.11722	5.6
149.09615	4.9
149.13261	7.1
151.11156	3.8
155.08597	1.9
157.10144	6.4
159.08044	3.0
159.11676	9.3
161.09662	6.3
161.13292	1.3
163.06075	2.3
163.07564	1.9
163.11189	3.6
165.09227	1.5
169.10120	2.3
171.11749	4.1
173.04472	6.9
173.09628	3.0
173.13210	2.8
175.11174	4.0
177.12750	5.5
185.09848	1.2
185.13254	2.6
187.11234	1.5
189.12730	1.8
195.11713	2.0
195.13791	3.1
199.14778	4.7
201.07631	1.7
201.12756	1.9
205.12318	1.4
215.14365	1.4
217.15868	14.4
219.13847	1.5
221.15405	2.3
227.12708	1.5
227.18018	3.0
231.13742	1.3
233.15302	6.1
239.23775	5.2
241.10706	2.3
245.19016	5.7
253.14325	4.5
255.15489	1.7
255.17604	3.9
257.24753	1.8
259.11804	1.7
261.18692	1.4
263.20084	1.8
267.15869	1.5
269.17471	23.8
273.18521	35.0
289.18033	1.7
291.19531	20.2
297.16809	1.8
303.15894	1.4
307.19098	9.8
309.20529	1.2
311.25827	1.1
313.27377	100.0
314.27603	1.5
341.27054	1.8
347.22107	18.3
349.86649	1.1
365.23218	20.8
369.30072	3.1
383.24191	4.5
429.20313	1.3
435.23581	1.7
493.38785	4.8
505.38968	2.1
507.40482	47.6
508.40381	1.5
509.27631	1.4
509.37888	1.3
527.28571	1.6
529.42523	2.5
533.41992	2.6
535.39929	2.4
545.42017	6.8
561.41193	1.8
563.42902	1.6
585.45062	14.6
603.46240	37.1
604.46875	1.6
621.47351	19.4
687.47955	1.3
747.49561	2.5
765.51141	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	966.5629
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05499	4.8
68.05048	1.0
69.03436	5.2
69.07082	1.3
70.06596	4.1
71.04994	51.9
71.08633	2.0
71.52227	0.7
71.52592	0.5
73.02911	2.7
79.05500	3.5
80.05029	0.7
81.03416	2.9
81.07046	3.4
82.06623	0.7
83.05018	0.5
83.08624	2.8
84.08152	3.5
85.02902	6.1
85.10184	1.1
86.06075	3.8
88.04010	2.6
91.03964	2.4
91.05498	1.3
93.07051	1.7
95.04970	0.9
95.08616	2.5
96.08128	5.8
97.02901	5.6
97.10167	3.1
98.06034	2.3
99.04465	0.5
101.02408	1.3
105.07027	1.1
106.06571	1.1
107.05059	0.6
107.08574	2.7
109.02911	0.7
109.06573	0.7
109.10184	1.8
111.08122	0.9
112.07595	4.3
117.07054	1.0
122.06029	0.6
124.07616	3.8
125.09613	3.0
127.03962	1.4
129.07127	0.5
131.08597	0.5
135.08110	1.3
135.11755	0.8
140.63348	0.5
141.07930	0.6
142.08667	4.6
149.09560	0.5
153.09132	1.0
158.08138	4.5
163.11198	0.8
170.08217	2.0
177.19183	0.5
184.07358	0.7
189.11270	1.2
227.12753	2.4
229.14297	0.6
248.16568	0.7
252.16113	0.5
313.27344	4.7
528.18256	0.5
624.44965	1.1
642.45978	2.1
696.52386	0.5
804.51416	2.2
966.56323	100.0
967.56451	3.4
984.92676	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	964.6206
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05508	43.1
69.03442	6.7
69.07070	22.5
69.21028	7.1
71.04983	4.4
71.08636	25.8
73.02905	3.3
74.27516	0.8
79.05495	31.5
81.03419	9.9
81.07060	56.6
82.07380	0.7
83.04984	8.7
83.08621	19.1
85.02908	14.0
85.06521	2.7
85.10189	15.4
87.04447	0.8
89.06030	1.7
89.68988	0.7
91.03959	4.1
91.04903	1.1
91.05481	27.9
93.07043	36.6
94.52344	0.8
95.04974	6.9
95.08611	37.3
97.02882	7.8
97.06532	13.1
97.10172	10.2
99.04465	1.6
99.08101	3.4
99.11659	0.8
103.03956	0.9
103.05474	1.6
105.04503	1.1
105.07036	21.7
107.04953	6.0
107.08596	22.1
109.02869	3.5
109.06516	4.0
109.10155	16.1
111.04438	0.8
111.08101	4.2
111.11690	1.2
113.09621	1.3
115.05414	1.0
117.07031	12.5
119.08589	16.2
121.06544	4.1
121.10146	12.0
123.08058	2.8
123.11734	5.8
125.09618	3.1
127.03940	5.5
128.06226	1.6
129.05518	2.3
129.06993	3.0
131.04947	0.8
131.08560	14.4
133.06476	1.4
133.10133	14.7
135.08049	3.8
135.11700	11.7
137.09616	2.2
137.13266	1.4
143.08568	3.5
145.04990	3.3
145.10133	11.9
145.12183	1.3
147.08076	1.3
147.11710	8.3
149.09628	8.4
149.13264	7.4
151.11211	2.2
155.08545	1.2
155.61662	0.9
157.10146	3.8
159.11682	9.5
161.09566	1.1
161.13235	2.2
163.06010	1.1
163.11214	5.4
167.14359	0.9
169.10104	2.4
171.11681	1.9
173.04465	3.0
173.11978	0.9
173.13257	5.1
177.12752	2.7
179.14244	1.4
181.12332	1.1
183.11691	1.6
185.13297	1.8
187.11191	0.9
189.11189	2.0
189.12743	0.9
195.13812	3.7
197.13208	1.4
199.14873	1.4
217.15932	2.6
219.13992	1.3
227.12790	6.6
229.14311	4.5
229.19473	2.5
234.97289	0.8
235.16946	1.3
239.17967	3.1
239.23695	2.3
243.12282	1.0
246.44666	0.8
247.20618	2.6
255.15916	11.3
257.18991	8.4
257.24738	2.3
267.15805	2.0
269.17484	34.1
275.20065	25.8
275.24866	0.9
291.19525	2.4
293.17828	2.0
293.21088	3.9
298.27484	0.9
303.15948	1.0
309.20627	4.6
313.27368	100.0
314.27832	1.6
321.23969	0.9
331.22659	3.4
339.18149	0.9
349.23737	31.8
367.24686	4.3
413.21677	3.5
467.37189	3.2
483.36780	1.0
493.38922	21.4
494.39047	1.3
507.40472	94.2
508.40289	1.6
547.43713	8.3
587.46704	51.2
588.46765	1.4
605.47736	14.2
627.40515	1.6
651.44586	4.0
749.51624	3.1
786.76904	1.0
891.01556	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	954.6154
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05507	63.9
69.03410	2.5
69.07072	13.4
69.14746	11.9
69.17130	1.0
71.04980	1.4
71.08652	1.3
73.02924	3.7
79.05498	40.0
81.03407	1.7
81.07059	67.9
83.04965	1.3
83.08628	9.1
83.26514	1.4
85.02908	15.4
85.06527	2.3
91.03954	12.5
91.05483	26.3
91.66665	1.1
93.07048	48.2
95.04967	3.1
95.08611	55.1
97.02886	11.4
97.06550	2.8
97.10187	3.1
98.20773	1.9
99.04465	1.8
99.08099	1.4
105.07034	24.5
107.08600	25.2
109.10163	25.1
111.08098	1.6
117.07001	9.3
119.08587	18.9
121.10149	24.6
123.08108	1.7
123.11728	6.7
125.09644	1.4
127.03917	4.9
129.06998	2.6
131.08578	13.9
133.10136	14.2
135.11699	17.6
137.13237	3.2
143.08632	2.3
145.04939	5.6
145.10132	14.8
147.11703	12.4
149.13240	8.8
151.14850	1.4
157.10146	2.4
159.11734	10.5
161.13257	8.5
163.05988	8.4
163.14838	4.7
171.11697	4.6
173.13251	8.9
175.14851	4.1
177.16429	1.7
185.13205	2.4
187.14841	4.2
189.16345	2.0
199.14879	3.3
201.16405	1.7
215.17911	1.1
229.19548	1.2
231.04007	1.3
241.19627	6.1
243.21130	5.9
245.22794	1.5
259.20593	7.5
261.22147	18.4
263.23712	1.7
317.24667	3.6
323.25940	1.5
333.24237	8.7
335.25812	100.0
336.26331	1.6
337.27435	12.0
503.36810	1.5
521.43524	3.3
539.44727	2.1
595.47308	19.7
613.48254	30.5
621.10754	1.3
639.83905	1.3
954.57770	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	949.6249
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05515	1.1
69.86267	0.5
71.07370	4.7
71.08638	1.6
71.68007	0.6
71.82813	0.6
81.07039	0.8
85.10154	0.8
86.09705	45.4
89.16486	0.5
95.08585	1.0
98.98473	2.7
104.10744	93.6
105.11063	0.6
109.10221	0.8
109.37167	0.5
125.00005	22.5
128.45998	0.5
132.56166	0.6
144.00452	0.7
163.01508	1.4
163.98085	0.5
166.21381	0.6
169.97780	0.7
183.94951	0.6
184.07338	89.2
313.27350	2.2
419.25653	0.7
478.32834	9.6
496.33969	100.0
497.33920	0.9
515.31097	1.4
949.50458	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	943.518
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05500	4.1
69.07068	1.2
71.04980	0.4
71.08644	0.8
71.53114	0.2
79.05480	2.1
81.07060	3.9
83.08625	1.1
85.02911	0.8
91.05483	2.5
93.07043	2.1
95.04983	0.4
95.08617	3.2
97.02892	0.4
97.06551	0.5
97.10193	0.8
105.07022	0.6
107.08601	1.4
109.10143	2.1
119.04961	1.3
119.08638	0.7
121.10115	1.4
123.11751	0.6
129.79179	0.3
131.08566	0.3
133.10158	1.1
135.11720	0.6
145.10211	0.4
147.04416	5.0
147.05545	0.4
147.11739	0.3
150.48624	0.3
165.05530	0.4
170.13255	0.3
184.07462	0.3
187.03662	1.6
229.14334	0.4
268.71301	0.3
291.19293	8.1
291.22443	0.5
299.14935	2.4
300.15402	1.3
325.24051	0.6
341.30484	2.5
342.31027	1.2
347.21927	4.6
455.23969	4.7
495.40747	0.5
511.26529	2.2
558.84674	0.3
566.41675	1.3
615.42395	3.1
779.47034	4.5
943.51776	100.0
944.51550	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	942.5996
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05505	11.7
69.03394	1.7
69.07066	5.8
70.07668	1.8
71.04974	1.1
71.08632	18.4
73.02879	1.4
76.12264	0.4
79.05074	0.5
79.05491	6.4
81.03416	54.1
81.07055	14.9
83.04969	2.9
83.08620	17.3
85.02531	0.4
85.02895	4.7
85.06546	0.7
85.10185	11.3
89.05994	1.7
90.77148	0.5
91.03956	3.0
91.05479	10.6
93.07031	6.0
93.92431	0.5
95.04966	17.1
95.07986	0.9
95.08601	15.4
97.02885	4.4
97.06506	1.2
97.10169	5.6
99.04429	0.7
99.11715	1.0
103.07578	0.8
105.06424	0.5
105.07030	6.2
107.04938	3.7
107.08562	2.5
109.06486	2.2
109.10152	7.0
111.04419	1.5
111.08088	4.6
111.11676	2.1
112.88699	0.5
115.05434	1.0
117.06947	0.7
119.04907	0.8
119.08583	7.6
121.06492	1.1
121.10149	4.4
123.04378	1.0
123.08061	1.0
123.11671	2.9
127.03886	1.7
129.06996	6.5
131.08582	5.7
133.06447	2.0
133.10139	3.1
135.11633	0.8
137.09550	1.1
137.13193	1.2
137.78918	0.5
142.07718	1.5
145.04922	2.0
145.10091	1.7
147.08009	2.3
147.11681	5.7
149.09656	4.2
151.07611	0.6
153.16373	0.5
155.08537	0.5
157.10130	7.5
157.23911	0.5
163.06007	3.0
163.11160	1.3
165.12701	1.4
165.33574	0.5
175.11176	7.4
191.10573	0.6
191.45547	0.5
193.10440	1.2
193.12230	25.3
205.12216	0.9
211.13255	1.6
223.13260	0.6
223.16212	0.5
235.13286	1.3
249.14905	1.2
259.13351	1.6
267.15909	98.6
268.16129	1.0
273.14792	0.8
285.27850	1.3
301.14304	1.9
309.17126	2.7
319.15259	0.9
333.16861	0.7
341.30499	100.0
342.30685	0.9
533.42017	83.6
534.42371	2.3
551.42969	2.3
575.43030	5.5
593.43958	1.2
599.44092	0.6
600.25940	0.6
617.43927	1.3
629.43579	2.3
641.44263	1.4
659.45087	3.2
677.46344	1.8
876.09448	0.6
928.48883	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	938.5625
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03941	2.5
67.05505	24.5
69.07068	7.0
69.51991	0.8
69.52393	0.6
70.84939	0.2
71.04974	1.1
71.05315	0.2
71.08620	0.3
77.03952	0.2
79.05493	11.8
81.07057	26.7
83.04971	0.8
83.08147	0.4
83.08619	6.2
83.47690	0.2
85.02897	0.3
85.06544	0.9
85.10168	0.2
86.09715	0.4
91.05481	18.8
93.07046	13.8
95.04957	0.8
95.08609	24.1
97.06523	3.2
97.10165	2.0
99.08075	0.7
105.04550	0.3
105.07034	4.8
107.04977	0.3
107.08596	9.3
109.06517	0.4
109.10156	9.7
111.08078	2.1
113.09650	0.4
117.07007	1.4
119.04945	25.3
119.08578	3.5
121.10142	10.7
121.11029	0.4
123.08077	0.8
123.11706	3.6
125.09680	0.4
129.46942	0.3
131.08572	2.8
133.09119	0.4
133.10135	7.2
135.11691	6.3
137.09633	1.2
137.13222	0.7
145.10139	2.3
147.04411	100.0
147.11687	2.3
148.04744	0.5
149.09651	0.3
149.13272	2.0
151.11172	1.6
158.09520	0.3
159.04524	0.3
159.11719	1.5
161.13220	0.4
165.05505	1.5
165.12706	0.5
173.11923	0.3
173.13216	1.3
184.07356	0.6
187.14809	0.7
195.13931	0.3
203.28937	0.2
213.16426	0.3
215.17952	2.4
221.07935	0.6
233.19017	2.0
251.20030	2.0
289.21597	0.4
305.21085	0.4
307.19070	0.4
307.22638	7.8
309.24246	0.6
319.71613	0.3
323.22083	1.2
325.23740	27.3
326.23837	0.3
397.23666	0.3
453.26422	1.5
471.27469	12.2
489.28342	2.8
539.41260	0.7
557.42041	12.6
575.43060	44.8
576.43604	0.8
593.44257	0.9
635.31940	0.5
645.61938	0.3
703.45874	0.5
721.46478	0.9
739.47968	7.2
757.47754	0.4
903.51898	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	938.5617
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03933	2.4
67.05503	22.9
69.03442	0.2
69.07066	6.8
71.04976	0.8
77.03898	0.2
79.05492	11.3
81.07054	22.9
82.91563	0.2
83.04970	0.7
83.08616	5.5
85.02895	0.4
85.06541	1.0
91.05479	16.9
93.07043	13.1
95.04971	0.8
95.08604	21.8
97.06521	2.3
97.10159	2.0
98.20718	0.4
99.08079	0.8
105.04523	0.2
105.07033	4.1
107.04922	0.5
107.08591	7.7
109.06516	0.6
109.10154	9.5
111.08096	2.4
111.11764	0.3
114.97063	0.2
117.07005	1.2
119.04939	22.1
119.08569	3.3
119.09370	0.3
120.05237	0.2
121.10139	10.6
123.08076	0.5
123.11698	2.8
125.09599	0.5
129.06972	0.2
131.08562	2.7
133.10129	5.8
135.11688	5.8
137.09619	1.2
137.13246	0.5
139.11194	0.7
145.10129	2.2
147.04405	100.0
147.11693	2.0
148.04778	0.6
149.13263	1.9
151.11165	1.2
153.82822	0.2
155.10616	0.3
157.10127	0.2
159.11711	1.6
161.13243	0.3
163.11244	0.5
165.05472	2.1
165.12767	0.4
171.11743	0.3
173.13260	1.2
181.12167	0.2
184.07309	0.3
187.14799	0.4
191.14314	0.2
209.15416	0.2
215.17967	1.8
231.17490	0.3
233.18971	2.0
249.65683	0.2
251.20058	1.9
289.21613	0.4
293.08316	0.2
295.03278	0.2
305.21082	0.3
307.22665	6.0
309.24310	0.6
323.22113	1.3
325.23721	22.6
326.24057	0.3
453.26559	1.4
471.27417	13.7
472.27625	0.2
489.28461	3.4
539.41107	0.7
557.42010	10.4
575.43054	39.3
576.43372	0.9
588.85126	0.2
593.44128	0.6
635.31970	0.4
703.45734	0.3
721.46796	0.9
739.47815	7.0
740.47931	0.3
820.08679	0.2
833.47095	0.3
834.48047	1.7
903.53131	1.2
938.52435	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	937.5859
Annotation	Unknow
Peak:m/z	Relative Intensity
65.57957	0.3
67.05515	2.1
69.03429	3.1
69.07063	0.6
69.62254	0.3
71.01392	0.4
71.04997	0.4
71.08628	0.5
73.02917	3.5
78.61202	0.3
79.05505	1.1
81.03423	1.5
81.07047	1.9
85.02908	4.5
87.04490	0.5
91.03962	3.7
91.05495	0.7
93.07053	1.4
95.04982	0.4
95.08617	1.6
97.02896	5.2
99.04461	0.8
101.02348	1.7
103.03929	0.6
107.08618	0.7
109.02909	0.6
109.10161	0.8
115.03905	0.4
119.08567	0.4
121.10163	0.6
127.03938	1.3
129.25986	0.3
138.57626	0.3
144.19196	0.4
185.04308	0.8
191.45755	0.3
203.05301	0.7
229.43568	0.4
243.08424	1.7
262.79828	0.3
313.27444	0.6
330.66248	0.3
335.25812	0.5
347.09470	2.3
363.08823	0.5
365.10562	0.9
405.13647	5.4
497.30899	3.7
519.29327	5.4
659.36157	3.3
681.34601	5.8
775.53186	1.1
937.58600	100.0
938.58325	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	935.5185
Annotation	Unknow
Peak:m/z	Relative Intensity
65.37255	0.3
67.05392	3.0
67.05786	0.6
69.03320	2.7
69.03719	0.4
69.06977	0.6
69.36973	0.7
69.37380	1.4
71.01265	0.4
71.04914	0.6
71.08513	1.2
73.02798	2.8
79.05375	0.4
81.03293	1.5
81.06925	1.7
83.08508	0.7
83.08971	0.3
85.02776	4.8
85.03336	0.5
85.10081	0.7
85.10577	0.3
87.04384	0.4
91.03816	3.2
91.05389	0.4
93.06940	0.4
95.08458	1.0
95.09012	0.3
97.02746	4.3
97.10057	0.5
98.20800	0.7
99.04314	0.7
101.02228	1.7
103.03776	0.5
109.02750	1.0
109.10008	3.4
114.95885	0.3
115.03832	0.4
119.08490	0.4
119.72258	0.3
127.03909	1.5
137.13226	0.3
145.04816	0.4
155.10545	0.6
173.11781	1.4
175.64320	0.3
185.04063	0.7
195.09813	0.5
203.05103	0.7
229.04169	0.3
229.14157	1.2
243.08353	1.8
259.07852	0.4
313.27258	1.0
347.09448	3.9
363.08914	0.8
365.10355	1.2
367.23517	0.3
393.77756	0.3
405.13654	5.5
413.17770	9.3
478.79425	0.3
497.30768	6.7
499.21439	0.4
507.36353	0.4
575.23035	13.1
659.36108	8.4
669.41779	4.5
679.27039	0.4
831.47046	100.0
832.46979	2.8
889.51501	1.7
917.51080	0.8
935.51770	35.2
936.51471	0.9
949.95178	0.4
954.29504	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	932.6305
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03922	1.1
67.05508	34.5
69.03417	1.9
69.07074	11.0
69.91695	0.6
71.04850	1.3
71.08242	1.2
71.08636	16.9
71.93047	0.8
73.02899	2.9
75.04396	0.9
79.05495	19.1
81.07056	38.9
83.08620	8.9
85.02902	13.8
85.06552	1.7
85.10181	10.9
85.66655	0.7
89.06053	1.1
91.03964	10.1
91.05475	12.1
93.07043	24.1
93.07634	1.3
95.04966	1.5
95.08609	33.9
97.02898	9.1
97.06557	1.3
97.10181	3.8
105.04467	0.9
105.07034	6.7
107.08597	12.4
109.09471	1.3
109.10162	17.3
109.26994	0.8
111.08072	0.9
117.07002	2.9
119.08585	6.4
121.10144	10.3
123.08064	1.0
123.11726	6.8
125.09636	1.0
127.03941	4.0
131.08572	6.5
133.10104	5.4
135.11687	9.0
137.13239	3.0
145.04976	5.9
145.10086	4.2
147.11693	4.8
149.13268	6.7
151.11310	0.8
159.11729	3.8
161.13292	3.2
163.06023	7.1
163.14861	5.0
173.13268	4.8
175.14890	1.4
177.16481	1.4
187.14871	1.5
201.16399	1.0
215.17842	1.0
233.22615	1.0
239.23703	2.3
243.21098	10.7
257.24814	2.9
261.22159	35.9
313.27374	100.0
314.27667	1.4
317.24850	5.9
335.25803	85.2
573.48749	44.8
574.49152	1.3
591.49872	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	930.5629
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03941	0.9
67.05505	48.7
69.03434	2.5
69.07069	6.8
69.27885	0.7
69.28284	2.7
71.01370	0.5
71.04994	4.1
71.08635	17.8
73.02911	1.7
79.05498	6.1
81.03421	4.9
81.07056	17.8
83.05005	1.9
83.08620	12.1
85.02428	0.6
85.02908	7.8
85.06557	1.6
85.10186	9.5
85.20435	0.3
87.04469	36.9
89.06011	1.0
91.03966	3.5
91.05477	4.4
93.07043	3.0
95.04981	1.5
95.08607	16.9
96.04506	0.3
97.02898	4.8
97.06554	0.8
97.10167	9.1
99.04457	6.5
99.08089	0.5
99.11718	0.6
101.06039	0.4
103.07607	1.0
105.07047	1.3
107.04973	1.1
107.08593	3.3
109.02878	0.6
109.10158	48.1
111.04431	1.7
111.08087	2.3
111.11704	0.8
115.03916	0.7
117.07064	0.6
119.08595	3.9
121.10146	0.9
123.11725	2.4
125.09630	5.0
125.13342	0.4
127.03935	2.3
129.06981	0.4
131.08577	0.6
135.11685	0.7
137.09604	2.2
137.13248	1.2
143.10687	0.4
145.04944	1.8
145.10149	0.7
147.07971	0.4
147.11748	0.5
151.14789	0.5
153.12764	0.5
155.10667	3.7
163.04745	0.3
163.05960	1.8
163.11234	0.7
165.16447	0.4
173.04468	0.7
173.09538	0.6
173.11740	13.5
181.12254	0.8
191.10683	0.8
193.12244	1.3
199.13306	5.1
199.15036	0.6
202.38451	0.3
209.11671	0.4
227.12743	2.1
229.14357	57.1
230.14772	0.4
239.23682	3.2
241.14362	1.1
257.13788	1.7
257.24808	1.1
267.15906	4.0
268.16318	0.6
283.15372	1.3
313.27371	63.7
314.27646	0.8
315.18036	10.2
327.28882	0.8
336.86920	0.4
341.26877	5.9
341.30536	0.6
342.30817	0.8
437.36295	2.6
455.31000	0.4
455.37360	9.5
467.37347	100.0
468.37326	1.0
477.23621	0.6
505.38898	2.7
521.38196	1.1
535.42279	0.5
539.39307	1.1
553.41364	2.1
571.41821	1.9
715.46185	0.9
930.50885	0.8
931.52496	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	930.563
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03937	1.6
67.05505	48.8
67.29166	0.8
69.03420	5.1
69.07066	9.9
71.01355	0.6
71.04998	8.8
71.08235	1.3
71.08632	25.0
71.53205	1.1
73.02903	2.9
79.05059	1.3
79.05492	14.1
81.03418	7.2
81.07056	26.5
83.01327	1.0
83.04992	4.7
83.08621	19.2
85.02899	14.8
85.06541	1.8
85.10183	15.3
87.04471	30.8
89.06022	2.3
91.03946	4.9
91.05490	5.1
93.07049	5.9
93.91071	0.6
95.04964	2.6
95.08607	24.1
96.04506	1.0
97.02877	7.0
97.06528	1.5
97.10173	21.4
99.04458	20.4
99.11745	1.1
103.07539	1.2
105.07020	1.9
107.04949	2.3
107.08588	8.9
109.02859	1.0
109.10159	39.9
111.04450	3.7
111.08077	2.1
111.11663	1.0
115.03926	2.0
117.07011	1.0
117.09083	0.7
119.08582	3.6
121.10143	1.9
123.04423	1.0
123.11686	2.9
125.08758	1.4
125.09633	17.4
127.03901	3.4
129.05511	0.9
131.08557	1.4
135.11687	2.1
137.09605	1.8
137.13248	1.2
139.11171	0.7
143.10681	2.2
145.04997	2.3
145.10176	3.6
149.09686	0.9
153.12711	1.4
155.10667	3.4
163.06013	1.9
163.11174	4.2
173.04497	0.8
173.09531	0.9
173.11751	10.8
173.13196	1.3
181.12138	0.7
191.10683	2.0
193.12245	2.0
198.74121	0.7
199.13287	20.0
209.11726	2.4
217.98027	0.7
223.13341	2.6
227.12752	5.3
229.14348	47.8
239.23764	5.1
241.14366	7.5
257.14111	1.1
257.24728	1.6
265.14383	1.5
267.15939	5.2
281.90454	0.8
283.15359	4.5
313.27365	100.0
314.27795	1.4
315.18021	19.0
327.28943	0.7
333.19073	2.9
341.26810	5.4
345.73090	0.8
437.36270	10.8
455.37335	45.5
456.37793	1.0
467.37350	62.3
468.37552	1.3
505.38702	4.6
521.38208	1.5
524.96167	0.8
539.39221	2.3
553.41083	8.8
571.42035	11.3
715.45612	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	930.5632
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03951	0.7
67.05508	45.0
69.03436	3.9
69.07070	11.4
71.04993	10.1
71.08635	24.5
71.09035	0.4
73.02904	1.5
79.00789	0.8
79.05489	14.8
81.03429	5.2
81.07059	28.6
83.04987	4.2
83.08620	19.0
83.09112	0.7
84.08504	0.7
85.02909	10.7
85.06539	2.1
85.10186	14.5
87.04472	30.6
89.06007	1.9
91.03998	3.7
91.05475	5.2
93.07047	5.5
95.04960	3.0
95.08609	24.2
97.02896	5.6
97.06516	1.9
97.10175	22.4
98.20630	1.4
99.04456	19.2
99.11752	1.0
101.02404	0.8
101.05997	1.0
101.09652	0.9
103.07591	1.9
105.07056	2.0
107.04971	2.5
107.08587	7.8
109.02826	0.9
109.10160	40.3
111.04446	2.6
111.08088	2.0
111.11711	1.6
115.03913	1.8
117.07013	1.1
119.08592	5.2
121.06480	0.9
121.10122	2.2
123.08080	0.8
123.11720	3.2
125.09644	13.6
127.03909	2.3
131.08546	0.9
135.11667	2.0
137.09612	1.4
137.13263	1.8
143.10687	1.6
145.04942	1.5
145.10117	1.9
153.12726	1.7
155.10649	4.0
157.10240	0.8
157.12225	1.4
163.11218	3.0
173.11732	10.2
175.11232	1.4
181.12193	1.0
185.42198	0.6
191.10692	2.3
193.12305	0.9
199.13301	19.4
209.11688	2.3
211.13266	0.8
223.13286	2.4
227.12788	7.9
229.14351	49.9
239.23674	4.9
241.14410	6.7
257.13885	1.4
257.24698	0.9
265.14328	1.4
267.15875	3.5
268.16312	0.9
283.15427	4.3
313.27380	100.0
314.27753	1.2
315.18024	25.8
333.19104	3.4
341.26825	7.4
341.30582	1.5
342.30823	0.9
418.69159	0.8
437.36212	11.1
455.37347	48.6
456.37592	1.2
467.37354	69.3
468.37906	1.3
483.36426	1.1
505.38577	2.0
509.79803	0.8
521.38806	1.6
535.42407	1.3
539.39392	5.4
553.41028	9.6
571.42072	14.1
930.32233	0.8
930.50568	2.6
931.51300	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	930.5624
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03938	0.8
67.05505	39.8
69.03419	2.2
69.06730	0.4
69.07067	5.6
70.49881	0.3
71.01337	0.4
71.04993	4.1
71.08633	15.0
71.17724	0.4
71.18037	0.5
73.02918	1.9
73.08965	0.4
79.05490	5.1
81.03407	3.0
81.07053	15.2
83.04958	1.5
83.08618	9.9
85.02438	0.5
85.02906	6.6
85.06530	1.8
85.09721	0.6
85.10185	7.5
87.04469	33.0
89.06010	0.8
91.03941	3.3
91.05481	3.9
93.07043	2.7
95.04951	1.1
95.08606	13.9
97.02887	4.7
97.06539	0.9
97.10176	8.5
99.04458	5.3
99.08085	0.7
105.07021	1.2
107.04948	0.6
107.08591	3.3
109.02834	0.5
109.06461	0.5
109.10155	40.4
110.10497	0.5
111.04401	1.3
111.08081	2.3
111.11703	0.7
115.03904	0.8
119.08601	2.7
121.10146	0.7
123.08035	0.5
123.11713	2.2
125.09635	4.5
127.03926	2.3
131.08545	0.6
133.10103	0.5
135.11658	1.0
137.09593	1.6
137.13257	0.9
143.10623	0.4
145.04953	1.5
145.10139	0.6
147.04413	0.5
147.11729	0.8
153.12685	0.8
155.10666	3.5
159.11841	0.4
163.06024	1.5
163.11182	0.9
173.04428	0.8
173.11745	12.1
181.12234	0.6
188.47273	0.4
191.10710	0.6
193.12288	1.1
199.13293	5.0
209.11615	0.6
227.12756	2.2
229.14352	55.6
239.23633	2.8
241.14330	1.3
257.13889	1.5
257.24692	0.8
267.15952	3.9
283.15424	1.5
290.20032	0.4
313.27362	65.1
314.27740	1.4
315.18042	9.3
333.19312	0.6
341.26892	4.7
407.31430	0.5
437.36203	2.7
455.37296	9.9
467.37338	100.0
468.37543	2.4
477.22949	0.4
505.38852	2.8
521.38654	1.0
539.39575	0.7
539.75781	0.4
553.40881	1.5
557.56732	0.4
571.41925	1.3
580.39398	0.4
588.46735	0.6
715.46936	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	919.5234
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05507	1.3
69.03428	2.9
69.07072	0.8
69.50544	0.4
69.50954	0.9
71.01358	0.4
71.05003	0.6
71.08629	0.9
73.02918	3.5
78.78005	0.1
79.05495	1.2
81.03422	2.2
81.07063	1.8
83.05002	0.3
83.08630	0.8
85.02908	4.6
85.06567	0.2
85.10201	0.5
87.04483	0.5
89.06052	0.2
91.03954	2.8
91.04446	0.2
91.05488	1.2
93.07033	0.9
95.05005	0.6
95.08606	1.7
97.02895	4.6
97.06552	0.2
97.10189	0.3
99.04480	0.8
101.02392	1.3
103.03957	0.3
105.07030	1.0
107.08599	0.4
109.02874	0.9
109.06480	0.2
109.10148	0.9
111.04422	0.2
111.08150	0.2
115.03960	0.3
117.03394	0.2
119.04981	0.5
119.08604	0.7
121.10147	0.8
123.08125	0.2
123.11755	0.3
127.03943	1.3
129.07005	0.3
131.08615	0.8
133.10167	0.4
135.04459	0.5
145.02870	0.4
145.05078	0.3
147.04430	3.0
147.11676	0.8
149.09622	1.1
157.10162	0.5
160.11253	0.2
163.03917	2.2
163.05046	0.2
175.11148	0.3
183.13705	0.2
185.04189	0.8
193.12357	0.6
197.15471	0.4
203.05388	0.7
225.15016	0.6
243.08473	1.4
253.14209	0.2
259.35791	0.2
267.15958	0.5
283.15182	2.4
305.08456	0.2
313.27515	0.7
339.17728	1.1
347.09537	2.6
363.09094	0.4
365.10498	1.2
405.13702	5.3
407.11945	0.2
469.20679	0.3
497.23608	0.4
497.30875	5.7
498.30975	0.2
501.23114	9.4
575.43457	0.3
577.42139	0.2
595.41785	0.5
603.26202	0.3
631.26007	0.2
659.36090	5.8
663.28375	8.8
757.47095	2.9
919.52374	100.0
920.52765	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	919.5233
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05498	1.3
69.03428	2.4
69.07066	0.6
70.11161	0.8
71.01346	0.3
71.04982	0.6
71.08624	1.0
73.02918	2.9
79.05505	0.7
80.19176	0.2
81.03416	2.8
81.07050	1.6
83.04988	0.4
83.08617	1.2
85.02905	4.5
85.10197	0.4
86.01722	0.2
87.04488	0.5
91.03957	2.1
91.05476	1.3
92.00237	0.2
93.07055	0.9
95.04960	0.8
95.08611	1.2
97.02892	4.4
97.06549	0.2
97.10199	0.3
99.04465	0.4
101.02378	1.6
103.03954	0.3
105.07043	0.9
107.08603	0.5
109.02897	0.7
109.10184	0.6
115.03928	0.3
119.08586	0.5
121.06515	0.2
121.10146	1.0
123.11710	0.3
127.03918	1.4
129.06979	0.2
131.08615	0.6
132.69118	0.2
133.10112	0.4
145.04974	0.3
147.04488	0.2
147.08102	0.2
147.11734	0.4
149.09622	0.9
157.10118	0.4
163.03911	0.3
173.38042	0.2
175.11223	0.6
185.04205	0.9
193.12289	0.7
197.15343	0.2
203.05350	0.6
225.15034	0.3
225.90250	0.2
239.23685	0.3
243.08415	1.5
257.51587	0.2
259.07870	0.3
267.16046	0.7
278.12231	0.2
283.15140	2.7
310.93613	0.2
311.89877	0.2
313.27377	0.9
339.17581	0.9
347.09521	2.7
363.08975	0.4
365.10605	1.1
365.56940	0.2
388.43860	0.2
405.13690	5.0
465.78564	0.2
469.20718	0.3
496.10120	0.2
496.90979	0.2
497.30869	5.2
497.37845	0.3
501.23026	10.2
531.25812	0.2
595.42090	0.4
631.27026	0.2
645.27838	0.2
659.36115	5.7
663.28345	9.8
757.46948	3.4
883.86432	0.2
919.52344	100.0
920.52631	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	918.4902
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03873	0.9
67.05425	12.4
69.03354	2.8
69.06985	3.1
69.07343	1.0
70.06544	1.3
71.04913	3.0
71.05294	0.8
71.52705	0.7
75.94101	0.5
77.03843	0.6
79.05405	16.5
81.03331	36.6
81.03856	2.8
81.06969	12.7
81.07478	0.8
83.04978	5.1
83.08533	12.0
84.04433	1.3
85.02899	3.6
85.06468	0.8
86.09644	0.7
91.03905	0.6
91.05479	11.6
93.07049	10.6
95.04967	17.3
95.08608	6.5
96.08071	0.6
97.02901	2.9
97.06532	3.3
97.10177	11.2
99.04363	0.8
105.07035	9.5
107.04955	9.7
107.08598	9.8
109.02807	0.8
109.06521	6.1
109.10155	5.1
110.53542	0.6
111.04337	2.3
111.08095	3.2
113.05953	0.7
115.05383	1.0
117.07035	3.9
119.04875	1.4
119.08584	10.3
120.22929	0.6
121.06511	9.0
121.10147	7.2
123.04343	2.0
123.08044	3.5
123.11625	1.0
125.05963	0.8
125.09631	11.1
127.03863	1.0
128.06209	0.6
129.05406	0.9
129.07013	5.9
131.04836	2.3
131.08575	7.5
133.06377	2.7
133.10144	4.1
135.04312	0.6
135.08066	3.5
135.11588	1.9
137.05867	2.0
137.09523	1.1
138.05428	1.2
139.03813	1.3
139.11163	0.6
141.06921	0.9
142.07693	1.3
143.08463	2.6
143.10516	0.7
145.04822	0.9
145.06367	4.7
145.10098	3.9
147.04326	1.6
147.08058	4.6
147.11703	5.7
149.05942	0.9
149.09621	4.0
151.07466	0.8
153.09094	3.4
153.12617	0.9
155.08453	1.8
157.06392	1.7
157.10132	6.0
159.07973	2.1
159.11595	1.9
161.05864	1.4
161.09518	1.9
163.03838	1.9
163.11186	2.9
165.12610	1.0
167.10623	1.2
169.09995	1.4
171.07925	1.8
171.10170	1.0
171.11615	2.6
173.09604	1.4
173.11717	0.7
173.13120	0.7
175.11192	5.6
177.05406	0.7
177.12704	0.7
181.10025	0.7
183.11542	0.9
185.09573	0.7
185.13148	1.0
187.11104	1.8
187.14731	0.7
189.11116	6.5
189.12743	1.5
191.14291	1.5
193.12238	14.6
195.11597	1.7
197.13235	1.1
199.11266	1.2
199.13106	0.8
201.12711	1.0
205.12177	1.4
205.15869	0.7
211.11118	1.0
211.13219	1.6
213.12621	1.4
215.14290	1.6
217.12115	1.1
219.13748	2.4
223.11122	0.9
223.13229	1.1
225.12651	0.9
227.12674	1.8
229.14229	1.5
231.13530	0.9
231.41277	0.6
233.15341	4.0
235.13266	2.3
237.12683	0.8
237.14771	0.8
241.12111	1.0
241.14273	0.7
243.13852	0.8
245.15332	1.3
249.14851	1.8
255.13663	1.8
257.15323	0.7
259.13257	1.3
267.15927	43.7
269.15387	0.9
271.16904	0.6
273.05984	1.0
273.14734	6.3
293.17502	0.9
309.16962	1.2
323.16513	0.7
325.27283	0.6
339.23178	1.6
349.21671	4.1
357.24243	2.0
367.22705	11.8
385.23718	20.2
386.04575	0.7
403.24820	4.7
405.24249	0.7
437.25354	1.0
441.26398	8.8
459.27420	99.3
460.27725	2.0
471.26807	0.8
477.28494	100.0
478.28821	1.6
491.30048	14.1
499.17346	0.7
501.28552	6.3
509.31094	6.1
513.28613	2.0
517.18140	0.7
519.29498	1.2
531.29767	2.0
541.33514	0.8
543.29480	2.4
555.29407	1.7
567.29584	5.0
585.30731	1.5
602.68329	0.6
603.31830	1.5
918.51361	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	916.5476
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03922	1.2
67.05506	32.5
69.03424	2.6
69.07069	8.7
70.45654	1.0
71.01337	1.1
71.04980	1.5
71.08633	16.9
73.02921	2.7
79.05080	0.7
79.05494	9.9
81.02994	0.3
81.03423	3.7
81.07060	17.4
83.04987	3.8
83.08622	11.3
85.02907	16.4
85.03442	0.6
85.06524	1.5
85.10186	8.9
87.04478	3.9
88.69725	0.3
89.06004	1.0
91.03416	0.5
91.03959	5.0
91.05477	3.9
93.07035	4.6
93.78790	0.3
95.04955	1.5
95.08608	17.4
97.02896	5.8
97.06546	1.6
97.10173	17.0
99.04447	1.1
99.11737	0.6
101.06018	0.4
103.03915	1.1
103.07569	0.7
105.07019	1.8
107.04968	1.8
107.08602	6.4
109.02885	0.5
109.06509	0.7
109.10159	27.6
111.04427	1.4
111.08063	1.1
111.11720	0.6
117.06986	1.0
119.08572	3.0
121.06397	0.4
121.10129	2.3
123.08058	0.9
123.11717	2.5
125.09634	15.4
125.13262	0.4
127.03947	2.5
127.11131	0.4
129.05489	0.5
131.08537	0.6
133.10117	0.6
135.08023	0.6
135.11681	1.5
137.09628	1.6
137.13232	1.0
141.09079	0.4
143.10670	3.4
145.04984	1.9
145.10201	1.8
147.07988	0.6
151.14851	0.5
153.12717	1.1
155.10667	2.1
159.06622	0.3
162.67070	0.3
163.06044	2.5
163.11174	3.4
165.16338	0.4
173.09612	0.7
173.10101	0.5
173.11742	7.8
181.12288	1.6
191.10617	2.0
193.12192	0.4
199.13304	10.7
209.11742	5.5
217.14357	1.7
221.22650	0.3
227.12805	10.8
229.14355	44.3
235.31085	0.4
239.23691	4.5
241.14424	0.4
245.13837	0.4
257.13809	0.9
257.24689	1.8
265.14423	1.1
267.15903	2.6
283.15381	6.7
284.56525	0.3
294.95102	0.3
296.69760	0.4
299.14896	2.4
300.15283	1.4
301.16458	34.2
313.27368	100.0
314.27588	1.9
319.17572	2.1
331.28339	0.5
332.26514	0.3
341.26978	2.0
437.36224	5.4
455.37354	17.3
463.21893	0.9
467.37360	28.7
468.37677	0.4
479.37061	0.5
503.36578	0.5
505.38663	1.6
521.38422	4.0
538.38470	0.8
539.39423	22.0
557.40466	6.1
701.44623	1.3
917.51276	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	916.5478
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03941	1.3
67.05505	37.7
69.03431	2.7
69.06728	0.7
69.07070	8.1
69.37588	0.9
69.38000	2.8
71.01341	1.0
71.04987	1.9
71.08635	19.8
72.05129	0.4
73.02915	2.1
73.52386	0.4
79.05067	0.7
79.05495	9.6
81.03422	3.8
81.07056	20.6
83.04995	3.1
83.08618	13.0
83.09123	0.6
85.02905	15.8
85.06528	1.9
85.09669	0.5
85.10180	10.2
87.04466	3.6
89.06019	1.2
91.03958	3.9
91.05477	5.0
93.07047	4.7
95.04974	1.5
95.08607	17.9
97.02901	4.8
97.06530	1.9
97.10170	15.8
99.04446	1.1
99.08075	0.5
99.11724	0.7
101.02422	0.5
103.03925	0.8
103.05377	0.5
103.07563	0.5
105.07022	2.3
107.04973	1.1
107.08587	7.7
109.02907	0.7
109.06505	0.6
109.10156	34.4
111.04478	1.1
111.08072	1.7
111.11703	1.0
117.07005	1.1
119.08575	3.5
121.06478	0.5
121.10134	2.5
123.08063	0.6
123.11729	2.9
125.08766	0.8
125.09632	12.2
126.95518	0.5
127.03912	2.2
131.08563	1.6
133.10115	1.1
135.08063	0.6
135.11690	1.6
137.09615	1.6
137.13240	1.0
139.11125	0.5
143.10674	2.6
145.04950	2.2
145.10155	1.7
151.14816	0.5
153.12749	1.6
155.10699	2.7
163.06023	1.8
163.11221	2.2
173.09616	0.7
173.10138	0.6
173.11737	9.1
181.12198	1.3
182.92131	0.4
191.00456	0.5
191.10648	1.6
193.12152	0.6
199.13303	10.4
209.11748	4.5
217.14375	1.1
227.12782	5.9
229.14355	53.3
239.23694	3.5
257.13934	1.0
257.24796	1.7
265.14413	0.7
267.15915	2.0
283.15390	5.5
299.14911	1.4
300.15305	1.0
301.11273	0.6
301.12891	0.7
301.16461	27.9
313.27368	100.0
314.27768	1.9
319.17349	0.5
331.28574	0.5
341.26999	2.3
437.36276	6.1
455.37354	14.7
463.21732	1.2
467.37341	35.3
468.37549	0.8
503.36801	0.7
505.38943	1.4
521.38379	4.2
539.39423	19.2
557.40247	3.1
701.43958	1.6
875.85095	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	916.5475
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03925	0.9
67.05505	40.5
69.03432	2.9
69.07065	9.3
70.12080	0.5
71.01344	1.5
71.04974	2.1
71.08630	20.8
71.53097	0.7
71.53466	0.6
73.02914	1.9
79.05074	0.9
79.05491	12.0
81.03416	4.3
81.07053	25.0
83.04975	4.4
83.08619	15.2
85.02903	18.6
85.06531	1.9
85.09652	0.8
85.10180	13.5
87.04458	5.3
89.06020	1.7
91.03947	4.1
91.05476	6.4
93.07041	5.0
95.04935	1.4
95.08604	21.4
96.36194	0.5
97.02891	5.3
97.06534	1.4
97.10167	23.3
99.04448	0.6
99.11739	0.7
103.03941	1.1
103.07590	0.7
105.07008	1.8
106.58238	0.5
107.04958	1.8
107.08595	7.9
109.06514	1.2
109.10153	36.2
111.04451	0.8
111.08066	1.2
111.11728	1.1
113.13303	0.5
117.06991	1.0
119.08590	3.8
121.10114	1.7
122.75120	0.5
123.08061	0.6
123.11707	3.2
125.09625	17.3
127.03911	1.9
131.08566	1.0
133.10155	0.7
135.11676	2.1
137.09598	1.2
137.13263	1.3
143.10690	4.5
145.04944	1.6
145.10098	2.2
153.12784	1.4
155.10655	2.5
163.05986	1.6
163.11209	3.3
173.09538	1.0
173.10103	0.7
173.11726	9.1
181.12221	1.4
189.11081	0.5
191.10657	2.3
199.13283	11.0
209.11679	4.0
217.14336	1.3
221.22797	0.7
227.12781	15.4
229.14346	44.1
239.23683	4.1
243.32773	0.5
244.85445	0.5
257.13925	1.1
257.24747	1.5
263.10577	0.5
265.14474	1.0
267.16000	1.8
283.15402	4.2
297.22586	0.5
301.16458	37.3
313.27359	100.0
314.27701	1.6
319.17480	2.5
320.21295	0.6
341.26779	1.6
437.36191	6.6
455.37311	20.3
463.21753	1.0
467.37311	26.7
478.21359	0.6
503.37372	0.6
505.38925	1.0
521.38605	2.5
539.39404	21.4
540.39221	0.6
557.40381	7.5
701.44659	2.3
765.07513	0.6
769.83661	0.6
917.44904	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	914.5681
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03935	0.5
67.05510	9.6
69.03440	1.7
69.07077	4.5
70.09743	1.4
71.05003	0.8
71.08635	16.8
72.40197	0.4
73.02905	1.1
74.98190	0.4
76.04655	0.3
79.05497	5.0
81.03423	45.9
81.07056	11.9
83.04980	2.4
83.08624	15.1
83.09122	0.7
85.02905	4.2
85.06554	0.9
85.10188	10.7
89.06033	1.0
91.03960	2.9
91.05489	8.4
92.16087	0.4
93.07050	3.9
95.04974	14.2
95.08614	14.2
97.02899	3.6
97.06530	1.1
97.10168	4.4
98.20839	0.5
99.08109	0.5
99.11742	0.7
103.07584	0.7
105.07041	5.6
107.04971	3.3
107.08617	2.0
109.02835	0.4
109.06510	1.8
109.10157	6.8
111.04432	0.7
111.08089	3.6
111.11697	0.8
115.05396	0.7
117.07042	1.1
119.04910	0.6
119.08592	6.8
121.06552	1.7
121.10138	4.0
123.04438	1.2
123.08050	0.8
123.11702	3.4
125.09695	0.4
125.13280	0.5
127.03922	1.3
129.07024	4.6
131.08588	4.8
133.06534	2.0
133.10146	2.6
135.08038	0.5
135.11705	0.6
137.09633	1.0
137.13286	0.9
138.08711	0.3
142.07835	1.2
143.08580	0.4
145.04964	1.9
145.10150	0.9
147.04439	0.7
147.08037	1.7
147.11679	4.4
149.09633	2.9
151.14851	0.4
157.10141	5.7
157.11345	0.6
161.06000	0.5
163.06021	2.6
163.11205	1.0
165.12775	1.4
170.07059	0.4
175.11195	6.6
189.05437	0.4
189.12724	0.4
193.12251	20.9
205.12257	0.4
211.13295	1.2
235.13316	1.4
239.23618	1.9
249.14888	1.4
257.24774	1.8
259.13348	1.3
267.15924	100.0
268.16257	1.0
273.14838	1.1
277.14490	0.5
301.14316	2.1
309.16974	2.9
313.27371	96.0
314.27844	1.2
319.15424	0.6
333.17029	0.6
358.69394	0.3
371.66821	0.4
375.18057	0.5
393.19101	0.5
505.38910	86.5
506.39243	1.3
523.40021	3.0
547.39948	7.1
565.41388	0.8
589.40900	1.2
601.41003	2.9
613.41022	2.3
631.41937	2.8
649.43042	2.0
801.01373	0.4
881.27319	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	914.5681
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03931	0.5
67.05501	10.0
69.03422	1.1
69.06731	0.4
69.07071	4.9
69.56558	0.3
70.77518	0.8
71.01304	0.3
71.04982	1.0
71.08630	17.1
73.02917	1.4
79.05062	0.5
79.05492	5.7
81.03416	46.0
81.07056	13.4
83.04975	2.1
83.08617	15.4
83.09116	0.6
85.02900	4.3
85.06541	0.9
85.10179	11.1
89.06031	0.9
91.03946	3.4
91.04891	0.5
91.05476	8.3
93.07034	3.8
95.04971	14.9
95.08606	13.3
95.75047	0.3
97.02899	3.8
97.06516	1.1
97.10174	4.3
99.11749	0.7
100.43502	0.3
103.07578	0.6
105.05865	0.3
105.07030	6.5
107.04958	2.9
107.08598	2.7
109.02901	0.5
109.06506	1.7
109.09462	0.6
109.10159	7.0
110.60882	0.3
111.04456	1.3
111.08081	4.4
111.11732	0.6
115.05428	1.0
117.07021	0.7
119.04960	0.5
119.08578	5.9
121.06516	1.6
121.10155	3.5
123.04446	1.3
123.08074	0.9
123.11708	2.9
125.09644	0.6
125.13245	0.5
127.03937	1.3
129.07005	6.3
131.08565	4.6
133.06487	1.7
133.10136	2.3
135.11649	0.7
137.06009	0.5
137.09622	1.2
137.13289	1.0
142.07773	1.2
145.04945	1.4
145.10136	1.2
147.04420	0.8
147.08070	1.9
147.11687	5.2
149.09590	2.9
157.10129	6.2
157.11334	0.6
163.06027	2.7
163.11171	0.9
165.12704	0.7
175.11183	7.1
177.12791	0.4
182.61655	0.3
184.07603	0.4
189.12869	0.5
193.12239	22.3
205.12228	0.5
211.13312	1.2
224.50452	0.4
235.13336	1.4
239.23705	1.8
249.14838	1.6
257.24692	2.5
259.13272	1.2
267.15906	100.0
268.16260	1.3
273.14825	1.2
277.14267	0.4
297.25525	0.3
301.14401	1.5
309.17007	3.2
313.27353	95.9
314.27670	1.5
319.15530	0.5
328.13995	0.3
333.16910	0.7
337.16260	0.4
375.17807	0.4
393.18649	0.4
411.20026	0.4
429.20822	0.4
447.68985	0.4
505.38876	84.0
506.39221	1.8
523.39874	3.3
547.39966	6.0
565.40906	1.0
589.40643	1.2
601.40741	2.8
613.40814	1.5
631.42255	2.0
649.42896	1.8
914.51538	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	909.4821
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05511	8.4
69.03437	3.4
69.07060	2.8
69.79340	0.9
70.06594	1.0
71.52512	1.5
73.02925	3.7
79.05490	4.4
81.03416	2.2
81.07070	4.4
83.08610	1.3
85.02925	4.1
87.04530	0.9
91.03978	3.2
91.05486	3.4
93.07053	3.0
95.08675	2.5
97.02895	5.9
97.06551	2.9
98.47981	1.1
99.04478	1.2
105.07049	1.9
107.08590	1.1
109.10152	6.3
115.03844	0.8
119.08611	2.0
121.10165	1.1
127.03933	1.5
130.22047	0.8
131.08606	1.2
139.45593	1.0
155.10727	1.2
173.11783	2.5
184.07425	2.8
185.04222	0.9
229.14557	1.6
243.08525	2.8
301.09039	3.4
349.19843	10.6
369.15201	1.0
371.16739	1.5
373.11273	2.8
379.99014	1.1
385.18411	2.2
390.15738	1.0
405.22833	1.4
413.17883	13.8
429.17682	1.3
439.19180	1.6
453.21307	2.0
457.58908	1.0
469.20828	2.0
493.24417	1.1
541.22858	2.4
567.27924	11.5
577.32813	1.5
611.30164	1.1
625.31958	2.1
639.30438	2.4
681.34668	1.2
721.37573	1.8
739.38721	100.0
740.39587	1.8
765.39502	1.4
767.41821	5.5
795.41565	3.5
909.47925	39.4
910.46844	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	912.5519
Annotation	Unknow
Peak:m/z	Relative Intensity
65.26888	0.6
67.05508	14.7
69.03426	2.3
69.07071	8.8
70.46629	0.6
71.01342	2.0
71.04996	4.6
71.08633	16.7
71.52640	0.6
73.02912	2.4
73.44874	0.7
79.05495	15.0
80.95590	0.7
81.03414	19.1
81.07056	20.2
83.01366	1.9
83.04979	7.0
83.08621	10.2
85.02456	0.7
85.02915	12.6
85.06534	2.5
85.10179	10.8
89.06035	1.6
91.03971	5.2
91.05495	8.5
93.07046	16.1
95.04974	5.8
95.08609	20.4
97.02895	10.7
97.06541	4.9
97.10187	4.9
97.30493	0.9
98.21622	1.5
99.04453	2.4
99.08106	1.1
101.02387	0.8
105.07024	4.7
107.04958	14.5
107.08587	8.6
109.02892	1.3
109.06522	3.5
109.10170	8.2
111.04443	18.3
111.08096	2.5
111.11721	1.7
113.06026	0.8
114.56467	0.7
117.06998	5.6
119.08572	8.3
121.06508	5.3
121.10139	8.0
123.08070	5.1
123.11706	2.9
125.06024	4.5
125.09633	1.5
125.13271	0.8
127.03941	2.5
127.20753	0.7
129.06996	1.4
131.08595	5.7
133.10083	0.9
135.04391	0.7
135.08051	2.9
135.11705	13.5
137.09616	1.5
137.13249	1.5
139.07581	1.1
143.08531	1.1
145.04953	2.1
145.06544	1.4
145.10132	16.1
147.08084	2.2
149.05983	0.8
149.09662	1.6
153.12740	6.7
155.08554	2.6
159.25435	0.7
163.06000	1.3
163.11179	22.0
173.09659	6.0
177.12787	1.0
181.12245	5.0
191.10664	8.6
209.11740	9.6
223.13304	15.7
227.12759	5.2
229.25803	1.0
239.23616	1.6
241.14345	22.5
241.16747	1.4
249.10921	2.1
250.11484	0.7
257.24857	2.1
265.14322	12.0
283.15402	27.7
297.16989	2.4
313.27365	71.5
314.27719	0.9
315.18021	43.1
327.29102	1.7
405.13794	1.1
459.22354	1.2
467.18661	1.1
468.19073	1.7
503.37259	11.5
521.38373	100.0
522.38849	1.8
524.32477	1.1
535.39899	2.3
539.39490	2.1
553.41010	69.8
554.41241	1.4
630.24304	1.8
697.44757	1.4
912.49988	23.1
913.50342	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	900.5528
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05505	13.9
69.03390	1.7
69.07063	7.2
69.67342	2.4
69.67749	1.0
70.06525	0.5
71.01320	0.7
71.04969	1.7
71.08633	17.5
73.02885	2.1
79.05074	0.6
79.05492	9.1
81.03416	58.4
81.07056	17.0
83.04977	3.2
83.08617	20.2
85.02911	4.7
85.06509	1.4
85.10184	11.8
89.05991	1.3
91.03956	3.5
91.05480	11.8
93.07039	7.6
95.04380	0.8
95.04971	17.3
95.08611	18.1
96.08922	0.6
97.02910	4.5
97.06520	1.8
97.10176	4.2
98.21606	0.6
99.27333	0.5
103.07559	0.8
105.06400	0.8
105.07025	8.5
107.04956	4.6
107.08607	4.3
108.51582	0.6
109.02847	1.0
109.06505	2.3
109.10153	7.9
111.04398	2.1
111.08083	6.5
111.11664	0.9
115.05412	1.1
117.06980	1.2
119.08587	9.9
121.06487	2.4
121.10148	4.4
123.04424	1.1
123.08073	1.3
123.11700	2.7
125.09606	0.9
127.03893	1.5
129.07008	6.7
131.08572	5.4
133.06392	2.4
133.07358	0.5
133.10121	2.8
135.11717	1.1
137.09618	0.7
137.13222	1.5
139.41989	0.5
142.07771	1.6
145.04919	2.2
145.10080	1.8
147.08080	2.5
147.11699	5.2
149.09613	3.4
157.10133	7.5
159.11813	0.5
163.06052	3.0
163.11168	1.5
165.12694	1.9
171.11656	0.6
175.11189	6.4
177.36253	0.6
189.05420	0.6
189.12733	0.6
193.12248	22.6
205.12160	0.7
209.11841	0.7
211.13261	1.6
235.13168	1.2
239.23788	2.7
244.59949	0.6
249.14943	1.4
257.24713	2.2
259.13202	1.5
267.15915	100.0
268.16211	0.6
273.14771	1.0
283.15433	0.6
284.16064	0.6
285.17026	0.9
301.14175	1.9
302.16751	1.1
309.17014	1.8
313.27362	97.2
314.27789	2.7
375.17776	0.7
393.18915	0.8
505.38879	81.6
506.39047	1.7
523.40234	4.5
541.40057	0.9
547.40039	6.2
565.41089	0.8
571.40057	0.7
589.40607	0.8
601.41003	2.3
613.40759	1.3
631.42023	2.4
649.43134	1.8
900.50238	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	900.553
Annotation	Unknow
Peak:m/z	Relative Intensity
64.93258	0.6
65.03925	0.8
67.05506	15.2
69.03412	1.6
69.07072	7.7
71.04970	1.5
71.08638	19.5
71.52998	0.7
73.02879	1.9
79.05071	0.7
79.05493	8.8
81.03422	61.8
81.07056	19.5
83.04974	3.5
83.08624	18.4
85.02903	6.9
85.06538	0.8
85.10186	11.5
89.05989	1.7
91.03963	3.1
91.05486	12.7
93.07047	7.4
95.04976	16.8
95.08609	17.5
97.02894	5.2
97.06504	1.7
97.10170	5.4
99.08045	1.0
99.11723	0.9
103.05475	0.6
103.07542	1.0
105.06389	1.1
105.07030	9.9
107.04970	3.8
107.08611	4.9
109.02880	0.7
109.06504	1.9
109.09502	0.7
109.10165	9.1
111.04399	1.3
111.08082	4.6
111.11696	0.8
117.06956	1.4
117.09100	0.7
119.08578	7.9
121.06465	2.1
121.10149	6.0
123.04446	1.4
123.08076	1.3
123.11710	3.5
125.09602	1.4
125.13332	0.7
127.03899	1.9
129.07014	6.3
131.08582	7.2
133.06494	2.3
133.10135	3.3
135.08084	0.9
135.11681	1.6
137.09579	1.3
137.13245	1.1
142.07762	1.6
145.04927	2.1
145.10091	1.9
147.08005	2.1
147.11705	4.9
149.09621	2.9
157.10126	8.5
163.06018	3.9
163.11177	2.0
165.12683	1.3
175.11188	7.3
189.05386	0.7
189.12729	0.9
193.12251	25.0
211.13255	1.9
211.44461	0.7
213.12813	0.5
227.12805	0.7
235.13304	1.6
239.23703	2.2
249.14821	2.2
257.24744	1.5
259.13248	1.0
266.14801	0.7
267.15921	97.8
268.16364	0.8
273.14954	1.1
283.15472	1.4
284.15756	1.0
301.16763	1.2
302.16891	1.4
309.16888	2.8
313.27380	100.0
314.27719	4.6
319.15393	0.9
333.16940	1.0
483.30966	0.7
505.38901	77.8
506.39072	2.5
522.39050	1.1
523.39697	3.9
540.39661	0.7
541.40094	1.2
547.39960	5.8
601.41193	2.8
613.40912	2.1
617.10284	0.6
621.79688	0.6
631.42017	1.4
649.42847	2.0
667.44989	0.8
900.45203	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	898.5369
Annotation	Unknow
Peak:m/z	Relative Intensity
66.14513	1.0
67.05507	24.1
67.05843	2.1
68.05048	2.3
69.03429	9.0
69.05816	2.1
69.07065	8.0
69.60677	7.0
70.02940	1.3
70.06577	6.9
71.01396	1.3
71.05009	2.2
71.08635	12.9
72.04518	52.2
72.08167	1.4
73.02911	9.0
73.05311	2.5
74.06096	1.9
75.66801	1.1
76.43157	1.1
79.05486	10.5
80.05003	2.6
81.03410	6.8
81.07057	18.8
82.06582	3.5
83.04988	3.6
83.08622	10.1
84.04506	15.1
84.08140	1.6
85.02907	22.4
85.03427	1.3
85.10202	5.5
86.06081	2.5
86.09721	3.2
91.03963	10.4
91.05473	7.7
93.07050	8.2
94.06580	1.5
95.04977	3.4
95.08607	16.5
96.04501	2.6
96.08142	2.3
97.02901	12.9
97.06512	2.1
97.08936	2.1
97.10162	10.1
98.06069	2.8
98.07352	1.5
99.04457	3.1
99.08096	1.4
100.03996	3.9
102.05553	19.9
105.07042	2.3
106.06573	1.6
107.04959	3.0
107.08601	3.4
109.02902	1.8
109.10152	20.9
110.06084	2.3
110.09718	1.7
112.07639	2.7
114.05555	1.5
114.09206	1.6
114.12817	13.2
117.05543	2.0
117.07042	1.6
119.08585	7.8
119.58495	1.2
121.10187	3.1
122.09650	1.2
123.04440	1.2
123.08071	1.2
123.11729	1.7
125.09650	5.7
126.09184	1.6
127.03918	4.1
129.05492	2.3
129.07027	1.8
131.08600	2.8
135.08057	2.6
135.11726	1.6
136.11246	2.5
137.09628	2.3
138.10443	1.8
138.12830	2.4
139.03932	1.2
142.12315	4.0
145.10123	2.3
147.08005	1.7
154.12268	5.6
155.13049	1.2
156.13840	2.2
164.10785	1.6
166.12326	4.4
173.11789	2.9
182.11861	4.0
182.15457	3.2
183.12531	8.2
184.13411	4.9
198.15024	3.2
208.13301	9.4
210.14915	5.7
212.21094	1.1
226.14517	5.3
228.16072	1.3
229.14360	12.2
239.23843	1.5
244.15439	1.3
256.15628	5.1
256.26456	1.6
257.16418	2.2
264.84296	1.3
267.16019	3.9
274.16629	1.4
282.17273	1.4
284.18835	1.4
286.31174	1.2
300.18066	6.6
313.27350	34.6
467.37439	6.1
484.40363	2.6
494.38483	2.6
495.39178	1.9
496.39844	1.7
505.38986	2.3
512.39752	3.8
513.40619	3.4
514.41229	3.5
530.40466	7.6
538.41333	3.3
540.42621	2.2
556.41931	10.8
574.43140	86.3
575.43512	2.5
692.46094	3.7
700.46442	1.6
718.47559	8.2
736.48450	100.0
737.48584	3.3
854.51062	1.5
880.52753	4.2
898.53668	58.8
899.54565	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	898.5369
Annotation	Unknow
Peak:m/z	Relative Intensity
63.64730	0.8
65.03925	1.0
67.05503	26.2
68.97435	0.9
69.03423	4.2
69.07067	13.6
69.34926	2.8
69.35352	4.3
71.01350	3.8
71.04995	2.4
71.08634	24.1
71.74082	0.8
73.02917	3.7
75.04462	0.9
75.49765	1.0
79.05012	1.4
79.05488	22.9
81.03420	28.0
81.07059	25.4
83.04982	14.8
83.08618	14.1
85.02906	13.5
85.06537	0.9
85.10187	12.9
89.06052	1.2
91.03982	4.8
91.05491	12.0
93.07049	16.4
95.04967	5.7
95.08607	26.7
96.04498	1.2
97.02895	14.6
97.06547	5.3
97.10162	12.1
99.04457	2.5
103.07587	1.4
105.04531	1.0
105.07047	5.7
107.04958	25.3
107.08595	12.9
109.02889	1.1
109.06510	1.9
109.10166	15.0
111.04431	8.8
111.08099	2.3
111.11723	1.2
115.05370	1.1
117.06993	5.1
119.08589	6.1
121.06492	2.9
121.10183	7.1
123.04448	1.0
123.08112	1.1
123.11712	3.4
125.06068	1.4
125.09637	6.9
125.13214	1.1
127.03928	3.3
127.59318	0.9
129.07014	2.9
131.04936	1.4
131.08589	4.3
133.10162	2.4
135.08015	2.1
135.11685	15.7
137.13200	0.9
139.03896	1.2
143.10725	1.4
145.04965	2.2
145.06412	1.0
145.10136	11.1
147.08069	2.0
147.11641	1.0
149.09628	1.3
151.14880	0.9
153.12740	21.0
155.08562	1.4
163.06055	2.4
163.11189	29.5
173.09665	5.4
173.11787	1.2
181.12239	11.7
184.07349	1.4
191.10693	18.2
199.13284	10.7
209.11699	16.5
211.73720	1.0
213.73402	0.8
217.07095	2.2
227.12787	27.4
229.14290	4.6
239.23752	4.4
257.24872	1.6
265.14377	18.0
267.15878	1.6
268.16412	1.2
283.15399	51.0
301.16476	3.8
313.27368	100.0
314.27750	2.5
326.48877	0.9
434.90488	0.9
437.36353	5.9
455.37286	4.2
462.78094	1.0
467.37363	19.3
503.37384	7.0
521.38300	11.5
539.39386	11.6
826.74658	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	898.5371
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03931	0.9
67.05505	18.8
69.03427	4.3
69.07069	8.4
69.94850	1.9
71.00082	0.6
71.01347	0.9
71.04983	1.8
71.08636	19.0
73.02928	5.0
78.19914	0.6
79.05501	14.7
79.52110	0.6
81.03423	8.9
81.07055	18.1
82.04191	2.3
83.04980	7.4
83.08622	11.4
84.02107	0.8
85.02427	1.2
85.02902	12.1
85.06508	0.9
85.10185	10.4
89.06061	0.9
91.03956	6.7
91.05480	8.6
93.07055	8.8
95.04961	6.6
95.08612	17.6
96.04565	0.7
97.02892	9.0
97.06539	4.5
97.10176	9.7
98.07310	3.1
98.21463	0.9
99.08102	1.4
101.05997	1.1
101.36863	0.6
103.07587	1.0
105.07034	4.8
107.04957	4.4
107.08613	5.7
108.78944	0.7
109.02906	1.2
109.06474	1.2
109.10165	8.0
111.04428	2.4
111.08075	2.2
114.48928	0.6
116.04720	8.8
117.07005	2.0
119.08604	4.7
121.06491	1.6
121.10136	3.1
121.64281	0.7
123.04424	1.0
123.08105	3.1
123.11707	2.4
125.05944	0.8
125.09644	7.8
127.03922	2.5
127.11208	1.1
129.05486	22.2
129.06946	1.2
131.08575	3.1
133.10139	3.2
135.08035	0.8
135.11700	3.7
137.09628	1.1
137.11516	0.7
143.07039	5.1
145.04971	3.0
145.10106	3.2
147.08040	1.2
147.11667	2.0
149.09619	1.2
153.09143	0.9
153.12721	2.2
157.08606	11.8
157.10104	2.4
158.05844	0.6
161.28719	0.8
163.06058	2.6
163.11169	4.3
164.11980	0.9
171.06531	1.3
171.10126	4.0
173.09621	1.4
173.11801	0.8
175.11209	2.5
181.12225	2.0
185.11748	1.1
187.11186	0.7
189.11296	5.7
191.10692	3.0
193.12263	2.9
199.13301	2.9
200.14091	1.8
209.11719	3.4
211.13350	1.3
227.12807	12.6
229.14319	1.4
237.40175	0.7
239.23708	3.1
255.15985	2.3
257.24872	1.3
265.14371	1.6
266.64566	0.7
267.16034	4.6
269.16843	0.8
283.15405	12.7
284.16217	0.7
301.16467	100.0
302.16919	0.7
313.27362	77.6
314.27698	2.1
367.28448	2.9
395.31503	2.1
438.37094	1.5
455.36945	0.9
467.37405	2.5
505.38748	4.6
521.38544	7.0
522.39014	2.0
539.39447	75.5
540.39777	2.2
706.12677	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	898.537
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05505	27.4
68.32088	0.9
69.03416	3.3
69.07070	12.0
69.85055	4.2
71.01341	3.0
71.04977	3.9
71.08633	27.5
73.02905	3.3
79.05492	22.7
81.03419	19.0
81.07059	28.3
83.01349	2.8
83.04984	14.5
83.08617	15.9
85.02908	19.4
85.06532	2.8
85.10184	17.3
86.09732	0.9
88.91750	0.8
89.06015	1.9
91.03953	9.1
91.05478	13.0
93.07043	25.7
95.04963	8.4
95.08611	30.4
97.02890	16.6
97.06538	5.5
97.10167	8.6
98.01254	0.7
99.04472	1.9
99.08053	1.6
101.64976	0.8
105.07037	5.8
107.04958	16.0
107.08591	17.3
109.02864	1.7
109.06535	3.8
109.10152	13.7
111.04434	10.8
111.08095	4.3
111.11697	1.9
117.07009	7.7
119.08572	10.5
121.06500	2.9
121.10147	13.1
123.08066	3.8
123.11732	4.4
125.05991	2.3
125.09603	2.7
127.03914	4.2
129.06979	2.0
130.07841	1.2
131.04930	1.5
131.08549	7.8
133.10126	3.4
135.08038	2.6
135.11688	18.6
137.09581	1.8
137.13245	1.7
143.08562	1.3
145.04939	4.1
145.06461	1.0
145.10127	18.1
147.08051	3.6
149.09610	4.2
153.12738	13.3
155.08534	3.3
163.05995	5.3
163.11179	32.8
165.09079	1.2
167.10719	1.0
173.09607	8.0
181.12250	9.6
187.17017	0.8
191.10651	15.3
209.11726	31.1
227.12772	15.7
230.33487	1.0
239.23640	3.9
255.15793	1.7
257.24713	1.2
265.14352	12.5
281.13724	1.0
283.15399	64.1
299.14828	1.3
301.16461	70.8
313.27362	100.0
314.27689	1.8
341.26920	1.1
445.20926	1.8
503.37344	9.5
521.38373	93.6
522.38550	1.7
539.39423	98.1
540.39612	1.7
557.40216	1.0
671.05225	1.0
683.43188	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	896.5212
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03928	0.4
67.05503	8.9
68.57019	0.2
69.03418	1.6
69.07069	4.5
69.23341	0.9
69.23768	0.9
71.01320	0.7
71.04964	0.5
71.08629	10.9
73.02917	2.5
79.05494	2.9
80.65515	0.3
81.03417	1.9
81.07054	11.2
83.04995	1.1
83.08617	8.0
85.02903	7.4
85.06499	0.8
85.10181	6.5
87.04428	0.2
89.05998	0.6
91.03429	0.3
91.03947	4.1
91.05479	7.9
93.07043	6.0
95.04970	1.7
95.08604	9.1
96.04468	0.3
97.02897	5.3
97.06519	1.6
97.10170	2.5
99.00811	7.1
99.04421	0.6
101.02355	0.5
103.05456	0.6
103.07542	0.7
105.07027	5.4
107.04953	2.7
107.08599	2.9
109.02879	4.8
109.06495	1.1
109.10151	6.2
111.04398	0.9
111.08092	1.6
111.11674	0.7
113.05989	0.4
113.86332	0.2
115.03925	2.0
115.05483	0.2
117.07039	1.0
117.09119	0.2
119.04903	0.3
119.07806	0.3
119.08572	4.0
121.06503	3.8
121.10115	0.5
123.04398	0.9
123.08017	0.4
123.10950	0.2
123.11707	2.6
124.54132	0.2
125.13231	0.2
127.03912	2.8
128.06189	0.6
129.06949	0.5
131.08522	0.6
133.06447	0.7
133.10130	17.8
134.96605	0.3
135.07965	0.3
135.11646	0.8
137.05894	0.6
137.09540	0.5
137.13216	0.5
139.07513	1.5
143.08563	2.7
145.04930	2.4
145.06413	0.3
145.10181	0.2
145.12160	0.2
147.08023	0.6
151.11186	5.9
153.06969	0.3
161.09613	10.3
163.05997	2.5
163.11130	0.4
165.09128	0.3
171.08040	2.4
173.15260	0.2
179.10664	6.4
180.08528	0.2
180.13855	0.2
189.07419	0.3
189.09105	5.4
197.11726	2.3
197.73489	0.2
207.10152	1.9
216.00406	0.2
225.11214	6.4
239.23672	1.1
243.12338	1.6
257.24716	1.4
281.13840	3.8
298.27396	0.2
299.14880	100.0
300.15158	1.1
311.25693	0.3
313.27356	77.1
314.27722	0.6
537.37860	54.7
538.38007	1.2
723.39008	0.5
724.39514	1.9
896.50732	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	893.487
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05504	4.7
67.94926	0.5
68.34414	0.5
69.03427	2.3
69.07079	2.7
69.47335	0.5
69.75371	0.6
71.04991	1.2
71.38056	1.0
72.08142	0.6
73.02925	3.1
77.44272	0.5
79.05500	4.0
81.03429	3.0
81.07074	3.5
83.05000	0.8
83.08637	1.0
85.02916	4.2
86.09730	2.0
89.27734	0.5
91.03979	2.5
91.05487	3.1
93.07064	3.4
95.04981	1.8
95.08616	2.0
97.02896	3.7
97.06531	2.4
98.09708	0.7
99.04453	1.2
101.02402	2.1
103.03960	0.6
105.07068	2.1
107.04958	0.9
107.08619	2.6
109.02871	0.8
109.06514	0.9
109.10188	2.1
109.86270	0.5
117.07043	1.1
118.84155	0.5
119.08581	1.4
121.06512	1.1
121.10149	1.1
125.00031	0.7
125.09698	0.8
127.03899	1.3
129.05507	1.1
131.08626	0.7
133.10185	1.0
134.16640	0.5
135.08047	0.6
135.11740	1.4
143.08609	0.6
145.10146	1.0
159.11740	1.0
171.11716	0.5
177.12737	0.7
181.12411	0.6
184.07341	4.2
185.04279	1.2
196.61618	0.5
203.05273	0.7
221.11699	0.9
223.13345	0.5
243.08466	3.2
284.44293	0.5
301.08948	5.4
315.10471	1.9
333.20343	1.1
349.19852	6.1
357.15408	0.6
365.22644	0.7
369.15256	1.3
373.07056	0.6
373.11246	2.4
385.18274	2.8
389.23111	1.5
393.91092	0.6
405.22479	1.1
413.17892	1.1
429.17493	2.2
439.19595	5.5
447.23703	1.7
453.21005	1.4
469.20529	1.5
481.20377	3.8
493.24152	1.7
513.27563	0.7
531.32941	0.7
541.22266	2.5
551.28613	6.2
567.27905	5.4
577.34149	0.7
583.30200	1.2
590.51422	0.7
609.28998	0.8
623.30182	1.5
625.31958	1.1
626.29169	0.7
639.30023	3.6
667.32727	1.3
679.35028	0.8
681.34210	1.1
709.37292	1.0
731.47424	0.7
739.38904	1.3
749.40955	9.3
765.40228	2.0
791.40930	2.6
807.41296	16.1
847.44635	1.2
875.47772	4.0
876.48346	0.7
893.49091	100.0
894.48749	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	893.4872
Annotation	Unknow
Peak:m/z	Relative Intensity
64.71588	0.3
67.05383	5.4
67.05780	1.2
69.03303	1.8
69.06938	2.0
69.07355	0.7
69.85502	1.7
71.01259	0.6
71.04906	0.6
73.02785	2.7
79.05357	2.6
80.05734	0.5
81.03280	1.7
81.06921	3.3
83.04870	0.7
83.08479	1.1
83.08917	0.4
85.02769	3.6
85.03316	0.8
85.06449	0.5
86.09573	0.9
87.04359	0.6
91.03808	2.3
91.05341	2.4
93.06899	2.0
93.23648	0.4
95.04848	1.1
95.08465	2.0
95.73784	0.4
97.02737	3.5
97.06432	0.5
97.09996	0.7
98.20789	0.4
99.04313	0.7
101.02222	1.3
101.02834	0.5
103.03863	0.5
105.06888	1.8
107.04879	0.6
107.08478	0.8
109.02786	0.8
109.09998	5.3
111.07962	0.5
116.58604	0.4
119.08416	1.8
121.10010	0.9
124.99882	0.4
127.03733	1.4
129.05362	0.4
131.08429	0.8
133.09985	0.6
135.11549	0.5
137.09540	0.5
144.07722	0.4
147.11589	0.5
150.62160	0.4
156.88824	0.4
167.57362	0.4
173.11566	1.6
184.07372	2.9
185.03958	1.1
195.09842	0.9
207.02211	0.4
217.21042	0.4
218.25916	0.4
229.14169	1.6
230.07256	0.4
242.53094	0.5
243.08401	3.6
251.12292	0.4
301.08929	3.3
315.10458	0.7
333.20270	3.5
373.11008	1.0
385.18185	1.9
389.22946	0.6
413.17831	10.9
439.19547	1.1
453.20615	0.9
469.20337	1.5
477.24463	1.0
499.21878	0.6
513.26978	0.5
515.33533	0.6
541.22528	5.9
551.28357	8.2
561.34290	0.6
583.28485	0.7
610.29230	0.7
611.30560	0.6
623.30420	2.2
625.31818	3.6
637.31891	0.6
651.33282	0.5
653.21667	0.5
655.32080	0.7
665.35168	0.9
679.37494	0.6
705.37732	0.5
707.40448	0.7
721.37659	1.4
722.38080	0.5
723.39233	100.0
724.39807	2.5
737.39496	0.4
749.40216	1.1
751.42371	3.4
779.41907	3.8
795.41351	0.5
807.41504	0.5
893.48474	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	891.4707
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05506	10.9
68.05872	0.5
69.03430	3.2
69.07077	3.7
70.01886	1.3
71.01370	0.5
71.05024	0.8
73.02928	2.1
75.24608	0.4
79.05502	2.8
81.03414	3.0
81.07063	5.5
82.07424	0.6
83.05019	1.0
83.08619	2.1
85.02904	3.4
85.06568	0.4
87.04475	0.7
91.03963	2.3
91.05495	3.5
92.05860	0.5
93.07036	3.4
95.05033	1.6
95.08590	1.9
97.02896	3.6
97.06618	0.5
97.10233	1.7
98.21460	0.5
101.02434	1.4
104.82008	0.4
105.07055	2.1
106.34156	0.5
107.05006	0.9
107.08600	2.9
109.02934	0.5
109.06590	0.7
109.10152	7.7
110.10559	0.7
111.08119	0.9
117.07073	0.9
119.08594	2.1
121.10226	1.6
123.08156	0.6
123.11761	0.5
125.09695	1.6
127.03914	0.9
129.05539	0.6
131.08630	0.6
133.10193	1.6
135.11720	1.0
137.09688	1.2
145.04971	0.5
145.10214	1.2
147.08128	0.4
147.11749	0.8
149.13353	1.2
153.09174	0.5
155.10747	0.9
157.10168	0.6
159.11761	1.0
163.11246	0.8
173.11760	2.5
185.04277	1.4
189.94930	0.4
195.10056	1.2
201.03851	0.5
203.05322	0.6
223.13347	1.2
227.12715	0.6
229.14302	3.7
230.14777	0.8
243.08395	3.4
269.17648	1.3
275.20261	0.8
291.19672	1.0
301.08990	2.4
322.06909	0.5
331.18878	2.8
349.23993	0.4
350.24329	0.7
369.15298	0.6
370.14441	0.4
373.10977	0.5
385.18542	1.5
387.21497	0.5
398.71548	0.5
400.30453	0.5
413.17841	11.5
423.27512	1.3
424.27829	0.6
429.17572	0.7
429.22888	0.7
455.19287	0.6
469.21075	0.6
475.23221	0.5
479.19382	0.4
513.32898	0.5
539.20911	4.0
549.26715	8.5
583.27411	0.7
596.38959	1.8
621.29120	1.8
623.30341	4.3
635.30627	0.8
653.31616	2.7
691.37323	0.6
702.88135	0.4
721.37671	100.0
722.37567	3.1
747.39270	1.0
749.40814	3.3
753.33655	0.5
777.40704	2.9
805.42834	0.5
891.47229	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	889.513
Annotation	Unknow
Peak:m/z	Relative Intensity
62.30946	0.4
67.05503	2.8
69.03432	3.5
69.07068	0.9
71.04989	2.0
71.08634	1.0
71.52399	0.5
71.54610	0.4
73.02921	3.6
79.05500	0.9
79.23965	0.4
81.03420	1.0
81.07059	1.7
85.02901	5.7
85.10212	0.8
91.03954	3.6
91.05483	0.7
93.07062	1.3
95.08614	1.1
97.02885	5.2
97.06549	0.5
99.04472	1.3
101.02383	1.9
102.40591	0.4
105.98450	0.5
107.08614	0.7
109.02877	0.6
109.10168	2.7
119.08598	0.7
121.58874	0.5
127.03937	1.2
135.11716	1.1
137.09644	1.1
150.56395	0.5
150.98994	0.4
160.11311	0.6
173.11699	0.6
179.68102	0.5
185.04294	1.0
203.05302	1.0
229.14296	0.5
241.09312	0.5
241.93729	0.5
243.08472	1.6
253.14160	1.4
313.27496	0.9
347.09637	2.2
405.13803	6.2
405.18817	0.8
439.19690	0.8
452.74667	0.5
471.22070	8.6
497.30786	5.1
606.90955	0.5
633.27386	8.7
659.36066	4.6
727.45929	2.3
889.51270	100.0
890.51788	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	891.471
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05384	6.8
67.05782	1.8
67.90264	0.7
69.03337	1.5
69.03663	0.8
69.06979	1.4
70.56560	2.3
73.02795	2.8
78.58076	0.7
79.05388	1.6
81.03314	1.6
81.06917	3.4
83.04852	1.0
85.02782	4.1
87.04362	0.9
91.03805	2.4
91.05337	3.0
93.06955	1.5
95.08459	2.7
97.02747	4.6
101.02244	2.0
105.06871	2.5
107.08482	0.9
109.02765	0.7
109.09988	6.4
119.08464	1.5
127.03799	1.9
129.05302	0.9
131.08463	0.7
133.10016	1.7
157.09900	0.7
163.10982	0.8
173.11710	1.6
185.04028	2.2
193.12102	0.8
229.14119	1.8
243.08464	3.5
251.12305	1.0
261.10840	1.0
264.21552	0.8
293.20621	0.9
301.08679	2.9
313.17599	1.9
315.10400	0.9
331.18872	4.3
357.15240	1.1
373.10458	0.9
385.18304	1.8
387.21216	1.3
413.17804	16.2
429.17163	2.1
431.95377	0.7
451.19662	1.4
455.18893	1.9
469.20401	1.7
485.19968	1.9
513.26263	1.1
531.25952	3.4
539.20880	2.9
539.28290	1.1
549.26508	4.3
621.28827	1.8
623.30450	3.3
633.02277	0.8
653.31409	1.4
653.54272	0.8
703.36707	7.7
721.37671	100.0
722.38318	2.1
747.38300	1.2
749.41400	5.7
759.39539	1.0
777.40338	3.1
873.46509	1.1
891.47272	24.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	888.5318
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03931	4.6
67.05509	100.0
69.03436	9.7
69.07070	26.9
71.01345	3.2
71.04997	7.1
71.52553	1.4
73.02920	3.3
79.05499	53.8
81.03427	19.5
81.07063	77.8
83.04984	15.9
83.08218	1.5
83.08628	16.8
84.72682	1.1
85.02908	12.5
85.06551	5.7
86.09721	1.3
87.04456	4.4
91.05486	41.8
93.07050	49.4
95.04975	11.4
95.08612	29.9
97.02886	7.1
97.06535	15.8
97.10181	12.7
99.04421	2.6
99.08074	3.8
103.03917	1.5
105.04510	2.0
105.07040	32.0
107.04944	10.1
107.08601	35.5
109.02871	1.3
109.06519	8.5
109.10165	66.0
110.06010	2.0
111.04447	3.7
111.08096	8.3
115.05453	2.2
117.07025	15.2
119.04905	1.6
119.08590	26.7
121.06496	5.4
121.09422	1.7
121.10162	15.5
123.08058	4.8
123.11724	4.0
125.09646	13.5
127.03914	4.1
129.05496	4.7
129.07022	6.5
131.08562	16.0
133.06490	2.6
133.10149	19.1
135.08060	5.7
135.11690	16.1
137.09619	5.4
139.11127	1.3
141.06938	2.0
142.07813	1.4
143.08536	3.7
143.10689	2.7
145.06496	1.3
145.10149	14.5
147.08075	3.4
147.11674	10.0
149.06001	1.5
149.09610	8.4
149.13269	12.1
151.11128	3.1
151.80591	1.2
153.09082	1.8
153.12717	2.9
155.08559	2.7
155.10641	4.7
157.08757	1.5
157.10114	3.6
159.11684	10.6
161.09711	1.5
161.13246	1.9
163.11177	14.0
165.12784	3.1
169.10124	2.2
171.11678	2.4
173.04492	2.9
173.09599	2.1
173.10098	1.7
173.11754	18.1
173.13260	3.0
175.11205	2.5
177.12729	4.7
179.14357	3.0
181.12253	4.0
183.11726	1.9
184.07350	1.9
187.14854	1.5
189.11269	2.6
191.10648	3.1
193.12224	5.4
195.13799	7.4
197.13339	1.4
199.13316	7.3
201.12721	1.3
208.13316	2.4
209.11771	7.9
211.13261	2.9
217.14305	1.5
227.12773	9.3
229.12105	2.7
229.14366	49.0
247.20625	2.2
249.14790	1.5
251.16489	1.5
253.14333	2.7
255.15897	11.7
257.13785	1.8
257.19141	6.1
261.14871	1.6
265.14285	2.0
267.15997	6.6
269.14737	1.2
269.17459	37.1
271.15414	1.6
275.20074	21.4
283.15408	5.2
291.19495	2.0
293.20767	1.9
301.16473	11.8
303.16049	1.2
331.22598	1.4
349.23758	17.7
367.24832	5.1
393.26285	1.5
399.19202	1.9
399.23828	19.4
409.25900	9.7
411.27100	2.5
413.21744	1.5
423.27438	35.7
477.28421	3.5
479.88306	1.4
481.27856	1.7
495.29483	8.0
503.33759	9.4
513.30786	1.4
521.34827	3.2
529.39465	1.5
564.42621	1.9
575.35559	2.2
579.35504	5.8
593.36877	39.9
673.42987	4.9
691.43817	4.9
888.50177	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	888.5317
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03930	4.3
67.05508	100.0
69.03135	0.8
69.03429	8.9
69.07070	26.7
69.87766	2.0
69.88181	2.4
71.01343	1.6
71.05007	5.6
73.02905	3.7
77.03947	1.2
79.05495	43.9
81.03419	18.3
81.07058	67.4
83.04984	15.0
83.08157	1.0
83.08624	16.0
85.02907	11.0
85.06544	5.4
87.04457	2.8
91.03952	1.0
91.04904	1.4
91.05482	40.5
93.07047	44.2
95.04968	13.3
95.08609	30.0
97.02895	7.3
97.06533	14.0
97.10177	13.6
99.04451	2.4
99.08108	2.1
103.03960	1.4
103.05474	2.0
105.04518	2.1
105.07031	26.8
107.04968	10.3
107.07877	1.4
107.08600	28.8
109.02866	1.8
109.06493	6.5
109.10157	55.5
111.04439	3.1
111.08084	8.5
113.06047	1.1
115.05448	2.2
116.04807	1.1
117.07021	13.7
119.04938	0.9
119.08588	24.0
121.06557	4.5
121.10146	13.9
123.08094	6.0
123.11691	2.3
125.09644	15.9
127.03918	2.8
127.11267	0.9
128.06221	1.6
129.05481	3.5
129.07016	5.9
129.97264	0.8
131.04884	1.3
131.08566	13.0
133.06514	2.1
133.09131	0.9
133.10133	17.6
135.08058	4.6
135.11685	14.1
137.09608	5.3
139.11128	1.4
141.06964	2.2
143.08595	3.8
143.10649	2.1
145.06485	1.6
145.10144	13.1
147.08038	2.5
147.11694	9.4
149.09618	11.3
149.12398	0.7
149.13266	8.7
151.11201	2.6
153.09073	1.0
153.12688	2.6
155.08517	1.9
155.10660	4.6
157.08881	0.8
157.10109	5.5
159.08076	1.2
159.11700	10.2
161.09586	1.2
161.13264	3.2
163.11163	11.1
165.09100	1.4
165.12813	1.4
169.10097	1.6
171.10225	1.9
171.11707	2.8
173.04387	2.0
173.09654	1.9
173.11723	12.9
173.13272	3.9
175.11185	3.3
177.12749	4.7
179.14285	2.4
181.12247	3.9
183.11743	1.8
184.07352	0.9
185.13258	1.7
187.11168	1.7
187.14841	0.9
189.11195	3.8
191.10602	2.9
193.12231	3.6
194.35941	0.7
195.13846	4.4
197.13326	1.0
199.13283	6.2
209.11702	5.3
211.13255	2.3
211.15027	1.1
217.14372	1.5
227.12750	11.9
229.14348	40.8
229.19371	1.4
231.17336	0.9
235.16917	0.9
239.18102	1.7
247.20557	1.3
249.14885	1.0
251.16483	1.7
253.14285	1.2
254.51572	0.8
255.15915	9.2
257.13748	1.3
257.19119	6.0
265.14276	1.9
267.15958	6.1
269.17490	22.3
273.18469	1.7
275.20065	22.2
277.65714	0.9
283.15344	3.7
291.19577	2.8
293.17722	0.9
293.21048	2.7
301.16516	9.6
321.24261	1.6
331.22635	1.0
337.27328	0.9
349.23730	21.9
365.23218	1.6
367.24701	3.2
377.88052	0.9
393.26001	0.9
399.23807	16.1
406.48914	0.8
407.28021	1.3
409.25940	8.7
411.27429	1.5
413.21606	1.8
423.27405	20.5
435.28113	1.0
447.27115	1.0
461.28763	1.4
477.28287	2.7
481.28152	1.1
488.95618	0.8
491.33292	1.4
495.29507	5.4
503.33606	9.6
513.29913	1.0
521.34546	2.2
541.35297	1.0
573.33838	1.4
575.35187	2.2
579.35400	4.8
593.36896	29.0
673.43573	5.5
691.43945	4.9
737.40515	1.4
829.87756	0.9
888.50024	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	888.531
Annotation	Unknow
Peak:m/z	Relative Intensity
62.70334	1.6
63.62301	1.6
65.03937	5.8
67.05510	100.0
69.03434	17.5
69.07072	81.7
70.02463	3.4
70.02861	3.3
70.06593	18.5
71.01340	3.3
71.04999	24.1
72.08144	5.5
72.65712	1.2
73.02921	7.5
77.03917	1.8
79.05499	79.4
81.03426	28.8
81.07062	92.4
83.04987	16.2
83.08633	18.6
84.04497	5.1
85.02913	12.6
85.06538	6.8
86.09219	2.6
86.09712	32.1
87.05629	1.7
91.05486	77.1
93.07051	62.6
95.04977	24.7
95.08610	42.0
97.02887	12.2
97.06537	76.6
97.10177	12.2
98.21526	2.6
99.04445	2.9
99.08105	6.1
103.05473	2.4
105.04529	3.6
105.07040	44.6
107.04958	14.4
107.08604	40.8
109.02879	4.4
109.06538	18.4
109.10166	23.3
111.04470	3.5
111.08078	10.4
113.06025	3.2
113.09660	2.4
115.05450	3.6
115.07584	23.1
117.07034	26.4
119.04906	2.0
119.08591	38.5
120.08115	7.3
121.06510	11.6
121.10154	19.1
123.04420	4.3
123.08129	9.3
123.11707	6.4
125.06033	1.8
125.09622	13.1
127.03915	6.7
128.06227	4.0
129.05478	4.8
129.06992	13.0
130.06561	2.4
131.08575	26.8
133.06471	5.3
133.10143	29.3
135.08084	12.5
135.11708	15.6
136.07565	5.6
137.09641	10.9
139.07558	4.1
139.11235	2.4
141.07007	3.9
141.09276	1.5
141.10229	7.2
142.07787	3.5
143.08594	10.3
145.06497	2.7
145.10132	21.7
147.08005	5.3
147.11699	15.6
149.09628	22.3
149.13242	10.1
151.11191	4.7
154.07782	2.0
155.08488	4.9
157.08900	1.9
157.10112	9.1
159.08092	2.8
159.09166	5.9
159.11734	17.1
161.09584	7.4
161.12137	1.4
161.13280	7.3
163.03908	1.8
163.11197	10.9
165.06953	1.6
165.09143	2.1
165.12755	2.2
167.08588	2.0
168.09444	1.7
169.09784	9.4
169.12195	1.8
171.06596	1.6
171.10371	2.8
171.11705	8.0
173.04456	3.6
173.09537	3.6
173.11749	7.2
173.13289	9.9
175.11189	5.2
177.12726	10.3
179.14313	5.2
181.10046	2.6
181.12245	3.0
182.64694	1.4
183.11693	4.8
184.07298	2.7
185.13289	4.6
187.11157	3.6
187.14877	3.1
189.11263	8.1
189.12698	1.8
191.14162	2.5
193.12308	1.9
195.11813	1.4
195.13797	6.5
197.13246	3.3
199.11224	2.3
199.13223	2.2
203.14349	2.1
205.12218	2.7
207.13837	1.5
213.16060	1.5
215.14372	2.2
217.15849	3.1
221.15347	2.5
227.12749	6.6
227.17883	2.3
229.14288	9.3
229.19472	1.7
237.14597	1.7
239.17891	2.4
243.15892	2.9
245.18988	2.3
247.20587	2.2
253.14322	3.6
253.18188	2.0
255.15977	5.5
257.19016	5.2
267.15955	3.3
269.17526	19.0
273.18579	15.5
275.20093	27.0
275.22879	3.0
282.18066	2.6
291.19537	15.2
347.22079	5.7
349.23825	21.6
365.23358	6.3
383.24518	2.4
423.27350	6.7
449.28973	3.2
463.30469	6.4
503.33569	2.8
527.34155	2.1
529.35120	2.5
543.36749	16.5
559.36414	2.8
639.42755	4.4
657.43610	2.2
863.32037	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	886.5155
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03928	2.4
67.05506	58.5
69.03083	0.8
69.03428	8.9
69.07069	23.8
70.36975	0.6
70.37311	1.5
70.99530	0.5
71.01327	0.7
71.04993	3.2
71.08628	0.7
73.02906	0.7
77.33433	0.4
79.05494	23.5
81.03419	10.2
81.07056	29.7
83.04974	6.8
83.08149	0.9
83.08619	11.7
84.08131	0.7
84.98483	0.5
85.02898	6.2
85.06522	2.9
87.04462	1.8
88.66644	0.5
91.03931	0.7
91.05486	18.9
93.06487	1.1
93.07046	17.4
93.07638	1.0
94.04207	0.6
95.01279	0.8
95.04979	7.4
95.08607	13.1
97.02286	0.8
97.02892	9.8
97.06544	4.5
97.10172	14.8
99.04495	0.7
99.08092	0.7
103.05424	0.9
105.04500	0.8
105.07032	14.1
107.04964	7.9
107.08595	15.4
109.06516	2.9
109.10159	37.6
111.04465	1.3
111.08070	3.2
115.05425	1.6
116.06163	0.6
117.07023	6.1
119.04967	1.0
119.07808	1.0
119.08582	12.9
121.06520	3.7
121.10153	5.6
123.04421	0.7
123.08054	4.3
123.11676	1.4
125.09625	13.5
128.06198	0.9
129.05472	2.4
129.07019	3.7
130.07744	1.2
130.08626	1.2
131.08562	7.7
133.06549	2.6
133.10130	8.2
134.69261	0.6
135.08063	3.3
135.11705	3.9
137.05965	0.6
137.09633	3.5
141.07010	0.6
142.07803	0.9
143.08574	2.5
143.10667	1.3
145.06494	1.2
145.10155	5.8
147.08060	5.2
147.11696	2.8
149.09631	2.9
149.13258	1.7
151.11214	2.9
153.09129	1.3
153.12749	1.7
155.08524	0.9
155.10635	2.3
157.08727	1.0
157.10115	2.5
159.08122	0.8
159.11705	1.9
161.09657	2.8
161.13342	0.6
163.11154	5.2
165.09105	1.4
169.10216	0.9
169.12251	1.0
171.10168	1.0
171.11655	1.1
173.09601	1.9
173.11736	10.3
173.13179	0.9
175.11168	2.0
177.12759	1.6
179.10597	1.0
181.12213	1.2
183.11626	0.7
185.13290	0.7
187.14905	0.6
189.11240	3.5
191.10651	2.2
193.12207	1.8
195.13857	1.4
199.13292	4.6
201.12570	0.6
205.12219	1.8
209.11731	4.1
211.13286	1.3
223.13297	18.1
227.12782	7.5
229.14343	30.7
237.16344	0.7
245.18982	1.6
249.01164	0.6
249.14899	2.8
253.14404	4.6
255.17448	1.6
263.16364	0.6
263.20078	0.7
265.14340	0.9
267.15887	3.0
271.15338	0.8
273.18484	13.2
275.20239	0.7
283.15393	3.2
291.19540	100.0
292.19873	0.9
301.16458	7.8
313.27240	1.0
347.22131	1.6
365.23227	42.1
399.23788	12.0
399.28848	1.0
425.25491	1.3
489.31738	2.1
501.32321	0.9
507.33020	2.8
519.33209	31.9
557.34723	1.4
573.34094	1.8
591.35272	7.3
609.36090	1.9
689.42712	13.9
886.55170	1.7
900.45105	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	886.5154
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03941	3.4
67.05508	87.4
69.03435	5.1
69.07072	15.4
71.04980	5.8
73.02909	3.2
74.79669	1.3
75.24222	1.3
79.05498	36.7
81.03428	14.7
81.07060	59.2
83.04980	15.5
83.08634	9.9
83.98940	1.7
85.02908	8.6
85.06537	8.0
87.04469	4.7
91.03990	1.4
91.05486	53.8
93.07047	31.3
95.04958	12.4
95.08613	21.1
97.02879	2.6
97.06536	6.6
97.10171	9.1
105.04573	1.6
105.06313	1.6
105.07034	39.9
107.04967	6.8
107.08604	35.8
109.06509	9.2
109.10159	72.9
110.10511	1.5
111.04436	2.3
111.08092	4.7
113.05999	3.2
115.05482	1.7
117.07024	5.4
119.08591	13.4
121.06539	6.7
121.10165	7.5
123.08067	4.5
123.11707	8.6
125.09650	11.5
127.77312	1.5
128.06242	1.5
129.05504	3.0
129.07008	3.7
131.08569	10.6
131.86452	1.3
133.06494	3.8
133.10138	54.3
135.08069	6.6
135.11725	6.8
137.09628	3.7
142.07767	1.3
143.08553	3.7
143.10733	1.7
145.10123	7.1
147.08025	3.8
147.11714	4.6
148.61520	1.4
149.09613	6.2
151.11185	28.8
155.10602	2.0
157.10149	2.2
159.08090	1.8
159.11719	3.5
161.09590	5.3
161.13222	2.9
163.11201	7.5
165.09135	1.9
169.10199	1.4
169.12241	5.9
171.11806	2.2
173.09550	1.8
173.11765	9.5
175.11209	3.2
177.09204	2.7
179.10699	1.8
181.12260	2.8
184.07463	1.5
189.12807	2.0
191.10669	2.1
193.12312	2.2
199.13321	3.5
209.11760	3.9
215.12788	4.1
227.12807	3.4
227.17903	3.3
229.14342	28.0
237.16605	1.6
245.18938	1.6
251.12737	2.9
253.14371	100.0
255.17601	2.4
255.55785	1.3
263.20096	2.8
267.16010	1.7
271.15344	2.6
273.18515	20.3
283.15353	2.4
291.19571	18.6
301.16321	4.7
309.20630	2.0
329.21100	2.0
347.22229	6.5
365.23236	24.0
395.24164	2.8
399.23782	18.7
423.23654	2.6
425.25452	15.8
479.25864	2.0
489.32401	1.7
497.27438	5.8
501.31958	1.6
519.33185	17.4
554.47339	1.3
573.34320	1.6
591.35266	3.6
595.34552	3.1
689.32031	1.9
689.42688	26.6
707.55603	1.4
886.47913	2.3
887.49207	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	885.4815
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05504	1.2
69.03435	2.6
69.07074	0.5
69.67038	1.8
71.01350	0.3
71.04990	0.5
71.08634	1.6
73.02915	3.1
79.05503	0.8
81.03421	1.6
81.07051	1.6
83.05013	0.5
83.08634	1.1
85.02901	4.2
85.03383	0.4
85.10211	0.9
87.04497	0.4
91.03959	3.0
91.05457	0.4
93.07044	1.3
94.79718	0.3
95.08613	2.9
97.02899	4.3
97.06575	0.3
97.10187	0.5
99.04456	0.7
101.02379	1.3
107.04973	0.4
107.08611	1.0
109.02869	0.5
109.10183	1.3
117.07065	0.4
121.10181	0.8
123.11726	0.3
126.69293	0.3
127.03945	1.1
135.11682	2.3
145.10159	1.3
163.11183	2.7
166.25166	0.3
181.12277	0.7
185.04306	0.8
203.05455	0.3
219.09985	0.4
227.12785	3.0
239.23834	0.5
243.08447	2.0
249.10986	7.4
259.08029	0.3
302.17111	0.3
305.13525	2.1
313.27554	0.9
347.09518	2.4
365.10837	1.0
405.13702	5.5
405.18588	0.5
421.76636	0.3
467.18930	12.6
467.37579	0.4
497.30865	5.9
524.40045	0.5
525.40765	0.6
526.41260	0.4
561.37610	0.5
567.44818	0.3
626.93469	0.3
629.24146	8.5
659.36133	6.1
723.42914	4.1
885.48102	100.0
886.48370	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	884.5577
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03939	0.8
67.05505	42.7
69.03417	1.8
69.07069	6.2
69.85445	1.3
69.85796	0.5
71.04993	12.8
71.08633	16.7
73.02930	2.2
79.05492	5.1
81.03423	1.4
81.07056	14.7
83.04987	2.1
83.08618	9.0
85.02909	7.0
85.06540	2.2
85.10183	8.7
85.10666	0.6
87.04475	0.6
89.06025	0.3
91.03949	5.1
91.05481	5.6
93.07047	5.7
95.04971	1.2
95.08607	17.3
96.04479	0.4
97.02888	4.4
97.06542	1.6
97.10172	3.9
99.04458	0.5
99.08114	0.9
99.11761	0.8
105.07043	0.6
107.08592	3.7
109.02930	0.4
109.06573	0.6
109.10155	47.4
111.08087	1.4
111.11723	1.0
113.13330	0.5
115.03925	0.3
117.07042	0.7
119.08580	6.9
121.10111	1.8
123.11692	3.4
125.13227	0.5
127.03904	2.4
133.10165	0.5
135.11696	6.8
137.09610	6.9
137.10599	0.5
137.13255	1.4
144.06580	0.5
145.04965	2.1
145.10139	2.0
151.14880	0.4
155.10689	2.3
163.06001	2.8
163.11153	2.0
169.12231	1.0
173.11740	7.9
181.12260	1.2
184.07306	0.5
187.13292	0.5
211.13284	0.7
229.14339	0.5
239.23723	2.5
242.07619	0.3
243.15889	1.5
251.01085	0.3
255.15909	4.0
257.24786	0.5
269.17755	0.4
287.18530	15.6
292.58246	0.3
298.65701	0.3
313.27365	14.4
336.93268	0.3
339.29297	0.3
341.27002	0.4
369.95477	0.3
431.22775	0.9
467.37329	70.6
468.37802	1.3
481.38907	2.2
493.38950	5.4
495.40399	0.4
525.41510	100.0
526.41858	2.3
632.59778	0.3
637.42535	0.4
669.45544	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	882.5422
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03915	0.6
67.05507	17.1
69.03429	2.8
69.06740	0.4
69.07065	6.9
71.04990	2.3
71.08634	16.2
71.52451	0.6
73.02921	2.0
79.05493	11.2
81.03419	33.4
81.07058	20.6
83.04984	8.1
83.08620	17.5
85.02906	21.7
85.03432	0.6
85.06515	1.9
85.10184	10.6
87.04437	1.0
87.36962	0.4
89.06012	0.8
91.03957	6.6
91.05482	15.0
93.07043	9.2
95.04395	0.7
95.04973	12.0
95.08608	15.4
97.02882	7.3
97.06507	1.9
97.10171	4.7
99.08113	0.7
99.11746	0.5
103.07574	0.6
105.07029	11.5
107.04964	3.5
107.08586	3.7
109.02869	0.4
109.06516	2.7
109.09471	0.5
109.10154	7.7
111.04405	1.5
111.08084	6.0
113.05968	1.5
115.05449	0.7
117.06975	0.9
119.04930	0.6
119.08583	11.3
121.06471	1.0
121.10139	6.0
123.08038	1.2
123.11704	3.8
125.09610	1.1
127.03873	2.7
127.04670	0.4
127.07455	0.5
129.07001	5.9
131.08566	6.9
133.06483	1.9
133.10129	6.8
135.11702	0.7
137.09625	1.0
137.13257	0.9
142.07771	1.0
145.04958	2.9
145.10098	1.2
147.08000	1.4
147.10497	0.7
147.11685	10.3
149.09634	4.4
151.11258	0.6
151.14859	0.4
157.10132	9.3
163.06035	3.0
163.11137	0.8
165.12758	2.1
175.11185	10.2
184.07364	1.3
193.12244	26.5
211.13290	40.2
212.13779	0.4
239.23692	1.7
252.43286	0.4
255.58177	0.4
257.24844	1.2
267.15915	19.9
283.15207	0.5
285.16971	59.3
291.19693	0.4
313.27368	65.1
314.27698	1.4
465.35995	0.9
466.82596	0.4
505.38901	16.3
523.39954	100.0
524.40363	1.8
547.40100	0.4
640.34393	0.5
756.06671	0.5
828.32086	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	882.5417
Annotation	Unknow
Peak:m/z	Relative Intensity
61.76333	0.3
63.86438	0.2
65.03935	0.4
65.74400	0.3
67.05507	8.5
69.03426	1.8
69.07068	4.5
69.87994	0.3
70.19476	0.6
70.19847	1.0
71.04990	1.3
71.08636	9.6
73.02932	1.4
78.39296	0.3
79.05490	5.8
81.03416	21.8
81.07056	12.6
81.07468	0.2
83.04989	4.0
83.08620	12.6
85.02906	12.2
85.06554	0.5
85.10185	6.1
87.04464	0.6
89.06098	0.3
91.03965	2.4
91.05482	6.6
91.06024	0.6
93.07039	4.6
95.04975	9.0
95.08608	11.3
97.02882	3.7
97.06541	1.0
97.10165	2.9
99.04457	0.8
99.08117	0.3
99.11720	0.7
103.07595	0.3
105.07035	5.2
107.04939	1.8
107.08603	3.0
109.06548	1.1
109.10169	4.3
111.04429	1.0
111.08080	4.4
111.08804	0.5
111.11740	0.4
113.06002	0.6
115.05465	0.3
116.06195	0.3
117.07027	0.8
119.04934	0.5
119.07812	0.4
119.08589	5.2
119.09377	0.5
121.06520	0.5
121.10136	2.7
123.08073	0.7
123.11705	2.3
125.09642	0.5
127.03950	1.3
129.07001	3.7
131.08565	3.5
133.06488	1.0
133.10136	2.5
135.11711	1.3
136.12010	0.5
137.09644	0.5
137.13304	0.7
140.27695	0.3
142.07806	0.7
145.03825	0.3
145.04988	1.2
145.10120	1.2
146.10445	0.4
147.07974	0.6
147.11685	4.7
149.09636	2.1
149.40060	0.3
151.11223	0.4
157.10138	4.7
163.06042	1.1
163.11162	1.7
164.11552	1.0
165.12766	1.2
175.11182	6.1
181.12296	0.5
184.07355	0.9
193.12248	18.2
194.03047	0.3
194.05151	0.3
211.13287	24.0
227.12697	1.9
228.13103	0.6
229.13591	0.4
239.23718	1.0
257.24783	0.9
267.15924	9.6
283.15393	2.7
284.15875	1.8
285.16968	23.4
313.27362	32.1
314.27628	2.3
315.28134	0.9
393.99390	0.3
429.21268	0.8
505.38782	8.2
521.38580	1.3
522.38782	2.3
523.39935	100.0
524.40308	1.7
667.43866	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	880.5261
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02921	2.8
65.03931	0.8
67.05504	12.7
69.03414	1.3
69.07065	7.9
70.08286	0.4
70.08669	0.6
71.04993	2.1
71.08631	17.0
73.02905	1.8
73.03248	0.3
74.08377	0.2
75.04453	0.3
77.03909	0.3
79.05493	13.8
80.66801	0.3
81.03419	1.5
81.07054	18.3
83.04980	2.1
83.08616	10.6
85.02437	0.3
85.02911	3.8
85.06552	1.0
85.10184	11.7
89.06017	1.5
91.03970	1.9
91.05468	4.3
91.06006	0.3
93.03401	0.3
93.07042	21.8
95.04974	3.4
95.08604	35.6
97.02890	4.8
97.06525	2.5
97.10165	4.6
98.21436	0.3
99.04454	3.7
99.11728	0.5
101.06052	0.3
103.05428	0.3
103.07577	1.0
104.82417	0.3
105.06377	0.5
105.07028	4.6
107.04950	6.2
107.05631	0.5
107.08594	17.6
109.06515	1.2
109.10156	7.8
111.04437	1.3
111.08089	0.8
111.11720	0.8
113.06026	0.4
113.09631	0.3
113.13244	0.4
115.05462	0.3
117.07018	5.6
117.09142	0.5
119.08587	6.4
121.06511	4.3
121.10137	9.1
122.67648	0.3
123.11704	2.2
125.06007	2.6
127.03883	0.8
127.07590	0.4
130.07770	0.8
133.10152	2.1
135.08122	1.5
135.11688	38.9
136.12051	0.3
137.13242	1.3
139.07538	1.8
139.11201	0.5
143.08568	0.9
145.04968	0.7
145.06401	0.5
145.10127	20.6
146.03476	0.3
153.12753	0.8
155.08498	0.4
163.11179	52.3
164.11514	0.5
165.16376	0.4
173.09624	0.6
178.90198	0.2
181.12236	9.4
184.07333	0.7
187.16765	0.3
191.10674	0.3
209.11778	1.2
221.22746	0.4
227.12778	57.2
228.13130	0.3
236.90739	0.3
239.23695	1.6
253.14279	0.3
254.30057	0.3
257.24738	2.1
267.15918	0.3
283.15387	87.2
284.15726	0.9
313.27356	82.7
314.27646	1.7
319.00229	0.3
521.38373	100.0
522.38751	2.3
533.50824	0.3
729.63367	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	878.5469
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02914	2.7
65.03926	1.2
67.05182	1.0
67.05508	15.3
69.06802	0.5
69.07074	5.8
70.54268	0.6
71.04969	1.1
71.06003	1.1
71.08638	9.7
72.08147	2.5
73.02914	0.7
79.05493	22.0
81.03413	2.6
81.06592	1.2
81.07056	19.2
82.96391	0.7
83.04997	4.2
83.08618	6.2
85.02906	3.2
85.10172	7.7
87.04438	0.8
91.03967	2.2
91.05480	18.1
93.07043	24.4
95.04967	6.9
95.08602	14.8
95.09180	1.2
97.02856	1.6
97.06527	1.3
97.10152	2.4
105.04526	0.8
105.07034	12.2
107.04947	2.8
107.08598	6.5
109.06548	2.0
109.10146	4.9
109.89539	0.7
111.08071	0.9
117.07025	2.7
119.08579	7.8
121.06490	0.8
121.10136	1.3
123.08053	1.6
123.11689	2.1
127.03871	0.8
129.07005	6.6
131.08536	1.1
133.10124	3.1
135.11684	1.2
143.08592	3.7
145.10120	4.6
147.08070	1.4
147.11688	14.0
161.09625	2.1
161.13239	4.4
171.11694	12.3
184.07385	0.8
189.12776	3.7
207.13806	12.4
281.17474	48.3
282.17679	0.7
313.27356	37.9
410.25702	0.8
519.40460	100.0
520.40839	2.9
543.65747	0.7
762.75751	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	878.5472
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02925	2.5
62.51420	0.7
65.03934	1.0
67.05509	21.5
69.03413	0.8
69.07073	6.8
71.08633	11.4
71.52388	0.8
71.52835	1.0
73.02914	1.1
73.06525	0.7
79.05497	27.6
81.03413	3.1
81.06589	1.4
81.07058	22.8
83.04982	7.8
83.08618	7.0
85.02895	4.0
85.06541	1.1
85.10180	7.6
91.03954	2.2
91.05481	21.5
93.07044	26.7
95.04956	6.2
95.08608	18.7
97.02882	1.7
97.06538	1.9
97.10183	3.4
99.02703	0.7
99.08120	0.7
105.07036	15.9
107.04965	1.6
107.08603	6.4
109.06526	1.7
109.10169	6.3
111.08092	0.9
117.07024	3.3
119.08578	9.6
120.82479	0.9
121.10172	2.7
123.08069	2.9
123.11735	1.6
128.06134	0.9
129.07030	7.1
131.08569	1.5
133.10088	4.3
134.19856	0.7
135.11728	0.9
137.13408	0.8
143.08580	3.4
145.10138	4.2
147.08081	1.2
147.11693	18.9
161.09636	2.2
161.13275	5.8
161.65205	0.7
171.11699	11.0
189.12741	3.3
207.13812	8.2
225.14783	1.2
257.24774	1.2
275.18054	0.8
281.17477	89.0
282.17773	1.1
313.27371	31.9
471.11118	0.8
519.40472	100.0
520.40771	1.6
537.41602	0.9
543.67468	0.8
577.69574	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	877.4929
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02928	4.2
65.03970	0.5
67.05499	4.5
69.03422	2.7
69.07058	2.3
69.33788	3.6
71.04966	0.8
71.07385	0.5
73.02911	2.9
79.05471	3.5
81.03427	2.1
81.07053	3.3
83.04984	1.5
83.08601	0.8
85.02901	4.6
86.09699	2.2
86.87920	0.4
91.03963	2.9
91.05491	2.6
93.07060	4.0
95.04964	1.2
95.08605	2.0
97.02899	3.6
97.06522	0.7
97.10178	0.6
98.21535	0.9
99.04449	0.7
101.02390	1.4
102.94579	0.4
105.07016	2.4
107.08609	2.0
109.02895	0.6
109.06525	0.5
109.10178	1.3
117.05513	0.6
117.07047	1.2
119.08585	1.0
121.10155	0.8
123.08152	0.5
123.11747	0.5
124.99987	2.1
125.09637	0.8
127.03935	1.0
129.05463	0.7
129.07016	0.5
131.08583	0.7
133.10135	1.4
135.11716	1.5
145.10161	1.1
147.11696	0.6
149.13242	0.6
163.03925	0.5
184.07341	8.6
184.08971	0.5
185.04256	1.8
185.07675	0.7
194.90950	0.5
201.03722	0.8
203.05356	0.7
221.11668	0.7
223.13263	0.6
228.97533	0.5
243.08401	3.8
243.10327	0.4
263.12524	0.7
301.08981	5.5
313.27325	0.8
315.10663	1.5
333.20340	3.6
341.12271	0.4
355.15445	0.5
357.15140	0.7
359.21979	0.9
369.15714	0.8
371.16919	0.8
373.11005	2.7
373.23691	0.9
385.18326	2.8
389.23074	0.7
413.17783	1.1
427.19458	0.6
429.17902	1.9
431.23883	0.8
439.19354	6.5
453.21033	1.7
469.20828	1.0
477.24768	1.2
481.20410	4.1
499.21869	0.9
511.21411	0.5
515.33765	0.9
533.27728	0.5
541.22443	5.3
551.28314	11.9
567.27869	1.1
574.82855	0.5
583.31281	0.8
623.30334	3.2
625.32007	1.9
637.31903	1.3
651.34241	0.7
665.35315	0.6
679.33771	0.9
693.37762	1.2
707.41748	0.6
719.39880	0.6
723.39294	1.8
749.40790	17.9
791.41876	19.4
792.41296	0.6
843.48309	0.6
859.48230	3.6
860.48602	0.8
877.48907	100.0
878.48425	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	877.4919
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02927	2.9
64.90676	0.3
67.05508	4.4
69.03430	2.5
69.07063	3.1
70.08066	1.0
70.08440	0.4
71.05004	0.9
73.02921	2.1
79.05496	3.7
81.03419	2.3
81.07056	3.9
83.04988	0.7
83.08646	0.8
85.02905	3.1
86.09706	1.3
91.03948	1.6
91.05482	3.4
93.07048	3.1
95.04971	1.7
95.08604	1.7
97.02900	2.6
97.06539	2.8
97.10184	0.6
99.04475	0.8
101.02384	1.4
105.04435	0.3
105.07033	2.0
107.04976	0.6
107.08587	2.1
109.02899	0.7
109.10196	1.0
111.08068	0.3
115.03965	0.3
115.05624	0.2
117.07047	0.7
119.08554	1.6
121.06499	0.6
121.10164	1.0
121.55046	0.2
125.00083	1.0
125.09650	0.4
127.03912	0.9
129.07021	0.3
131.08597	1.0
133.10109	1.3
135.08121	0.3
135.11719	0.8
145.10114	0.3
147.11696	0.6
149.09595	0.3
157.10265	0.3
159.11711	0.4
175.11320	0.3
184.07336	4.0
185.04286	0.4
193.28467	0.3
193.38980	0.3
203.05341	0.8
241.06854	0.4
243.08463	2.4
253.13170	0.3
301.09015	0.5
315.10651	0.4
319.18930	0.7
333.20444	1.3
349.19824	4.4
355.13638	0.4
385.18686	0.3
389.23141	0.3
405.22379	0.9
413.17673	0.5
439.19461	1.6
453.21021	1.6
492.56738	0.3
541.46283	0.3
549.27100	0.5
551.28235	4.4
567.27765	4.0
569.29382	0.7
585.29181	1.4
673.34369	0.4
689.32538	0.6
877.49158	100.0
878.49353	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	875.4752
Annotation	Pectenotoxin 1
Peak:m/z	Relative Intensity
61.02913	2.8
65.03942	0.5
65.50957	0.4
67.05504	4.0
67.19885	0.4
67.95252	0.4
69.03436	2.9
69.07083	3.0
69.90658	1.8
69.96195	0.4
70.06586	0.7
71.04998	1.0
72.08148	0.4
73.02911	2.4
79.05496	3.9
81.03407	2.8
81.07049	3.5
83.04998	0.9
83.08618	1.4
85.02902	4.0
86.09719	1.3
87.04438	0.5
91.03962	2.0
91.05472	3.3
93.07049	2.7
95.04982	1.9
95.08611	2.0
97.02889	3.0
97.06530	2.2
97.10178	1.0
99.04465	0.4
101.02399	1.6
105.07034	1.7
107.04995	1.1
107.08628	1.3
109.02946	0.6
109.06569	0.6
109.10168	1.2
117.07001	1.3
119.08578	1.7
121.06483	0.7
121.10168	0.6
123.04365	0.4
125.00024	0.7
125.09669	0.7
127.03954	1.1
131.08606	0.9
133.10149	1.3
135.08009	0.4
135.11679	0.5
139.03975	0.5
139.59793	0.4
145.10161	1.0
159.11737	0.7
163.11197	0.6
184.07318	3.3
223.13220	0.6
243.08466	3.4
280.23535	0.4
287.05209	0.6
291.19525	1.2
301.09128	0.7
313.87650	0.4
331.18863	1.0
349.19955	2.9
405.22260	0.7
439.19440	1.6
453.20966	1.4
549.26569	4.4
551.28430	1.4
565.25897	0.5
567.27802	4.3
723.39331	0.9
747.38525	0.5
777.40131	0.6
829.42798	1.2
857.45978	0.7
875.47528	100.0
876.47809	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	872.5364
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02916	5.1
65.03929	6.3
67.05507	100.0
69.03434	16.3
69.07071	67.5
70.06590	4.5
71.05001	21.0
71.52452	2.3
73.02899	6.5
79.05497	80.7
81.03426	26.7
81.07059	97.2
83.04976	17.2
83.08615	21.1
85.02902	11.9
85.06536	5.8
86.09704	5.4
87.04508	2.4
91.05483	73.8
91.61797	1.9
93.07046	76.5
93.07639	4.1
95.04974	23.5
95.08613	42.3
97.02888	13.2
97.06535	90.7
97.10181	20.8
99.04432	6.2
99.08080	7.2
103.05486	4.5
104.75897	1.7
105.04515	3.7
105.07035	53.8
107.04969	18.2
107.08598	53.5
109.02863	5.3
109.06516	22.7
109.10159	34.7
111.08105	10.8
115.05437	4.8
115.07575	23.2
117.07024	30.9
119.04930	3.6
119.08582	38.7
121.06502	13.2
121.10138	26.4
123.04424	3.6
123.08048	9.6
123.11690	7.0
125.00000	1.8
125.09651	16.8
127.03894	8.8
127.07529	3.3
128.06204	5.2
129.07007	17.9
130.07785	2.7
131.08574	34.8
133.06500	8.6
133.10133	38.7
135.08064	17.4
135.11693	16.2
137.09596	6.0
139.03848	1.8
139.35889	1.6
141.06952	2.6
142.07713	1.8
143.08569	14.1
145.04958	3.2
145.06453	6.6
145.10124	28.3
147.08107	9.8
147.11707	17.1
149.09634	18.2
149.13258	13.7
151.11168	7.2
153.09030	3.3
155.08542	7.1
155.10620	3.0
157.10132	13.9
159.08049	3.6
159.11716	22.5
161.09627	8.5
161.13258	6.8
163.07480	2.2
163.11243	9.4
165.12813	3.4
167.08699	2.2
169.10117	6.2
171.11673	12.7
173.04456	7.8
173.09654	4.4
173.11760	4.7
173.13264	9.7
175.11107	3.5
177.12756	8.6
179.14339	4.4
181.10095	3.9
183.11693	7.0
184.07361	6.0
185.13252	5.5
187.11127	4.0
189.11177	8.2
189.12637	3.1
193.12100	2.5
195.11673	5.3
195.13800	6.2
197.13237	4.2
199.14903	2.6
201.12758	3.2
203.14128	3.6
211.14767	1.8
213.12798	2.1
215.17969	2.0
217.15825	8.2
219.13847	2.4
221.13397	2.3
221.15411	3.2
227.12776	18.2
227.17944	2.1
229.14357	11.5
229.19557	2.2
233.15367	4.1
239.17940	3.2
245.13835	2.8
245.18935	3.5
253.14310	8.6
255.15927	7.6
257.18961	5.8
267.15970	5.3
269.14856	3.3
269.17459	34.5
273.15512	1.9
273.18521	34.5
275.20078	35.2
291.19522	26.0
293.21231	3.0
297.16946	2.5
307.18893	2.0
329.21179	2.8
329.24722	2.4
347.22116	10.6
349.23749	24.4
365.23279	16.5
367.24829	4.1
383.24414	4.7
443.27731	2.2
449.28891	5.3
463.30453	7.9
519.33344	10.0
525.34991	3.0
527.32916	2.5
532.92413	1.9
541.35046	5.6
543.36902	18.1
545.34674	3.5
553.34021	3.1
559.36377	18.1
577.36908	4.2
621.41174	4.6
639.42523	14.8
657.43127	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	872.5366
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02914	4.7
62.32105	0.9
64.92968	0.9
65.03951	7.1
67.05508	100.0
69.03437	11.9
69.07072	69.7
69.55250	0.9
71.01356	1.4
71.04993	7.9
71.08606	1.2
73.02914	2.9
73.39757	1.1
77.03949	1.9
79.05497	73.5
81.03423	21.2
81.07061	93.1
82.07419	1.3
83.04984	15.7
83.08617	20.9
85.02916	8.2
85.06539	5.0
86.09700	1.7
91.05486	73.5
92.05783	1.3
93.07050	69.5
95.01325	1.4
95.04970	18.3
95.08611	53.7
97.02903	7.5
97.06532	22.3
97.10175	17.9
98.20779	3.8
99.04445	2.6
99.08107	3.5
101.06069	1.3
103.05473	2.6
105.04525	2.4
105.07036	57.0
107.04968	15.5
107.07872	2.2
107.08599	44.4
109.02889	3.7
109.06529	8.6
109.10164	35.3
111.04399	2.0
111.08091	7.8
113.09670	1.9
115.05457	4.1
117.07024	21.4
119.04922	1.4
119.08591	42.4
121.06523	9.4
121.10161	20.6
123.04378	1.1
123.08098	7.9
123.11714	5.1
124.99996	1.2
125.09642	13.1
127.03947	4.9
128.06218	2.6
129.05492	2.9
129.07013	11.1
130.07755	1.5
131.08577	27.8
133.06512	2.5
133.10139	32.9
135.08072	7.9
135.11707	16.7
135.33066	0.9
137.09621	17.7
139.11197	2.2
141.07011	4.6
142.07750	2.5
143.08562	7.7
145.04904	1.1
145.06494	1.9
145.10118	22.8
147.08054	4.6
147.11710	18.2
149.09628	29.5
149.13278	11.3
151.11145	5.0
153.09096	2.4
154.07709	1.1
155.08566	5.7
155.10661	2.3
157.10150	8.2
159.08047	1.8
159.11697	20.0
161.09615	2.4
161.13234	9.8
163.11194	14.6
163.14862	1.4
165.09091	2.3
165.12755	1.8
167.10782	1.3
169.10202	6.1
171.10188	3.8
171.11696	8.6
173.04500	2.1
173.09583	2.3
173.11755	8.4
173.13272	9.0
175.11168	4.0
175.14857	1.5
177.12778	6.4
179.10635	1.4
179.14334	5.2
181.10158	2.6
181.12260	3.0
183.11719	4.5
184.07387	3.0
185.09717	1.1
185.13281	4.8
187.11136	4.0
187.14761	2.5
189.11226	7.0
189.12747	2.3
193.12279	2.8
195.11853	2.0
195.13806	4.6
197.13316	4.9
199.13266	1.8
199.14902	2.1
201.12799	1.6
201.16331	1.2
205.12172	1.6
209.13264	1.2
211.14943	2.5
213.16408	1.4
215.14348	1.1
215.17932	1.1
219.13744	1.3
219.69022	1.0
223.13277	2.9
227.12718	11.0
227.14597	1.2
227.17989	2.1
229.14330	13.9
229.19440	2.0
229.37115	1.6
231.14005	1.0
233.15375	1.7
239.17924	3.8
243.15964	1.5
245.13844	2.1
245.19141	1.9
247.20621	2.5
253.14304	1.2
253.18089	3.3
255.15866	6.7
257.19009	11.5
259.20645	2.0
267.15851	3.1
269.17459	15.7
273.18430	4.2
275.20074	45.1
276.20663	1.1
291.19513	9.0
293.21124	3.8
311.20190	1.2
313.21649	2.4
321.24454	2.0
331.22668	2.8
333.24390	1.1
349.23755	44.9
365.23285	4.8
367.24805	3.6
371.22296	1.2
383.24295	2.5
409.25815	4.2
423.27417	8.0
433.30698	1.3
445.29230	2.4
447.31293	2.0
503.33438	4.5
511.33392	1.2
525.36078	2.0
527.37262	4.4
529.35248	8.1
543.36780	17.5
559.36139	2.2
623.43427	11.4
641.43683	3.6
872.42389	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	870.5208
Annotation	Unknow
Peak:m/z	Relative Intensity
64.12055	1.8
65.03923	3.5
67.05506	57.3
69.03432	15.5
69.07068	44.8
71.04990	11.9
71.52280	3.2
73.02912	3.8
79.05495	51.9
81.03410	13.5
81.06602	2.8
81.07060	54.4
83.04992	9.6
83.08628	15.4
83.96569	1.7
85.02888	5.1
85.06526	3.8
91.05482	47.1
93.07043	49.8
95.04980	16.4
95.08601	23.6
96.24446	1.7
96.42957	2.1
97.02900	9.5
97.05920	3.8
97.06531	47.8
97.10148	14.8
97.30143	1.7
97.92641	1.9
99.04490	2.3
99.08046	2.2
103.05504	2.7
105.07034	36.4
107.04985	16.2
107.08601	31.9
109.02881	2.6
109.06541	15.9
109.10160	19.8
111.08078	8.3
115.05448	3.6
115.07581	9.6
116.06226	2.1
117.07027	20.6
119.04900	2.3
119.08586	27.4
121.06518	10.4
121.10148	11.2
123.04432	2.7
123.08055	8.6
123.11678	3.6
125.09627	10.1
127.03892	3.8
127.07530	3.2
128.06241	2.2
129.07037	11.2
130.07745	2.7
131.08578	18.5
133.06461	7.0
133.10139	25.9
134.07320	1.9
135.08052	12.9
135.11681	8.3
137.06029	2.2
137.09602	5.7
141.07002	4.0
143.08571	9.4
145.06509	3.6
145.10121	16.5
147.08052	7.9
147.11665	8.3
149.09601	7.5
149.13219	6.5
151.11165	4.7
153.09120	3.3
155.08582	4.2
157.10095	7.1
159.08044	4.6
159.11659	10.7
161.09627	6.4
163.11169	5.1
165.09015	2.0
165.12651	2.0
168.09451	2.0
169.10062	3.5
171.11668	5.7
173.04413	2.5
173.09624	3.2
173.13254	3.0
175.11234	4.1
177.12753	3.9
183.11681	2.7
184.07397	3.3
185.13249	2.9
187.11238	3.8
187.14896	2.5
189.11237	6.4
193.12201	2.4
195.13791	3.5
199.09222	1.8
199.11159	2.0
217.15855	5.2
223.13293	14.3
227.12741	8.2
227.17960	2.4
229.14296	2.7
233.15338	3.3
245.18900	4.5
249.14879	3.1
253.14323	8.3
257.18964	2.2
269.17468	16.5
271.17075	3.3
273.18491	35.8
275.20044	8.0
289.17847	8.8
291.19534	100.0
292.19788	2.8
307.19019	6.3
329.21024	3.1
346.00128	1.7
347.22244	13.2
349.23651	4.2
365.23288	41.0
381.22720	4.4
383.24420	2.0
392.91196	1.9
428.34619	2.0
442.33521	1.9
545.34161	2.7
559.36261	24.7
587.35608	3.3
637.40588	7.9
655.41943	18.9
673.41974	4.3
698.14819	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	870.5207
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02920	2.0
65.03934	3.0
67.05505	61.1
68.05025	1.9
69.03429	15.3
69.07070	56.4
69.88588	0.9
71.01375	1.2
71.05009	9.9
71.17683	2.1
71.18003	0.9
73.02917	2.1
79.05495	52.5
81.03414	12.3
81.07056	49.7
83.04977	9.4
83.08617	13.8
85.02884	5.6
85.06530	3.4
91.03949	1.4
91.05479	42.2
93.07041	41.3
94.04185	1.4
95.04971	16.6
95.08607	32.9
97.02901	14.1
97.06528	23.7
97.10166	16.2
97.37351	0.9
99.04445	1.7
99.08073	2.7
103.05474	1.8
105.04503	2.4
105.07031	32.8
107.04955	17.2
107.08595	27.3
109.02889	2.2
109.05885	1.0
109.06538	6.9
109.10161	25.0
111.04419	2.0
111.08074	6.0
115.05461	2.9
115.07559	4.4
116.06185	1.2
117.07018	16.8
119.04943	1.8
119.08577	26.6
121.06531	7.0
121.10142	11.7
122.07291	1.1
123.04472	1.2
123.08067	6.5
123.11683	2.2
125.06055	1.5
125.09636	11.7
127.03923	2.4
128.06239	1.1
129.05499	1.6
129.07004	5.9
131.08569	18.3
133.06476	4.2
133.10127	17.7
134.07242	2.0
134.10501	1.4
135.08067	7.4
135.11688	10.1
137.09615	13.4
139.07532	2.0
139.11139	0.9
141.07002	1.7
142.07756	1.8
143.08556	5.9
145.06487	2.6
145.10114	13.5
147.08025	6.1
147.11691	9.8
149.09608	16.5
149.12157	1.0
149.13246	4.6
151.11169	2.9
153.09189	1.7
155.08534	1.7
155.10686	1.3
157.10149	4.9
159.08054	2.1
159.11731	8.5
161.09631	4.7
161.13225	3.9
163.11201	9.8
165.09094	3.0
165.12750	1.2
167.10637	1.1
169.10104	3.3
171.10239	1.8
171.11678	4.5
173.09686	1.6
173.11748	3.9
173.13277	2.5
175.11180	3.4
177.12721	2.1
179.14322	3.2
183.11650	1.9
184.07304	1.6
184.13275	1.8
185.13269	2.6
187.11140	1.8
187.14830	1.1
189.11224	6.5
189.12682	2.5
195.11859	1.4
195.13744	2.5
199.11166	1.4
199.13205	1.4
201.12715	1.4
203.14311	1.2
205.12268	3.2
211.13292	1.7
223.13289	18.1
227.12657	5.8
229.14339	6.3
229.19418	1.7
233.15419	1.5
243.13553	1.2
245.18935	2.0
249.14871	3.9
253.17918	1.8
255.15724	1.7
257.19012	5.3
267.15909	1.5
269.17377	2.3
273.18494	16.2
275.20065	19.9
279.16016	1.3
291.19537	100.0
293.21030	2.7
297.17105	1.5
303.23383	1.0
309.20432	1.0
321.23975	1.5
337.24072	1.1
347.21979	2.1
349.23709	27.7
365.23242	29.7
381.22626	1.3
461.29044	4.0
517.35748	1.1
519.33014	9.8
543.36737	6.0
559.35474	1.7
639.32324	1.8
639.42529	31.8
655.41638	1.3
657.43353	1.1
752.64807	1.1
870.42346	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	867.2127
Annotation	Dolabriproanthocyanidin
Peak:m/z	Relative Intensity
65.03944	3.4
67.01878	0.8
67.05482	1.1
68.99789	9.9
70.41735	1.9
74.31403	0.7
77.03944	0.9
79.05488	1.1
81.03415	3.7
83.04967	1.9
85.02911	2.2
89.03932	2.9
91.05482	1.8
93.03423	4.5
95.04971	2.7
98.20832	1.0
98.97627	0.9
103.05448	0.9
105.03398	1.6
107.04963	6.8
109.02898	3.5
109.13017	0.7
111.00813	7.3
111.03711	0.9
111.04448	13.4
115.05466	1.2
117.03355	2.0
119.04958	2.9
121.02868	2.6
123.04433	89.1
124.04752	1.2
127.03920	100.0
129.06996	1.0
131.04927	3.8
135.04420	80.3
137.02364	6.4
139.03902	72.7
141.06932	1.0
143.04861	1.2
145.02849	1.9
145.06528	1.9
147.04405	10.1
149.02354	7.1
149.05978	2.6
151.03897	21.4
153.01807	1.2
153.05458	1.2
153.07040	0.8
155.04915	1.1
157.06496	1.1
158.99637	0.8
159.04414	5.2
161.06029	4.8
163.03911	73.5
164.04437	1.1
165.01831	1.3
165.05531	6.0
167.03438	6.6
169.04994	4.4
169.06369	1.6
171.04427	0.9
173.02464	1.1
173.05968	5.8
175.03903	5.6
177.05478	7.1
179.03386	9.7
181.04980	2.1
181.06447	1.0
183.04439	2.5
183.08009	0.8
185.05984	2.6
187.03908	10.1
187.07503	1.0
189.05501	4.6
191.03400	12.6
192.90323	0.9
193.04988	2.8
197.05980	5.0
199.04004	1.0
199.07574	0.8
201.05473	11.5
203.03407	16.0
203.07042	3.2
205.01208	0.7
205.04991	4.8
207.49242	0.7
209.05916	0.8
211.07553	0.9
213.05522	4.9
214.05905	0.9
215.03346	3.4
215.06909	3.4
216.04413	0.9
217.04982	3.1
219.03044	0.9
219.06570	1.5
221.06049	1.2
223.02354	2.9
225.05484	3.6
229.04968	15.4
231.06508	4.1
233.04427	5.7
235.02242	1.0
237.02997	1.1
237.05484	2.0
239.07059	1.5
241.04933	4.7
242.05586	0.8
243.06487	7.4
244.03632	0.9
245.04469	50.9
247.06018	53.0
248.06352	1.2
253.05020	3.2
255.06483	3.6
257.04477	20.0
258.05066	2.8
259.06003	13.0
260.06564	1.4
261.07550	3.8
263.05615	2.3
265.05045	1.8
267.06470	1.7
269.04510	5.9
270.05276	1.0
271.03058	1.7
271.06012	33.2
272.06573	1.2
273.04019	0.8
273.07550	2.5
274.04688	2.1
275.05490	14.9
281.04532	2.6
283.05991	12.5
284.06519	0.9
285.03906	1.7
285.07635	1.5
287.05499	29.5
288.05814	6.9
289.07065	46.7
291.08643	22.9
295.05945	4.2
297.04218	1.8
297.07434	1.2
299.05591	7.9
301.07080	16.4
303.05115	1.2
303.08624	2.6
309.04163	1.3
311.05490	3.4
313.06995	4.7
321.03699	0.8
323.05585	3.3
327.05075	1.5
329.06470	1.6
331.08316	2.9
333.10068	1.0
337.07150	1.0
341.06693	1.4
349.06927	1.0
351.04977	1.3
361.07019	2.3
365.06537	1.2
377.06500	1.4
379.08118	7.3
381.09415	1.0
383.07611	2.1
389.06680	3.1
391.08298	3.5
393.05801	3.8
395.07828	0.8
397.09354	4.0
401.06607	0.9
403.07895	1.6
405.06012	2.8
407.02768	0.6
407.07605	15.8
409.09180	33.1
410.09396	0.9
411.10703	5.9
415.09039	1.0
417.05884	0.8
419.07645	3.9
421.09262	5.4
425.08649	11.7
427.10306	21.5
431.07474	1.0
433.09186	6.5
435.10843	1.1
437.08868	7.4
439.10300	3.2
449.08865	3.5
451.10306	11.1
453.11603	2.3
469.11148	2.6
500.82645	0.8
516.30029	0.9
517.11316	2.1
527.09784	2.6
529.11340	1.1
531.13086	1.0
534.11334	1.3
535.11737	2.7
541.11365	1.9
545.10608	6.6
553.11407	1.1
557.10675	1.6
559.12494	3.5
561.13611	1.0
571.12415	4.0
577.13507	6.8
579.15057	9.9
589.13342	2.2
679.13965	1.8
697.15479	5.1
715.15906	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	865.1973
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03936	0.3
68.99794	1.8
71.16597	0.2
75.91975	0.2
79.54275	0.2
79.85117	0.2
81.03399	0.6
85.02845	0.3
86.06640	0.2
89.03897	0.2
95.04949	0.4
95.49699	0.2
103.05489	0.3
107.04948	0.7
109.02833	0.4
111.00797	1.2
111.04418	0.3
115.05426	0.4
117.03398	0.3
119.04966	0.5
121.02848	0.9
123.04430	11.2
127.03925	4.2
129.06964	0.2
131.04898	0.6
133.02821	0.2
135.04430	3.7
137.02348	9.3
137.03392	0.6
139.03902	8.1
141.06981	0.3
143.04855	0.5
145.02846	0.5
145.06464	0.3
147.03380	0.3
147.04434	3.4
149.02336	4.1
149.05928	0.3
151.03891	1.8
153.01823	2.8
155.03368	1.2
155.04865	0.3
157.06511	0.7
159.04433	0.7
161.02264	0.3
161.05954	1.4
163.03909	6.7
165.01826	0.5
165.05482	1.1
167.03410	0.5
167.04909	0.3
169.06541	0.3
171.04401	0.7
173.05989	0.7
175.03941	2.3
175.07587	0.3
177.01801	0.5
177.05495	1.0
179.03406	0.9
179.07071	0.2
181.06467	0.6
185.05988	1.7
187.03862	1.5
189.01836	0.3
189.05457	1.8
191.03400	1.9
193.04933	0.9
197.06007	0.8
199.03909	1.1
201.05484	1.7
203.03398	5.0
203.07060	0.8
205.05043	0.4
207.02827	0.4
207.06502	0.9
213.05463	3.4
215.03394	0.7
217.04973	1.2
221.04395	0.4
225.05492	0.6
227.03456	1.0
227.06967	0.2
229.04968	3.7
231.02989	0.4
231.06512	4.5
233.04541	1.0
237.05447	0.6
239.03537	0.4
239.06927	0.3
241.04919	2.1
242.05728	0.4
243.06535	0.5
245.04460	4.7
247.06021	7.6
253.04942	0.7
255.06386	1.0
257.04446	16.6
258.05222	1.3
259.06024	8.8
265.05090	0.4
267.06522	0.3
269.04456	3.9
271.05984	3.8
273.07535	0.9
275.05478	1.4
281.04428	0.9
283.05994	4.4
285.03961	0.9
285.07275	0.3
287.05496	100.0
288.05875	1.2
289.07083	2.4
291.08871	0.3
293.04504	0.4
295.02563	0.4
295.06067	0.7
297.03891	0.6
297.07327	0.3
299.05453	1.6
301.07056	6.6
303.08557	0.8
305.08069	0.3
307.06137	0.2
309.03778	0.4
309.07367	0.4
311.05447	1.5
315.04977	0.3
315.08768	0.3
319.06085	0.3
321.07562	0.2
323.05432	0.5
327.05157	0.4
335.05432	0.3
345.07574	0.4
349.06931	0.4
351.05011	0.5
353.07053	0.2
361.06998	0.8
363.08795	0.2
365.06473	0.3
367.08212	0.2
373.07016	0.7
374.07587	0.3
377.06506	0.9
379.08112	0.9
385.07159	0.3
389.06598	1.2
391.08212	1.2
393.06058	0.6
395.07602	2.1
403.08215	0.6
405.05655	0.3
407.07623	2.3
409.09180	9.7
411.10822	5.3
413.08734	4.5
417.05692	1.2
419.07495	1.0
421.09140	0.6
425.08664	0.6
427.10312	1.3
429.05215	0.3
431.07559	1.6
435.06589	0.6
435.11581	0.4
437.08664	0.4
447.07239	1.4
449.08688	1.7
453.11685	0.6
483.06918	0.3
515.10114	0.5
525.08038	0.8
529.11462	0.3
533.10803	19.0
534.11011	0.3
541.11591	0.3
543.09198	6.2
545.10773	0.4
555.08716	0.5
557.10535	1.8
561.10156	1.6
569.10718	1.4
573.10181	2.5
575.11725	1.6
581.10571	0.3
585.10071	0.4
587.11768	0.7
677.12695	1.2
695.13928	11.7
696.13892	0.3
713.14954	9.1
739.16132	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	861.4971
Annotation	Unknow
Peak:m/z	Relative Intensity
60.46484	0.2
61.02929	2.9
63.20404	0.2
64.46990	0.2
65.03960	0.3
67.05505	4.4
69.03438	2.2
69.07073	3.0
69.37556	1.5
71.01367	0.4
71.04992	0.7
73.02925	2.5
74.88699	0.2
79.05494	3.8
81.03423	1.8
81.07061	5.6
81.07535	0.4
83.04998	0.9
83.08621	0.8
85.02915	3.5
85.06517	0.2
86.09728	0.9
91.03965	1.8
91.05488	3.6
93.07047	3.1
95.04987	0.9
95.08606	2.1
97.02898	3.4
97.06562	0.7
97.10195	0.5
98.20619	0.2
99.04472	0.7
100.68162	0.2
101.02394	1.5
103.03942	0.3
105.04553	0.3
105.07035	2.8
107.04988	0.7
107.08593	1.9
109.02915	0.5
109.06538	0.5
109.10135	0.9
110.71136	0.2
111.04498	0.2
111.08110	0.4
115.03972	0.2
117.07056	0.8
117.66837	0.2
118.71165	0.2
119.08572	1.6
119.09229	0.2
121.10147	1.1
123.08100	0.5
125.00037	0.8
127.03903	0.9
129.05464	0.2
129.07045	0.4
131.08600	0.8
133.10133	1.4
135.08118	0.2
135.11671	1.4
136.06213	0.7
137.09676	0.4
145.10181	0.5
147.11728	0.7
149.09662	0.4
149.13310	0.3
151.49823	0.2
157.10147	0.2
159.11693	0.5
161.13280	0.3
163.11176	0.5
184.07344	3.3
184.08749	0.2
185.04294	0.5
185.07732	0.3
203.05283	0.4
241.07111	0.3
243.08379	2.6
259.08011	0.2
275.20212	0.3
301.08936	0.4
303.19479	0.2
312.42715	0.2
313.08878	0.2
333.20407	3.7
369.15262	0.3
373.23715	0.3
378.54053	0.2
389.23059	1.3
415.15155	0.2
429.17551	0.2
439.19370	1.8
453.20822	1.4
469.20767	0.8
473.89975	0.2
551.28308	12.2
623.30591	0.4
699.44714	0.4
763.42340	0.6
779.42926	0.3
861.49683	100.0
862.49988	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	861.4967
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02925	3.4
65.03949	0.3
67.05502	5.1
69.03425	2.7
69.07068	2.8
69.83436	1.0
70.01070	0.2
71.01353	0.4
71.05007	0.6
73.02914	3.1
73.76306	0.2
79.05489	4.0
79.05909	0.3
81.03414	2.7
81.07055	6.3
83.01379	0.2
83.04973	1.0
83.08630	0.8
85.02902	3.3
85.06558	0.3
86.09696	1.0
86.48972	0.2
87.04439	0.2
91.03960	1.7
91.05479	3.4
93.07042	3.6
95.04974	0.9
95.08612	2.7
95.51608	0.2
97.02895	3.2
97.06544	0.9
97.10174	0.5
98.98438	0.3
99.04472	0.8
101.02386	1.7
103.03963	0.2
105.07041	2.4
107.04967	0.4
107.08589	2.1
109.02896	0.7
109.06543	0.5
109.10150	1.2
111.08086	0.3
117.06994	1.0
119.08552	1.7
121.06550	0.3
121.10136	1.1
123.08106	0.3
123.11749	0.5
124.99996	1.0
125.09618	0.3
127.03912	1.1
129.05467	0.3
129.07030	0.3
131.08549	1.2
133.10181	1.1
135.11699	1.7
136.06198	0.2
137.09622	0.4
145.05072	0.2
145.10153	0.7
145.42091	0.2
147.11703	0.8
149.09596	0.4
149.13312	0.4
157.10182	0.4
159.11696	0.5
163.11174	0.5
171.11736	0.2
184.07321	3.4
184.08786	0.3
185.04225	0.5
185.07692	0.3
201.03693	0.2
203.05304	0.4
243.08394	3.2
250.41202	0.2
259.07977	0.3
269.87994	0.2
277.14078	0.3
301.09167	0.2
303.19299	0.4
313.08939	0.3
315.10419	0.3
323.56644	0.2
333.20355	3.6
389.22964	1.2
439.19501	2.6
453.21005	2.8
469.20502	1.0
551.28296	13.0
552.28705	0.3
643.39899	0.2
763.42218	0.5
776.45209	0.3
779.43335	0.3
861.49603	100.0
862.49988	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	861.4964
Annotation	Unknow
Peak:m/z	Relative Intensity
60.08157	1.7
61.02931	3.6
63.57024	0.4
63.74072	0.4
67.05498	5.0
67.69031	0.4
69.03442	2.8
69.07065	2.5
71.04984	1.0
71.52462	0.5
72.39825	0.4
73.02917	3.2
79.05486	4.7
81.03403	2.2
81.07053	7.1
83.04982	0.9
83.08640	0.7
85.02905	3.7
86.09706	7.4
87.10060	0.5
91.03967	2.4
91.05475	3.6
93.07034	3.9
95.04992	1.1
95.08619	2.8
97.02874	3.0
97.06546	0.6
97.10132	0.4
98.98482	0.9
99.04463	0.9
101.02390	1.5
104.10745	1.0
105.04478	0.4
105.07024	2.4
107.04900	0.4
107.08593	2.3
109.02898	0.8
109.06499	0.5
109.10172	0.8
117.07024	0.9
119.08607	1.5
121.10153	1.1
124.99999	4.8
127.03929	1.2
131.08578	1.3
133.10146	1.3
135.11723	1.6
136.06198	0.5
145.10207	0.7
147.11676	0.8
149.13278	0.5
157.61650	0.5
159.11778	0.8
184.07335	19.9
185.04292	0.6
185.07776	1.6
239.56038	0.4
243.08421	3.0
313.08945	0.5
333.20377	2.9
389.22971	0.9
439.19522	2.0
453.21030	2.8
469.20566	0.9
533.26990	0.6
548.49768	0.5
551.28259	11.0
763.42584	0.5
811.53241	0.5
861.49561	100.0
862.49780	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	859.4825
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02936	3.5
65.03943	0.8
65.05050	0.5
67.05508	6.0
69.03433	3.5
69.07063	2.1
71.01360	0.5
71.04993	1.0
71.08641	0.7
73.02919	3.0
73.90622	0.5
79.05505	4.5
81.03424	2.0
81.07061	6.8
83.04999	1.7
83.08618	1.3
85.02905	3.7
86.09731	1.4
91.03972	2.2
91.05484	4.9
93.07058	4.0
93.35042	0.5
95.04984	1.8
95.08614	4.7
97.02897	4.0
97.06548	0.8
97.10217	0.7
98.20681	0.7
99.04461	0.7
101.02367	0.9
104.36777	0.5
105.07019	2.5
107.04981	1.4
107.08630	1.8
108.98706	0.6
109.06544	1.1
109.10178	1.9
117.07090	1.0
119.08620	1.8
121.06499	0.9
121.10178	1.6
123.08089	0.6
125.00018	1.4
127.03865	1.0
127.62743	0.5
129.06996	0.8
131.08623	1.1
133.10147	2.6
135.11743	1.3
145.10178	1.0
147.11697	1.1
149.09659	0.6
149.13358	0.5
151.11197	0.8
157.10106	1.1
159.11743	1.0
163.03963	1.5
173.06065	1.6
175.11205	0.6
184.07329	4.8
185.04306	1.1
193.12312	1.4
199.04062	0.5
201.05638	0.7
213.05368	0.7
217.05089	1.5
243.08488	3.1
246.58821	0.5
267.13885	0.9
301.08990	0.8
311.13046	0.8
313.27618	0.7
329.13995	1.7
331.18765	2.7
333.20544	1.0
337.14468	1.3
355.15445	2.8
373.11652	0.5
385.16687	1.1
387.21429	0.6
429.19235	1.3
437.17661	0.6
439.19519	1.0
451.19534	0.9
453.21188	1.4
531.25433	1.3
533.27496	0.9
549.26984	1.7
551.28271	6.1
623.30316	1.0
667.42816	0.9
761.40552	1.3
773.40802	2.0
841.47278	5.3
859.47919	100.0
860.48541	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	859.4813
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02930	3.2
65.03948	0.5
67.05503	4.2
68.05862	0.3
69.03430	2.6
69.07072	2.8
70.56939	0.3
70.57285	0.6
71.01357	0.4
71.05022	0.4
73.02919	2.9
79.05495	3.7
81.03410	1.8
81.07060	5.0
81.34802	0.2
83.04996	0.8
83.08627	0.8
84.97433	0.2
85.02906	3.0
85.06526	0.4
86.09709	0.6
87.04477	0.6
87.47591	0.2
91.03950	1.9
91.05482	3.7
93.07043	3.1
95.04961	1.0
95.08604	1.8
97.02889	3.1
97.06544	0.7
97.10169	1.3
99.04475	0.3
101.02366	1.3
103.03934	0.3
103.05526	0.3
103.98874	0.2
105.04576	0.3
105.07043	1.9
107.04985	0.6
107.08585	2.0
109.02867	0.6
109.06515	0.5
109.10162	1.4
110.99502	0.2
111.04480	0.2
111.08110	0.4
115.03958	0.3
117.07039	0.9
119.08575	1.3
121.06522	0.5
121.10161	1.0
123.08056	0.3
123.11779	0.3
125.00031	0.3
125.09655	0.8
125.67925	0.2
127.03932	0.9
129.07004	0.3
131.08580	0.8
133.10141	1.7
135.08086	0.5
135.11711	0.9
137.09610	0.3
145.10139	0.7
147.11711	0.5
149.13272	0.5
151.11246	0.4
159.11754	0.4
171.11879	0.3
177.12761	0.2
184.07326	1.3
185.04250	0.5
203.05304	0.7
223.13333	0.7
235.13019	0.2
241.06856	0.3
243.08398	3.6
243.10741	0.3
251.12668	0.2
259.33014	0.2
269.17490	0.3
275.20157	0.3
286.53314	0.2
291.19528	1.0
301.09161	0.4
313.27280	0.3
331.18710	1.5
333.20276	1.7
345.74750	0.2
347.59909	0.2
369.15469	0.4
374.64828	0.2
387.21796	0.5
389.23172	0.5
412.55737	0.3
439.19681	1.1
453.20929	1.5
464.31735	0.2
469.20129	0.3
549.26733	6.3
551.28284	5.0
590.57996	0.2
626.43848	0.2
659.91052	0.3
685.84552	0.2
750.29712	0.2
761.39374	0.2
859.48077	100.0
860.48547	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	859.4817
Annotation	Pectenotoxin 2
Peak:m/z	Relative Intensity
60.49276	0.4
61.02929	4.3
64.87615	0.3
65.03922	0.4
67.05505	5.3
69.03433	3.3
69.07068	4.0
70.69576	0.6
71.01348	0.5
71.05009	0.5
71.17477	0.4
73.02918	3.0
79.05489	4.6
81.03430	2.3
81.07058	6.0
83.04979	1.3
83.08624	1.3
85.02915	4.0
86.09709	1.0
91.03946	2.0
91.05472	4.8
92.05800	0.4
93.07050	4.7
94.07370	0.6
95.04971	1.7
95.08607	3.8
97.02882	4.7
97.06519	1.3
97.10175	0.4
99.04464	0.9
101.02380	1.6
105.07022	4.3
107.04966	1.0
107.08568	2.0
108.08932	0.6
109.02900	1.2
109.06538	0.6
109.10155	2.1
117.07022	0.9
119.08602	2.9
121.06527	0.9
121.10149	1.4
123.08109	0.7
123.11690	0.6
125.00030	0.5
125.09641	1.0
127.03930	1.1
129.07008	0.6
131.08598	1.6
133.10135	2.9
135.08177	0.5
135.11708	1.0
143.08618	0.4
145.10161	1.4
147.11685	1.2
149.09621	0.5
150.13773	0.5
159.11693	0.6
161.09628	0.6
163.11156	0.7
165.12761	0.5
171.11693	0.6
184.07372	2.3
185.04318	0.5
193.12279	0.9
203.05397	0.5
243.08409	3.1
267.13815	0.5
273.18832	0.5
277.14838	0.4
301.08871	1.0
313.08868	0.6
313.17688	0.9
315.10501	0.7
331.18781	2.1
333.20453	2.4
355.15399	0.7
373.10910	0.5
389.22971	0.9
427.55750	0.4
429.18900	0.5
439.20123	0.4
451.19464	1.4
453.21771	0.5
493.59857	0.5
531.25592	2.4
549.26709	4.3
551.28308	6.7
565.79944	0.5
623.30432	1.2
719.40741	0.5
761.41034	1.4
763.54468	0.5
773.41217	0.6
841.46881	8.0
859.48059	100.0
860.48749	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	859.4811
Annotation	Pectenotoxin 2
Peak:m/z	Relative Intensity
61.02928	3.4
67.05507	4.4
69.03432	3.5
69.07066	3.0
70.20953	0.5
70.21349	0.6
71.01344	0.5
73.02916	3.1
73.68014	0.3
79.05493	4.4
81.03415	2.2
81.07053	4.2
81.28961	0.3
83.01338	0.3
83.04981	0.9
83.08621	1.0
85.02911	3.2
86.09714	0.5
87.04456	0.4
91.03967	2.2
91.05483	3.8
92.74452	0.3
93.07049	3.2
95.04959	1.3
95.08618	1.4
96.70701	0.3
97.02898	3.8
97.06522	0.6
97.10184	1.1
98.20393	0.2
99.04411	0.5
101.02391	1.6
105.07016	2.2
106.00318	0.3
107.04978	0.7
107.08598	2.7
107.72988	0.3
109.02920	0.6
109.06513	0.4
109.10172	1.0
110.03308	0.3
115.03935	0.4
117.07005	0.9
119.08571	1.2
121.06487	0.5
121.10177	0.7
125.00038	0.5
125.09646	1.1
127.03945	0.7
129.07005	0.5
131.08604	0.9
133.10109	1.3
135.08058	0.5
135.11696	0.7
145.10146	0.7
147.11662	0.5
149.09593	0.4
156.51929	0.3
159.11665	0.5
161.09621	0.3
171.11674	0.5
184.07367	1.9
185.04239	0.8
203.05270	0.7
223.13388	0.5
241.06903	0.4
243.08382	4.3
259.08014	0.5
276.11621	0.3
291.19702	0.9
301.08975	0.7
301.14224	0.4
303.19440	0.4
313.09030	0.6
315.10623	0.3
331.18878	1.2
333.20337	1.6
369.15762	0.4
389.22946	0.6
429.17502	0.3
439.19498	0.5
453.21237	0.6
469.20721	0.5
519.22107	1.0
529.19385	0.4
535.28699	1.9
549.18854	0.5
549.26782	4.4
549.34534	0.5
551.28375	5.9
621.12408	0.3
761.40686	0.5
813.43744	3.9
841.46802	0.7
859.48083	100.0
860.48688	3.2
864.42816	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	859.4299
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02837	3.4
67.05409	9.8
67.05793	1.4
69.03330	2.6
71.04923	0.7
71.52500	1.2
73.02817	2.8
75.55727	0.6
79.05385	1.9
79.92911	0.6
81.03304	2.6
81.06956	3.9
83.04893	0.9
83.08540	1.5
85.02789	5.0
86.09648	1.3
91.03835	4.4
91.05358	3.3
93.06928	1.9
93.07544	0.6
95.04868	1.1
95.08507	1.9
97.02776	3.8
99.04359	1.2
101.02268	2.2
105.06959	1.0
107.08517	1.1
109.02789	1.0
109.10161	12.6
110.07117	0.7
111.07965	1.0
117.06947	1.0
119.08461	2.2
120.15963	0.6
123.93629	0.6
124.99897	0.9
127.03783	2.3
131.08530	1.3
133.10056	0.8
135.11607	0.7
137.09526	0.9
139.03658	0.8
145.04840	0.9
145.10077	1.0
149.13193	0.7
155.10561	1.9
166.09192	0.7
173.11729	4.7
181.04681	0.9
182.24776	0.6
184.07353	7.1
185.04083	2.1
185.07596	0.7
195.09798	2.8
195.11391	0.7
196.15222	0.7
201.03558	0.8
203.05052	0.8
208.04677	0.6
221.11440	0.7
229.14336	4.3
243.08261	2.6
251.12419	1.4
265.14151	0.9
291.36209	0.6
301.08997	4.4
339.13943	1.0
369.15326	0.7
373.11014	1.9
385.18265	3.1
413.17850	38.7
423.23373	0.9
429.17331	1.8
441.20978	0.9
443.19141	0.8
453.20444	0.7
468.48453	0.7
471.21939	0.8
485.19421	3.0
499.21280	2.3
541.26654	0.7
549.26593	1.2
551.28387	1.1
557.29138	1.4
585.28827	100.0
586.29437	2.5
611.30579	1.5
613.32587	3.1
641.31580	3.2
643.33246	1.2
645.31372	0.8
657.30908	1.3
671.32739	1.9
689.33569	18.8
717.38000	1.1
755.38318	21.6
859.46234	24.7
860.47107	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	857.4653
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02930	2.3
65.03957	0.5
67.05504	6.4
68.05847	0.6
69.03429	3.6
69.07066	3.6
71.01371	0.6
71.04986	0.6
71.53014	0.9
73.02922	2.4
79.05493	6.1
81.03422	2.7
81.07062	7.6
82.07391	0.5
83.04988	1.5
83.08618	1.6
85.02901	3.2
86.09736	0.9
91.03959	1.8
91.05491	6.3
93.07054	4.9
95.04993	1.7
95.08598	3.1
97.02897	4.4
97.06559	0.5
97.10184	2.0
99.04469	0.7
101.02399	1.5
105.07035	3.9
107.04955	1.1
107.08590	3.4
108.08865	0.6
109.06537	1.0
109.10172	3.1
111.08110	0.6
117.07053	1.2
117.66730	0.5
119.08615	2.2
121.06509	0.9
121.10172	1.7
123.08086	1.2
125.09619	1.1
127.03942	0.8
129.07008	0.6
131.08600	1.3
133.10100	3.8
135.08052	0.8
135.11600	1.1
138.53123	0.5
145.10188	1.1
147.08174	0.7
147.11691	1.0
149.13264	0.6
151.11188	1.2
159.11665	0.8
161.09581	0.6
184.07420	1.9
185.04300	1.0
185.13315	0.6
223.13364	1.0
236.72334	0.6
243.08356	4.3
267.16006	0.5
291.19626	1.8
313.08987	0.8
331.18756	3.2
333.75366	0.5
335.25803	0.7
339.44873	0.5
366.31686	0.5
380.09625	0.5
387.21442	1.3
429.22461	0.5
491.25204	0.6
549.26813	11.5
621.28381	0.6
783.51605	0.7
857.46570	100.0
858.46259	3.5
877.25031	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	859.4297
Annotation	Unknow
Peak:m/z	Relative Intensity
60.08171	1.0
61.02941	6.3
67.05508	15.4
69.03426	3.1
69.07069	1.8
70.84591	0.9
71.05007	0.8
72.08161	1.0
72.16879	0.8
73.02924	4.1
79.05496	3.4
80.84876	0.7
81.03435	3.2
81.07069	6.1
83.05011	1.0
83.08616	2.1
85.02908	4.5
86.09698	2.6
86.76318	1.0
91.03958	3.4
91.05464	4.0
93.07059	3.7
95.04957	2.1
95.08611	3.4
97.02897	5.9
97.06528	0.9
97.10144	1.1
99.04448	2.0
101.02391	1.8
105.07043	2.2
107.08617	2.1
109.10165	11.5
111.08104	1.5
117.06969	1.5
119.08587	3.0
121.10150	1.2
124.99951	1.3
125.09653	0.9
127.03880	1.7
131.08577	1.6
133.06110	2.2
133.10114	2.1
135.11728	1.4
137.09628	1.1
145.10127	1.8
147.11684	1.6
155.10689	1.3
165.02794	0.9
173.11743	5.0
184.07358	6.2
185.04266	1.9
195.09981	2.0
201.03590	0.8
221.11539	1.4
229.07585	1.0
229.14337	5.3
229.30542	1.3
243.08495	2.8
251.12599	1.1
259.20593	1.3
260.20862	1.5
301.08862	4.6
311.14615	1.0
313.02039	0.8
315.10724	0.9
333.24402	0.9
334.24777	1.2
339.14124	1.3
373.10886	1.9
385.18546	4.0
413.17828	31.7
423.23599	0.9
429.17392	2.2
431.73724	1.5
485.19931	2.7
499.21161	1.7
527.37585	1.0
528.37122	1.4
551.71155	0.9
555.27942	1.1
557.29480	0.9
585.28821	100.0
586.28839	2.2
611.30402	1.0
613.31860	3.4
626.44629	1.6
641.31165	3.9
689.33624	9.4
755.38171	17.9
859.45361	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	857.4657
Annotation	Aurantimycin A
Peak:m/z	Relative Intensity
61.02935	3.6
67.05513	4.0
69.03435	3.7
69.07069	3.0
69.28231	1.2
69.28647	2.2
71.05003	0.7
73.02917	2.8
74.61370	0.4
77.05890	0.5
78.44869	0.4
79.05490	2.9
81.03417	2.4
81.07063	4.2
83.04990	1.4
83.08620	0.9
85.02895	3.5
86.09715	0.5
91.03967	2.1
91.05491	3.4
93.07058	3.2
95.04975	1.5
95.08608	2.4
97.02908	3.7
97.06548	0.9
97.10177	1.4
99.04454	0.6
101.02393	1.1
105.07029	3.2
107.04985	1.1
107.08605	2.2
109.02893	0.7
109.06534	0.8
109.10191	1.6
111.08044	0.5
115.05524	0.5
117.07005	0.9
119.08602	1.3
121.06532	0.5
121.10178	1.0
123.08076	1.1
125.09646	0.9
127.03937	0.8
131.08560	0.9
133.10152	2.8
143.08543	0.9
145.04941	0.5
145.10223	0.6
147.11690	0.8
159.33144	0.4
161.09605	0.4
171.11771	0.5
173.06184	0.5
177.12743	0.5
184.07382	0.8
185.04294	0.5
186.11618	0.4
193.12370	0.9
203.05353	0.5
223.13354	1.3
243.08437	3.9
273.18692	0.5
291.19675	1.7
301.09021	0.7
301.18103	0.5
313.17804	0.9
315.10474	0.6
331.18854	3.3
357.15274	0.7
369.15656	0.7
373.11404	0.5
373.70914	0.5
375.01276	0.4
387.21564	0.8
451.19601	1.1
531.25854	1.7
549.26648	9.1
621.28900	1.5
759.39258	2.1
839.45361	7.2
857.46594	100.0
858.47052	3.0
859.63104	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	857.4662
Annotation	Aurantimycin A
Peak:m/z	Relative Intensity
61.02931	3.3
65.03937	0.7
67.05509	10.4
68.05824	0.4
69.03439	4.6
69.07073	6.9
71.01365	0.4
71.04991	1.0
73.02914	2.7
79.05502	8.6
81.03423	3.1
81.07065	10.4
82.07385	1.1
83.04992	1.7
83.08633	2.1
85.02909	4.0
87.04443	0.4
91.03957	1.6
91.05488	7.1
92.05806	1.0
93.07051	7.1
95.04976	1.6
95.08617	4.3
96.08919	0.6
97.02896	4.8
97.06517	1.7
97.10190	3.3
99.04496	0.6
101.02386	1.3
103.05510	0.4
105.07043	5.6
106.07380	1.0
107.04984	1.3
107.08600	4.7
108.08951	0.5
109.02910	0.5
109.06526	0.7
109.10159	2.4
110.10501	0.5
111.08092	0.9
117.07029	3.0
119.08595	3.9
120.08931	0.8
121.06520	0.9
121.10172	1.8
122.10426	0.5
123.08088	1.4
125.09619	1.8
127.03921	1.2
128.06245	0.4
129.07030	1.3
131.08569	2.3
132.08920	0.5
133.10117	2.8
134.10492	0.7
135.08038	0.7
135.11708	2.1
137.09648	1.0
143.08600	1.6
145.10129	1.9
147.08122	0.6
147.11659	2.5
148.12119	0.6
149.09688	1.0
149.13290	1.0
151.11235	0.7
155.08496	0.4
157.10135	1.1
159.11729	1.4
161.13286	0.7
163.11205	0.6
171.11755	1.5
173.13316	0.7
175.11218	0.4
177.12732	0.4
184.07361	0.8
185.04286	0.7
185.10378	0.3
185.13281	0.5
189.11223	0.4
195.13837	0.6
212.76863	0.3
223.13304	2.5
227.12985	0.4
243.08426	4.5
253.14473	0.4
255.15633	0.4
259.20667	1.0
260.20963	0.7
269.17505	0.7
270.17935	0.7
274.66214	0.4
275.20184	1.4
276.20441	0.5
291.19577	3.9
301.08929	0.5
304.23743	0.4
306.38284	0.4
331.18811	2.9
333.24457	0.8
334.24658	0.7
347.44763	0.4
350.24283	0.6
387.21530	1.0
464.32007	0.5
481.51877	0.4
514.36639	0.5
528.38196	0.6
539.21191	0.5
542.62085	0.4
547.24408	0.7
549.26758	11.2
560.36768	0.5
608.43475	0.5
771.39221	1.4
834.68878	0.4
857.46582	100.0
858.47083	3.1
889.10638	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	856.5415
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02916	3.3
65.03945	4.6
67.05505	85.5
69.03429	10.8
69.07068	43.6
69.83572	3.3
70.06578	1.5
71.01357	1.5
71.04987	5.0
71.08606	1.3
73.02906	1.8
73.06564	0.9
77.03918	1.5
79.05494	70.8
80.05791	0.7
81.03416	17.6
81.07056	100.0
83.04984	17.8
83.08620	19.5
85.02897	7.6
85.06529	5.2
91.05480	62.5
91.05924	1.1
92.33775	0.7
93.07044	77.5
94.07340	0.9
95.04967	13.6
95.08607	48.7
97.02898	7.1
97.06528	21.2
97.10165	12.9
99.04443	2.5
99.08103	4.6
103.05468	1.8
105.04505	2.4
105.07032	49.1
105.26733	0.8
107.04967	13.5
107.08597	51.6
108.08925	1.4
109.02887	2.0
109.06523	9.2
109.09385	1.1
109.10152	17.7
111.04433	1.8
111.08067	7.4
113.05992	1.2
113.09686	1.8
115.05448	3.7
117.06224	1.7
117.07016	26.0
119.04944	1.2
119.08581	38.2
121.06506	7.5
121.10135	24.1
123.08077	8.5
123.11687	6.1
125.09644	8.5
127.03912	4.0
128.06189	2.8
129.05479	2.3
129.06993	10.0
130.07761	2.2
131.08572	30.2
133.06482	3.4
133.10135	30.8
135.08066	7.5
135.10696	1.4
135.11687	19.6
137.09624	5.2
139.11150	1.8
141.06996	3.6
142.07748	1.8
143.08571	10.0
145.04889	1.3
145.06516	2.1
145.10126	27.3
147.08051	3.3
147.11678	15.3
149.09613	18.9
149.13272	16.4
151.07561	1.1
151.11180	3.9
155.08527	5.6
155.10573	1.1
156.09378	0.9
157.10104	8.9
159.08070	2.4
159.11688	18.8
161.04773	0.8
161.09610	2.7
161.13278	5.8
163.11166	11.0
165.09152	1.2
165.12761	1.4
167.08524	1.2
169.10101	4.6
171.08018	1.1
171.10234	1.5
171.11613	8.2
173.04428	3.8
173.05812	1.0
173.09692	1.3
173.13268	8.9
175.11177	2.8
175.14821	1.2
177.12755	7.3
179.08446	1.6
179.10695	0.8
179.14349	4.1
181.10091	1.4
181.12248	1.5
182.10782	0.8
183.11710	5.1
184.07323	2.2
184.34406	0.8
185.13300	4.7
187.11159	2.0
187.14830	2.9
189.11263	4.1
189.12741	1.1
191.14395	1.4
193.12166	1.0
195.12080	1.6
195.13788	7.1
197.13248	4.2
199.11069	1.0
199.14763	1.7
201.12750	2.6
205.12218	1.3
209.13329	1.4
211.14888	1.4
213.14749	1.8
215.14372	1.0
217.15919	1.5
227.12770	13.1
229.14220	1.6
229.19513	2.0
233.15402	1.6
235.17061	1.0
239.17998	4.3
245.13707	1.0
247.20575	2.1
248.06781	0.8
251.16415	2.3
253.14201	1.6
253.18016	1.5
255.15871	15.8
257.19049	12.4
259.20605	1.1
267.15927	3.4
269.17471	50.6
273.18549	1.8
275.20071	46.9
291.19550	2.1
292.19836	1.0
293.21033	3.2
303.15820	1.3
331.22653	3.6
349.23712	44.6
350.23941	1.9
365.23236	1.6
367.24725	6.3
409.25656	1.0
413.21909	2.4
423.27481	1.3
431.27823	2.2
433.30673	2.0
435.27423	3.4
439.26706	1.2
445.29611	3.6
447.31464	0.9
449.28998	25.8
451.32037	2.1
461.28799	1.2
463.30545	32.2
469.32947	2.0
515.37012	1.4
519.33136	1.2
525.35834	5.3
527.37494	1.6
529.35303	9.2
543.36823	48.2
544.37494	1.4
547.35864	1.9
561.37994	5.8
593.32721	1.2
607.34412	3.0
623.42694	7.0
641.43890	6.1
676.44421	1.1
687.40594	1.9
721.59113	1.1
856.44684	4.9
857.45782	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	856.542
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02920	2.3
65.03937	4.5
67.05508	86.4
69.03085	1.1
69.03431	12.4
69.07071	49.6
69.94603	1.2
69.94946	3.8
71.01363	1.7
71.05004	6.9
73.02924	1.6
77.03913	1.7
77.52207	0.8
79.05021	2.1
79.05497	82.5
81.03424	16.3
81.07061	100.0
83.04986	14.9
83.08144	1.5
83.08617	20.0
85.02903	10.0
85.06543	5.8
86.09709	1.4
87.04447	0.9
91.05485	71.0
93.07047	74.6
95.01356	0.8
95.04974	15.8
95.08607	49.2
97.02893	6.7
97.06537	21.5
97.10174	16.2
99.04452	2.8
99.08104	6.0
103.05478	3.3
105.04511	2.2
105.07034	56.4
107.04962	14.4
107.08601	52.4
109.02883	2.8
109.06527	9.5
109.10167	17.9
111.04446	1.9
111.08073	7.2
113.09651	2.4
115.05465	3.0
116.06225	1.3
117.07020	25.8
119.04932	1.3
119.08585	40.1
121.06506	12.6
121.10144	22.9
123.08075	8.0
123.11712	5.8
124.99989	1.5
125.05952	1.0
125.09636	12.1
127.03038	0.8
127.03918	5.2
127.07597	1.1
128.06239	4.2
129.05527	2.0
129.07010	13.3
130.07732	1.9
131.04933	1.1
131.07588	1.9
131.08574	34.4
132.41290	1.0
133.06468	2.9
133.10135	33.5
135.08072	7.1
135.11696	21.9
135.12721	1.4
137.09618	3.8
139.11165	1.3
141.07010	4.0
142.07805	2.4
143.08568	10.5
143.10745	0.9
144.09332	2.2
145.06502	3.7
145.09048	1.8
145.10138	26.4
147.08044	3.4
147.11690	17.2
149.09631	21.5
149.13268	15.0
151.11192	4.1
153.09158	2.2
153.12849	1.0
154.07776	1.6
155.08566	5.9
156.09465	1.1
157.10107	8.1
159.08069	1.7
159.11699	22.0
161.09631	2.9
161.13252	7.1
163.11172	14.6
165.09128	0.9
165.12808	3.1
167.08569	2.5
167.14333	1.1
169.10110	6.2
171.08057	0.9
171.10277	2.0
171.11702	7.5
173.04475	3.9
173.09619	2.0
173.11859	1.2
173.13258	8.5
175.11198	2.5
175.14844	2.2
177.12772	6.9
179.14316	4.0
181.10164	2.6
181.12241	2.6
183.11768	5.4
183.13226	1.2
184.07430	4.1
185.13245	3.7
187.11147	2.4
187.14847	2.7
189.11259	6.6
189.12779	1.2
189.16159	1.0
191.14355	1.7
193.10138	1.2
193.12306	1.1
195.11740	2.5
195.13782	6.5
197.13280	3.9
199.14807	2.0
201.16301	1.6
205.12245	1.4
207.13773	1.5
209.13310	1.7
211.14902	1.7
213.12965	1.4
213.16429	2.5
215.14442	1.5
217.15852	1.0
219.13809	1.8
221.13264	1.2
223.14961	1.1
227.12770	18.4
229.14374	3.2
229.19545	4.4
233.15396	1.7
239.18031	4.4
245.13727	1.8
247.20610	3.7
251.16306	1.3
253.17932	2.1
255.15904	14.4
257.19006	14.4
259.20447	1.8
267.15958	3.9
269.17474	34.6
273.18564	1.9
275.20068	54.9
285.15027	1.0
287.20193	1.2
291.19867	1.3
293.21240	4.2
313.21533	1.5
321.24313	1.6
327.23306	0.9
331.22672	4.2
349.23734	51.7
351.21649	0.9
365.23584	1.4
367.24887	6.0
371.17175	0.9
413.21616	2.5
415.29633	1.1
423.27481	2.2
431.27988	2.5
433.30618	1.7
435.27124	3.0
437.30450	1.1
439.27045	0.9
445.29321	2.7
447.31216	1.4
449.29031	18.7
451.32065	2.0
463.30579	22.5
469.32809	2.2
485.32794	1.0
487.34247	0.9
503.33502	1.9
515.37054	1.3
517.34937	1.0
519.33282	2.2
525.35889	6.1
529.35333	13.0
543.36890	46.9
547.36182	1.2
561.37842	6.1
583.39764	1.7
607.34833	2.8
623.43011	12.8
641.44189	5.4
659.44904	1.4
687.40753	2.1
857.45758	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	856.5414
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02906	3.6
65.03933	3.5
67.05508	100.0
69.03420	3.9
69.07072	18.4
69.51352	3.3
69.51763	4.4
71.01360	2.0
71.04980	5.3
73.02900	2.9
79.05501	40.4
79.05965	2.4
81.03414	6.8
81.07062	63.9
83.01311	1.5
83.04973	4.5
83.08619	14.2
85.02906	12.3
85.06549	3.8
87.04468	2.4
91.04968	2.2
91.05479	24.6
93.06483	2.5
93.07047	43.6
95.04974	5.3
95.08612	42.6
97.02893	4.7
97.06509	4.8
97.10172	15.1
98.20760	2.4
99.08071	1.9
105.04488	1.5
105.07034	14.9
107.04944	3.3
107.08601	25.8
109.06514	2.5
109.10160	55.4
111.04488	1.4
111.08089	4.2
117.06998	9.1
119.08592	16.1
121.10131	17.9
123.08075	2.7
123.11715	5.3
125.09628	13.4
127.03904	1.2
129.05476	1.6
131.08592	9.0
133.10120	7.9
135.11696	13.2
137.09648	2.6
137.13208	1.3
139.11150	1.4
143.08527	2.0
143.10635	2.7
145.10141	9.7
147.11693	7.2
149.13225	5.7
153.12743	2.0
155.08641	1.3
155.10640	4.7
157.10114	1.7
159.11697	5.0
161.13232	3.6
162.96927	1.5
163.11201	5.9
163.14795	3.1
173.09589	1.6
173.10338	1.3
173.11736	13.2
173.13283	5.0
175.14771	1.4
177.16388	1.5
181.12318	3.0
184.07312	2.0
187.14793	1.9
191.10674	2.6
193.12167	3.2
199.13295	6.0
209.11742	5.7
227.12718	6.2
229.14374	47.6
243.21089	5.4
244.24483	1.2
255.31299	1.2
259.20505	1.5
261.22144	16.0
267.15948	3.4
275.00711	1.3
283.15308	1.7
283.96472	1.2
299.23669	1.6
300.13617	1.5
301.16516	15.1
312.76865	1.5
317.24881	2.3
319.49390	1.3
327.23138	2.0
335.25815	94.8
336.26306	1.7
342.30972	1.7
375.78555	1.4
381.61429	1.5
399.23749	12.3
477.35669	7.5
489.35870	23.9
543.36682	2.6
561.37958	7.7
579.38672	2.9
633.18689	1.4
659.34235	1.5
659.45215	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	856.5412
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02916	3.5
65.03938	6.7
67.05508	100.0
68.05819	2.2
69.03416	10.3
69.07072	52.4
71.04989	8.2
71.08633	5.3
71.53403	2.3
73.02917	3.0
77.03961	2.6
79.05494	90.9
79.35629	2.2
81.03415	12.5
81.07061	99.9
82.07405	2.9
83.04986	16.8
83.08614	19.1
85.02895	8.5
85.06541	3.7
86.09704	4.5
91.03950	2.4
91.05484	97.3
92.05795	4.7
93.07044	81.8
95.04977	17.7
95.08612	59.8
97.02868	7.2
97.06525	19.6
97.10171	15.6
98.05951	1.9
99.08103	7.1
103.05462	5.7
105.04535	2.4
105.07034	72.3
106.07352	3.1
107.04973	13.1
107.08599	58.0
108.08907	2.3
109.06506	9.7
109.10158	34.1
111.04418	3.1
111.08087	6.3
113.06047	2.4
113.09634	2.3
117.07015	31.3
119.08578	51.6
121.06510	12.9
121.10133	25.0
123.08052	7.1
123.11703	8.9
125.00057	2.8
125.09621	15.6
127.03934	3.3
128.06232	3.5
129.05536	2.5
129.07030	18.2
131.08575	37.4
133.06479	3.6
133.10130	52.5
134.10471	4.1
135.08049	9.2
135.11685	15.0
137.09656	5.9
139.11098	2.7
141.06978	5.4
142.07762	2.9
143.08600	17.0
145.06563	2.8
145.10135	35.5
147.08052	4.0
147.11696	24.7
149.09637	18.2
149.13281	10.4
151.11176	8.9
155.08568	9.4
156.09135	2.1
157.10100	14.6
159.11674	21.7
161.09630	4.8
161.13240	11.7
163.11182	11.6
165.09134	2.1
165.12727	3.2
167.08524	2.6
169.10118	10.1
171.08031	2.3
171.10345	3.4
171.11586	11.2
173.11963	2.3
173.13310	12.5
175.11095	2.3
175.14850	2.5
177.12689	5.5
179.08511	2.5
179.14322	6.0
181.10104	4.6
183.11708	9.1
184.07312	13.6
185.13237	7.1
187.11174	3.7
187.14766	2.3
189.11232	7.6
195.11815	5.1
195.13799	7.9
197.13306	6.6
199.14848	6.5
203.14336	2.8
205.11864	2.2
209.13345	3.4
211.14766	3.5
219.13979	3.0
223.12978	3.1
223.14944	4.5
227.12720	15.3
227.17967	2.4
229.14304	4.5
229.19487	3.6
239.17949	5.2
241.19539	4.4
253.14270	9.9
254.14694	4.5
257.19034	9.7
259.20651	16.8
267.15894	3.1
269.17416	16.4
273.18527	6.6
274.19016	3.1
275.20044	35.1
277.21109	2.9
291.19522	21.2
293.20999	17.5
315.23264	4.0
331.22565	4.4
333.24329	14.1
335.25861	3.3
349.23691	23.0
350.24112	3.6
351.25189	4.2
365.23047	12.3
366.23135	2.2
367.24500	6.4
435.22293	2.1
435.32492	3.4
463.30701	5.2
463.63904	2.4
513.35822	15.2
525.35541	2.6
527.37360	14.0
543.36768	4.3
547.35382	3.0
559.36517	13.2
561.37665	5.6
607.43250	8.6
623.42676	3.7
625.44904	11.1
641.43781	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	855.4331
Annotation	Unknow
Peak:m/z	Relative Intensity
59.73902	1.3
60.04517	2.7
61.02929	3.1
67.05510	37.4
68.05025	3.3
69.03422	3.6
69.07078	6.8
70.02958	15.2
70.06602	10.1
71.01337	1.7
71.04991	5.7
71.52736	1.2
71.53104	1.3
72.04522	27.6
73.01793	1.0
73.02899	3.0
74.02444	13.0
79.05070	1.5
79.05499	21.4
80.05035	5.3
81.03423	48.9
81.07059	20.6
82.02950	24.2
82.06588	2.6
83.04984	8.3
83.08620	14.1
84.04049	1.9
84.04511	26.3
84.08146	3.6
85.02905	7.8
85.06543	2.5
86.02412	3.8
86.06086	1.3
87.04491	10.8
87.05595	52.9
88.04014	6.9
89.07188	1.3
91.03955	1.2
91.05484	19.8
93.07055	19.1
94.04192	1.3
94.06581	1.8
94.83573	1.0
95.04979	19.1
95.07363	1.2
95.08604	11.4
96.04490	26.2
96.08111	2.7
97.02891	12.5
97.06539	7.8
97.07606	1.4
97.10166	11.1
98.06078	7.9
99.00805	3.5
99.04453	4.8
99.05531	2.4
99.08108	1.2
100.03979	24.5
101.07165	6.4
102.05533	2.5
103.03897	1.2
103.05484	1.9
105.03429	1.2
105.07042	12.7
107.04959	7.7
107.08620	10.5
108.04475	3.2
108.08108	1.7
109.03004	1.3
109.06516	3.9
109.09473	1.6
109.10163	21.0
110.02405	7.4
110.06035	3.5
111.04435	3.6
111.08071	5.6
112.03960	3.5
113.07114	5.2
114.01898	2.2
114.05544	20.7
116.03497	5.7
117.06982	4.2
119.04972	2.3
119.08591	15.2
120.08063	1.4
121.06511	6.7
121.10144	10.5
122.06006	2.9
122.09698	1.5
123.04439	5.5
123.05477	1.1
123.08079	4.2
123.11736	1.8
124.03963	16.1
125.09644	7.3
126.05542	2.7
126.12769	2.0
127.03882	1.7
127.08645	4.1
128.03450	26.4
129.05501	1.4
129.07034	7.3
130.04985	1.6
131.04613	1.9
131.08574	8.4
133.06090	89.4
133.10086	5.4
135.04411	3.3
135.08029	3.9
135.11693	3.9
136.03932	3.0
137.05974	2.1
137.09639	4.1
138.01964	1.1
138.12737	1.7
139.03911	2.7
140.03381	1.3
141.06546	7.1
142.04991	23.2
142.07805	1.8
143.08504	1.8
145.02901	1.2
145.06068	15.2
145.10159	5.4
147.04416	2.6
147.08003	5.2
147.11711	6.0
148.11208	1.6
149.05956	1.2
149.09602	9.6
151.03917	1.5
151.11139	1.3
153.09088	2.7
153.12732	3.0
154.04997	2.8
154.12236	1.9
155.10606	1.5
156.02921	6.0
157.10138	8.9
159.07663	6.7
161.05974	2.5
161.09682	1.7
162.12808	1.7
163.03928	4.3
163.11174	6.2
164.10689	1.3
165.09077	1.7
165.12758	1.3
166.12312	2.7
167.07014	1.3
167.10565	1.7
167.11804	4.0
170.04526	11.7
171.07840	1.9
173.05632	3.5
173.09621	2.0
173.11746	3.9
175.03851	2.0
175.11211	6.9
177.05478	1.5
178.12209	1.3
180.13829	1.7
181.12222	1.7
182.04443	1.8
187.07152	100.0
189.09166	1.8
189.11237	5.1
190.12263	2.6
191.10707	3.3
192.13994	1.2
193.12225	18.7
194.11757	7.4
195.41190	1.0
199.07245	3.2
199.13255	2.1
203.03349	1.3
206.11801	5.2
207.06537	1.4
208.13333	4.3
209.11792	3.4
210.14893	6.5
211.13310	8.8
212.12965	1.9
217.08215	4.0
218.11792	2.0
219.13831	1.3
220.13330	1.9
223.13493	1.3
224.12901	1.3
225.14897	3.4
227.12814	8.8
229.14352	15.7
234.11220	4.2
234.14923	2.0
236.12814	7.7
244.81729	1.4
247.13420	1.6
249.14912	2.7
251.13994	3.3
252.12253	1.7
254.13887	17.7
257.04425	1.9
259.09613	1.4
260.12833	1.1
262.10721	3.0
265.14343	1.9
267.15936	34.4
268.15625	1.8
273.14819	1.3
283.15518	3.4
296.14868	1.9
310.16437	5.8
311.36246	1.3
328.17392	2.1
341.17343	1.6
354.15448	1.4
355.22552	2.5
357.20511	2.1
365.21075	2.4
373.23560	1.4
383.22046	8.7
386.55762	1.1
391.20792	1.5
401.23285	4.2
419.24170	1.8
421.25931	7.0
431.24280	4.4
433.26193	2.0
449.25381	5.8
450.25729	1.6
457.25797	2.1
459.27362	1.7
475.27057	7.4
493.28070	3.1
507.29654	6.0
520.30615	5.4
525.30255	2.0
538.32288	1.5
545.30859	3.5
546.26855	2.0
553.31042	4.4
564.29633	1.9
581.30975	4.6
582.31610	6.1
583.31958	3.1
599.31744	28.3
607.32184	3.6
625.33508	10.3
643.34393	79.1
644.35150	1.5
675.36389	2.2
688.39526	1.4
761.37000	3.3
785.80750	1.4
787.37860	4.4
805.39636	24.9
855.26617	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	855.4335
Annotation	Unknow
Peak:m/z	Relative Intensity
60.04502	3.1
61.02907	2.9
65.03947	2.5
67.05505	37.2
68.05016	2.7
69.03413	4.4
69.07071	7.5
70.02955	15.5
70.06604	8.0
71.04998	5.0
71.52288	1.0
71.52638	1.6
72.04517	30.2
72.08148	1.1
73.02922	2.0
74.02446	12.3
79.05490	24.2
80.05024	7.0
80.37964	1.0
81.03419	46.7
81.06604	1.2
81.07056	19.6
82.02937	20.8
82.06566	2.5
83.04986	9.0
83.08619	15.1
84.04507	24.1
84.08122	1.1
85.02913	6.5
85.06512	2.8
86.02411	3.5
86.06054	2.0
87.04475	10.1
87.05591	50.7
88.03988	6.8
89.07132	1.2
91.03915	1.9
91.05474	20.3
93.07040	16.2
94.04133	0.9
94.06566	2.3
95.04974	16.6
95.08613	8.2
96.03905	1.4
96.04493	21.1
97.02897	9.3
97.06532	10.6
97.07575	1.5
97.10169	10.6
98.02374	1.1
98.06064	8.0
99.00803	2.9
99.04437	3.8
99.05560	2.3
99.08076	1.6
100.03377	1.8
100.03979	23.7
101.07150	9.5
103.05446	1.3
105.07031	13.6
107.04972	7.6
107.08601	10.4
108.04459	4.3
109.02859	1.0
109.06514	3.8
109.10162	20.2
110.02406	7.6
110.06042	3.1
110.09641	2.1
111.04441	3.6
111.08082	5.7
112.03952	4.2
113.07110	5.3
114.01937	1.6
114.05531	21.1
115.05447	2.2
116.03458	6.2
117.06985	3.8
119.04947	1.3
119.08569	13.2
121.02836	1.8
121.06531	5.0
121.10158	9.1
122.06007	2.2
122.09594	1.2
123.04405	2.8
123.08051	3.5
124.03957	16.3
124.07529	1.4
125.05982	1.2
125.09628	8.9
126.05502	3.6
126.12759	1.6
127.03901	2.5
127.08633	3.7
128.03444	23.9
128.06250	1.1
129.05519	1.4
129.07033	6.2
130.04964	1.1
131.04462	1.1
131.07924	0.8
131.08580	9.0
133.06084	100.0
133.10118	4.9
135.04408	3.7
135.08026	3.0
135.11650	2.9
136.03914	2.6
136.07587	1.7
137.05954	2.5
137.09593	4.4
138.05444	1.9
139.03853	2.9
139.11183	1.2
140.03511	1.5
141.06583	7.7
142.04996	22.1
142.07762	1.8
143.08298	2.1
145.06065	15.1
145.10089	4.7
147.04398	3.0
147.08003	4.6
147.11682	5.5
148.11131	1.4
149.05925	1.1
149.09636	9.0
150.07791	1.1
153.09105	2.0
153.12723	1.7
154.04991	3.8
154.10960	1.8
154.12206	2.7
155.10631	1.1
156.02904	6.2
157.10120	6.2
159.07671	7.2
159.11696	1.9
161.05949	1.2
161.09589	1.8
162.12732	1.1
163.03885	5.3
163.07521	1.2
163.11171	6.5
164.10707	2.7
165.09077	2.3
165.12741	1.8
166.12241	4.3
167.07016	1.3
167.10588	1.4
167.11823	2.7
170.04478	14.1
171.07758	1.5
171.11662	1.1
172.13242	1.2
173.05612	1.8
173.09552	1.7
173.11699	5.7
175.03865	1.2
175.11156	7.4
177.05472	1.8
178.12202	2.5
181.12230	1.9
182.04532	1.4
182.11685	1.4
184.07379	1.2
184.13309	1.7
185.13239	1.1
187.07143	94.5
189.09134	1.4
189.11221	3.6
191.10664	3.3
193.12221	17.9
194.11668	6.9
199.07159	2.7
199.13243	2.2
205.12177	2.4
206.11746	4.7
207.06499	1.4
208.13316	4.1
209.11722	4.1
210.14890	7.3
211.13264	8.1
212.12819	2.1
217.08243	2.5
217.12219	1.2
218.11740	1.9
219.13763	1.6
224.12787	2.0
225.14749	2.3
227.12801	5.4
228.16043	1.3
229.14331	12.3
229.70041	1.1
231.13901	1.7
234.11211	2.4
234.14771	1.7
236.12851	6.3
247.13297	2.5
249.14882	3.7
250.14485	1.8
251.13855	4.0
252.14549	1.3
253.15323	1.3
254.13876	14.9
259.13208	1.2
262.10614	1.3
262.14368	1.2
267.15921	32.4
268.15366	2.1
269.77679	1.1
280.11786	1.3
283.15536	6.5
289.14575	1.5
296.14825	2.0
301.14401	1.3
310.16458	7.6
323.15710	1.5
328.17450	3.7
337.21603	1.4
354.15622	2.4
355.22504	1.9
361.19543	1.5
365.21042	2.1
371.18463	1.4
383.22098	5.5
401.23105	3.2
409.25793	1.8
421.25793	8.3
431.24460	2.2
447.27100	1.1
449.25537	6.7
450.26071	1.9
457.25549	2.8
459.27298	1.2
475.27008	6.5
493.28195	2.1
507.29443	4.2
519.29810	1.5
520.30762	4.6
525.30353	2.2
538.31775	1.6
545.30798	2.2
546.27740	1.2
553.31390	5.9
564.30328	2.0
581.30859	3.8
582.31525	7.2
583.32416	1.5
599.31769	29.9
607.32312	2.1
625.33191	8.6
643.34387	73.3
644.34058	2.8
649.35797	2.0
675.35815	2.0
761.36841	3.3
787.37817	3.3
805.39636	19.3
837.41791	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	854.5262
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03939	4.2
67.05508	78.2
69.03432	8.2
69.07072	31.9
71.04999	9.8
71.08625	1.2
71.37718	1.5
73.02914	1.9
73.61893	1.3
79.05496	56.6
81.03428	13.2
81.07061	89.8
82.71543	1.3
83.04990	16.5
83.08621	10.9
85.02900	3.4
85.06550	7.7
86.09737	1.7
87.04456	1.3
89.06053	1.4
91.05484	73.8
93.07047	63.7
95.01276	1.3
95.04963	18.6
95.08611	39.6
97.02884	3.1
97.06532	16.7
97.10165	5.6
99.04424	3.3
99.08090	3.2
103.05486	2.3
103.19166	1.3
105.04525	2.0
105.07037	63.6
107.04970	11.7
107.07872	2.6
107.08596	50.9
109.02886	1.7
109.06522	12.4
109.10159	48.0
111.04473	2.3
111.08098	5.8
113.06020	2.3
114.73401	1.1
115.05460	3.5
116.06331	1.3
117.07021	18.0
119.04933	1.1
119.08588	29.2
121.06513	10.8
121.10158	17.2
123.04424	2.0
123.08048	5.4
123.11721	10.3
125.05981	1.2
125.09602	4.5
127.03936	2.7
127.07537	2.9
128.06192	2.2
129.05486	1.4
129.07018	8.5
130.07791	1.3
131.08577	23.3
133.06476	4.9
133.10138	72.6
135.08047	9.7
135.11726	11.5
137.09573	3.7
139.11166	1.9
141.06964	2.5
142.07841	1.4
143.08568	7.1
145.06483	2.1
145.10127	14.9
147.08057	4.3
147.11690	13.7
149.09627	16.7
149.13249	6.5
151.11185	29.6
155.08574	3.9
157.10091	6.5
159.08014	2.9
159.11696	13.2
161.09601	9.3
161.13260	7.1
163.11189	10.6
165.09074	1.7
165.12749	1.9
169.10158	2.3
169.12198	5.8
171.11676	6.2
173.04440	1.4
173.09627	3.8
173.13306	6.0
175.11206	3.5
177.09068	1.3
177.12764	3.3
179.10666	1.7
179.14267	3.1
181.10063	1.4
181.12331	1.9
183.11641	2.8
184.07381	2.3
185.09714	1.3
185.13193	1.5
187.11119	1.9
189.11150	1.6
189.12791	2.9
195.13794	3.4
197.13344	1.9
198.13939	1.2
201.12746	2.5
215.12785	4.2
227.12772	4.6
227.17990	1.6
229.19530	2.3
239.17889	3.2
245.18916	4.7
247.20563	2.7
249.14932	1.3
253.14362	100.0
254.14546	1.2
255.15564	5.7
257.19052	7.2
263.20004	4.9
267.15778	1.3
269.17468	14.6
271.15439	2.7
273.18530	25.1
275.20065	27.2
291.19574	25.9
291.22760	1.1
293.20801	2.1
309.20563	2.6
329.21210	1.5
331.22729	1.8
335.26297	1.5
347.22092	9.1
349.23730	20.6
365.23251	29.1
367.24823	2.5
447.27289	5.1
451.26758	3.1
465.28452	12.5
527.33685	3.9
541.35211	8.0
545.34760	27.8
559.36334	42.2
621.41095	3.5
626.25836	1.5
639.42706	15.6
657.43317	5.4
682.31702	1.5
693.14105	1.2
769.78418	1.4
785.28290	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	854.526
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02905	3.3
64.64179	0.8
65.03943	4.1
67.05503	66.1
68.05827	0.8
69.03427	11.3
69.07066	41.3
70.85755	1.3
70.86086	1.3
71.04999	5.9
73.02907	1.1
75.74986	0.7
76.89115	0.8
77.03964	1.0
79.05492	49.9
81.03420	14.3
81.07055	67.5
83.04984	11.7
83.08620	15.4
85.02893	3.0
85.06528	4.2
91.05479	47.9
93.07040	48.8
95.01288	1.0
95.04970	12.8
95.08604	26.8
97.02892	10.7
97.06527	13.3
97.10165	14.9
99.04434	1.6
99.08104	2.3
101.02433	0.9
103.05435	2.0
105.04497	1.2
105.07030	38.3
107.04951	13.5
107.08591	34.7
109.02881	2.8
109.06522	7.1
109.10159	20.6
111.04430	1.7
111.08098	4.8
113.05997	1.0
115.05437	2.0
116.06259	1.0
116.71740	0.8
117.07015	14.7
119.04961	1.4
119.08582	24.7
121.06504	8.5
121.10136	15.6
123.04427	1.2
123.08067	6.7
123.11691	4.0
124.25988	0.7
125.09624	11.2
126.79871	0.8
127.03918	1.7
127.07535	1.2
128.06175	1.0
128.87285	0.8
129.05486	1.1
129.07027	6.5
130.07751	1.8
131.08571	21.6
133.06487	5.4
133.10132	27.9
135.08057	8.6
135.11694	10.2
137.09636	4.6
139.07523	1.0
139.11157	1.4
140.90579	0.9
141.06982	2.2
142.07693	1.5
142.68658	0.9
143.08571	7.3
144.09358	1.1
145.06473	1.5
145.10110	15.0
147.08078	9.0
147.11662	9.4
149.09608	11.4
149.13239	9.9
151.11186	8.4
154.07724	1.0
155.08549	2.9
157.10074	4.9
159.08041	2.4
159.11697	11.2
161.09605	5.6
161.13240	3.3
163.07532	1.0
163.11215	6.4
163.14923	1.1
165.09109	2.3
165.12753	1.3
167.15443	0.8
169.10146	2.9
169.12247	1.7
171.10219	1.8
171.11714	3.8
173.04456	1.7
173.09615	1.4
173.11945	0.9
173.13234	4.5
175.11110	4.7
175.14729	0.9
177.12732	5.1
179.10632	1.1
179.14319	2.3
181.10089	1.6
181.12300	0.8
183.11699	1.5
184.07246	1.9
185.09599	1.1
185.13258	2.2
187.11169	1.0
187.14854	1.7
189.11189	5.3
189.12740	1.9
193.12262	2.0
195.12012	1.2
195.13750	6.1
197.13226	2.4
199.11183	2.0
199.14777	0.9
205.12193	2.3
211.13286	1.0
213.12828	0.8
213.16452	0.9
215.18073	1.2
217.15686	1.1
223.13289	18.6
227.12718	10.8
229.19398	1.5
231.13785	1.0
235.16937	1.2
239.17969	1.3
245.13644	1.1
245.18947	2.7
247.20517	1.1
249.14932	3.9
251.16580	1.0
253.14365	17.6
255.15631	5.5
257.19016	6.8
263.20062	1.3
267.15933	2.4
269.14563	1.1
269.17471	26.4
273.18494	22.0
275.20047	17.8
291.19531	100.0
292.19589	1.2
293.21021	2.6
309.20630	1.3
313.21460	0.9
321.16644	1.1
331.22610	1.2
347.22232	5.6
349.23688	17.9
365.23224	51.4
367.24792	3.1
382.75903	0.8
413.21472	2.1
439.27008	1.0
461.28491	1.4
465.28296	2.3
479.29980	1.4
519.33484	1.3
527.33575	1.5
541.35626	5.3
543.35925	0.9
545.26996	1.4
545.34766	20.2
557.34314	1.1
559.36285	81.5
560.35919	1.9
599.39447	1.3
621.41095	2.0
639.42603	21.7
640.42151	0.9
643.88031	1.0
657.43329	5.0
703.39673	1.7
854.45282	4.1
855.43475	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	854.5261
Annotation	Unknow
Peak:m/z	Relative Intensity
62.06149	0.7
65.03937	3.4
67.05505	44.4
69.03080	1.3
69.03425	11.5
69.07068	35.8
70.02231	2.0
71.04975	3.7
71.08627	1.0
73.02909	1.1
77.03917	1.2
77.81877	0.8
79.05494	39.1
81.02969	1.3
81.03419	9.7
81.07059	49.2
83.04983	9.3
83.08618	13.8
85.02895	2.9
85.06530	2.2
91.05478	31.8
93.07045	38.2
95.04966	12.8
95.08608	21.4
97.02888	11.6
97.06528	11.6
97.10168	16.2
99.04451	1.4
99.08092	1.7
103.05483	1.6
105.04551	1.2
105.07029	27.9
107.04961	10.1
107.08588	27.7
109.02869	1.4
109.06537	5.6
109.10156	13.8
111.04447	1.4
111.08069	3.6
113.06004	1.0
113.09696	0.8
115.05436	1.9
117.07024	12.6
119.04922	0.9
119.08585	19.8
121.06515	5.5
121.10143	12.7
123.08120	5.4
123.11705	3.0
125.09639	13.7
127.03925	2.7
128.06215	1.8
129.05464	1.4
129.06998	6.8
130.07787	1.4
131.08568	17.8
133.06491	3.8
133.10136	18.4
135.08072	5.5
135.11693	9.5
137.09601	3.5
139.11197	1.0
141.07021	1.7
143.08580	5.8
145.06416	1.6
145.10112	14.1
147.08046	5.9
147.11714	7.2
149.09645	7.0
149.13263	7.7
151.07649	0.8
151.11192	4.0
153.09152	1.7
155.08617	1.3
157.10124	4.6
159.08067	1.3
159.11710	8.5
161.09627	3.5
161.13295	4.0
163.11217	6.3
165.09123	1.3
165.12709	1.1
169.10168	1.9
169.12245	1.1
171.10258	1.5
171.11703	2.3
173.04440	1.0
173.09689	1.5
173.13240	3.2
175.11189	3.6
177.12772	2.4
179.14293	2.1
181.12166	0.9
183.11697	1.2
184.07332	1.0
185.13274	1.6
187.11140	1.1
187.14876	1.0
189.11256	6.7
189.12711	1.8
193.12332	1.5
195.11906	1.1
195.13818	4.3
195.30814	0.8
197.13181	1.2
199.14842	1.4
205.12257	2.4
215.17941	0.9
217.15706	0.9
222.19017	0.9
223.13292	20.5
227.12766	13.9
229.14302	0.9
229.19452	1.8
233.15324	1.2
237.16370	1.0
239.18024	1.2
245.19067	1.7
247.20622	1.6
249.14880	3.5
251.16489	1.3
253.14360	4.9
255.15733	5.1
257.19043	5.6
263.19894	1.0
267.15930	2.5
269.14865	1.5
269.17477	16.9
273.18494	16.2
275.20068	21.8
291.19531	100.0
292.19708	1.2
293.20914	1.5
309.20709	1.7
321.24109	1.0
331.22641	2.2
347.22095	3.6
349.23752	21.7
365.23221	45.0
367.24673	2.9
413.21640	1.5
423.23932	0.9
461.29199	1.9
519.33142	1.9
527.33783	1.7
535.32446	1.2
541.35034	3.3
545.34644	16.5
559.36292	58.7
560.36584	2.0
621.41052	3.0
639.42548	26.8
657.44019	4.5
679.36633	1.0
703.40607	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	854.4736
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02921	4.3
65.03934	5.4
67.05508	100.0
69.03428	15.1
69.07070	41.7
69.94882	4.4
70.06570	1.4
71.01349	4.5
71.04993	25.1
73.02911	6.6
77.03919	1.3
79.05495	55.1
80.06290	1.8
81.03423	29.1
81.07058	56.7
83.04975	13.0
83.08627	17.5
84.02105	3.2
84.08845	1.2
85.02905	12.2
85.06548	7.4
86.09709	1.6
87.04472	33.2
91.03944	2.0
91.05482	47.1
93.07043	41.9
94.07819	1.3
95.04963	21.5
95.08602	20.4
96.05751	1.4
97.02891	10.0
97.06532	45.0
97.10175	18.7
98.20764	1.4
99.04459	14.8
99.08093	3.1
101.02369	1.2
103.05473	4.1
105.04522	1.9
105.06392	2.3
105.07039	24.0
107.04964	7.2
107.08593	20.9
109.02889	2.4
109.06526	13.0
109.10160	50.0
111.04413	5.8
111.08096	7.9
113.06013	1.9
115.05447	1.5
115.07574	18.6
116.04765	1.9
117.07021	8.7
119.08588	18.8
121.06499	8.0
121.10143	11.7
122.10996	1.2
123.04438	4.2
123.08062	6.5
123.11704	4.6
125.09631	15.9
127.03931	2.4
127.07564	2.4
128.06175	1.7
129.05479	5.7
129.07018	6.7
130.07703	1.5
131.07040	2.4
131.08560	14.3
133.06491	3.2
133.10133	13.0
135.08109	7.0
135.11717	10.2
137.09627	4.9
138.01141	1.4
139.07533	4.1
139.11156	2.0
142.07841	1.6
143.07036	2.7
143.08508	3.5
145.10101	7.4
147.08011	4.5
147.11702	10.1
149.09607	5.8
149.13284	6.4
151.11148	4.5
153.12773	2.0
155.10695	6.4
157.08676	1.3
157.10133	3.0
159.11693	5.1
161.09641	1.7
163.11176	7.3
165.09106	1.5
173.04504	1.7
173.09567	2.7
173.10327	1.4
173.11774	16.8
173.13206	2.4
175.11179	4.1
177.09169	1.6
177.12769	3.6
181.12297	2.6
183.11742	2.4
185.13264	2.0
187.11256	2.3
187.13310	1.3
189.11272	2.8
191.10587	2.4
193.12225	7.5
194.12973	2.2
195.13861	4.0
199.13264	8.1
199.14821	1.3
201.12852	2.0
209.11749	2.8
211.13280	2.2
217.14221	2.2
219.13921	1.7
223.13286	3.0
227.12794	5.5
229.14346	38.4
233.15436	1.7
241.14349	3.8
243.15936	4.1
249.14778	1.6
253.14308	1.3
255.15866	2.4
259.15485	1.6
267.15967	15.4
268.16721	7.6
269.17505	14.9
273.18530	4.5
275.20099	2.3
283.15393	1.9
289.17850	2.2
291.19611	1.7
297.16974	1.5
301.16495	2.8
307.18918	1.6
315.18179	2.8
383.24316	3.7
397.25827	2.0
421.25864	3.0
422.26685	10.3
423.27408	14.3
461.28964	2.2
463.30759	2.1
477.28510	2.1
495.29492	4.3
509.31097	2.0
513.31226	1.3
519.33112	1.3
527.31903	2.7
537.80035	1.4
541.34998	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	854.4724
Annotation	Unknow
Peak:m/z	Relative Intensity
59.85844	0.9
61.02915	2.0
65.03936	3.8
67.05505	100.0
69.03423	6.7
69.07066	12.6
69.82220	4.5
71.01361	1.6
71.04998	8.4
73.02914	3.5
73.41821	0.9
79.05495	26.1
81.03416	14.8
81.06588	2.0
81.07059	34.4
83.04981	9.4
83.08614	17.0
85.02898	11.0
85.06529	3.9
85.36288	0.9
87.03920	2.0
87.04467	42.1
91.05479	19.6
93.07053	15.3
95.04971	7.7
95.08604	13.7
97.02887	5.8
97.06535	6.0
97.10171	19.2
99.04449	11.6
101.05991	1.7
103.03971	1.2
105.04525	1.2
105.07034	11.8
107.04929	3.6
107.08607	14.4
109.06517	3.9
109.10152	91.2
111.04448	2.6
111.08096	5.6
113.64153	1.0
115.03873	1.2
115.05454	1.1
117.07012	5.6
119.08582	13.5
121.06489	3.5
121.10158	6.5
123.04448	1.0
123.08021	2.3
123.11720	1.7
125.09635	17.5
127.03862	1.4
127.11165	1.7
129.05437	3.0
129.06998	3.8
131.08549	7.2
133.10117	2.6
135.08020	1.7
135.11687	3.8
137.09602	5.6
143.08557	4.3
143.10663	1.7
145.10120	6.3
147.08052	1.8
147.11696	2.8
149.09637	3.0
153.12733	2.1
155.08530	1.5
155.10635	8.1
157.10110	1.9
159.08075	1.3
159.11690	2.6
163.11185	8.0
166.70607	1.0
171.11591	1.4
173.04420	1.2
173.09627	2.4
173.11739	30.3
175.11165	1.1
181.12274	2.7
183.11757	1.4
184.07382	1.3
186.13435	1.2
189.11258	2.3
191.10722	2.5
193.12196	4.8
195.11685	1.3
199.13303	11.5
209.11700	5.2
211.13258	2.5
227.12805	6.6
229.14342	69.4
241.14363	2.4
257.13821	3.7
267.15881	3.4
269.17444	2.0
273.18405	3.9
275.20221	2.3
283.15338	3.7
291.19528	2.1
301.16498	7.0
315.17905	3.2
347.22214	1.9
349.23621	2.8
353.22964	2.1
371.24231	5.3
383.24280	25.5
399.23813	8.6
407.23758	1.0
455.26440	3.7
469.27533	1.1
523.34546	1.1
541.34155	8.1
553.33734	41.1
574.89026	1.0
621.41351	2.8
639.42767	1.1
657.38257	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	854.474
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02937	2.3
64.61730	0.7
65.03923	3.4
67.05506	100.0
69.03437	7.3
69.07066	11.4
71.01361	1.6
71.04998	9.4
73.02913	3.6
78.71960	0.6
79.05492	21.0
81.03044	0.4
81.03418	13.2
81.07059	27.3
81.84659	0.6
83.01353	1.1
83.04984	7.9
83.08617	14.0
85.02906	11.2
85.06554	4.4
87.04470	40.6
89.06893	0.7
91.03967	0.8
91.05479	15.5
93.07052	10.4
95.04974	5.7
95.08605	13.3
97.02892	4.8
97.06514	5.0
97.10171	17.2
98.21635	1.3
99.04450	10.0
99.08109	1.0
103.03952	0.8
105.07036	4.9
107.04942	3.3
107.08598	11.1
109.02860	1.4
109.06547	4.1
109.10159	87.8
111.04446	2.6
111.08065	6.2
113.06052	0.6
115.03888	1.0
116.04739	1.2
117.07001	3.2
119.08585	11.5
120.08863	0.8
121.06496	1.5
121.10165	4.9
123.04428	0.7
123.08064	2.1
125.09636	18.2
127.03932	1.3
127.11208	0.6
129.05467	2.4
129.06985	2.0
131.08554	3.2
133.06444	0.6
133.10129	1.9
135.08041	1.5
135.11661	3.4
137.09625	5.8
139.07549	0.8
139.11290	0.6
143.10677	2.9
145.10133	5.3
147.08072	1.0
147.11705	2.1
149.09627	1.9
153.09007	0.7
153.12724	2.2
155.08603	0.7
155.10654	8.2
157.08618	1.4
157.10110	2.0
163.11182	6.6
171.06514	1.1
171.10136	1.1
173.09579	1.2
173.11748	31.0
175.11163	1.0
181.12221	2.6
189.11276	0.7
191.10623	1.6
193.12233	3.1
199.13313	10.0
209.11719	6.2
211.13266	1.9
217.14334	1.2
223.13289	1.0
227.12802	4.6
229.14349	68.2
241.14244	1.7
255.15909	1.1
257.13803	3.9
265.14380	0.9
266.27274	0.7
267.15924	3.2
283.15518	3.4
283.18423	1.1
295.08127	0.7
301.16525	6.2
315.17908	2.8
353.23087	2.5
371.24268	6.1
383.24265	27.7
399.23688	6.2
421.25510	1.1
427.23264	0.9
437.25427	0.7
455.26355	3.5
491.60831	0.9
541.33868	5.6
553.33789	28.5
559.31018	1.0
657.38055	0.7
865.27936	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	854.4741
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02923	3.2
61.60419	0.7
65.03940	2.9
67.03301	0.7
67.05506	100.0
68.02674	0.7
68.24138	0.7
69.03434	6.3
69.07076	12.1
71.01355	1.3
71.04992	13.7
71.83314	0.7
73.02923	2.8
79.05495	28.1
81.03418	13.9
81.07057	30.6
83.04980	10.4
83.08619	17.0
85.02908	13.0
85.06543	4.2
87.04469	31.3
91.03949	1.9
91.05481	17.4
91.06021	1.4
93.07043	14.3
95.04953	7.7
95.08610	14.5
95.09173	1.2
97.02882	6.2
97.06529	5.2
97.10171	24.0
99.04454	17.7
99.08121	1.4
101.06048	1.5
103.03997	1.5
105.07032	6.8
107.04954	4.1
107.08598	15.3
109.02895	1.1
109.06508	5.2
109.10158	82.2
111.04436	4.5
111.08080	5.7
113.06027	1.2
115.03894	0.8
116.04731	1.2
117.05540	1.0
117.06989	3.9
119.08578	12.5
119.09371	1.1
121.06554	2.7
121.10155	5.0
123.04440	1.9
123.08109	2.6
123.11720	0.9
125.09635	25.6
127.03952	1.5
127.11205	1.3
129.05490	4.4
129.07025	2.5
131.08542	5.6
133.10144	1.7
135.08075	1.6
135.11708	3.2
137.09596	5.0
139.07564	0.7
141.09093	0.8
143.10730	3.0
145.10146	5.8
147.08073	2.0
147.11739	2.1
149.09631	2.9
153.12791	2.5
155.08603	0.8
155.10663	9.3
157.10089	1.5
157.12265	1.1
163.11195	9.3
171.10194	0.7
173.04518	1.3
173.09651	3.1
173.11737	26.7
175.11234	1.3
181.12302	3.1
184.07452	1.0
189.11246	1.8
191.10739	2.7
193.12329	3.2
199.13283	17.6
199.14943	1.2
209.11688	5.6
211.13284	1.8
217.14417	1.1
223.13356	3.1
225.15103	0.9
227.12770	7.7
229.14355	65.3
230.14772	0.8
241.14383	4.6
255.16013	0.8
257.13812	3.7
265.14432	0.9
267.15881	3.5
283.15451	5.1
291.19647	1.1
301.16473	6.6
315.18054	5.9
326.24847	0.8
333.19131	1.5
353.23322	3.1
367.92001	0.9
371.24246	9.5
381.99606	0.8
383.24240	22.3
399.23743	12.5
421.24997	0.8
437.25357	1.6
455.26611	3.4
469.28107	1.3
496.21133	0.8
541.33765	12.0
553.25275	1.1
553.33740	21.3
553.41907	1.4
559.31525	1.0
657.38934	1.4
708.69452	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	852.5106
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03920	0.8
67.05506	20.2
69.03429	8.5
69.07069	22.6
69.07414	0.8
70.06570	0.6
71.04966	1.1
79.05493	18.2
81.03421	5.0
81.07060	16.4
83.04981	3.6
83.08619	6.5
85.02875	1.3
85.06505	0.8
85.25846	0.4
86.09693	0.6
91.05486	14.6
93.07043	14.2
94.04156	0.5
95.01255	0.4
95.04979	6.8
95.08608	8.4
97.02892	7.6
97.06521	2.9
97.10175	10.5
99.04449	0.5
99.08052	0.4
103.05446	0.5
103.15215	0.4
105.03410	0.4
105.04502	0.7
105.07034	11.1
107.04956	6.6
107.08595	10.5
108.05685	0.5
109.02823	0.9
109.06519	2.8
109.09499	0.4
109.10162	6.5
111.04397	0.9
111.08028	1.6
115.05435	0.7
116.06165	0.9
117.07019	6.2
119.04941	0.8
119.08591	11.1
121.06512	2.9
121.09454	0.4
121.10144	4.1
123.04397	0.6
123.08068	3.5
123.11691	0.6
125.05945	0.5
125.09634	7.8
127.03854	0.5
128.06210	0.7
129.07001	3.9
131.08574	7.1
133.06509	2.9
133.10138	4.3
134.07249	1.5
135.08073	3.0
135.11678	2.2
137.09599	1.7
139.11134	0.4
141.06961	0.9
142.07758	0.5
143.08563	2.9
145.06439	1.0
145.10124	4.9
147.08049	4.4
147.11685	3.0
149.09575	1.5
149.13226	1.6
151.11133	0.5
152.00624	0.4
153.09091	1.0
155.08586	0.6
157.10147	2.5
159.08031	0.9
159.11696	2.2
161.09634	2.3
161.13269	0.8
162.10382	0.8
163.11177	1.8
165.09056	1.3
169.10136	0.9
169.12195	0.4
171.10248	0.8
171.11671	1.3
173.09608	0.7
173.11794	0.7
173.13194	0.6
175.11179	2.2
177.12685	1.4
179.10666	0.4
181.10069	1.0
183.11707	0.4
184.07379	0.7
185.13213	0.9
187.11049	0.5
189.11229	3.0
189.12721	0.6
193.12236	0.8
195.13841	1.4
199.11101	0.6
203.10632	0.5
203.14325	0.5
205.12227	1.8
211.13297	0.8
213.14766	0.5
219.13583	0.4
221.11739	0.5
223.13283	16.1
227.12781	5.5
227.17972	0.8
229.25494	0.5
233.15327	0.6
245.18996	1.3
249.14847	4.3
255.17537	0.9
261.15027	0.6
262.15665	0.7
263.20142	0.8
267.15814	1.2
273.18491	14.4
274.18860	0.4
275.20154	0.7
275.24139	0.4
289.17896	1.2
291.19540	100.0
292.19907	1.2
309.20624	1.1
311.17526	0.4
326.89655	0.4
347.22156	2.8
349.23825	0.4
363.21808	1.1
365.23236	51.0
366.23660	0.9
429.01843	0.4
502.15985	0.4
535.32697	0.9
557.34821	3.1
559.37115	0.4
573.34003	0.6
575.35895	1.7
587.35681	0.9
626.46674	0.6
627.42688	0.4
637.41046	3.1
655.42029	49.1
656.42181	1.7
669.46753	0.5
703.68866	0.4
793.44910	0.6
798.83099	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	852.5099
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02919	1.0
65.03920	1.7
67.05507	41.5
67.77130	0.6
69.03426	8.6
69.07069	24.2
71.04988	4.0
71.52415	0.7
79.05495	30.3
81.03419	8.1
81.07056	42.9
83.04977	8.3
83.08619	8.8
84.08128	1.1
85.02888	0.9
85.06521	3.4
86.09671	0.7
91.05482	36.2
92.05814	0.7
93.07044	28.0
95.01340	1.2
95.04966	11.9
95.08064	1.2
95.08616	14.5
97.02883	6.9
97.06517	4.2
97.10179	7.2
99.04469	0.9
99.08099	1.1
103.05476	2.4
105.04505	1.3
105.07030	31.4
107.04301	0.9
107.04944	9.0
107.08598	27.0
108.05705	0.7
109.02892	0.6
109.06528	6.5
109.10158	30.6
110.95339	0.8
111.04417	1.3
111.08063	2.7
113.06001	0.9
115.05458	2.2
117.07031	8.4
119.04950	1.4
119.07796	1.1
119.08583	12.7
120.05711	0.8
121.06510	8.2
121.10142	6.0
123.04437	1.0
123.08096	4.9
123.11713	4.5
125.09621	7.0
127.07565	1.8
128.06207	1.6
129.07014	5.0
130.07764	1.2
130.08658	1.6
131.04929	0.8
131.08572	11.2
133.06508	4.7
133.10130	38.6
134.07294	1.1
135.08035	6.9
135.11690	4.1
137.09587	2.6
139.07597	0.8
141.07021	1.0
142.07727	0.9
143.08517	3.1
145.06473	1.0
145.10135	7.7
147.08055	7.2
147.11716	3.8
149.09624	5.4
149.13246	1.4
151.11182	18.2
155.08592	0.8
157.06476	0.6
157.10118	3.0
159.08134	1.6
159.11696	4.0
161.09644	5.5
161.13255	2.2
163.07475	0.9
163.11162	2.5
165.09152	1.6
169.10126	1.0
169.12250	4.6
171.11740	2.3
173.09499	1.2
173.13208	0.9
175.11230	3.8
177.09151	1.6
177.12741	1.5
179.10727	1.4
181.10004	0.7
181.12239	0.8
183.11691	1.0
184.07367	2.5
185.09593	0.9
185.13210	2.1
187.11079	1.1
189.11212	2.2
189.12747	1.2
193.12267	1.1
195.11803	1.0
195.13705	0.9
203.14281	0.9
205.12277	2.2
206.68629	0.7
215.12810	2.2
223.13289	12.3
227.12735	3.1
227.17975	1.8
237.16510	1.0
245.19029	3.3
249.14793	3.6
251.12775	2.1
253.14351	80.7
254.14691	1.4
255.17407	2.3
261.14676	0.8
263.20074	2.6
267.15878	1.7
273.18494	30.8
283.15295	0.9
291.19543	100.0
292.19949	0.7
297.04944	0.8
309.20523	1.3
339.71558	0.7
347.22177	10.2
365.23236	54.0
423.23975	1.1
475.26920	0.6
525.31555	0.8
543.32953	4.3
557.34668	0.8
559.32361	1.3
561.34210	22.3
573.34387	1.3
575.35364	1.7
637.41003	9.7
655.42096	32.6
656.42737	1.1
673.43591	1.0
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
60.08184	0.2
61.02645	0.4
61.02929	3.9
65.03937	0.6
67.05508	4.1
67.89192	0.2
69.03433	2.1
69.07075	2.4
71.01380	0.5
71.05001	0.5
71.08628	0.3
73.02925	3.2
74.01314	0.2
76.55791	0.2
79.05495	4.0
81.03423	1.8
81.07063	5.0
83.04990	0.7
83.08636	0.8
85.02908	3.9
85.06583	0.4
86.09723	1.1
87.04469	0.3
91.03955	2.7
91.05483	3.9
93.07045	4.3
95.04979	1.0
95.08614	2.5
97.02914	3.9
97.06525	0.6
97.10233	0.3
99.04456	0.6
101.02402	1.1
105.04581	0.4
105.07046	3.3
107.08604	2.6
109.02872	0.5
109.06554	0.5
109.10168	1.1
109.47935	0.2
111.08105	0.4
115.03925	0.3
117.07024	1.3
119.08585	2.4
119.97739	0.2
121.10143	1.6
123.08104	0.3
123.11692	0.4
125.00039	0.6
127.03947	0.9
129.05498	0.5
129.07010	0.5
131.08583	1.4
133.10147	2.0
135.11725	1.4
143.08578	0.7
145.04985	0.4
145.10162	0.8
147.11731	1.3
149.09682	0.5
149.13297	0.6
157.10172	0.4
159.11804	0.6
161.13348	0.3
163.11320	0.3
173.13281	0.6
184.07338	2.9
185.04260	0.8
201.03770	0.4
203.05295	0.3
241.06941	0.3
243.08403	3.4
299.19870	0.3
301.08978	1.4
313.08868	0.5
315.10590	0.9
317.21030	0.5
333.20419	3.2
333.24219	0.4
346.67514	0.3
355.13635	0.3
364.02185	0.3
373.11243	0.7
373.23691	0.7
387.12860	0.3
389.22900	0.6
397.18555	0.4
437.21542	0.3
439.19379	1.4
453.21021	1.3
465.21027	0.7
469.20190	0.3
477.24734	0.4
481.20480	0.3
535.28760	7.2
551.28320	6.4
551.36353	0.5
623.30377	1.3
637.31805	0.4
679.36646	0.3
683.44470	0.5
707.39844	0.3
747.42633	0.4
845.50214	100.0
846.50586	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	845.5017
Annotation	Unknow
Peak:m/z	Relative Intensity
60.08165	0.9
60.18808	0.4
61.02925	4.4
67.05503	5.4
69.03437	3.5
69.07063	2.1
70.29380	1.0
70.29787	0.7
71.01366	0.6
71.04985	0.9
71.07375	0.4
73.02920	3.6
79.05487	3.9
81.03421	1.9
81.07063	5.3
83.04979	0.6
83.08603	0.5
85.02901	4.5
86.09711	6.6
87.04467	0.4
87.10046	0.7
91.03947	2.8
91.05472	3.0
93.07050	4.2
95.04951	1.1
95.08601	3.8
97.02898	5.1
97.06551	2.1
98.98447	1.0
99.04440	0.5
101.02392	1.6
105.07043	1.6
107.08611	1.6
109.02909	0.7
109.06535	0.4
109.10160	1.6
111.04450	0.5
117.07028	0.5
119.08607	1.4
121.10172	1.4
125.00007	4.2
127.03934	1.9
131.08604	1.0
133.10143	1.0
135.11687	0.7
145.10168	0.6
147.11649	0.4
149.13260	0.5
184.07344	18.3
185.04257	0.9
185.07724	1.9
243.08484	2.4
319.18912	0.6
335.25870	0.7
349.19839	6.1
405.22513	1.0
424.33124	0.5
439.19598	1.6
453.21271	1.0
509.25668	0.5
519.29230	4.1
567.27777	4.7
575.68988	0.6
721.97559	0.4
759.42792	0.6
845.50171	100.0
846.50739	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	845.5019
Annotation	Unknow
Peak:m/z	Relative Intensity
60.08162	0.7
61.02932	4.8
67.05505	5.2
69.03087	0.3
69.03435	3.0
69.07072	1.7
71.01370	0.4
71.04998	0.8
73.02915	4.0
79.05491	3.8
81.03411	1.7
81.07062	4.3
83.04984	0.4
83.08607	0.4
85.02905	5.1
85.06557	0.3
86.09705	3.7
87.04517	0.3
87.10062	0.4
91.03958	3.1
91.05474	2.4
93.07047	4.0
95.04987	0.8
95.08613	3.4
97.02895	4.3
97.06543	1.3
97.10157	0.2
98.98481	0.3
99.04488	0.7
101.02383	1.9
103.03959	0.5
104.10745	0.5
105.07007	1.4
107.04964	0.3
107.08588	2.1
109.02896	0.7
109.06556	0.3
109.10162	1.3
115.03889	0.3
117.07042	0.6
119.08583	1.0
119.67306	0.2
121.10155	1.2
123.11741	0.5
125.00006	2.3
127.03912	1.4
129.05492	0.3
131.08563	0.8
133.10144	0.8
135.11697	0.9
137.05782	0.4
145.10159	0.5
147.11728	0.3
149.13292	0.3
159.11754	0.5
161.13303	0.3
174.55412	0.2
184.07346	10.8
184.97989	0.2
185.04297	0.7
185.07718	1.2
203.05325	0.3
221.11636	0.3
243.08383	2.1
257.53464	0.2
309.81415	0.2
330.35950	0.2
335.25986	0.6
349.19879	9.8
405.22443	0.5
439.19534	0.9
453.21622	0.4
519.29340	4.7
567.27710	2.4
598.66406	0.3
759.42096	0.6
809.55194	0.3
845.50171	100.0
846.50470	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	844.5779
Annotation	Unknow
Peak:m/z	Relative Intensity
60.08153	2.4
60.67950	1.4
61.02920	3.3
65.03938	4.5
67.05509	71.0
67.45754	1.5
69.03439	17.5
69.07072	83.4
69.82217	6.8
70.80450	1.5
71.04998	22.8
71.07363	3.3
71.08631	6.7
73.02916	6.2
79.05496	51.7
81.03419	21.0
81.07059	72.1
83.05003	10.4
83.08143	2.7
83.08618	29.8
85.02907	11.8
85.06534	5.5
85.10167	3.2
86.09702	15.5
87.04436	1.7
91.05488	42.5
93.06481	3.2
93.07049	51.0
93.33050	1.5
95.04984	14.4
95.08613	57.3
97.02900	13.3
97.06535	98.9
97.10176	16.3
98.05676	1.4
98.20840	2.0
98.98452	1.8
99.04465	4.1
99.08105	7.0
103.05470	2.0
104.96076	1.6
105.04496	1.9
105.07045	23.6
107.04976	11.4
107.08596	28.8
109.02876	5.7
109.06525	17.6
109.10160	20.5
111.08084	8.6
111.11706	4.2
113.06016	2.5
115.05459	2.4
115.07572	31.2
117.07033	16.5
119.08584	17.6
121.06532	7.4
121.10137	21.0
123.08056	6.9
123.11704	6.8
125.00014	6.6
125.09630	3.3
127.03938	8.3
127.07553	3.3
128.06268	2.1
129.07022	9.4
131.04964	1.7
131.08563	19.2
133.06482	5.1
133.10127	17.2
135.08083	11.5
135.11671	12.9
137.09589	3.1
139.07533	3.1
141.06947	2.2
143.08574	6.1
145.06477	2.5
145.10121	10.0
147.08040	6.5
147.11682	6.3
149.09576	7.8
149.13260	9.6
151.11208	6.0
155.08643	2.2
157.10133	8.1
159.11722	10.7
161.09560	6.9
161.13281	1.8
163.07471	1.9
163.11208	4.4
165.16235	1.4
169.10109	1.8
169.12315	1.6
171.11716	4.5
173.04474	9.6
173.09656	3.3
173.11937	1.8
173.13315	3.7
175.11230	5.0
177.12712	7.4
181.10199	1.6
184.07339	37.4
185.13316	3.6
187.11125	2.0
189.12744	2.2
195.13806	5.3
199.11234	1.7
199.14854	5.0
201.07629	2.3
203.14377	1.6
217.15880	14.0
221.15392	2.0
227.18025	1.9
233.15334	6.1
237.16464	1.8
241.10657	3.1
245.19048	4.2
247.24243	3.3
251.16418	2.7
252.44189	1.5
253.14386	10.6
255.17744	2.7
265.25253	5.1
269.14874	2.6
269.17502	27.8
273.18512	40.7
275.19949	1.8
291.19537	25.1
297.16937	2.5
307.19070	7.2
329.21091	1.7
339.28955	100.0
347.22104	19.3
365.23233	17.5
367.28473	3.9
383.24240	5.2
519.40497	4.2
533.42023	41.0
561.41357	3.4
571.43457	4.3
611.46478	10.2
629.47766	25.4
647.48718	7.8
661.49347	2.6
785.48895	5.0
844.54248	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	843.4859
Annotation	Unknow
Peak:m/z	Relative Intensity
59.00833	0.4
61.02934	4.6
65.03937	0.9
67.05508	8.6
68.05844	0.5
69.03436	3.9
69.07069	4.8
69.30032	1.4
69.30447	2.9
71.04983	0.5
71.08620	0.5
73.02912	3.0
79.05497	6.9
80.05913	0.5
81.03424	1.4
81.07057	8.3
83.04979	1.2
83.08614	2.0
85.02898	3.4
86.09713	2.7
91.03959	2.2
91.05481	5.1
93.07044	8.7
94.07381	0.5
95.04983	1.8
95.08609	5.0
96.08926	0.7
97.02897	3.7
97.06503	0.7
97.10175	2.2
98.20724	0.8
101.02374	0.8
103.03963	0.9
104.76231	0.5
105.07043	4.9
106.07374	0.5
107.04957	0.7
107.08588	4.6
109.10146	3.3
110.10596	0.5
117.07040	2.1
119.08611	3.5
119.34075	0.5
121.10107	2.6
123.08185	0.5
124.99998	1.3
125.09635	1.0
127.03926	0.9
131.08574	1.9
133.10155	2.2
135.11711	1.9
145.10211	1.4
147.08107	0.5
147.11722	1.6
149.13272	0.9
159.11768	1.4
161.13289	0.6
173.13181	0.8
177.12813	0.6
184.07349	5.6
185.04309	0.6
189.11209	0.7
201.03810	0.8
215.45738	0.5
223.13422	1.1
227.13008	0.8
229.14351	0.9
243.08450	2.8
259.20636	0.6
270.17993	0.6
275.20218	1.0
276.20392	0.8
291.19565	1.1
301.09006	1.6
313.27567	0.6
315.10648	0.8
331.18900	1.8
335.25806	2.7
336.26291	1.8
349.23853	0.8
373.11191	0.6
465.21432	0.8
484.37732	0.5
500.13531	0.5
529.39197	1.2
530.39313	2.8
535.28876	5.8
549.26776	6.3
597.52423	0.5
610.45587	1.8
618.69537	0.5
621.28998	1.8
627.46454	0.7
628.46600	1.8
677.34869	0.6
705.36798	0.6
843.48596	100.0
844.49219	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	843.4372
Annotation	Unknow
Peak:m/z	Relative Intensity
59.05000	0.6
61.02933	3.3
67.05509	9.4
69.03439	2.8
69.07070	1.6
69.43683	1.4
69.44109	2.5
71.04995	1.0
73.02915	4.0
78.79478	0.6
79.05506	2.3
81.02997	0.6
81.03427	2.5
81.07069	2.3
83.04990	1.0
83.08653	1.0
85.02911	6.3
85.06570	0.6
86.09677	0.7
91.03957	3.7
91.05490	1.7
91.64019	0.5
93.07053	1.6
95.04986	1.5
95.08626	1.7
97.02892	5.3
97.06528	1.2
97.10181	0.9
99.04498	1.3
101.01797	0.5
101.02405	1.9
103.03950	1.0
105.07033	1.0
107.08616	1.1
109.02845	0.6
109.10163	8.8
117.07003	0.7
119.08620	1.4
120.06735	0.7
121.06485	0.7
121.10157	1.1
125.09615	0.7
127.03938	2.7
127.11182	0.7
129.05565	1.3
131.05003	0.5
131.08600	1.1
134.42567	0.5
135.11705	1.5
144.99416	0.6
145.05005	0.9
149.09634	0.9
154.16200	0.6
155.10693	1.2
159.11751	0.8
173.11713	2.8
181.04808	1.8
184.07401	1.3
185.04230	4.1
185.05666	0.6
195.09999	2.0
199.05852	1.1
201.03806	1.7
221.11525	1.9
227.05397	0.9
229.07483	0.6
229.14384	2.7
235.13313	0.6
241.07059	0.8
243.08363	3.7
251.12730	1.6
259.08160	0.6
265.14267	1.8
283.15289	1.9
293.13623	1.6
301.08954	12.2
311.14655	1.2
313.08844	0.7
315.10587	1.9
339.14227	2.3
357.15350	0.9
360.10458	0.7
369.15302	0.8
373.11023	5.3
377.23013	1.0
383.12506	0.7
383.16904	0.8
385.18393	8.6
387.12842	0.8
392.09305	1.6
413.17865	22.8
415.15839	0.7
423.23441	0.6
429.17599	3.7
439.19318	4.6
443.18817	0.9
444.19922	0.8
450.89145	0.6
457.20654	1.8
459.18628	1.1
473.25443	0.6
481.20572	5.3
485.19870	5.2
499.21719	2.5
501.23141	2.6
513.27417	0.9
527.24542	0.8
529.22437	1.2
555.27570	1.5
573.26904	0.8
585.28802	3.9
611.30371	10.6
653.31464	21.9
673.34351	14.9
701.37616	0.7
715.32965	1.2
721.37915	2.8
739.38483	100.0
740.38574	3.8
757.35553	1.6
843.42377	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	843.4355
Annotation	Unknow
Peak:m/z	Relative Intensity
59.05012	1.2
61.02925	11.2
61.60141	0.7
65.06675	0.7
67.05509	12.8
69.03432	5.7
69.07070	3.1
69.37558	3.7
69.37987	2.5
71.01331	0.9
71.04996	3.7
72.08198	0.8
73.02921	6.2
79.05493	7.8
81.03419	8.7
81.07059	7.0
83.08640	1.7
85.02910	11.6
85.06555	1.4
87.04461	1.0
91.03959	5.5
91.05489	7.8
93.07040	7.4
95.04981	4.7
95.08607	3.1
97.02902	8.8
97.06530	3.8
98.20787	1.2
99.04474	2.1
101.02400	3.7
103.03910	0.8
105.07032	3.7
107.04960	1.3
107.08588	5.3
109.02890	1.6
109.06542	2.0
109.10167	7.5
111.08086	2.0
117.06998	1.5
119.08594	2.9
121.10145	2.6
124.72752	0.7
125.00032	1.3
127.03864	3.5
129.05533	1.3
129.07019	1.5
131.08598	3.2
133.10152	2.4
135.08182	1.1
135.11723	3.3
137.09657	1.1
145.10110	1.4
147.08052	0.7
147.11711	1.7
149.09642	3.1
157.10132	1.8
163.03946	2.2
163.11253	1.1
173.11807	0.8
175.11232	0.9
177.63017	0.8
181.12103	0.7
184.07300	3.7
185.04251	2.6
193.12314	2.8
195.10004	0.9
203.05316	1.4
221.11528	1.5
225.14862	1.7
229.14372	1.3
239.12231	0.9
243.08444	7.3
267.15936	2.4
283.15228	10.6
291.19522	1.1
301.09091	3.1
313.22440	0.7
315.10541	2.0
319.19080	1.1
323.18356	1.0
339.14380	1.0
339.17999	1.3
343.13943	0.8
349.19885	6.0
354.58008	0.7
355.13873	0.8
357.15512	0.9
365.23254	1.0
371.16736	1.2
381.19177	1.5
385.18289	1.3
413.17651	9.4
427.19333	1.0
439.19492	13.0
453.20950	1.3
469.20673	1.8
481.20389	2.5
483.22025	1.0
499.21390	1.2
501.23071	29.0
529.22748	2.8
567.27582	5.8
573.25256	7.3
583.31134	3.5
587.26740	1.8
615.29889	1.4
629.31470	1.5
669.34546	1.6
671.35809	1.4
687.35620	1.3
699.35565	31.5
699.47870	1.6
700.36237	1.3
739.38763	81.0
740.38977	2.4
741.36884	7.4
742.17938	0.9
797.39862	3.1
809.42615	1.3
825.42139	9.4
843.43793	100.0
844.44550	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	843.4359
Annotation	Unknow
Peak:m/z	Relative Intensity
59.05056	0.8
59.37490	0.4
61.03018	4.5
65.03708	0.5
67.05221	1.1
67.05605	8.3
69.03529	2.4
69.07169	2.2
70.06685	0.6
71.04664	0.9
71.05097	4.0
71.52566	0.8
73.03026	3.4
79.05606	2.8
81.03536	2.8
81.06647	0.9
81.07181	4.2
83.05045	0.7
83.08746	1.6
85.03032	4.4
86.09802	0.6
89.04069	0.6
91.04099	3.3
91.05615	2.7
93.07181	2.8
95.05066	1.1
95.08759	1.8
96.08237	1.0
96.18459	0.5
97.03036	4.1
97.06679	3.2
97.10287	0.6
99.04554	0.8
101.02489	1.2
103.04034	0.6
105.07173	1.6
107.08702	1.2
109.03017	0.9
109.06671	1.1
109.10316	6.0
117.07149	1.1
119.08770	1.7
121.10277	0.6
123.04574	0.6
127.04037	1.1
131.08672	1.0
133.10297	1.1
135.11848	0.6
147.11804	0.9
149.09805	0.5
151.11340	0.5
163.04057	0.7
173.11966	2.2
184.07542	1.5
185.04684	0.6
195.10048	1.2
229.14651	2.0
243.08369	2.6
248.74954	0.6
257.13947	0.5
267.16098	0.6
301.09329	0.7
319.19354	0.6
335.93237	0.6
349.19876	8.4
365.23474	0.5
405.22787	1.5
413.17865	11.3
413.23038	0.7
437.63293	0.7
439.19751	1.6
444.24835	0.6
453.21292	2.0
459.29092	0.6
481.23843	0.7
501.23328	2.3
567.27802	9.8
567.36603	0.6
583.31012	1.5
625.32068	0.9
640.00848	0.6
699.36053	0.7
718.91864	0.6
739.38733	100.0
740.38739	2.6
779.02966	0.7
797.42035	0.8
825.42297	0.9
843.44244	29.4
844.43628	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	840.5468
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02915	3.5
65.03928	4.1
67.05507	91.7
69.03413	7.7
69.06727	2.5
69.07073	36.2
70.57486	2.4
70.57828	5.8
71.04991	5.3
77.03910	2.1
79.05495	75.3
81.03413	10.6
81.07057	100.0
83.04987	15.8
83.08620	14.2
85.02906	5.6
85.06535	6.2
86.09692	3.6
87.04449	3.8
87.75584	1.8
91.05480	87.7
93.07046	87.3
94.84071	1.9
95.04974	11.8
95.08610	62.9
97.02880	7.8
97.06509	12.0
97.10136	9.3
98.21494	2.3
99.08059	5.2
103.05457	2.8
105.04518	2.6
105.07037	84.8
107.04930	6.7
107.07879	2.8
107.08595	55.1
109.06483	6.4
109.10152	23.9
111.08079	6.4
113.09657	2.0
115.05393	4.8
117.07024	32.8
118.26497	1.9
119.08581	66.5
121.06497	7.8
121.10143	33.6
123.08044	7.0
123.11707	6.0
124.99973	2.7
125.09612	4.7
127.03923	3.7
128.06219	5.8
129.07008	19.1
130.07741	3.2
131.08563	41.7
133.10129	50.6
135.08028	7.3
135.11696	27.4
137.09604	5.0
141.06960	5.6
142.07770	3.6
143.08566	17.5
145.10133	33.1
147.08026	4.4
147.11679	33.6
149.09627	7.3
149.13287	16.4
151.11151	3.8
155.08542	11.2
157.10115	17.4
159.11693	23.5
161.09601	3.2
161.13243	22.6
163.11179	6.5
163.14728	3.5
165.12718	2.6
167.08548	5.5
169.10144	12.2
171.10277	3.2
171.11638	17.9
173.04541	2.2
173.13232	12.1
175.11195	4.6
175.14801	8.5
177.12685	6.4
179.08557	2.5
179.14323	3.0
180.64377	1.8
181.10100	3.7
183.11674	10.2
184.07336	11.2
185.13229	15.7
186.55911	2.2
187.14763	5.3
195.11731	5.1
195.13809	6.3
197.13237	9.5
199.14818	9.1
207.11676	4.1
209.13286	3.9
211.14909	4.5
213.16432	2.5
215.14250	2.1
219.13921	2.1
221.13446	3.1
223.14740	2.6
225.16475	2.5
231.20996	2.8
239.17998	3.7
241.15685	2.5
241.19473	19.3
253.14343	2.7
255.15814	12.2
257.18906	7.7
259.20581	40.5
261.22113	4.1
267.15900	5.1
269.17398	22.9
275.20038	15.0
277.21640	4.7
291.19482	5.4
315.23163	6.4
327.23248	2.2
329.21179	3.0
331.22766	2.0
333.24234	49.8
335.25754	6.5
343.10385	2.2
347.22174	3.2
349.23730	10.2
365.23276	4.0
367.24655	6.6
409.30804	2.4
417.31363	4.0
424.27560	1.9
435.32446	9.5
453.33566	7.0
471.34415	2.3
487.34387	2.2
489.35461	2.9
497.36908	2.1
501.36044	2.2
509.36227	3.4
513.35913	18.7
515.37689	6.2
523.40491	2.0
527.37360	73.8
528.37134	2.3
531.36407	3.4
537.35962	2.0
543.36548	3.0
545.38409	11.8
551.40021	2.1
597.44849	2.9
607.43652	25.6
625.44336	31.3
653.39905	3.1
689.42407	3.3
841.47076	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	840.5466
Annotation	Unknow
Peak:m/z	Relative Intensity
59.77848	2.3
61.02916	4.2
65.03931	8.3
67.05505	93.1
69.03419	10.6
69.07072	39.0
70.63606	5.5
70.91203	1.8
71.04988	6.8
73.02903	2.9
79.05497	82.3
81.03405	12.0
81.07059	100.0
83.04984	9.9
83.08623	17.0
85.02917	10.8
85.06518	5.5
86.09722	5.2
90.29962	1.9
91.05487	87.6
93.07046	87.1
95.04977	11.9
95.08615	64.0
97.02900	10.1
97.06520	10.3
97.10156	9.6
99.08018	4.1
103.05437	4.6
104.06180	2.6
105.04507	2.6
105.07034	80.2
107.04974	8.5
107.08601	49.0
109.06528	7.7
109.10155	29.3
111.08085	5.8
115.05424	3.7
117.07022	38.2
119.08580	62.6
121.10155	31.6
123.08080	9.4
123.11704	7.5
125.00036	3.7
125.09618	5.5
127.03888	4.9
128.06235	5.1
128.98650	1.9
129.05525	3.1
129.07022	24.7
130.07689	2.5
131.08571	45.7
133.10139	47.8
135.08044	6.0
135.11719	21.4
137.13251	3.1
141.06993	6.9
142.07773	5.9
143.08554	22.2
144.09200	3.0
145.04947	2.6
145.06425	2.9
145.10123	37.4
147.08066	4.1
147.11708	28.7
149.09615	9.0
149.13280	12.3
151.11182	2.5
155.08551	10.4
156.09383	3.0
157.10117	22.9
159.11710	32.6
161.09695	5.9
161.13293	13.1
163.11263	4.6
163.14862	4.2
165.07138	2.4
167.08479	5.3
168.09404	2.5
169.10130	13.8
171.11676	22.2
173.13277	20.5
175.14839	5.8
177.12698	6.0
179.08569	2.4
179.14284	2.7
181.10114	6.6
182.05640	2.2
183.11690	19.6
184.07253	11.8
185.13249	16.5
187.11047	2.6
187.14807	8.4
193.10191	3.6
195.11719	12.5
195.13551	3.5
197.13268	13.1
199.14856	9.0
209.13295	7.8
211.14882	5.3
213.16446	2.6
223.14758	4.2
225.16396	6.1
229.14243	5.3
237.16451	3.7
239.17909	4.3
241.19513	8.5
257.19052	5.3
259.20587	27.5
261.21942	2.9
269.17517	8.0
273.18677	3.4
275.20050	6.7
277.21841	2.8
285.22226	2.6
289.21323	2.4
291.19696	4.2
293.21152	9.3
297.22302	2.8
315.23178	4.9
327.23215	2.9
331.22751	2.5
331.26569	2.5
333.24243	26.0
335.26111	5.1
349.23581	3.9
353.24823	2.2
365.23016	3.1
365.28391	3.5
417.31396	3.1
435.32492	4.9
453.33780	3.0
472.44922	2.6
501.35782	4.0
513.35785	5.9
517.40680	2.9
527.37567	19.5
545.38275	4.6
591.44275	3.2
599.43109	2.4
607.43365	7.5
609.45251	38.6
609.54633	2.4
625.44647	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	840.5469
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02914	4.0
65.03931	6.4
67.05509	87.7
69.03439	10.3
69.07072	43.2
71.04977	6.2
73.02928	1.7
77.03933	2.1
79.05498	86.8
81.03419	12.7
81.07061	100.0
83.04987	12.7
83.08630	17.6
85.02905	7.3
85.06551	4.1
86.09710	3.2
91.05486	85.7
93.07048	77.5
95.04967	12.9
95.08613	60.4
97.02876	4.7
97.06535	12.6
97.10172	10.2
99.04420	1.9
99.08070	3.1
103.05484	3.3
105.04509	3.0
105.07036	81.1
107.04970	9.7
107.07875	2.6
107.08601	51.0
109.02892	1.9
109.06519	9.0
109.09469	2.1
109.10168	28.6
111.08086	5.3
111.11719	1.6
113.09660	2.1
115.05482	3.2
117.07022	34.6
119.08585	63.4
121.06503	6.5
121.09322	2.2
121.10141	28.1
123.08064	7.2
123.11674	8.3
125.09647	6.8
127.03924	3.8
128.06239	4.9
129.05492	1.9
129.07002	19.0
130.07761	2.9
131.08574	44.7
133.06493	1.5
133.10136	53.1
135.08127	6.6
135.11691	28.2
137.09618	5.6
139.11192	2.6
141.07024	7.1
142.07738	4.3
143.08577	25.1
144.09390	1.6
145.04984	2.1
145.06445	2.8
145.10124	37.8
147.08028	2.8
147.11696	38.2
149.09598	10.7
149.13249	13.6
151.11180	3.8
153.07025	1.9
155.08549	14.9
156.09302	1.5
157.10146	19.1
159.08080	2.4
159.11708	29.2
161.09625	4.5
161.13274	18.1
163.11177	8.7
163.14804	2.9
165.06911	1.7
165.12785	2.3
167.08536	5.7
169.10159	13.3
171.11708	19.2
173.04462	2.6
173.09685	2.5
173.11908	2.6
173.13269	17.8
175.11201	3.6
175.14825	11.2
176.10353	1.3
177.12756	5.1
179.08594	1.7
179.14320	2.4
181.10106	7.7
181.12097	1.5
182.10910	2.1
183.11690	12.2
184.07352	12.1
185.11804	2.1
185.13281	16.3
187.11191	3.2
187.14833	5.9
189.12798	1.9
193.10092	3.4
195.11702	7.9
195.13564	2.7
197.13255	10.3
199.14803	9.6
201.12657	1.9
207.11694	3.5
209.13287	7.4
211.14795	5.7
213.16391	3.9
215.14357	1.4
215.18027	1.8
217.15996	1.6
221.13237	3.8
223.14801	5.0
225.16399	3.9
227.12761	5.2
227.18013	2.8
229.14230	2.6
229.19482	1.7
231.21033	3.5
233.13255	2.2
233.15366	2.0
235.14847	1.9
237.16393	2.2
239.17963	4.3
241.15840	1.8
241.19576	14.8
245.18996	1.7
249.16403	2.7
253.14285	2.3
255.15854	11.5
257.19037	8.3
259.20593	41.9
261.21964	1.9
263.20102	2.1
265.19308	1.6
267.15921	3.2
269.17383	16.8
273.18451	1.7
275.20087	21.0
276.20547	1.7
277.21591	3.5
285.18378	1.6
293.21432	1.8
297.22369	2.6
299.23532	1.7
301.21567	2.0
309.21396	1.4
311.23474	1.7
315.23236	8.4
323.23563	1.5
325.21393	1.8
327.23117	2.4
331.22632	2.2
333.24255	49.2
334.24158	1.7
335.25964	3.5
339.23193	1.6
347.22604	1.7
349.23798	16.2
353.24884	1.8
355.26566	1.7
365.28458	1.7
367.25220	4.2
379.30249	2.3
417.31638	3.4
421.30844	4.6
435.32724	8.3
445.30273	1.8
453.33420	4.3
471.34698	2.5
489.35538	2.4
509.36328	3.4
513.35809	27.9
515.38177	6.1
525.35626	4.0
527.37360	52.3
531.36719	4.0
533.39563	4.5
543.36267	3.2
545.38483	8.3
551.40820	3.3
567.40283	3.0
607.43622	37.1
608.43152	2.2
625.44727	34.3
671.41449	2.0
689.43091	2.7
769.48596	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	840.5467
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04977	2.5
60.06196	1.6
61.02921	4.0
65.03931	3.3
67.05508	88.6
67.71584	1.6
69.03432	21.7
69.07070	57.3
71.01324	1.9
71.04993	23.6
71.49561	1.6
71.52515	2.3
73.02926	7.5
74.15566	1.4
79.05495	81.9
80.05823	2.1
81.03423	23.0
81.07058	86.4
83.04990	12.1
83.08623	12.6
85.02908	12.6
85.06535	5.9
86.09681	2.7
87.49535	1.5
91.03939	3.1
91.05484	54.5
93.07048	80.0
95.04970	15.6
95.07987	2.5
95.08607	59.7
97.02904	15.3
97.06533	86.9
97.10151	5.3
99.04457	4.3
99.08106	6.9
103.05478	2.1
105.06329	1.9
105.07032	39.5
107.04946	9.3
107.08601	42.2
107.73112	1.7
109.02878	8.0
109.06519	19.3
109.10157	23.7
111.04467	2.8
111.08070	6.8
115.05423	2.7
115.07571	28.4
117.07013	21.3
119.08590	29.0
121.06482	6.5
121.10146	27.0
123.08088	7.7
123.11696	6.3
125.09621	3.0
127.03923	8.4
127.07523	2.3
128.06209	3.8
129.05493	1.9
129.07004	8.9
131.08577	25.6
133.06523	3.9
133.10133	27.4
135.08083	9.6
135.11719	14.9
137.06024	1.9
137.09625	3.5
141.07001	2.3
143.08507	7.8
145.04947	1.9
145.06482	4.1
145.10109	19.6
147.08022	3.6
147.11722	12.4
149.09616	5.7
149.13277	11.8
151.11163	4.5
155.08534	3.6
157.10126	8.2
159.08009	2.3
159.11722	13.8
161.09581	8.1
161.13280	7.2
163.11169	3.4
169.10123	3.9
171.11690	6.3
173.04500	11.2
173.09673	3.1
173.13232	7.6
175.11198	3.8
175.14835	2.1
177.12807	3.1
184.07367	5.4
185.13239	5.2
187.11142	3.4
187.14877	2.5
189.12642	2.2
189.16444	2.3
195.11847	2.6
195.13792	5.1
199.14857	2.9
205.12262	1.9
213.45892	1.7
217.16031	8.0
221.15259	1.9
227.12595	2.3
227.18042	2.1
229.14270	1.7
233.15346	3.9
237.16510	1.8
243.21101	3.8
245.18903	3.8
250.12770	2.1
253.14252	3.7
255.17387	4.8
259.20615	3.0
261.22247	8.4
263.20142	3.1
267.15964	3.6
269.17380	12.6
273.18518	28.5
275.19894	2.3
277.21722	2.6
291.19501	15.8
297.16925	2.5
308.75299	1.7
315.23035	1.7
317.24564	2.1
329.20886	2.8
333.24341	2.1
335.25809	100.0
347.22144	13.3
365.23206	13.5
383.24380	1.8
391.28036	2.5
410.96274	1.9
466.69000	1.8
497.30890	2.6
515.37396	5.3
529.38892	32.3
531.36871	3.9
557.38062	2.8
567.40100	4.1
597.45349	2.2
607.43567	8.6
625.44678	20.8
643.45801	10.8
725.43433	2.9
840.43616	4.0
841.48328	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	840.4946
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04993	4.8
61.02927	2.8
65.03925	7.7
66.52905	2.5
67.05508	100.0
69.03426	5.8
69.07061	10.6
70.06577	2.9
71.01332	3.3
71.05000	6.0
73.02904	3.9
73.97098	3.1
79.05499	34.4
81.03419	98.6
81.07053	45.1
83.04974	14.9
83.08623	32.3
85.02905	10.8
85.06541	4.8
86.09712	8.5
87.04433	4.5
91.02909	2.5
91.05492	30.7
93.07042	23.7
95.04984	38.3
95.08598	22.5
97.02895	6.9
97.06538	3.6
97.10174	19.4
105.07058	19.5
107.04946	14.1
107.08613	18.7
109.06525	8.7
109.10165	57.0
111.04446	8.5
111.08093	9.3
117.07050	7.4
119.08582	28.4
121.06484	10.7
121.10165	13.7
123.04393	4.5
123.08041	6.8
123.63612	3.6
125.09634	13.8
129.07013	11.7
131.08557	12.3
133.06509	3.4
133.10124	8.2
135.08090	5.6
135.11674	5.5
137.09637	6.9
143.10634	3.3
145.06496	3.1
145.10109	7.1
147.04401	4.9
147.08060	5.3
147.11653	8.5
149.09636	8.5
153.12767	4.5
155.10680	4.0
157.10126	12.3
163.11192	11.6
173.09647	3.4
173.11761	13.1
175.11160	9.8
181.12302	5.5
184.07381	17.5
189.11244	5.9
191.10712	3.2
193.12274	29.0
199.13347	3.8
209.11699	9.7
211.13354	10.1
215.12515	3.7
216.43178	3.2
219.13846	7.4
225.84073	2.6
227.12764	18.0
229.14326	50.3
231.13826	3.4
249.14760	6.4
259.13297	4.8
267.15927	78.1
273.15036	2.8
275.20044	3.6
283.15326	9.7
291.19394	4.2
301.16589	11.2
355.22641	3.2
367.22736	3.3
383.22266	9.3
385.23807	4.2
401.24695	10.7
402.28720	3.0
421.25900	26.2
457.25470	4.0
458.26617	10.0
459.27325	4.3
475.26874	16.3
476.27896	18.7
493.28226	14.2
511.29147	7.1
593.36548	9.7
737.35059	5.4
822.51379	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	840.2456
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03921	0.9
67.05473	1.5
68.04998	0.4
68.99784	2.6
69.03407	0.8
69.91158	1.5
70.06596	0.4
71.06104	2.5
79.05475	0.5
81.03384	1.5
81.07057	0.6
83.04993	2.2
83.06070	1.1
84.04485	0.4
85.02888	0.6
86.04771	0.5
91.05453	1.5
93.03397	0.6
95.04928	1.1
95.08585	0.5
97.02899	0.8
98.21339	0.4
101.07120	0.9
102.04640	0.4
103.05463	2.1
105.07009	0.5
107.04862	0.4
108.04494	3.4
108.98421	0.3
109.02833	0.4
111.04442	2.2
111.05556	3.6
115.05453	0.8
117.03399	0.6
119.04906	0.8
121.10143	0.4
123.03701	0.4
123.04435	5.1
124.03917	1.4
124.04759	0.3
127.05038	2.4
129.06982	0.5
130.04105	1.2
131.04906	3.0
133.06087	1.4
135.04391	1.2
137.02335	0.5
139.03877	8.0
139.05000	12.4
141.06985	0.5
142.06116	1.2
143.04829	0.4
143.08565	0.4
145.02840	1.2
146.03543	0.5
147.04408	22.3
148.05182	2.5
149.05989	3.2
150.07712	0.5
151.03951	0.9
152.03429	24.3
153.06908	0.9
156.07683	26.4
157.06496	0.4
159.04297	0.5
160.07568	0.5
161.05981	1.1
163.03911	5.8
165.01837	1.1
168.07683	0.9
169.06445	1.6
170.05615	4.0
171.06392	22.4
173.02330	1.5
173.05931	1.2
174.03142	7.9
175.03911	5.5
175.07506	0.6
176.07077	0.8
181.06436	2.1
183.02924	0.4
184.07176	14.4
185.06004	2.4
185.07939	7.7
186.08737	58.0
187.03903	3.8
187.07431	0.6
188.07083	0.8
189.01851	1.2
189.05473	1.4
190.08624	0.9
191.03398	2.1
192.04166	1.1
193.12238	0.4
195.04469	0.7
196.07179	34.7
197.05959	3.5
199.07497	1.1
201.05482	0.6
202.04930	1.9
202.22079	0.4
203.03275	0.5
204.53172	0.4
207.02950	0.5
209.05861	1.9
210.14987	0.4
212.06596	0.7
213.05501	2.1
215.03394	1.4
215.06937	2.3
216.06544	3.4
222.08842	0.6
227.06993	1.8
229.05048	0.5
234.07596	0.4
237.05457	5.2
238.06171	0.5
238.08281	1.2
239.06989	0.5
241.04994	3.8
243.06561	1.5
244.06047	12.7
255.06516	9.3
259.06339	0.5
262.07089	18.9
265.04974	6.7
266.07880	2.1
267.06369	1.0
267.15991	1.9
273.08710	0.9
283.06000	13.7
284.06796	1.2
285.07553	1.5
293.04398	6.3
295.05872	0.5
299.06497	0.7
301.08249	1.0
311.05487	35.4
312.06229	2.0
316.09409	0.5
323.05649	0.6
326.08624	1.3
329.07553	0.6
330.11099	0.4
332.12396	29.4
333.12711	0.7
334.10333	1.1
337.08932	0.4
344.09805	1.9
358.10321	100.0
359.10696	1.3
376.11279	3.6
445.08997	0.6
459.27332	0.6
460.27719	0.5
463.10379	0.5
468.14142	0.5
481.86105	0.3
496.13522	2.0
504.16333	0.8
514.14575	1.1
532.15851	0.8
550.16669	73.0
551.16614	1.7
610.31958	0.7
688.19781	83.5
689.20258	2.4
700.19781	0.5
822.24365	0.5
840.24518	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	840.246
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02906	0.2
65.03923	0.9
67.05505	2.0
68.99773	0.3
69.03407	0.8
69.07056	0.4
69.95063	0.7
70.06580	0.3
71.04979	0.2
71.06116	2.3
71.39313	0.2
72.04511	0.3
74.02448	1.1
79.05499	1.1
80.04982	0.3
81.01329	0.2
81.03421	5.2
81.07037	0.9
82.03741	0.3
83.04984	2.4
83.06084	0.6
83.08640	1.1
84.04511	0.6
84.08912	0.3
85.02886	0.7
87.05597	1.7
87.40579	0.2
88.04012	0.3
89.03960	0.2
89.61095	0.2
91.05499	1.6
93.03373	0.6
93.07024	1.0
95.04976	1.6
95.08587	0.4
97.02869	0.9
97.06538	0.4
97.10173	0.3
97.74984	0.2
99.05586	0.3
100.23293	0.2
101.07116	0.6
102.04687	0.4
103.05466	1.5
105.07008	0.7
107.04935	0.7
107.08598	0.4
108.04486	3.0
109.06500	0.7
109.10134	0.2
111.04449	1.7
111.05560	3.0
111.08027	0.5
112.07590	0.3
115.05443	0.5
116.03476	0.3
117.03352	0.3
117.06999	0.3
119.04916	0.9
119.08595	1.0
120.06698	0.2
121.02867	0.2
121.06498	0.6
121.10139	0.5
122.03649	0.4
123.04440	1.7
123.19483	0.2
124.03977	0.4
125.09631	0.5
127.05025	1.1
129.03384	0.2
129.05489	0.3
129.06985	0.5
130.04118	0.5
131.04933	2.6
131.08563	0.8
133.06085	7.9
133.10069	0.4
135.04420	0.4
138.05408	0.3
139.03922	1.3
139.05013	10.9
141.06902	0.2
142.05067	0.2
142.06140	0.9
143.04869	0.5
145.02849	0.4
145.06493	0.2
146.03616	0.5
147.04413	13.9
147.11653	0.4
148.05194	1.9
149.06003	2.3
149.09634	0.5
152.03427	19.8
156.07687	20.3
157.10121	0.6
159.04376	0.4
159.75192	0.2
161.05992	0.9
163.03911	1.3
163.07484	0.2
168.07660	0.4
170.05617	3.3
171.06395	10.3
172.07658	0.3
173.02377	0.7
174.01732	0.4
174.03131	5.5
175.03908	4.6
175.06200	0.3
175.11182	0.4
176.07010	0.4
177.05637	0.2
181.06238	0.4
184.07181	9.9
185.07951	5.1
186.08742	31.6
187.03860	2.0
188.07042	0.7
189.05505	0.4
190.08641	0.6
191.03398	1.3
192.04135	0.8
193.12291	1.6
196.07181	27.7
198.05530	0.3
200.07124	0.3
202.04961	0.3
206.08130	0.3
210.14955	0.4
213.05496	0.3
214.04967	0.5
215.03348	0.5
215.06970	0.2
216.06548	2.9
218.08049	0.4
222.08847	0.3
227.12865	0.3
236.12834	0.3
237.05568	0.3
238.08322	0.3
241.05023	0.3
244.06061	9.6
248.06871	0.2
254.13872	1.0
255.06552	0.6
262.07120	17.0
265.04901	0.4
266.07660	1.3
267.15909	6.0
268.16183	1.0
273.08694	0.8
283.06085	1.0
293.04303	0.4
299.06595	0.4
301.08167	0.7
311.05435	1.6
312.05939	0.2
326.08832	1.3
329.07510	0.4
329.86594	0.2
330.10971	0.5
332.12411	19.5
344.09833	1.2
358.10330	81.8
359.10663	1.6
376.11432	3.2
385.23770	0.5
440.12863	0.4
459.27380	2.7
460.27762	1.4
477.28302	1.1
478.28854	0.5
496.13596	0.4
504.16190	0.3
532.15277	0.6
550.16693	100.0
551.16846	3.0
583.31769	0.4
609.33215	0.4
610.32861	0.8
628.33063	0.3
688.19861	3.8
840.23694	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	840.2457
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03906	1.1
67.05466	1.0
68.99748	2.4
69.03394	0.7
69.65333	0.5
70.06568	0.9
71.06120	2.8
76.85210	0.5
83.04931	1.9
83.06062	1.1
89.03854	0.8
91.05467	0.7
93.03349	0.9
95.04887	0.6
103.05447	1.2
108.04494	3.2
109.02892	0.8
111.04407	1.3
111.05589	2.9
111.08552	0.5
115.05372	0.8
117.03309	0.5
119.04896	0.8
123.04446	5.2
124.03915	1.0
127.01550	0.6
127.05007	0.8
129.05406	0.6
130.04100	1.3
131.04916	2.7
135.04385	1.3
137.02257	0.6
137.24159	0.5
139.03853	8.2
139.04985	9.5
141.06900	0.5
142.06041	1.2
143.04800	0.7
147.03262	0.7
147.04414	20.1
148.05125	2.2
149.05952	3.1
151.03873	1.4
152.03439	21.9
153.06944	0.9
156.07692	22.9
161.05975	1.1
163.03908	7.1
165.01831	0.7
167.07224	0.6
169.06372	0.6
170.05614	3.1
171.06393	19.7
173.02315	1.8
173.05986	1.2
174.03122	5.9
175.03923	5.2
175.07426	0.7
176.07082	0.7
177.05457	0.8
181.06474	2.6
184.07179	10.4
185.05986	3.0
185.07919	6.2
186.08746	54.0
187.03854	3.7
187.07469	0.8
189.01787	1.3
189.05441	1.4
191.03401	2.0
192.04111	0.9
195.04451	0.8
196.07190	29.5
197.05971	3.9
199.07445	1.1
202.04950	1.9
209.05894	1.8
213.05450	2.1
215.03325	1.5
215.06998	3.4
216.06520	2.1
227.06972	3.1
229.04953	0.8
237.05504	4.7
238.08235	1.4
241.04907	3.7
243.06479	1.6
244.06052	9.4
255.06519	8.3
262.07123	15.1
265.04956	7.3
266.07715	1.7
267.06421	1.1
273.08661	0.7
283.06018	15.3
284.06598	0.7
285.07547	1.2
293.04459	6.6
311.05505	38.5
312.06277	2.3
323.05365	1.3
326.08810	1.1
332.12418	27.6
334.10352	1.6
344.09705	1.5
358.10333	82.8
359.10730	1.1
376.11362	4.5
440.13019	0.8
463.10123	0.7
496.13486	2.0
503.11078	0.8
514.14203	0.9
532.15790	0.9
533.18469	0.7
550.16730	51.4
551.16791	1.0
688.19830	100.0
689.20490	3.3
822.23560	1.0
840.24701	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	839.4387
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02913	1.2
64.21828	0.4
65.03940	1.0
66.33241	0.5
67.05509	9.2
69.03429	1.5
69.07074	2.8
69.45764	2.5
69.46178	1.2
70.02926	1.5
70.06583	1.1
71.04991	2.1
73.02911	0.7
74.02446	11.5
79.05074	0.8
79.05499	10.7
80.05021	0.9
81.03424	50.8
81.07058	8.9
82.06595	0.6
83.04980	3.7
83.08630	11.8
83.85807	0.4
84.04509	2.9
84.08124	0.5
85.02915	2.0
85.06560	0.6
86.09715	0.9
87.05597	21.9
87.06130	1.1
88.03999	3.5
91.03966	0.8
91.05486	12.5
91.96349	0.5
93.07042	6.8
95.04979	18.1
95.08614	4.2
96.04520	1.2
97.02903	2.9
97.06517	2.2
97.10168	4.7
98.06002	0.6
98.21490	0.9
98.84425	0.5
100.04025	0.9
102.05533	0.5
102.12347	0.5
103.05488	0.7
105.07042	9.0
107.04961	6.5
107.08591	5.2
108.04481	0.7
109.02885	1.0
109.06533	4.7
109.10190	2.9
110.06007	0.6
111.04430	1.4
111.08083	4.8
114.05558	0.6
115.05440	0.6
116.03465	4.8
117.07006	2.2
119.04945	1.7
119.08584	8.3
121.06516	4.9
121.10157	5.2
123.04455	2.4
123.08057	1.3
123.11765	0.6
124.03955	1.0
124.10413	0.5
125.09634	3.7
126.05501	1.7
127.03923	0.5
128.06201	0.6
129.07022	5.6
131.04919	0.8
131.08572	6.7
133.06094	100.0
133.10139	3.6
135.08090	1.7
135.11697	1.2
137.06006	1.1
137.09636	1.2
138.05510	3.3
139.03917	1.3
141.06966	0.5
142.07773	0.8
144.38213	0.5
145.02853	1.2
145.06503	1.8
145.10141	1.8
147.04417	1.6
147.08051	3.1
147.11705	5.1
149.05930	0.8
149.09625	3.9
152.03387	0.7
153.09039	0.9
155.08537	0.7
156.07733	1.1
157.06494	0.6
157.10136	7.5
159.11729	0.8
161.05925	0.8
163.03886	2.4
163.11113	2.3
164.07169	0.6
165.12727	0.8
167.07094	0.8
167.08524	0.6
167.10733	1.1
168.06572	0.6
171.07864	0.5
173.05975	0.8
175.03995	0.7
175.11179	6.6
184.07375	0.6
186.07423	0.9
186.08916	1.2
187.07228	1.1
189.11244	1.6
193.12254	20.5
194.11800	2.4
196.07291	0.7
199.11244	1.1
199.13150	0.5
204.08658	1.9
205.12169	1.1
206.83878	0.5
207.06508	1.4
210.14883	1.8
211.07507	0.6
211.13380	1.8
215.07010	0.8
215.14320	0.6
219.13841	1.0
227.12741	1.4
233.15358	0.9
235.13390	1.0
236.12811	1.3
249.14790	1.0
254.13863	5.6
267.15930	74.5
268.16232	1.7
273.14880	1.4
281.14929	0.6
293.17453	0.8
309.17099	0.9
310.16528	1.4
316.25739	0.5
339.23166	0.6
349.21600	0.6
358.10303	2.3
366.14230	0.6
367.22452	2.5
385.23703	5.1
403.24402	0.9
441.26199	1.5
459.27454	41.2
460.27704	1.3
477.28497	16.3
491.30106	1.8
501.28613	3.9
509.31094	1.4
519.29352	0.6
543.29773	0.9
550.16656	2.0
555.29413	1.4
565.31122	0.7
567.29608	2.5
583.32159	3.1
609.24774	0.6
609.33868	7.1
610.32739	0.6
659.33832	1.0
677.34955	0.7
771.38702	2.1
839.43280	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	838.5311
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03941	3.6
67.05511	70.6
69.03429	5.3
69.07073	25.5
71.04978	5.9
74.91158	1.7
79.05499	68.8
81.03419	9.1
81.07062	79.3
83.05002	8.3
83.08617	9.4
85.02882	2.7
85.06533	6.8
86.09697	4.1
87.04441	3.3
91.05485	92.3
93.07051	67.3
95.04966	12.6
95.08614	42.8
97.06550	7.8
97.10174	3.3
99.04466	3.1
99.08104	3.1
103.05476	2.5
105.04515	1.9
105.07037	100.0
107.04951	6.5
107.08599	53.2
109.06516	9.2
109.10160	52.6
111.08075	5.2
113.05975	3.0
115.05448	3.6
117.07003	21.6
119.08583	51.0
121.06538	9.3
121.10153	20.9
123.08076	7.5
123.11697	10.9
123.42290	2.0
124.99982	4.0
125.09634	2.3
127.07545	3.0
128.06219	4.0
129.07002	17.2
131.08571	29.1
133.06485	4.8
133.10138	91.3
135.08092	6.4
135.11729	16.4
137.09625	3.9
142.07796	2.5
143.08582	15.0
145.06458	3.0
145.10136	27.8
147.08058	5.4
147.11705	32.9
149.09622	7.4
149.13269	9.5
151.11201	27.4
153.12755	1.8
155.08582	3.7
157.10139	10.6
159.08089	3.6
159.11702	21.3
161.09619	6.3
161.13264	14.6
163.11209	3.4
163.14810	2.8
169.10150	4.5
169.12247	5.4
171.11699	15.9
173.09706	2.0
173.13260	11.6
175.11125	3.5
175.14841	6.7
177.12654	3.0
181.10143	2.4
183.11707	3.7
184.07372	9.9
185.13225	9.8
187.14862	4.6
189.12782	2.7
189.16344	2.3
195.11662	2.0
197.13214	3.0
199.14818	6.4
201.16351	2.8
209.13326	2.3
211.14832	3.1
213.16429	2.8
215.12721	2.6
227.17885	2.8
229.19850	2.6
231.21097	4.8
237.16425	2.7
241.19582	20.1
245.19025	3.1
253.14365	75.0
257.19107	3.1
259.20612	55.5
263.20029	4.2
271.15314	3.7
273.18524	15.4
275.20059	2.7
289.17920	4.6
291.19537	18.0
313.21707	2.3
315.23340	8.0
329.21295	1.6
333.24274	44.2
335.25824	4.1
347.22208	2.7
353.28299	2.5
363.21832	1.9
365.23328	29.4
409.30817	2.1
437.30511	3.9
455.31494	5.5
501.35712	5.7
511.34265	20.1
513.36780	3.6
529.35229	25.8
531.38324	4.4
549.39386	2.9
567.40118	2.5
595.43671	1.9
605.41858	11.5
623.43079	52.5
641.43683	9.2
733.27124	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	838.5314
Annotation	Unknow
Peak:m/z	Relative Intensity
64.33015	1.4
65.03935	3.2
67.05510	58.8
69.03429	4.9
69.06727	3.0
69.07074	41.0
71.04997	3.9
71.51920	2.1
71.52393	1.9
79.05495	51.6
81.03415	13.5
81.07060	76.8
81.84850	1.7
83.04996	10.4
83.08628	12.7
85.02921	3.8
85.06595	1.6
86.09740	2.2
87.04473	8.3
91.05487	67.9
93.07049	51.7
95.01347	9.4
95.04966	12.7
95.08611	40.1
97.02878	4.0
97.06536	35.0
97.10191	7.6
98.21548	1.5
99.08102	1.9
103.05497	2.1
105.04521	1.8
105.07037	90.3
107.04951	19.1
107.08607	31.7
107.61023	1.6
109.02897	1.6
109.06509	5.1
109.10171	14.2
111.08065	5.2
113.09640	1.9
115.05479	1.7
117.07023	20.3
119.08591	47.7
121.06517	5.1
121.10152	14.3
123.04380	3.9
123.08090	3.8
123.11703	2.5
125.09633	5.2
127.03904	1.6
129.07014	4.7
130.07819	1.9
131.08574	32.0
133.10133	44.3
135.08086	5.6
135.11682	13.0
136.06177	22.5
137.09584	3.6
139.07556	2.8
141.07005	4.4
143.08618	5.1
145.06509	1.6
145.10127	21.5
145.11171	2.6
147.08051	3.0
147.11685	16.8
149.09654	11.3
149.13274	7.7
151.11200	4.9
155.08609	3.0
157.10156	4.3
159.11679	16.8
161.09613	3.2
161.13231	8.8
163.11179	8.7
165.09097	2.2
169.10136	3.7
171.11717	5.6
173.13278	5.3
177.12785	3.5
179.14328	19.4
183.11703	2.0
184.07379	7.1
185.13338	2.0
187.11264	3.9
189.11317	2.4
195.13823	2.7
197.13269	2.5
199.13132	1.7
205.12321	2.7
219.17471	2.2
227.12784	4.5
229.19708	2.2
239.17961	6.0
243.64204	1.6
247.20525	3.5
251.16306	2.6
255.15910	7.2
257.19104	9.9
269.17511	18.6
275.20078	100.0
291.19412	2.1
293.21194	6.2
304.58667	1.7
331.22543	3.0
349.23746	66.7
367.24713	4.4
413.21716	2.0
503.33820	3.7
527.37054	1.9
529.27948	2.8
529.35309	30.9
543.36823	97.3
544.37079	3.6
583.39655	3.4
605.41370	2.0
623.33441	3.5
623.43109	55.1
641.44397	9.0
676.46124	3.2
687.40771	4.8
709.97577	2.3
797.26385	1.9
838.51837	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	838.5309
Annotation	Unknow
Peak:m/z	Relative Intensity
63.25585	2.4
65.03929	2.9
67.05510	67.1
69.03444	14.2
69.06734	2.6
69.07078	39.6
69.35439	3.5
69.35850	11.4
71.04990	3.9
75.92596	1.6
76.34309	1.8
76.38869	2.0
79.05499	71.4
81.03426	10.8
81.07063	63.3
83.04983	7.2
83.08623	16.1
85.02926	2.9
85.06554	3.0
86.09718	4.0
87.04459	6.3
91.05493	70.9
92.05824	2.0
93.07052	61.4
94.04265	1.9
95.04990	15.8
95.08616	32.5
97.02912	12.9
97.06528	8.2
97.10181	20.3
99.08089	3.8
103.05441	3.7
105.04550	2.2
105.07043	64.8
107.04971	8.1
107.08605	39.4
109.06520	5.2
109.10170	21.3
111.08086	4.3
113.09671	1.9
115.05435	3.7
117.07030	28.0
118.30652	1.8
119.04964	1.9
119.08596	61.7
121.06494	6.2
121.10167	23.2
123.08076	6.5
123.11716	5.1
124.99980	3.1
125.09616	17.2
128.06252	4.7
129.05487	2.6
129.07010	17.0
131.08582	31.2
132.03706	1.8
133.06494	4.3
133.10144	39.9
134.62863	1.9
135.08047	4.4
135.11700	13.7
136.06197	12.5
137.09634	5.4
139.11241	2.5
141.06970	5.8
142.07730	2.0
143.08588	15.1
144.09404	2.3
145.10138	25.9
147.08052	5.2
147.11705	29.9
149.09599	5.5
149.13242	8.5
155.08568	5.0
157.10150	11.1
159.11717	20.4
161.09702	4.0
161.13245	20.5
163.11172	4.4
165.09145	3.1
169.10104	6.3
171.11705	15.6
173.13232	12.1
175.11156	2.3
175.14783	9.2
177.12758	3.9
181.10214	2.1
183.11725	6.1
184.07317	15.0
185.13269	9.2
187.14879	2.4
189.11237	8.9
193.12329	2.3
195.11835	2.7
197.13254	5.0
199.14879	7.2
201.16391	2.7
209.13377	2.1
211.14886	2.7
213.16428	4.1
217.19612	2.1
223.13300	21.7
227.12776	11.0
231.21062	4.2
239.18069	4.3
241.19524	21.5
245.87933	2.0
249.14845	2.3
253.19449	2.4
255.17473	2.8
257.19009	4.5
259.20618	54.6
267.15930	2.4
273.18518	9.6
275.20151	9.0
291.19571	100.0
299.20145	2.3
299.23523	4.2
315.23175	6.9
333.24258	57.9
335.25806	5.4
349.23792	6.3
365.23245	38.5
379.30109	3.0
498.56955	2.1
511.34323	4.2
525.35968	11.0
529.35199	6.3
531.38239	4.1
543.36743	18.7
548.09125	2.0
605.41718	8.8
623.33313	3.7
623.43146	68.7
641.43579	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	838.4944
Annotation	Unknow
Peak:m/z	Relative Intensity
58.72845	0.2
59.04982	0.5
60.04521	1.4
61.02922	1.4
63.08996	0.2
67.05506	2.7
68.05013	0.8
69.03424	2.6
69.07069	1.7
70.06590	1.8
70.53385	0.4
70.53738	0.5
71.04994	0.7
71.08617	0.2
72.04513	0.6
73.02910	0.4
79.05490	1.3
80.05009	1.0
81.03418	3.5
81.07053	4.3
82.06586	0.7
83.01343	0.3
83.04990	0.6
83.08613	0.7
84.04505	26.1
85.02902	4.2
85.04860	0.2
86.06087	0.3
87.04472	0.7
87.05584	0.3
91.03971	0.3
91.05479	1.0
93.07043	2.7
95.04970	0.9
95.08607	11.7
96.04492	10.9
97.02892	4.7
97.06511	0.5
97.07526	0.2
97.10169	0.6
98.02414	0.3
98.06057	7.1
99.04461	1.7
100.03970	0.3
101.02406	0.4
101.38590	0.2
102.05519	0.3
105.07030	1.9
107.08586	3.1
108.04472	0.9
109.02881	4.6
109.06545	0.2
109.10152	3.2
110.06013	0.3
114.05523	0.9
116.07079	1.1
117.07014	0.3
119.07728	0.2
119.08572	4.8
121.06487	0.4
121.10143	2.7
123.04433	0.3
123.08058	0.4
123.11698	2.2
124.03951	0.7
126.05516	44.8
127.03923	2.2
127.05876	0.3
129.06989	0.3
130.23619	0.2
131.08582	1.0
133.06097	0.5
133.10130	1.4
135.11697	1.8
135.64442	0.2
137.06097	0.3
137.09647	0.3
137.13266	2.2
138.05501	100.0
139.03886	0.4
139.05833	0.6
140.07100	0.4
143.08594	0.5
144.06560	22.8
145.04977	0.7
145.10110	0.9
147.04390	0.3
147.08038	0.4
147.11714	1.2
149.12230	0.3
149.13248	1.5
156.06580	0.2
157.10167	0.4
158.65569	0.2
159.11723	0.7
161.13240	0.9
162.07585	0.6
163.03902	0.5
163.14850	0.4
167.07034	0.3
168.06560	24.5
169.06906	0.3
171.11627	0.4
173.13229	0.6
175.03865	0.3
175.14822	0.7
177.12766	0.4
177.16367	0.4
185.13206	0.5
186.07613	26.4
187.07077	0.6
187.14821	1.3
189.12689	0.5
189.16429	0.4
191.14363	0.2
191.17972	0.9
193.12317	0.3
199.14833	0.5
201.16388	0.8
202.06833	0.3
203.14259	2.2
203.17973	0.9
204.08673	84.3
205.09094	0.6
205.15930	0.4
205.19531	1.0
207.06493	0.5
213.16388	0.6
215.17952	0.4
217.15982	0.3
217.19588	0.5
219.13924	0.3
222.09727	13.7
225.16333	0.3
229.14215	0.5
231.14032	0.3
239.17827	0.3
241.19342	0.3
247.16980	0.3
249.14807	0.3
254.17528	0.5
267.15863	0.5
321.17487	0.3
366.13953	36.0
367.14145	0.3
409.34772	2.2
411.36362	1.3
437.34293	1.3
439.22888	0.3
455.35294	1.3
554.32727	0.4
637.95471	0.3
676.44452	0.5
820.43353	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	838.4795
Annotation	Unknow
Peak:m/z	Relative Intensity
59.05005	34.7
60.78246	0.7
61.02925	3.2
65.03941	3.0
67.05507	100.0
69.03432	8.1
69.07070	38.3
69.81294	4.4
71.01361	2.6
71.04993	12.3
71.05891	0.8
73.02925	2.4
77.03955	0.8
79.05495	42.9
81.03077	0.7
81.03422	34.4
81.07059	48.0
83.04985	11.9
83.08144	0.5
83.08618	22.2
85.02915	8.7
85.06547	6.3
87.04469	30.4
91.05483	36.6
93.07045	31.2
95.01361	0.7
95.04977	18.0
95.08611	30.7
97.02895	7.5
97.06526	10.2
97.10174	21.2
98.21408	1.3
99.04459	15.7
99.08096	2.4
101.06031	1.6
103.03951	1.1
103.05449	1.6
105.04505	1.1
105.07037	24.4
107.04962	12.5
107.08599	22.5
107.09304	1.4
107.66426	0.7
109.02909	1.6
109.06522	5.8
109.10160	67.8
110.10439	0.8
111.04448	4.6
111.08083	7.8
113.06027	1.1
113.09643	1.3
115.03937	1.1
115.05481	2.8
116.04758	1.0
117.05544	1.0
117.07023	8.3
119.04962	1.2
119.08588	22.5
121.06509	5.0
121.10143	11.1
123.04456	2.3
123.08062	4.9
123.08881	0.8
123.11738	1.9
124.58953	0.9
125.05991	1.5
125.09634	20.5
127.03942	2.1
129.05504	4.8
129.06996	5.5
130.07838	1.1
131.08572	14.2
133.06538	3.7
133.10126	13.2
135.04504	1.0
135.08032	5.5
135.11694	8.4
137.06021	1.4
137.09607	10.5
139.07532	1.0
139.11200	1.1
141.07010	1.3
141.09175	0.8
142.07811	1.8
143.07033	0.9
143.08601	3.3
143.10680	2.0
145.06566	1.4
145.10126	11.4
147.04448	1.0
147.08022	3.7
147.11699	8.3
147.12642	0.9
149.05997	1.1
149.09624	13.8
149.13303	1.7
151.11214	2.6
153.09160	1.7
153.12791	3.8
155.08601	1.8
155.10663	7.3
157.08740	1.9
157.10184	6.5
159.08070	1.0
159.11705	4.6
161.09656	3.2
161.13329	3.2
163.11191	11.5
165.12811	1.0
167.10753	1.4
171.10277	1.7
171.11783	2.2
173.09647	3.0
173.11765	20.7
173.13182	1.9
175.11130	4.5
177.12813	2.0
179.14351	1.9
181.12279	1.9
183.11768	1.1
185.11754	0.9
185.13295	1.7
187.11211	1.7
189.09395	1.0
189.11310	3.8
189.12802	1.2
191.10709	3.4
193.12254	14.0
195.13857	1.7
199.13287	8.0
199.14653	0.9
201.12744	1.3
205.12245	1.6
209.11757	3.7
211.13283	4.4
213.12820	1.0
217.14426	3.0
219.13911	1.5
221.15468	0.7
223.13237	3.6
225.14827	1.1
227.12796	8.5
227.14638	0.8
227.18179	0.8
229.14359	46.9
229.19368	1.6
229.68340	0.7
241.14447	2.7
243.16019	1.5
247.20903	1.0
249.14944	1.9
253.18140	1.3
255.15919	1.1
257.19125	3.0
259.13217	1.4
267.15924	27.4
269.17358	1.0
273.18576	3.5
275.20081	14.1
275.22794	1.4
283.15491	3.7
291.19479	5.2
293.21133	2.1
295.18967	1.0
297.17172	0.9
301.16531	4.0
304.76328	0.8
315.18246	2.5
319.23090	0.9
325.20023	1.7
333.19354	1.1
349.23773	16.6
349.27570	1.2
355.23004	1.0
365.23495	1.8
367.22833	0.8
383.24225	4.8
385.23938	1.8
391.74179	0.8
397.25861	1.5
399.23843	3.7
401.23453	2.3
403.24847	1.1
407.27887	2.1
409.26001	2.1
419.24512	1.2
421.25781	7.6
451.27148	0.9
457.26068	1.0
458.26654	0.9
459.27728	1.1
461.28937	0.8
475.27057	3.1
476.27972	2.9
491.33591	1.7
493.27676	4.0
503.33762	12.8
511.28583	1.0
518.32758	1.1
519.33594	1.4
521.34790	1.5
591.35327	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	838.4796
Annotation	Unknow
Peak:m/z	Relative Intensity
59.05003	46.2
60.46835	0.8
61.02919	4.1
61.85568	0.8
65.03920	4.2
67.05506	100.0
69.03432	8.1
69.07068	33.9
70.06567	1.2
71.01367	2.6
71.04994	9.7
71.16424	1.4
71.16759	1.3
73.02916	4.1
77.03951	1.5
79.05495	39.6
81.03416	26.3
81.07059	47.9
83.04984	11.1
83.08620	22.2
85.02901	8.2
85.06526	3.4
87.04472	40.6
87.04879	0.7
91.03941	1.3
91.04906	2.0
91.05482	41.8
93.07043	32.2
93.96955	0.9
95.01345	0.9
95.04967	14.1
95.08613	27.1
97.02902	7.6
97.06536	9.4
97.10169	18.7
99.04455	10.8
99.08092	2.6
101.05941	1.0
102.79537	1.0
105.03394	0.9
105.04529	1.4
105.07035	22.8
107.04968	9.8
107.08597	21.5
109.02901	2.6
109.06524	6.3
109.10159	73.9
111.04439	3.2
111.08080	8.7
113.06025	1.0
113.09593	1.6
115.03953	1.6
115.05452	1.6
117.07021	9.6
119.08579	23.4
121.06508	5.9
121.10139	11.7
123.04433	1.6
123.08074	5.2
123.11714	2.5
124.64112	0.9
125.09636	17.2
125.10544	1.1
127.03914	2.4
129.05513	4.3
129.06993	6.3
129.98325	1.0
130.07802	1.5
131.08563	11.1
133.06506	2.7
133.10135	15.1
135.08057	4.2
135.11699	10.0
137.09627	11.9
139.11148	0.9
141.09151	1.3
143.08615	4.5
145.06558	1.4
145.10139	10.5
147.08076	3.0
147.11681	7.5
149.09625	12.6
149.13177	1.2
151.11195	3.4
153.09167	1.3
153.12697	2.0
155.08499	1.2
155.10660	6.2
157.08804	1.7
157.10114	6.3
159.08150	1.0
159.11691	6.5
161.09627	3.9
161.13289	4.7
163.11200	11.1
165.09113	1.1
165.12752	1.3
167.10620	1.1
169.10094	1.8
171.10204	1.7
171.11562	1.8
173.04422	2.3
173.09589	1.6
173.10143	1.4
173.11766	25.5
173.13228	2.3
175.11198	5.1
177.12769	2.6
179.10689	1.2
179.14301	3.3
181.12206	2.6
184.07373	1.5
185.13272	1.6
187.11269	2.1
187.13164	1.3
189.11246	2.8
189.12819	1.3
191.10751	1.8
193.12222	8.1
195.13840	1.1
199.13275	7.8
205.12276	1.2
209.11702	4.4
211.13277	3.4
217.14301	1.3
219.13652	1.1
223.13310	3.3
225.26877	0.9
227.12750	8.3
229.14354	54.9
231.14030	1.1
239.18185	1.2
241.14478	2.4
243.16026	1.4
253.14383	1.9
255.15923	2.9
257.19000	3.9
265.14334	1.3
267.15906	18.4
273.18509	3.0
275.20068	18.0
283.15469	3.2
285.16855	1.5
291.19687	5.3
293.21155	2.3
297.16891	1.2
299.15021	2.1
301.16620	1.6
314.97650	1.0
315.17993	3.4
325.20010	3.9
333.19141	1.5
349.23734	16.9
365.23230	1.9
383.24591	5.6
397.25757	1.8
399.23816	2.3
403.24588	1.0
407.28174	4.2
409.25592	1.4
421.25891	6.0
447.27295	1.2
458.19510	0.9
458.26685	2.4
475.26871	2.2
476.27405	2.5
491.33878	1.2
493.28082	2.9
503.33713	18.5
518.32190	1.5
521.34375	2.0
623.36658	1.3
734.43164	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	838.4792
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04995	3.8
59.46777	0.9
63.27726	0.9
65.03929	2.4
67.05507	75.7
69.03439	5.5
69.06732	1.2
69.07072	18.4
69.24978	4.8
69.25397	2.7
71.01332	1.8
71.04998	6.3
73.02906	3.0
76.19131	0.8
79.05495	33.5
81.03420	100.0
81.07059	36.1
82.07365	0.9
83.01328	1.3
83.04983	11.9
83.08626	25.2
85.02899	9.2
85.06541	3.6
87.04454	3.3
91.05486	30.3
93.06483	1.7
93.07048	23.7
95.04972	30.2
95.08610	16.2
97.02894	7.6
97.06551	6.2
97.10170	17.0
98.21545	1.5
99.04407	0.9
99.08074	2.4
101.06059	0.9
105.07033	17.5
107.04957	14.8
107.08601	15.2
109.02895	1.3
109.06520	9.6
109.10162	53.8
111.04455	5.0
111.08112	9.8
115.05400	1.4
117.07029	6.6
119.04939	2.8
119.08581	22.1
121.02721	1.1
121.06505	8.6
121.10135	11.1
123.04417	3.5
123.08113	4.1
123.11687	1.2
125.09644	11.3
129.05472	3.1
129.07011	11.8
130.07776	0.9
131.04907	1.8
131.08560	14.6
133.06526	5.9
133.10139	7.6
135.04483	1.1
135.08115	4.7
135.11696	6.3
137.05962	2.7
137.09656	4.2
141.07039	1.3
142.07748	2.7
143.07077	1.4
143.08525	2.0
143.10641	1.8
145.06491	3.1
145.10150	6.8
147.04411	5.7
147.08092	6.3
147.11674	9.0
149.06017	1.2
149.09621	8.2
153.09117	3.1
153.12730	5.2
155.08565	2.3
155.10696	5.5
157.08803	1.4
157.10104	12.6
159.08104	1.9
159.11726	1.3
161.05957	1.0
161.09619	3.3
163.11186	12.1
165.12791	2.4
169.10234	1.2
171.08005	1.4
171.10211	1.7
171.11662	1.7
173.09578	3.2
173.11732	12.8
173.13190	2.0
175.11182	8.4
181.12256	6.5
185.09561	1.0
185.13319	1.5
187.11151	1.6
189.11253	5.0
189.12680	1.1
191.10654	4.6
191.14249	1.0
193.10399	1.6
193.12248	32.4
199.11311	1.1
199.13284	2.4
203.14346	1.5
205.12241	2.7
209.11777	8.0
211.13277	10.2
213.12688	1.3
217.12419	1.1
217.14340	2.3
219.13776	4.6
221.15390	1.1
223.13286	0.9
225.14833	1.5
227.12784	16.5
229.12459	1.8
229.14359	43.7
231.13770	3.2
233.15407	1.2
235.13211	1.8
241.12044	1.3
243.13736	1.1
247.13239	4.1
249.14827	6.2
257.14020	1.2
259.13153	4.5
260.61670	1.0
267.15921	80.5
268.16296	1.0
273.14978	1.5
273.18454	4.2
277.14822	0.8
283.15402	11.8
289.14832	0.9
289.18076	2.6
291.19775	0.9
293.17386	1.6
295.15378	1.3
299.19583	1.0
301.16559	8.7
309.16895	2.0
321.16971	2.5
329.21136	1.3
333.17081	1.3
337.21127	1.0
339.22934	1.2
347.22104	2.4
349.21658	1.0
351.18213	1.3
355.22623	1.9
363.21518	1.4
365.21164	2.7
367.22696	3.1
373.23575	2.4
383.22177	8.0
385.23752	4.8
391.24911	2.0
399.23776	13.4
401.23312	10.9
403.24673	3.6
419.24277	3.3
421.25912	22.9
441.26370	1.4
457.25769	3.9
458.26599	10.7
459.27213	6.3
475.26999	15.8
476.21478	1.4
476.27740	17.8
477.28003	2.8
493.27969	14.4
511.29407	4.3
518.32520	4.8
591.35266	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	834.5567
Annotation	Unknow
Peak:m/z	Relative Intensity
59.05003	2.4
60.08155	2.0
61.02913	3.5
61.87460	1.0
65.03950	1.7
67.05510	49.4
69.03414	2.0
69.07069	14.7
69.67735	6.2
71.04992	2.0
71.08238	1.4
71.08634	24.0
73.02909	2.2
79.05502	13.1
81.03430	7.8
81.06587	1.5
81.07061	27.9
83.04964	3.8
83.08619	16.4
84.31925	1.0
85.02901	11.0
85.06534	1.7
85.10181	13.5
86.09711	7.5
87.04466	3.8
89.06005	1.2
91.03956	1.8
91.05473	6.5
93.07050	9.1
95.04951	2.8
95.08066	1.5
95.08617	24.4
97.02901	4.9
97.06564	2.6
97.10177	14.3
98.21545	1.0
98.98465	1.1
103.03952	1.0
103.07577	0.9
104.50729	0.9
105.07018	2.3
107.04955	2.8
107.08597	7.4
109.06533	1.2
109.10162	44.6
111.04405	2.1
111.08079	3.1
111.11706	1.5
117.07007	1.8
119.08593	4.5
121.10126	2.8
123.08053	1.7
123.11674	1.9
125.00024	5.5
125.09638	11.0
129.05467	2.2
131.08543	1.6
133.10153	2.1
135.11697	4.3
137.09613	2.2
137.13283	1.2
143.10687	1.8
145.10097	3.8
153.12730	2.5
154.82304	0.9
155.10637	3.5
163.11221	6.1
167.20393	1.0
173.11737	12.4
181.12170	1.8
184.07350	24.5
189.11066	1.2
191.10695	1.3
193.12265	2.1
199.13284	5.8
209.11734	5.7
211.13258	1.1
227.12848	8.9
229.14351	44.1
239.23708	5.6
257.13947	1.1
257.24762	1.9
265.14200	1.2
267.15918	3.3
276.38501	1.1
283.15506	2.3
291.56937	1.0
301.16473	20.1
313.27374	100.0
399.23807	15.4
437.36243	3.3
455.37363	7.5
467.37317	25.7
521.38367	2.2
539.32916	1.2
539.39441	11.6
557.40015	3.4
637.36511	1.4
637.46716	25.0
834.55280	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	838.4794
Annotation	Unknow
Peak:m/z	Relative Intensity
59.05006	18.5
61.02915	6.5
65.03934	4.7
67.05505	100.0
67.12349	1.4
69.03432	18.5
69.07072	53.5
71.01343	6.1
71.04655	2.4
71.04999	30.8
73.02911	7.2
77.03945	2.4
79.05496	74.0
81.03420	89.2
81.07057	87.1
83.01347	1.9
83.04986	17.5
83.08619	27.0
85.02899	11.1
85.06550	11.0
87.04461	12.0
91.04902	2.4
91.05484	74.9
93.07046	65.6
95.04974	45.1
95.08606	30.4
97.02902	14.9
97.06534	77.2
97.10156	11.9
98.55397	1.7
99.04446	7.2
99.08081	5.8
103.03933	3.5
103.05459	5.2
105.04522	2.5
105.07032	47.2
107.04964	18.0
107.08598	32.5
109.02886	4.5
109.06536	25.2
109.10164	39.2
109.10848	1.3
109.26460	1.5
111.04418	5.0
111.08087	17.2
113.05997	4.6
115.05460	4.3
115.07572	34.8
116.04775	1.5
117.05386	1.7
117.07010	16.6
119.04970	3.2
119.08585	34.3
121.06496	16.8
121.10154	23.3
122.09613	1.7
123.04437	3.6
123.08066	13.6
123.11679	7.6
125.05984	3.5
125.09621	12.2
127.03925	5.0
127.07561	3.7
128.06169	2.6
129.05475	3.9
129.07002	17.8
131.04893	2.9
131.08578	31.6
133.06500	7.8
133.10114	24.0
135.04454	1.7
135.08073	13.9
135.11696	13.2
137.05983	1.9
137.09610	5.1
139.07536	9.3
139.11151	1.6
141.06981	3.1
142.07880	2.2
143.08577	10.9
145.04897	2.1
145.06482	5.6
145.10143	18.0
147.04465	2.5
147.08070	8.3
147.11690	13.8
149.05997	2.8
149.09616	13.4
149.13307	7.7
151.11194	5.7
153.09041	2.6
155.08566	2.4
155.10692	3.6
157.10107	18.1
159.08058	5.7
159.11650	9.8
161.09619	5.4
161.13225	2.1
163.11198	13.2
165.12762	4.7
167.10776	1.6
169.10141	3.5
171.11632	4.7
173.04492	3.0
173.09596	5.1
173.11757	10.5
173.13309	4.3
175.11180	12.9
177.12675	5.8
181.12282	3.1
183.11650	4.0
185.09659	1.9
185.13210	4.0
187.11188	2.4
187.13235	3.8
187.14787	1.9
189.11211	3.9
191.10626	4.5
191.14304	1.7
193.12231	30.0
195.11853	1.6
195.13803	4.3
197.13501	1.6
199.13281	4.5
201.12694	2.1
205.12244	2.2
207.13712	2.3
211.13321	6.5
217.15959	3.5
219.13795	2.9
221.15344	2.2
223.13257	3.6
225.14873	7.7
227.12845	9.1
227.17929	2.1
229.14323	26.4
233.15384	3.9
241.14282	3.8
243.15889	16.4
245.15367	2.1
249.14885	4.4
253.14330	5.3
255.15819	3.5
259.15433	3.7
261.18500	3.2
267.15912	70.5
268.16653	1.8
269.17358	13.9
271.17157	2.8
273.18530	11.6
279.15964	2.1
283.15317	2.3
289.17950	6.8
291.19519	6.0
297.16824	2.3
299.18524	1.8
307.18982	2.0
315.17987	3.1
323.18777	2.2
343.22223	1.9
347.21991	5.6
349.23901	2.1
357.24167	1.5
365.23212	5.3
383.24371	2.2
409.25916	2.2
417.26437	3.4
421.25888	8.1
423.27521	8.4
435.27524	12.9
443.27722	5.1
447.27637	3.6
459.27347	3.3
460.28235	4.3
461.28986	28.0
467.30399	3.1
475.30869	1.6
477.28134	3.5
493.31870	9.3
501.32108	3.5
519.32776	3.3
527.32355	2.0
539.33197	3.2
541.34869	4.7
555.32788	1.7
557.34821	8.7
559.35785	2.8
573.35364	2.2
585.70984	1.8
611.54395	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	831.4712
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04992	0.3
59.75500	0.3
59.76405	0.3
60.74983	0.2
61.02927	6.2
61.92215	0.3
67.05508	4.9
69.03437	4.2
69.07072	0.3
71.01357	0.4
71.05001	0.5
71.08633	1.4
71.52398	0.3
73.02921	4.1
73.80041	0.2
79.05486	0.5
81.03417	1.7
81.07067	2.1
83.08649	0.7
85.02435	0.5
85.02915	6.4
85.03433	0.4
85.06520	0.2
85.10192	0.9
86.09715	1.2
87.04483	0.5
91.03969	4.0
91.05494	0.8
92.05869	0.3
93.07040	0.4
95.08620	1.7
97.02894	5.9
97.10175	0.5
99.04463	1.2
101.02385	2.3
103.03953	0.4
107.08576	0.5
109.02893	0.9
109.10161	4.8
109.10838	0.4
115.03943	0.4
119.08550	0.5
123.11726	0.3
125.00055	0.4
127.03931	1.9
135.11678	0.3
145.04980	0.7
155.10722	0.4
173.11731	2.2
184.07329	1.7
185.04242	1.6
185.07858	0.3
195.09955	0.6
203.05240	0.5
229.14468	1.0
234.34581	0.3
239.23772	0.5
243.08427	2.0
251.12547	0.6
313.27429	1.1
342.73358	0.3
347.09485	3.1
365.10721	1.0
405.13718	6.1
413.17844	11.8
421.13388	0.3
497.30865	6.2
507.36728	0.4
535.29016	0.4
565.22614	0.3
575.23157	11.5
659.36096	6.5
669.41760	3.6
771.47424	0.4
772.47949	0.7
831.47046	100.0
832.47412	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	831.4712
Annotation	Unknow
Peak:m/z	Relative Intensity
60.08162	0.7
61.02923	6.6
61.20956	0.4
67.05515	4.5
69.03431	4.0
69.07091	0.6
70.14821	0.4
71.05001	1.0
71.07365	0.7
71.08633	2.2
71.52729	0.6
73.02926	3.8
73.75513	0.4
74.50739	0.4
79.05487	0.9
81.03426	1.8
81.07072	1.8
83.08639	1.6
85.02905	6.3
85.10175	1.3
86.09705	4.4
87.04496	0.5
87.10076	0.8
91.03957	4.5
93.07044	0.7
95.08633	1.9
97.02892	6.5
97.10173	0.4
98.98496	0.6
99.04482	0.9
101.02384	2.2
105.07006	0.5
109.02876	1.0
109.10175	4.0
115.03907	0.5
119.08672	0.6
123.11726	0.7
124.44839	0.5
125.00027	2.9
127.03913	1.9
145.04970	0.8
173.11789	1.1
184.07352	13.0
185.04251	1.0
185.07793	1.3
195.09976	0.9
229.14490	0.8
239.23724	0.6
243.08563	1.4
313.27524	1.7
347.09558	2.8
365.10617	1.1
374.76096	0.5
405.13782	5.9
413.17758	7.4
467.91147	0.5
497.30942	8.3
575.23175	6.1
659.36066	8.5
669.42133	3.0
831.47058	100.0
832.47217	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	830.5542
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06631	0.4
59.07404	0.1
60.08166	6.6
63.42879	0.1
67.05510	0.3
69.70148	0.6
70.06594	0.2
71.04996	0.1
71.07375	4.0
75.84693	0.1
79.05495	0.3
80.76887	0.1
81.07043	0.4
85.46151	0.1
86.09709	32.4
87.10046	0.2
91.05464	0.1
93.07040	0.3
95.08626	0.2
97.02917	0.1
98.98470	3.8
104.10748	3.0
105.07024	0.2
107.08583	0.2
109.10157	0.3
117.41255	0.1
119.08600	0.2
125.00011	21.3
131.08589	0.1
143.01051	0.2
143.65939	0.1
166.02672	0.2
184.07346	100.0
185.07645	0.6
355.96939	0.1
384.78619	0.1
518.32605	0.2
586.29047	0.2
712.45477	1.6
776.51538	0.2
794.53259	2.5
812.54266	5.0
830.54279	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	830.5534
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06607	0.3
59.07395	0.2
60.08168	5.6
61.02910	0.1
65.03957	0.1
65.47627	0.1
67.05495	0.4
69.16021	1.6
70.06601	0.3
71.07381	2.9
79.05499	0.4
81.07045	0.3
83.08656	0.2
86.09711	28.7
87.10048	0.5
93.07046	0.4
95.08578	0.2
98.20809	0.4
98.98467	3.0
104.10751	2.4
105.07069	0.2
107.08630	0.2
117.07084	0.2
119.08604	0.3
125.00013	19.6
133.10161	0.2
145.10135	0.2
154.88194	0.2
164.62358	0.1
175.13495	0.2
183.03281	0.2
184.07350	100.0
185.07704	0.9
186.07758	0.3
255.72603	0.2
422.53494	0.2
535.28107	0.3
536.28363	0.2
650.45441	0.2
724.45544	1.6
778.41760	0.2
778.53870	2.5
794.52350	0.7
812.52765	0.4
830.51178	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	829.5069
Annotation	Unknow
Peak:m/z	Relative Intensity
60.08158	0.5
60.42675	0.3
61.02925	4.5
65.03944	0.4
67.05507	4.2
69.03432	2.8
69.07073	1.3
70.06570	0.3
71.04995	0.5
71.08627	0.5
73.02924	3.6
79.05493	5.6
81.03427	1.5
81.07055	4.3
83.05009	0.7
83.08630	0.6
85.02910	4.1
86.09703	2.4
87.04482	0.5
91.03954	3.2
91.05479	4.6
92.65974	0.4
93.07048	6.4
95.04978	1.3
95.08614	3.2
97.02898	4.1
97.10154	0.5
98.79206	0.3
98.98480	0.4
99.04471	1.0
101.02374	1.7
103.03960	0.5
104.10729	0.4
105.07030	4.2
107.08580	3.1
109.02879	0.5
109.06499	0.5
109.10158	1.3
115.03939	0.4
117.07055	1.3
119.08572	3.5
121.10175	2.0
123.04408	0.6
125.00027	1.4
127.03925	1.2
129.05493	0.9
129.07027	0.8
131.08607	1.5
133.10132	3.1
135.11678	1.8
143.08548	0.5
145.05009	0.5
145.10172	1.1
147.11693	2.1
149.13246	0.6
159.11723	1.2
161.13269	0.8
184.07341	7.3
185.04303	1.5
185.07755	0.8
201.03737	0.7
241.06784	0.5
243.08366	4.4
248.96706	0.3
259.20670	1.0
273.14999	0.3
283.69370	0.3
287.16147	0.7
299.20023	0.3
301.08966	2.8
301.14554	0.4
313.27560	1.2
315.10620	1.3
317.20825	1.6
357.15234	0.5
369.15421	0.4
373.11093	0.4
373.23303	0.4
383.16528	0.4
385.18085	0.7
397.18475	0.7
429.17682	0.4
437.21948	0.5
439.39398	0.4
465.20987	2.9
495.22357	0.8
499.34378	0.3
517.28125	0.5
525.23285	1.7
535.28809	15.0
536.29230	0.5
607.31061	1.9
635.34241	0.5
646.60120	0.4
677.38544	0.4
691.39728	0.5
731.43335	0.4
829.50702	100.0
830.50964	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	827.4908
Annotation	Unknow
Peak:m/z	Relative Intensity
59.59126	0.6
60.08179	0.5
61.02933	4.0
67.05506	8.0
69.03441	2.4
69.07072	3.4
71.05006	0.6
71.08637	1.8
73.02923	3.1
73.57970	0.5
79.05489	3.6
81.03428	1.7
81.07047	4.8
83.05015	0.9
83.08616	1.3
85.02913	4.4
85.10184	1.2
86.09721	2.8
91.03946	2.8
91.05488	4.4
93.07066	5.3
95.04990	1.0
95.08612	3.9
97.02888	2.8
97.06589	0.6
97.10158	0.5
98.98499	0.6
99.03819	0.6
99.04463	0.9
101.02404	1.6
105.07038	5.1
107.04999	0.9
107.08599	3.1
109.10147	5.4
110.10503	1.1
117.07029	1.6
119.08574	2.9
121.10167	2.2
125.00007	1.6
127.03943	1.4
131.08620	1.4
131.62506	0.6
133.10153	2.0
135.11700	1.5
145.04979	0.7
145.10152	1.2
147.11696	1.0
149.13295	1.1
171.11650	0.7
173.11899	1.3
174.12212	0.8
179.14357	0.7
184.07358	8.0
185.07910	0.7
229.14359	8.0
229.16287	0.8
230.12433	0.6
230.14757	2.6
243.08466	3.1
243.10884	0.6
313.27344	4.0
314.27847	3.3
315.10504	1.0
315.19315	4.7
371.22028	1.0
373.11423	0.8
397.18503	0.8
465.21277	0.6
467.37564	2.4
468.37650	5.0
533.27332	8.2
535.28821	6.1
605.29163	0.9
619.30273	0.8
664.89795	0.7
827.49188	100.0
828.49933	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	829.5071
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02930	5.7
67.05510	6.3
69.03435	3.9
69.07065	2.0
69.43274	3.0
69.43680	1.3
73.02925	4.4
79.05505	4.3
81.03426	2.2
81.07069	6.6
83.08614	1.2
85.02911	5.8
86.09708	1.1
91.03961	3.9
91.05495	2.9
93.07054	4.5
95.08616	4.1
97.02901	5.6
97.06566	0.8
99.04477	1.2
101.02397	2.9
105.07062	2.3
107.08605	2.8
109.02895	0.9
109.10175	1.6
117.07034	0.9
119.08607	1.0
121.10165	1.9
127.03902	1.5
131.08554	1.3
133.10167	1.2
135.11754	1.6
149.13260	0.8
161.13365	0.8
184.07390	3.5
243.08508	2.9
302.55801	0.7
333.20361	3.6
437.12222	0.6
519.29333	6.9
551.28241	5.4
829.50726	100.0
830.51434	4.8
842.78235	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	827.4378
Annotation	Unknow
Peak:m/z	Relative Intensity
60.08085	0.7
60.08346	0.5
60.33880	0.3
61.02823	3.4
61.03167	0.9
67.05399	7.5
67.05797	1.4
67.66548	0.3
69.03320	2.1
69.06957	2.0
71.04910	0.6
71.52565	0.3
71.53040	0.4
73.02802	2.7
79.05381	2.3
81.03307	1.9
81.06934	3.9
81.07458	0.9
83.04892	0.8
83.08492	1.2
85.02782	3.9
85.06436	0.5
86.09581	3.5
87.09939	0.5
91.03831	2.6
91.05354	2.4
93.06915	2.1
95.04838	1.0
95.08481	2.7
97.02761	3.7
97.10065	0.8
98.98374	0.4
99.04373	0.7
101.02255	1.5
104.10676	0.6
105.06879	1.7
107.08459	1.3
109.10017	6.6
111.07977	0.6
117.06903	0.8
119.08439	2.0
121.10023	1.1
123.04269	0.6
124.99990	2.2
125.09562	0.4
127.03761	1.6
131.08464	0.9
133.09981	1.2
135.11545	1.2
137.09550	0.4
145.09975	0.7
147.11612	0.7
149.09521	0.5
149.13152	0.4
155.10567	0.6
159.11539	0.6
163.03867	0.7
163.11073	0.5
173.11758	2.5
184.07343	14.2
185.04147	0.8
185.07733	1.9
195.09801	1.2
217.07071	0.5
229.14203	1.3
243.08391	3.5
251.12556	0.5
267.08871	1.3
269.10358	0.8
283.15234	0.6
285.09879	0.9
287.11478	0.4
301.08789	0.9
315.09839	0.4
333.20297	2.5
389.22867	0.8
413.17868	13.2
439.19189	0.8
443.18848	0.5
453.20880	0.9
465.21472	0.5
469.20428	0.6
485.17319	1.0
486.18698	0.4
499.21448	0.4
501.23135	0.8
551.28308	7.5
552.28827	0.4
573.24402	0.5
615.32587	0.4
625.32062	0.5
637.32196	0.5
639.30145	0.8
657.30896	2.6
699.35370	0.9
723.39233	100.0
724.39691	4.0
737.34705	0.6
741.36218	0.5
781.43176	0.6
809.42639	1.2
827.42352	33.1
828.42706	1.3
834.16711	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	827.4401
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04996	0.9
61.02934	6.7
67.05511	7.2
67.86028	0.5
69.03423	3.8
69.07070	1.9
69.93775	2.7
70.31874	0.5
71.04996	2.1
73.02926	4.3
79.05489	3.8
81.03418	5.6
81.07047	4.0
81.87879	0.5
83.05000	0.9
83.08619	1.5
85.02920	6.4
85.06548	0.8
85.69862	0.6
86.09698	0.7
87.04443	0.7
91.03967	3.8
91.05489	4.2
93.07050	3.0
95.04982	2.0
95.08609	2.2
97.02904	4.8
98.08739	0.5
99.04478	1.6
101.02382	2.5
105.07062	2.0
107.08613	2.1
109.02859	1.3
109.06558	0.8
109.10152	4.7
111.08082	0.9
115.03930	0.8
119.08585	2.9
121.06554	0.6
121.10152	2.5
123.04411	0.6
125.00034	0.8
127.03933	2.3
129.05501	1.9
129.07030	0.7
131.08591	1.5
133.10159	1.8
135.11769	1.3
147.11755	1.8
149.09662	2.0
149.13223	0.6
155.10735	0.7
157.10194	1.2
159.11731	0.6
163.03979	1.6
173.11729	1.3
175.11324	0.8
184.07356	4.0
185.04208	3.4
191.22643	0.5
193.12325	1.7
201.03683	0.6
203.05402	0.6
211.06380	0.7
211.13379	0.5
223.13278	0.7
225.14941	0.6
227.05196	0.6
229.14459	0.7
241.06874	0.7
243.08385	5.6
251.12781	0.9
259.08115	0.8
263.12888	0.7
265.14246	0.9
267.16003	1.2
283.15186	10.0
301.08960	10.1
309.16837	1.7
313.09314	0.6
315.10428	2.5
323.18341	2.5
333.20346	0.6
339.18082	1.3
341.12213	0.9
357.15283	1.1
367.17297	0.6
373.11041	4.5
381.18896	4.6
385.18304	6.6
395.20587	1.2
399.20175	1.7
399.25873	0.5
401.14276	0.8
413.17804	7.6
415.16071	0.7
427.19360	5.9
429.17657	1.6
439.19284	3.4
441.21136	1.1
453.21295	0.8
457.20770	1.1
465.28125	2.9
469.20242	2.6
471.22122	0.7
481.20383	7.3
483.22040	1.7
485.20346	1.0
499.21295	3.1
501.23196	24.6
511.28741	1.6
516.22107	1.1
517.22137	0.8
529.22589	9.7
545.22101	0.8
551.28326	2.6
567.28601	0.6
573.25116	8.3
587.26935	2.6
601.28546	2.4
613.31873	2.1
615.30225	1.4
629.31433	1.0
643.33160	2.0
657.31042	1.6
673.33795	3.5
699.35663	7.8
723.39349	31.8
724.38873	1.0
741.36664	29.3
742.36804	0.7
781.43359	0.9
809.43237	2.7
810.14197	0.7
827.43964	100.0
828.44226	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	827.4398
Annotation	Unknow
Peak:m/z	Relative Intensity
58.01760	0.3
59.04999	0.8
61.02927	3.9
61.03217	0.3
62.45580	0.3
65.03951	0.3
67.05508	3.9
69.03436	3.6
69.07070	2.1
69.43206	1.6
69.43620	0.6
71.01331	0.3
71.04997	2.3
73.02929	3.4
79.05495	4.2
81.03424	4.7
81.07064	3.8
83.04999	1.3
83.08621	0.9
85.02907	4.2
85.03380	0.4
85.06561	0.4
87.04473	0.6
91.03961	3.0
91.05492	4.1
93.07052	3.5
95.04990	2.1
95.08603	1.6
97.02902	4.0
97.06532	3.9
97.10230	0.4
99.04459	0.7
101.02398	1.5
103.03981	0.5
105.07041	2.7
107.04997	0.8
107.08600	2.0
109.02892	0.5
109.06569	0.5
109.10181	0.8
111.08106	0.9
115.03961	0.3
117.07067	1.1
119.08595	1.9
121.06500	0.4
121.10184	1.7
123.08097	0.3
125.09741	0.4
127.03902	0.9
129.07025	1.3
131.08559	2.1
133.06458	0.3
133.10158	1.6
135.11664	0.4
137.05794	0.8
147.11652	1.8
149.09602	2.2
157.10210	1.0
163.03912	0.6
175.11267	0.8
184.07367	1.2
185.04266	0.5
193.12177	1.9
197.15395	0.4
200.25519	0.3
203.05321	0.4
211.13531	0.4
225.14816	0.7
243.08389	2.8
259.08072	0.5
267.16061	0.7
268.08392	0.3
283.15182	3.5
319.18860	0.5
339.17834	1.1
340.28122	0.3
349.19861	6.6
349.23807	0.4
402.11533	0.4
403.13889	0.4
405.22668	1.0
413.17908	0.3
439.19333	2.2
453.21191	1.4
469.20511	0.6
501.23120	13.9
567.27783	8.3
573.25543	0.5
636.20612	0.3
665.38745	0.6
699.35742	0.6
713.37384	0.4
737.36932	0.6
827.43958	100.0
828.44281	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	826.5167
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04975	2.1
60.08172	4.0
60.36044	0.5
61.02929	9.8
62.30425	0.4
65.03916	1.1
67.05507	55.8
69.03403	1.3
69.07072	5.4
71.04967	2.1
71.07346	1.9
71.08634	17.0
71.51974	0.8
73.02908	3.1
77.93207	0.4
79.05462	1.7
81.03395	1.4
81.07059	13.9
83.08616	10.2
85.02909	10.5
85.06516	1.9
85.10181	10.0
86.09709	18.8
89.06023	0.8
91.03960	7.6
91.05474	4.1
93.07058	2.9
94.74632	0.5
95.08610	16.4
97.02893	5.7
97.06512	0.6
97.10172	3.3
98.98442	1.6
99.04415	0.6
99.11726	1.0
103.07555	0.8
104.10727	1.9
105.07026	0.8
107.08553	1.4
109.10159	62.9
111.08045	2.1
115.03925	0.7
119.08594	4.0
121.10046	0.6
123.11676	2.0
125.00005	11.9
125.13296	0.7
127.03915	2.8
128.07590	0.4
128.49059	0.4
137.09593	1.7
137.13246	1.3
145.04953	3.9
155.10698	5.4
163.06009	3.7
173.11736	15.0
184.07349	58.2
229.14352	82.9
230.14699	1.1
239.23708	2.4
240.82446	0.5
257.24759	1.6
298.81686	0.5
313.27368	83.8
314.27701	2.1
373.18716	0.6
467.37347	100.0
468.37643	2.3
522.19104	0.5
555.48407	0.6
711.24243	0.5
718.18915	0.6
766.54474	0.7
767.44586	1.1
808.49957	0.8
826.52075	5.5
827.49744	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	826.5155
Annotation	Unknow
Peak:m/z	Relative Intensity
59.05008	2.3
61.02929	8.8
65.03941	0.8
67.05507	49.2
69.03422	1.4
69.07067	4.5
70.92345	0.6
71.04996	2.4
71.08635	12.4
73.02905	2.7
73.80709	0.4
78.34479	0.4
79.05489	1.5
81.03429	0.8
81.07059	11.8
83.08150	0.5
83.08625	7.9
85.02907	12.1
85.06505	1.9
85.09668	0.4
85.10184	7.7
86.09704	1.3
89.06030	0.7
89.62409	0.3
91.03953	6.6
91.05494	2.3
93.07057	2.6
95.04977	0.3
95.08608	12.0
97.02901	5.7
97.10184	2.8
99.04437	0.6
99.11726	0.7
103.07610	0.5
107.08603	1.4
109.02856	0.4
109.10158	54.8
111.08075	1.5
119.08593	3.7
123.11697	1.4
125.00012	0.5
127.03912	1.7
137.09610	2.2
137.13260	0.9
142.12730	0.4
145.04962	3.6
155.10664	7.4
157.89304	0.4
163.05989	4.3
173.11748	13.0
184.07307	2.0
185.74789	0.3
206.18031	0.4
210.26334	0.4
229.14354	100.0
230.14647	0.8
239.23695	1.5
257.24750	1.8
313.27362	78.1
314.27698	1.1
373.18768	0.6
467.37347	68.2
468.37552	1.6
826.47815	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	825.4257
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04997	0.8
61.02927	3.7
65.03948	0.4
67.05508	8.9
69.03436	3.0
69.07071	2.6
69.50566	2.6
71.01340	0.5
71.04997	2.3
73.02931	3.2
73.75354	0.4
79.05487	3.3
81.03415	3.4
81.07057	3.4
83.04962	0.5
83.08624	1.3
85.02905	4.2
85.06558	0.5
85.72558	0.4
86.09717	0.5
87.04491	0.6
91.03960	2.8
91.05479	2.4
93.07074	2.0
95.04980	0.6
95.08614	1.1
97.02898	4.8
97.06573	0.4
97.10178	1.2
99.04474	0.8
101.02380	1.8
105.07040	1.2
107.04948	0.5
107.08595	2.3
109.02887	0.9
109.10158	9.4
111.04449	0.5
111.08069	0.6
111.18926	0.4
117.07057	0.4
118.96976	0.4
119.08597	1.3
121.10146	0.6
121.31483	0.4
122.11971	0.4
123.08077	0.4
125.09635	1.0
127.03937	1.1
131.08604	0.7
133.10178	0.6
135.08054	0.7
135.11688	0.8
137.09630	0.9
145.10089	0.6
147.11694	0.4
148.50485	0.4
151.32315	0.3
155.10696	0.6
163.11150	0.5
173.11726	2.2
180.66670	0.3
184.07391	0.9
185.04282	0.7
193.12247	0.5
195.09984	1.0
195.11703	0.4
217.25272	0.4
223.13374	1.4
229.07509	0.7
229.14328	2.3
243.08476	3.3
247.08711	0.6
251.12509	0.5
267.09140	0.5
283.15515	0.5
285.10196	0.6
291.19525	2.0
301.09146	0.6
331.18829	1.9
335.25848	0.7
387.21536	0.4
395.68668	0.5
413.17819	13.2
485.20306	0.5
509.63446	0.4
549.26715	7.1
559.32275	0.4
592.70630	0.4
623.30170	0.5
655.27643	1.4
721.37683	100.0
722.37939	3.4
747.39832	0.9
807.40570	0.9
825.41394	12.2
826.48389	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	825.4249
Annotation	Unknow
Peak:m/z	Relative Intensity
59.05002	1.4
61.02933	4.0
67.05512	9.9
69.03434	3.3
69.07082	2.3
71.01356	0.7
71.04996	1.1
71.52097	0.5
73.02921	2.5
79.05510	3.3
81.03439	3.3
81.07072	4.2
83.04984	1.0
83.08632	1.5
84.08982	0.5
85.02914	4.0
85.06537	0.6
87.04482	0.9
91.03962	2.5
91.05497	3.2
93.07044	3.6
95.04990	1.6
95.08622	2.0
97.02909	3.9
97.06547	0.9
97.10194	2.0
99.04451	0.9
101.02402	1.6
105.07072	1.7
105.19483	0.4
107.04991	0.8
107.08626	1.8
108.27469	0.4
109.02895	0.5
109.06557	0.6
109.10163	9.2
110.10503	0.6
111.04427	0.4
111.08099	1.1
117.07055	0.7
119.08620	1.9
121.10168	0.8
125.09653	1.2
127.03946	1.8
131.08612	0.8
133.10164	1.9
135.08102	0.4
135.11685	0.7
137.09645	0.7
139.03873	0.5
145.10147	1.0
147.08086	0.6
147.11803	0.5
149.09657	0.5
151.11156	0.7
155.10696	0.5
157.10114	0.6
163.11220	0.7
170.46819	0.4
173.11748	2.5
184.07394	0.9
185.04306	0.9
191.61075	0.4
193.12276	0.9
195.10002	1.2
223.13339	1.2
229.07454	0.5
229.14343	3.1
230.14656	0.7
243.08406	3.1
267.09073	0.6
267.16013	1.1
273.18536	0.5
291.19684	1.0
331.18741	2.5
413.17828	13.6
413.23065	0.9
424.27692	0.5
428.81369	0.5
499.21436	0.5
549.26660	6.0
623.30743	0.5
637.31921	1.7
655.33636	0.5
721.37732	100.0
722.37775	3.0
807.39246	0.7
825.42120	10.1
826.41943	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	824.5516
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02927	2.5
65.03935	2.8
67.05504	49.1
69.03415	2.4
69.07063	18.5
70.62273	1.6
71.04994	2.4
71.17178	3.5
73.02884	1.8
77.12833	1.3
79.05495	44.7
81.03435	2.3
81.07059	46.2
83.04966	4.2
83.08614	11.7
84.04472	1.9
85.02906	3.9
85.06532	3.2
86.09703	2.7
91.04907	2.7
91.05477	49.7
93.07045	48.4
93.07637	2.2
95.04963	5.1
95.08611	34.8
97.02889	2.1
97.06514	2.5
97.10154	3.0
99.08076	2.2
103.05476	1.7
105.07035	47.9
107.08593	26.9
107.25418	1.7
107.79339	1.6
109.10168	15.6
111.08073	2.4
112.65890	1.4
115.05489	3.2
117.07021	28.5
119.08582	35.4
121.10139	16.5
123.11695	5.0
125.09695	1.8
128.06233	2.8
129.07013	17.4
131.08565	30.8
133.10133	27.5
135.08014	1.9
135.11690	9.9
141.06947	8.1
142.07770	5.4
143.08557	17.6
145.10121	28.4
146.10806	1.6
147.11696	18.9
149.09653	2.3
149.13232	6.4
154.07759	1.9
155.08560	13.2
156.09361	2.6
157.10124	15.3
159.11708	17.5
161.13228	9.4
167.08603	3.5
168.09422	1.7
169.10161	12.9
171.11710	17.2
173.13277	10.1
175.11319	2.2
175.14816	3.2
177.12761	1.5
179.08522	2.5
181.10150	7.3
183.11646	12.7
184.07324	9.8
185.13217	8.7
187.14844	5.2
189.16385	3.1
195.11726	6.8
197.13258	9.8
199.14824	7.1
201.16470	2.8
209.13219	8.3
211.14845	6.6
213.16389	4.8
216.16721	1.6
223.14885	4.6
225.16408	4.8
227.17950	1.7
237.16367	2.2
239.17909	3.2
255.17181	1.8
257.19006	5.3
259.20630	5.8
277.19223	1.6
278.22614	1.7
281.22610	1.6
285.22189	2.1
301.21765	1.6
333.24268	7.1
379.30298	2.3
483.34741	1.9
487.34460	2.4
499.39478	1.8
501.35577	2.5
509.48309	1.6
517.40533	9.7
535.41479	4.7
539.37579	2.9
591.44183	9.0
598.43854	2.4
609.45166	100.0
610.45197	3.8
611.89368	1.8
771.50232	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	824.5519
Annotation	Unknow
Peak:m/z	Relative Intensity
60.08143	1.8
61.02907	2.6
65.03955	3.8
67.05506	82.0
68.81796	0.7
69.03429	7.8
69.07069	26.7
71.04998	4.4
71.07352	0.9
71.08643	0.9
73.02894	2.2
77.03933	0.9
79.05492	64.1
81.03420	10.0
81.07058	92.1
83.04982	8.9
83.08621	14.1
85.02900	5.4
85.06541	4.0
86.09693	5.7
91.05482	49.7
93.07044	69.9
95.04975	9.6
95.08608	53.6
97.02902	4.1
97.06536	10.3
97.10155	5.5
98.20722	1.9
99.04460	1.7
99.08067	3.5
103.05449	1.4
105.04521	2.4
105.07035	35.0
107.04939	5.1
107.08595	41.0
109.02868	1.5
109.06515	5.9
109.10163	24.3
111.04433	1.0
111.08091	4.5
113.09660	1.1
114.42809	0.8
115.05447	1.9
117.06215	1.5
117.07024	19.9
119.08582	29.8
121.06521	3.8
121.10144	29.8
123.08068	3.2
123.11714	5.5
125.00008	4.6
125.09628	3.2
127.03919	2.9
127.07565	0.8
128.06201	1.1
129.05479	1.9
129.07001	6.0
130.07793	0.9
131.08568	23.9
133.06502	1.8
133.10138	25.2
135.08029	2.8
135.11697	19.3
137.09610	3.6
137.13271	1.0
139.07487	0.9
141.06979	1.9
142.07701	1.1
143.08589	4.8
144.20772	0.8
145.06488	1.7
145.10120	15.5
147.07988	1.5
147.11687	12.8
149.09616	7.5
149.13272	10.6
151.11147	3.6
153.12807	1.5
155.08540	3.1
157.10104	4.9
159.07996	1.6
159.11679	15.9
161.09604	1.5
161.13286	7.4
163.11188	5.7
163.14821	2.5
165.09200	0.9
165.12726	1.7
167.08475	0.9
169.10107	3.0
171.11713	4.6
173.04472	2.2
173.09685	1.2
173.11827	1.2
173.13277	6.9
175.11192	1.3
175.14833	2.7
177.12740	3.1
179.14270	1.3
183.11691	3.1
184.07333	20.8
184.99661	0.7
185.07707	2.8
185.13266	3.3
187.14854	3.1
189.11313	1.4
189.12825	1.0
191.14287	1.2
195.12163	0.9
195.13747	4.1
197.13258	2.2
199.14806	1.2
201.16299	1.5
203.14412	1.1
211.14862	0.9
213.16487	1.0
215.14404	0.9
215.17970	1.0
217.15855	1.3
219.17436	2.3
227.12784	2.0
229.10738	0.8
229.14381	3.5
229.19478	1.7
231.17487	1.1
232.87270	0.8
235.16994	1.4
239.17969	2.8
243.21083	2.9
247.20683	1.8
251.16318	0.9
255.15887	7.4
257.18985	6.4
259.20663	2.9
261.22116	10.9
265.17792	0.8
267.15735	2.0
269.17459	22.8
275.20053	22.2
277.21637	1.8
283.19034	1.4
291.19519	1.2
293.20956	1.6
309.20416	4.7
317.24768	3.0
327.04095	1.0
331.22690	2.1
333.24310	2.9
335.25806	100.0
336.26135	2.2
349.23685	21.8
367.24771	3.7
382.59702	0.8
413.21579	1.5
437.33936	1.4
489.35757	3.2
505.35538	1.1
515.37372	12.6
529.38892	57.4
530.39301	1.4
533.37549	0.9
537.20819	0.8
543.40430	2.2
545.37695	0.9
547.38843	0.8
569.42029	13.0
605.01831	0.8
609.45074	28.7
619.56659	0.9
625.19189	0.8
627.46289	9.4
673.43182	1.9
824.55536	2.8
825.47656	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	823.5138
Annotation	Diboviquinone-4,4
Peak:m/z	Relative Intensity
59.05004	0.5
60.08163	1.9
61.02928	4.8
64.09112	0.4
65.03958	0.7
67.05504	11.7
68.05820	0.9
69.03436	4.4
69.07069	4.6
71.01337	0.5
71.04998	1.4
71.07373	1.2
71.08630	2.7
73.02919	3.5
79.05492	7.6
80.05842	0.9
81.03422	2.8
81.07054	11.3
82.07418	0.9
83.04993	2.8
83.08607	2.5
85.02911	5.1
85.06559	0.7
85.10193	1.6
86.09707	9.9
87.04469	0.4
87.10055	1.3
91.03959	3.2
91.05486	6.2
92.05814	0.8
93.07042	8.3
94.07368	1.0
95.04965	2.0
95.08604	8.5
96.08935	0.5
97.02888	5.1
97.06528	3.3
97.10191	1.5
98.20716	0.9
98.98480	1.0
99.04466	1.2
99.08057	0.4
101.02371	3.0
101.02931	0.4
104.10719	0.8
105.07038	5.0
106.07401	0.7
107.04977	1.5
107.08596	5.3
108.08934	0.7
109.02895	0.7
109.06512	0.8
109.10152	5.7
110.10518	0.6
111.08095	0.8
116.21422	0.4
117.07019	1.0
119.08587	2.8
121.06502	0.8
121.10149	2.1
122.10529	0.4
123.11729	1.5
125.00010	6.1
125.09625	0.6
127.03922	1.7
129.07025	0.9
131.08549	2.3
133.06503	0.4
133.10138	5.1
134.10498	1.3
135.08046	1.0
135.11729	1.8
137.09650	0.5
143.08583	0.6
145.10164	1.2
147.08067	0.5
147.11713	1.2
149.09648	1.0
149.13297	0.7
151.11166	2.1
152.11581	0.5
157.10210	0.6
159.08067	0.7
159.11719	0.9
161.09570	0.7
161.13258	0.5
184.07347	29.6
185.04251	1.1
185.07700	3.5
203.05209	0.5
221.11491	0.6
239.23785	0.4
243.08362	2.2
253.00798	0.5
253.14375	3.8
253.36383	0.4
254.14830	1.8
261.22049	0.5
273.18533	1.7
274.18903	1.2
291.19507	2.9
292.20044	1.8
313.27539	0.8
319.18842	0.9
335.25934	3.4
336.26102	3.4
347.22208	0.5
348.22943	0.4
349.19858	8.9
349.23846	0.8
365.23218	3.0
366.23489	2.5
405.22717	1.0
439.19321	2.3
450.02051	0.4
453.21060	1.1
481.24786	0.5
497.30820	5.5
531.36584	0.5
532.37152	0.5
567.27704	6.7
581.28467	0.5
608.44086	0.5
625.44788	1.5
626.44946	7.4
651.44025	0.6
661.46387	0.6
669.22980	0.5
671.21533	0.5
705.49194	0.8
814.09534	0.5
823.51709	100.0
824.51862	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	822.585
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	1.4
57.07083	0.3
58.06620	0.6
60.08163	6.1
67.05507	4.0
69.03431	0.4
69.07067	1.6
71.04992	0.3
71.07375	3.8
71.08588	0.2
79.05501	2.8
81.07059	4.1
83.04974	0.3
83.08604	0.6
85.06515	0.4
86.09708	31.3
91.05475	1.8
93.07054	2.9
95.04964	0.6
95.08604	2.7
97.02920	0.4
97.06560	0.3
97.10194	0.5
98.98474	3.1
99.08119	0.2
104.10752	2.9
105.07054	1.6
107.04960	0.4
107.08607	1.4
109.06510	0.8
109.10146	1.6
115.18276	0.2
117.07030	0.9
118.34708	0.2
119.08587	1.4
120.56989	0.2
121.10148	0.9
123.08116	0.3
123.11707	0.3
125.00010	21.9
125.09626	0.6
126.43552	0.2
127.07545	0.8
129.07031	0.3
131.08575	0.7
133.06483	0.3
133.10133	0.8
135.08067	0.5
135.11673	0.5
143.01128	0.3
143.08557	0.2
145.10130	0.5
147.08084	0.3
147.11685	0.5
149.13229	0.3
150.17009	0.2
151.11206	0.2
157.10126	0.6
159.11703	0.2
161.13353	0.3
171.11659	0.3
173.13307	0.2
179.46616	0.2
184.07346	100.0
185.07640	0.5
189.11247	0.2
198.08916	0.3
223.13274	0.4
227.12633	0.3
245.18901	0.3
273.18518	1.1
291.19553	5.1
307.93179	0.2
335.22049	0.4
335.25830	5.4
340.54712	0.2
360.99881	0.2
365.23181	2.8
496.33585	0.3
547.05865	0.2
607.43201	0.6
625.44702	4.8
650.44031	0.5
704.48633	3.7
754.52893	0.5
772.54645	2.7
786.55499	0.4
790.55817	1.1
804.57794	0.3
822.58801	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	822.5359
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	5.8
57.07076	1.5
60.08166	6.0
61.02901	1.2
65.03916	1.7
67.05508	36.8
69.03431	6.3
69.07072	20.1
69.86234	0.6
71.04979	1.7
71.07372	3.1
71.08615	0.9
79.05492	28.4
81.03426	3.6
81.07057	33.2
83.04972	2.6
83.08617	6.2
83.48724	0.6
85.02910	0.9
85.06544	1.3
86.09708	30.6
91.05482	18.4
93.07046	25.5
95.04959	5.2
95.07990	1.1
95.08608	23.2
95.65611	0.6
95.76049	0.6
97.02894	5.7
97.06525	2.7
97.10171	8.1
98.98471	3.1
103.05449	0.6
104.10727	2.1
105.04549	0.7
105.07031	12.8
107.04974	3.4
107.08602	16.7
109.02834	0.6
109.06503	1.9
109.10158	12.0
111.08102	1.2
116.06217	1.1
117.07029	7.1
119.08587	10.0
121.06490	2.2
121.10146	9.7
123.04384	0.7
123.08048	2.3
123.11689	2.6
125.00008	19.1
125.09611	5.5
127.07591	0.6
129.07008	2.3
130.07759	1.1
131.08563	7.6
133.06477	2.2
133.10141	5.7
135.08032	2.6
135.11693	5.3
137.09624	1.5
137.13252	1.2
143.08556	2.3
145.10120	4.9
147.08044	3.9
147.11650	4.0
149.09589	1.4
149.13248	3.1
151.11102	0.8
153.09132	0.7
157.10127	1.4
159.11737	2.9
161.09624	2.2
161.13235	2.0
162.10387	0.8
163.11162	1.0
163.14828	0.6
165.09087	0.7
165.12695	0.9
165.86093	0.6
171.11736	1.1
173.13187	1.4
175.11227	1.2
175.14854	0.8
177.12689	0.9
184.07344	100.0
185.07655	1.1
185.13342	0.7
187.14900	1.2
189.11227	2.3
193.12218	1.1
195.13600	0.7
205.12337	1.2
223.13274	11.5
227.12828	2.9
243.21089	1.4
245.13962	0.8
249.14897	2.1
261.22147	5.2
265.42068	0.7
273.18527	8.5
291.19543	60.0
292.19907	0.8
317.24768	1.7
335.25797	57.8
336.26151	1.8
347.22192	1.5
365.23224	32.6
527.36841	0.9
545.38141	2.9
557.38074	0.6
607.43829	1.8
625.44604	62.5
626.44537	1.8
649.02502	0.6
650.43567	0.8
704.48431	2.7
772.54388	2.2
790.56189	1.0
822.59711	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	822.5362
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	7.5
57.07089	2.3
65.03925	4.4
67.05508	47.4
69.06729	3.0
69.07073	34.5
69.73800	8.7
71.05007	2.3
79.05499	41.4
81.03413	7.0
81.07059	58.6
83.04971	6.5
83.08627	6.2
85.06538	2.6
86.09694	5.0
91.05488	69.4
93.07053	49.4
95.01325	7.9
95.04961	7.1
95.08617	37.7
97.06535	19.6
97.10168	4.2
103.05457	3.2
105.07040	87.8
107.04968	15.3
107.08590	25.7
108.50577	1.6
109.06520	3.9
109.10178	10.9
111.08087	2.3
115.05446	2.0
117.07027	20.9
119.08588	50.0
121.06512	2.8
121.10139	14.6
123.08077	3.9
123.11699	2.3
125.00092	2.0
125.09633	2.9
128.06158	2.4
129.07011	7.6
131.08571	34.0
133.10139	51.9
135.08069	4.3
135.11670	10.2
136.64850	2.0
137.09648	3.4
141.07019	3.3
143.08574	7.0
145.06462	2.3
145.09081	1.8
145.10130	20.9
147.11697	31.2
149.06140	1.5
149.09607	6.8
149.13263	5.9
155.08493	2.3
157.10115	6.3
159.11728	13.9
161.13263	17.6
163.11220	3.5
165.09074	2.4
169.10020	2.7
171.11700	8.5
173.13260	6.8
175.14812	7.0
177.12749	4.1
179.14311	10.3
184.07349	11.7
185.13237	5.8
187.11179	3.4
187.14868	2.6
197.13423	2.3
199.14789	2.7
205.12177	2.1
213.16376	2.1
219.17346	2.0
229.19536	2.1
231.21236	2.1
237.54761	1.9
239.17796	2.8
241.19550	20.7
257.19037	7.3
259.20612	28.5
275.20084	53.6
277.21716	2.1
293.21060	4.3
315.23209	12.9
325.21216	1.8
333.24231	59.7
349.23773	48.1
351.25485	1.8
412.01682	1.7
440.68872	2.0
513.35583	2.2
607.43591	100.0
608.43671	4.5
625.44446	14.0
822.47003	5.6
853.40747	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	822.4999
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03435	0.3
57.07083	0.4
60.04514	1.8
61.02922	1.4
66.82368	0.2
67.05508	1.8
68.05029	0.8
69.03121	0.3
69.03434	2.7
69.07070	1.8
70.06593	0.8
70.76333	0.6
71.05000	0.7
72.04519	0.7
73.02928	0.5
77.75790	0.3
79.05499	1.3
80.05028	1.1
81.03423	2.9
81.07059	4.0
82.06584	0.4
83.01343	0.4
83.04996	0.4
83.08622	1.3
84.04505	27.6
85.02900	3.6
86.49316	0.3
86.75578	0.2
87.04475	0.3
91.05481	1.1
93.07036	2.6
95.04959	0.4
95.08606	6.8
96.04491	11.3
97.02888	3.6
97.10171	0.8
98.06054	7.8
99.04472	1.3
101.02388	0.2
105.07030	1.8
107.08586	3.8
108.04472	0.7
109.02890	3.8
109.10147	4.0
109.10839	0.4
110.06059	0.2
111.90961	0.2
114.05535	0.8
117.07038	0.2
119.08598	2.8
121.10133	3.8
123.11716	2.2
124.03966	0.4
126.05518	46.5
127.03934	2.9
129.07103	0.3
129.36098	0.3
131.08601	1.0
133.08603	0.5
133.10150	2.5
135.11679	2.6
137.13268	1.4
138.05501	100.0
139.05823	0.4
140.07011	0.4
144.06563	21.4
145.04935	0.5
145.10114	1.4
147.11684	1.4
149.13261	2.6
159.11688	0.4
161.13277	0.9
162.07664	0.3
163.14856	0.6
168.06561	23.6
172.92099	0.2
173.13258	0.6
175.14851	1.1
177.16418	0.7
186.07616	26.0
187.08020	0.3
187.14903	0.5
189.16376	3.0
191.17918	2.1
201.16368	4.1
203.17941	2.2
204.08676	80.2
205.09030	0.8
205.19516	2.6
213.16377	0.6
215.17984	2.3
217.19481	0.6
222.09732	12.9
231.21202	0.4
235.16965	0.3
243.11165	0.2
243.21165	0.4
247.16963	1.6
257.22601	0.3
261.18576	0.7
289.21576	0.3
315.23108	0.3
366.13956	38.3
367.14087	0.3
371.61157	0.4
393.35239	0.8
439.35660	2.4
467.34277	0.2
582.74994	0.3
642.35248	0.4
660.44586	0.6
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
57.03436	19.4
57.07062	1.3
59.05003	7.5
61.02900	3.5
65.03941	4.8
67.05505	100.0
69.03432	10.1
69.07069	44.6
71.01344	2.1
71.04994	12.3
73.02914	1.7
73.27950	1.0
77.03908	1.2
77.77586	0.9
79.05494	58.1
80.77962	1.1
81.03417	92.6
81.07054	68.2
83.04983	13.5
83.08150	2.1
83.08620	29.2
85.02898	6.7
85.06532	6.1
87.04472	4.9
91.05479	64.9
93.07043	52.4
95.04371	1.9
95.04967	34.9
95.07987	1.9
95.08601	35.3
97.02886	8.7
97.06532	16.2
97.10163	12.4
99.04458	4.3
99.08082	2.7
103.04002	1.0
103.05447	3.6
105.07030	39.2
105.79234	1.1
107.04953	15.3
107.08591	29.5
109.02874	2.9
109.06514	7.6
109.10157	51.7
110.51530	1.0
111.04434	5.2
111.08083	11.0
113.05991	1.3
113.09585	1.1
115.05444	2.5
117.07012	16.9
119.04957	1.9
119.08574	34.7
121.06537	8.5
121.10135	23.9
123.04447	2.5
123.08081	8.3
123.11718	3.1
125.09634	12.5
127.03895	2.8
128.06180	2.3
129.05476	3.0
129.07002	15.6
130.07838	1.2
131.04930	1.4
131.08560	24.7
133.06516	5.8
133.10130	22.1
135.08076	6.0
135.11707	12.4
137.05957	1.3
137.09610	15.1
139.11191	1.9
141.07010	2.1
142.07764	3.5
143.08582	7.8
145.06482	4.1
145.10121	16.4
147.08037	7.4
147.11691	14.1
149.09610	26.8
149.13246	3.6
151.07576	1.2
151.11186	4.2
153.09116	1.9
153.12778	1.1
155.08559	4.4
155.10672	6.0
157.08940	1.7
157.10141	15.6
159.08058	1.9
159.11687	10.8
161.09631	3.8
161.13252	3.5
163.11185	12.3
165.12793	2.5
167.10651	1.5
169.10120	3.4
169.12300	1.1
171.08069	1.4
171.10219	2.5
171.11691	3.7
173.04500	1.6
173.09619	2.5
173.11734	14.6
173.13257	2.9
175.11177	11.7
177.12791	3.5
179.10776	1.4
179.14261	2.0
181.10127	1.2
181.12198	2.6
183.11697	3.0
185.09656	1.1
185.13232	3.7
187.11235	2.5
187.13240	1.8
189.11263	5.1
189.12738	1.7
191.10645	3.8
191.14201	1.4
193.10414	1.6
193.12242	33.2
195.13805	4.1
197.13271	1.7
199.11279	1.7
199.13214	3.5
199.14890	1.5
201.12643	1.0
203.14349	1.9
205.12125	1.7
207.11647	1.0
207.13887	1.1
209.04527	1.0
209.11589	1.8
211.11511	1.2
211.13177	5.3
213.12605	1.2
219.13658	1.2
223.13287	4.2
225.14769	5.8
227.12698	11.3
229.14351	52.7
239.18010	1.4
241.14473	1.4
243.15918	3.4
249.14801	3.6
251.56506	1.0
253.14238	2.4
255.15855	4.8
257.18976	3.6
259.15298	1.5
261.14905	1.0
267.15903	84.7
268.16287	1.8
269.17487	3.5
273.15073	1.7
273.18546	3.2
275.20084	15.8
283.15384	3.6
285.16977	1.9
291.19589	6.7
293.21286	1.5
297.17294	1.3
299.18332	1.2
301.16724	1.0
309.17200	1.1
311.19922	1.5
313.21518	1.2
315.17975	2.1
329.21143	4.7
331.22531	1.7
347.22229	3.7
349.23737	19.8
355.22430	1.8
365.23230	4.1
393.26413	1.3
403.24734	3.2
409.25809	3.9
421.25854	34.1
423.27377	6.5
429.26395	2.3
435.27588	6.6
445.29340	3.9
447.27435	25.7
448.27786	1.7
451.26971	1.2
453.28439	1.7
461.28738	3.2
467.30942	2.7
477.28827	1.4
503.33911	2.4
509.30081	1.2
523.34528	1.9
541.35260	37.0
557.34851	2.7
559.36322	12.0
567.16956	1.2
573.38049	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	822.4844
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	25.9
57.07056	2.0
59.04993	2.0
61.02919	4.7
65.03930	4.5
67.05508	69.8
69.03437	14.0
69.07071	49.3
71.01370	2.2
71.04353	1.1
71.04996	24.9
72.00182	1.3
72.04514	2.9
73.02905	4.2
77.03923	2.3
79.05498	67.4
81.03423	100.0
81.07060	70.5
83.04983	16.5
83.08144	2.6
83.08618	29.4
85.02901	11.1
85.06553	7.7
86.95461	1.3
91.03964	1.8
91.05486	65.9
93.07052	57.6
93.07642	2.7
95.04366	2.6
95.04972	40.4
95.08609	32.4
97.02892	12.2
97.06537	75.3
97.10175	12.2
99.04440	3.1
99.08115	6.5
103.05461	2.8
105.03404	1.4
105.04492	2.0
105.07036	45.7
107.04960	20.3
107.08602	34.4
109.02877	5.2
109.06525	21.0
109.10156	20.4
111.04441	5.1
111.08081	14.6
113.06097	2.5
113.09644	2.1
115.05434	3.8
115.07581	27.2
116.06219	1.4
117.07025	22.0
119.04971	2.0
119.08585	35.3
121.02862	1.3
121.06511	13.5
121.10149	21.8
123.04442	2.9
123.08079	7.9
123.11725	4.2
125.06017	2.1
125.09658	11.9
127.03928	4.2
127.07569	2.9
128.06223	5.2
129.05470	1.4
129.07010	21.7
131.04922	2.3
131.08580	31.9
132.56288	1.5
133.06525	10.3
133.09126	1.6
133.10136	29.4
135.08055	12.3
135.11687	10.5
137.05988	1.9
137.09604	6.1
139.03847	1.1
139.07533	1.9
141.07004	3.6
142.07785	4.5
143.08571	13.5
145.06485	5.5
145.10121	18.6
147.08040	9.2
147.11691	13.5
149.09630	13.5
149.13301	6.1
151.07544	2.4
151.11180	6.2
153.09157	2.1
155.08527	6.4
157.06490	2.5
157.10147	19.7
159.08070	9.3
159.11664	12.4
161.09644	9.3
161.13260	2.4
163.07503	2.0
163.11174	8.2
165.12746	2.4
167.08598	2.5
169.10136	4.6
169.12280	1.4
171.08115	2.4
171.10327	2.0
171.11661	8.1
173.04498	2.6
173.09622	4.3
173.11806	1.8
173.13264	4.2
175.11171	11.2
175.14781	1.4
177.09123	1.4
177.12756	4.2
179.08534	1.7
181.10121	2.5
181.12418	1.8
183.08142	1.2
183.11711	5.2
185.09622	3.6
185.13275	5.0
187.11157	2.1
189.11230	6.1
189.12718	2.2
191.10657	2.5
193.10387	1.9
193.12254	19.5
195.11676	3.8
195.13710	2.9
197.13300	2.0
197.15298	1.7
199.11253	2.2
199.14839	3.9
201.07481	1.6
201.12732	3.1
203.14372	2.7
205.10313	1.5
205.12177	2.8
209.13341	1.7
211.11302	2.5
211.13306	4.8
213.12723	2.6
215.12659	2.2
217.15874	7.9
219.13710	3.2
221.15433	2.7
223.10991	1.6
225.12827	1.7
225.14839	1.8
227.12717	7.6
229.14340	4.4
233.15321	4.4
235.15007	2.0
243.17667	2.1
245.19066	2.7
249.14760	2.8
251.16406	1.7
253.14326	5.6
255.15652	2.7
255.17886	1.4
257.19073	2.0
263.16629	1.2
263.19995	1.6
267.15924	65.1
269.17480	18.3
271.17050	2.3
273.18536	21.7
275.20102	2.6
279.15973	1.7
289.17984	5.5
291.19583	14.8
296.31204	1.4
297.17169	2.0
301.14154	1.5
307.19055	3.0
309.17184	1.6
311.19962	1.3
313.21738	2.5
315.19394	1.3
317.15955	3.0
323.18698	1.5
329.21124	1.8
341.24829	1.7
347.22086	9.6
349.23901	1.3
351.23404	2.1
365.23383	10.9
369.24231	4.3
383.24234	3.3
387.25244	2.1
417.26859	1.6
421.25879	4.0
425.26740	2.1
429.27103	1.7
435.27335	3.7
443.27859	9.7
447.28357	9.8
461.22519	2.5
461.28986	45.2
462.29648	1.2
465.29739	4.5
469.29404	1.6
471.27380	6.5
475.30527	1.9
479.30014	2.2
482.36951	1.5
483.30878	5.2
485.29132	3.4
487.30368	5.6
489.28891	6.1
493.31723	13.0
499.30630	6.2
501.32242	1.9
511.33435	2.1
517.31464	3.3
521.32446	1.8
529.35242	3.0
539.33765	20.6
555.32385	1.4
557.34741	43.1
575.35858	25.8
581.49481	1.4
589.37012	3.9
607.36176	1.7
660.39056	2.1
683.37433	1.9
719.39459	3.3
822.43536	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	820.5989
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03430	2.2
57.07077	60.2
58.11506	1.3
59.05007	14.4
67.05498	10.5
69.03416	2.1
69.07062	4.5
71.04968	1.4
71.08631	39.6
71.53127	1.8
71.53490	1.5
73.02924	2.0
73.06565	6.3
79.05479	6.7
81.03418	2.3
81.07052	6.8
83.08646	1.6
85.06509	1.8
85.10184	36.0
86.09686	5.6
87.04469	20.5
89.06033	100.0
91.05466	6.5
93.07032	6.0
95.04974	1.7
95.08615	6.3
97.02883	2.6
97.06523	1.4
97.10185	2.2
99.11744	4.8
103.07594	6.5
105.07045	7.1
107.07046	1.6
107.08606	3.3
109.10120	4.9
110.58022	1.2
113.06024	1.4
113.13285	1.9
115.64603	1.3
117.07018	3.1
117.09116	4.5
119.08570	6.2
125.00007	4.2
125.09605	2.4
130.08652	4.7
131.07024	6.2
131.08557	2.9
133.08607	72.0
133.10152	4.4
135.11664	1.6
143.08650	1.9
145.10086	2.4
147.11690	2.9
155.08495	1.4
155.17924	2.2
159.11635	2.5
161.11757	1.5
171.11681	1.4
173.11792	1.5
175.09657	7.5
177.11203	30.9
177.12691	2.1
184.07350	25.4
213.22188	3.8
219.12337	2.0
221.13812	6.4
223.15273	1.4
227.12881	2.3
239.14922	1.3
241.19405	2.7
257.24704	6.5
259.20551	3.1
265.16455	1.3
283.17612	3.2
291.19565	8.9
292.20340	1.3
309.18781	2.4
333.24200	3.1
353.21417	2.1
365.23254	1.8
379.78122	1.3
397.24451	1.8
426.86252	1.6
512.53052	1.4
591.35547	5.5
623.42841	3.2
820.60663	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	820.5989
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03422	3.4
57.07078	91.1
59.04720	1.7
59.05001	28.8
60.08158	2.3
67.05494	4.5
69.03400	1.5
69.07063	3.7
71.08633	87.4
71.53133	2.6
73.02924	1.8
73.06542	2.3
79.05477	2.2
81.07043	4.7
83.08612	2.1
85.02895	2.3
85.09660	2.9
85.10185	80.7
86.09708	10.1
87.04475	19.3
89.06033	100.0
91.05445	2.5
93.07059	3.5
95.08627	1.7
99.11736	8.2
101.09708	1.5
102.45053	1.6
103.07574	1.5
105.07018	1.8
107.08611	1.7
109.10153	2.5
117.09126	8.4
124.99966	7.0
130.08569	2.5
131.07034	6.7
131.08554	1.6
133.08607	76.0
141.16397	10.7
175.09604	7.1
177.09683	2.2
177.11218	37.1
184.07349	30.5
199.20566	25.8
205.68620	1.8
219.12239	2.0
221.13814	7.6
240.23138	2.5
257.24741	11.5
265.16656	1.8
283.17706	2.0
327.19968	1.8
345.78226	1.6
459.27768	2.1
547.33484	11.2
563.22705	2.3
587.36713	2.4
820.46051	10.2
820.60724	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	820.5323
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07073	0.3
58.06583	1.2
59.05270	0.2
59.07364	0.8
60.08165	6.0
67.05506	0.5
69.07078	0.2
70.84881	0.1
70.91064	0.4
71.07376	3.3
71.08644	0.2
81.07073	0.3
85.10173	0.1
85.59566	0.1
86.09706	30.0
93.07056	0.1
95.08633	0.3
98.98458	3.0
98.99053	0.3
104.10751	2.3
107.08604	0.2
109.10150	0.2
119.08521	0.2
125.00003	20.2
144.44791	0.1
184.07338	100.0
185.07631	0.5
219.17447	0.5
222.08916	0.8
315.23163	0.1
335.25827	0.3
341.12549	0.2
373.11191	0.2
395.07138	0.2
478.32721	0.2
550.34869	0.4
609.44611	0.6
650.43866	6.2
678.46948	0.3
820.53522	4.2
821.49548	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	820.4685
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	14.3
57.07063	1.3
57.40903	0.7
59.05001	15.9
59.12876	0.7
61.02907	2.3
63.41040	0.6
65.03931	3.2
67.05506	82.4
68.62381	0.8
69.03426	11.1
69.07069	27.0
71.01365	0.8
71.05003	7.5
71.08609	1.3
71.52625	0.7
71.53038	1.1
73.02885	1.4
79.05496	29.7
81.03420	18.6
81.07056	38.9
83.01325	0.7
83.04982	8.3
83.08147	1.3
83.08620	17.0
85.02921	5.1
85.06538	3.7
86.09686	1.4
87.04467	13.6
91.05482	28.1
93.07044	24.5
94.07353	0.9
95.04973	10.6
95.08610	17.4
97.02894	9.9
97.06534	6.1
97.10173	19.2
98.97636	0.8
98.98490	0.6
99.04455	9.1
99.08082	1.3
105.03381	0.9
105.04523	0.9
105.07033	18.3
106.99417	0.8
107.04950	10.3
107.07870	1.1
107.08591	18.9
109.02877	1.7
109.06539	5.3
109.10157	56.2
111.04459	4.2
111.08093	5.8
115.03904	1.2
115.05423	1.5
117.07014	8.3
119.04926	1.8
119.08575	17.7
121.06513	5.1
121.10154	6.6
123.04393	1.4
123.08092	4.2
123.11723	1.9
125.05984	1.0
125.09631	13.6
127.03916	1.2
128.06229	1.8
129.05496	1.5
129.07039	5.7
130.07764	1.2
131.08565	9.6
133.06487	3.4
133.10143	10.3
134.07219	1.0
135.08049	5.0
135.11658	3.7
137.09647	3.8
143.08539	4.2
145.10132	8.5
147.08035	6.1
147.11719	4.3
149.09613	3.4
149.13240	2.1
151.11139	3.8
153.09036	1.2
153.12691	1.7
155.08493	1.0
155.10645	3.4
157.10149	3.5
159.08046	1.7
159.11684	2.9
161.09610	3.5
161.13274	1.4
162.10338	0.9
163.11183	6.0
165.09166	1.9
169.10138	1.2
171.08076	0.9
171.10164	1.6
171.11685	2.2
173.09590	1.8
173.11761	13.7
173.13191	1.5
175.11171	3.4
177.12733	1.6
179.10652	2.0
181.12262	1.2
184.07289	2.2
185.13275	1.1
187.11133	0.9
189.11217	3.6
189.12715	1.0
191.10652	2.2
193.12267	4.7
195.13733	1.8
199.13223	4.6
201.13049	0.9
205.12318	1.8
209.11652	1.8
211.13348	2.1
213.12761	1.0
223.13289	19.4
227.12787	10.0
227.17905	1.4
229.14346	50.6
241.14391	3.1
245.19029	1.8
249.14877	3.3
253.14360	4.6
265.14349	1.2
267.15955	8.5
273.18494	16.1
275.20111	1.3
281.17563	0.8
283.15363	4.2
291.19537	100.0
292.20062	1.2
293.21024	1.2
315.18008	4.1
331.15897	2.8
347.22098	3.0
349.16882	12.6
350.17120	6.3
361.62186	0.8
365.23227	34.1
372.18475	1.8
373.18979	1.2
393.22665	1.8
399.23907	2.0
415.22559	0.9
421.26053	1.3
423.27237	1.0
425.25385	1.3
435.27536	1.0
437.25760	2.0
439.26733	1.8
463.27078	1.3
475.26572	1.3
489.32111	1.5
501.31769	2.0
507.33383	3.5
519.33191	65.2
520.33765	1.9
557.34717	1.0
559.36365	1.2
561.37750	2.2
573.34082	1.7
591.35425	1.0
605.36511	1.4
623.37384	0.9
628.83136	1.0
628.96240	0.9
820.52081	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	818.5621
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03190	1.2
57.03440	16.1
57.07081	38.1
59.04981	1.0
60.08150	1.3
60.40583	0.8
61.02917	3.5
65.03930	2.8
67.05509	48.3
69.03435	17.2
69.07072	51.3
71.01345	1.5
71.05001	18.2
71.07360	2.0
71.08637	31.2
71.17210	1.9
73.02926	5.5
79.05498	42.9
81.03425	17.4
81.07062	54.1
83.04990	10.0
83.08144	1.3
83.08622	18.0
85.02910	9.3
85.06552	4.6
85.06953	0.8
85.09671	0.9
85.10187	17.2
86.09707	9.0
87.04498	1.1
89.06037	2.8
91.04911	1.4
91.05486	32.4
93.07047	36.6
95.04973	12.0
95.08611	40.0
97.02895	12.0
97.06536	97.1
97.10167	8.9
99.04451	4.5
99.08096	4.6
99.11684	1.0
103.03902	1.2
103.05444	1.4
103.07574	0.9
105.04501	1.2
105.07037	22.7
107.04961	10.2
107.08597	19.3
109.02874	4.9
109.06524	15.8
109.09463	1.4
109.10165	17.5
111.04395	1.8
111.08099	7.5
111.11713	1.8
113.06013	2.2
115.05454	1.7
115.07582	27.5
117.07024	14.6
117.09067	0.8
119.04946	1.4
119.08591	12.8
121.06519	6.7
121.10143	10.0
123.04462	0.8
123.08061	4.0
123.11720	4.9
125.00015	4.6
125.09592	1.6
127.03925	6.9
127.07557	1.8
128.06177	1.9
129.05495	2.0
129.06985	6.3
130.07828	0.9
131.08572	18.6
133.06483	3.5
133.10136	13.0
135.08058	8.3
135.11676	7.7
137.09608	2.4
137.13263	1.3
139.07564	1.9
139.11113	1.1
141.06982	2.5
142.07756	1.0
143.08563	5.7
145.04976	1.5
145.06487	2.3
145.10126	9.9
147.08057	7.5
147.11739	4.0
149.05945	1.6
149.09604	4.7
149.13251	7.9
151.11154	2.6
153.09131	1.2
155.08562	2.0
155.22751	0.9
157.10115	5.0
159.08025	1.9
159.11702	8.2
161.09575	6.9
161.13278	2.7
163.07550	1.2
163.11159	2.7
167.10690	1.2
169.10139	2.6
171.08119	1.0
171.11676	4.9
173.04466	10.0
173.09604	2.4
173.13283	2.5
175.11195	3.6
175.14835	0.9
177.09196	1.7
177.12779	6.9
179.10713	1.3
181.10170	1.3
183.11691	2.0
184.07346	23.5
185.07710	1.4
185.09579	1.2
185.13284	2.6
187.11147	1.8
187.14799	1.5
189.12801	1.9
189.16382	1.0
195.11787	1.6
195.13802	4.8
199.14816	2.4
201.12724	1.7
203.14279	1.8
205.12228	1.2
217.15901	11.7
219.13907	1.4
221.15247	2.1
223.13199	1.4
227.12817	2.1
227.17938	3.9
233.15292	3.8
235.16898	1.1
239.23665	4.0
241.10747	1.5
245.19025	5.1
249.14700	0.9
251.16344	1.8
253.14322	6.9
255.15529	1.2
255.17592	2.8
257.24792	1.4
259.11887	1.1
262.79364	0.8
263.20087	2.4
269.17484	23.5
273.18515	34.6
285.14481	0.9
289.18051	1.1
291.19556	21.6
293.17606	0.9
297.16876	1.7
303.15936	1.2
303.19220	1.2
307.18964	6.7
309.20602	1.8
313.27380	100.0
314.27966	1.7
321.16861	0.9
329.21121	1.5
341.26871	2.3
347.18329	1.3
347.22232	17.5
365.19080	1.3
365.23285	15.9
369.29889	2.5
383.24249	2.5
447.67551	0.9
493.38947	4.2
507.40463	41.6
508.40677	2.4
509.38171	1.5
529.41766	1.4
533.41949	1.7
535.39795	3.8
545.42010	4.1
552.63538	1.1
561.42102	1.0
563.42621	1.5
565.45911	1.2
575.93982	0.9
585.45154	9.6
603.37354	1.5
603.46271	24.7
621.47382	8.6
635.45929	4.0
759.45081	1.1
818.51514	1.4
823.30255	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	816.575
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03423	0.1
57.07071	0.4
58.06629	0.4
59.07399	0.1
60.08164	5.7
67.05495	0.2
67.32059	0.1
69.07070	0.2
69.15659	0.3
69.16064	0.7
71.07374	3.3
71.08639	0.3
73.17891	0.1
73.76476	0.1
79.05494	0.4
81.07049	0.4
83.08621	0.2
85.10152	0.1
86.09705	30.8
87.10033	0.3
91.05486	0.3
93.07039	0.4
95.04963	0.1
95.08608	0.4
97.06547	0.3
97.10183	0.1
98.21452	0.2
98.98465	3.1
100.01278	0.1
104.10748	2.6
105.06995	0.2
107.08600	0.3
109.06533	0.1
109.10164	0.2
114.03758	0.1
116.90739	0.1
125.00005	20.0
133.10147	0.3
143.01089	0.1
150.52928	0.1
151.11176	0.2
159.24147	0.1
166.02650	0.1
175.13033	0.1
184.07338	100.0
185.07707	1.3
186.07785	0.2
193.91534	0.1
253.14331	0.2
289.18036	0.3
307.18939	0.1
313.27350	0.4
337.53836	0.1
362.12955	0.1
381.22687	0.2
509.37866	0.1
585.69073	0.1
619.45453	0.2
640.45276	0.1
716.37640	0.1
716.48694	1.1
789.45776	0.1
798.56372	1.3
816.57532	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	816.5454
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	3.3
57.06792	0.5
57.07070	7.8
58.06608	0.5
60.07883	0.5
60.08162	6.3
61.02913	1.3
65.03920	1.0
67.05507	13.6
69.03423	1.1
69.07073	4.5
71.04971	1.2
71.07370	3.8
71.08626	5.2
77.06197	0.4
79.05493	6.2
81.03429	2.0
81.06592	0.7
81.07055	11.6
83.04990	2.2
83.08613	3.6
85.02903	1.0
85.06544	1.3
85.10172	2.9
86.09706	32.4
91.05483	9.4
93.07047	7.8
95.04971	5.0
95.08607	6.8
97.02895	0.9
97.06533	15.2
97.10151	1.5
98.98483	3.6
99.04449	0.5
99.08138	0.4
104.10754	3.4
104.15734	0.4
105.04517	0.4
105.07032	8.0
107.04949	2.3
107.08591	6.5
109.02805	0.6
109.06539	3.3
109.10155	8.6
111.04410	0.5
111.08079	4.3
113.06022	2.5
115.05454	0.8
115.07595	0.6
117.07001	2.5
118.50517	0.5
119.04965	0.6
119.08575	2.3
121.06503	1.3
121.10116	1.4
123.04429	0.9
123.08051	1.1
123.11700	1.9
125.00010	21.0
127.07540	0.6
129.06929	0.7
131.04893	0.6
131.08568	2.8
133.06499	1.9
133.10139	10.3
135.08020	2.1
135.11653	1.2
136.75552	0.4
137.05951	1.2
137.09608	0.5
139.07574	1.0
143.08569	1.4
145.10101	1.6
147.08051	0.5
147.11705	0.8
149.09644	2.0
151.07559	0.5
151.11172	4.3
157.10129	0.7
159.08023	1.3
159.11673	1.0
161.09612	1.8
163.07396	0.6
163.11201	0.5
165.09114	0.9
169.12291	0.6
171.11662	0.7
173.09593	2.3
173.13113	0.5
175.11113	0.5
177.09134	1.3
184.07338	100.0
185.07671	0.8
186.07797	0.5
187.11215	0.6
187.14816	0.4
189.12796	0.5
191.10649	0.5
193.12231	1.1
195.10162	0.7
197.71129	0.4
203.10649	0.6
205.12267	0.5
205.88954	0.4
215.12636	0.6
215.14449	0.9
216.03059	0.4
217.12326	0.6
219.13675	0.6
221.11731	1.6
227.12817	1.0
233.15369	0.9
239.12698	0.7
239.23686	0.9
243.17477	0.8
251.12836	3.7
251.16748	0.4
253.14282	10.6
257.24792	0.5
261.18585	2.1
263.03339	0.4
271.16876	2.7
279.19705	0.5
285.16989	0.8
289.17960	9.7
307.19043	7.1
313.27353	16.0
325.20056	1.3
345.20544	0.7
363.21573	3.1
381.22760	6.5
404.34677	0.4
453.80902	0.4
507.36633	2.0
509.38501	2.0
523.40277	0.5
561.41754	0.7
601.44550	3.6
611.64166	0.5
619.35486	0.7
619.45697	12.3
620.45715	0.6
798.56616	2.8
816.58173	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	814.559
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06622	0.4
59.07393	0.1
60.08163	6.2
67.05505	0.3
70.06573	0.2
71.07375	3.4
72.33567	0.1
79.05502	0.2
80.97411	0.1
81.07047	0.4
85.02840	0.1
86.09704	29.8
87.10059	0.1
91.05466	0.1
93.07034	0.1
95.08615	0.3
98.98461	3.4
104.10728	2.2
122.85981	0.1
125.00003	20.0
129.69096	0.1
139.03929	0.2
152.42903	0.1
163.03932	0.2
166.02654	0.2
184.07335	100.0
185.07654	0.4
208.58719	0.1
212.48637	0.1
518.32507	0.2
710.37646	0.2
765.89996	0.1
778.53754	10.7
779.53485	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	814.5594
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06362	0.2
58.06633	0.3
59.07387	0.1
60.08163	6.2
67.05492	0.3
69.07069	0.1
69.25788	0.9
71.07373	3.5
75.23420	0.1
79.05480	0.1
81.07061	0.3
86.09705	30.2
87.10004	0.1
91.05505	0.2
93.07030	0.1
95.04978	0.2
95.08615	0.2
98.98464	3.0
100.24850	0.1
102.25481	0.1
104.10740	3.0
105.07034	0.1
125.00003	20.3
143.01051	0.1
166.02658	0.2
166.06319	0.1
179.57600	0.1
184.07338	100.0
185.07684	0.5
219.75211	0.1
674.44183	0.1
714.46893	1.2
796.41608	0.1
796.54822	1.3
814.55963	3.0
815.55939	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	812.543
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07068	0.2
58.06343	0.3
58.06617	0.5
60.08165	6.0
61.71705	0.2
66.77414	0.2
67.05504	0.6
69.07071	0.2
71.07375	3.8
71.08636	0.2
71.29350	0.2
79.05521	0.2
80.41907	0.2
81.07051	0.4
86.09707	32.4
91.05463	0.2
93.07038	0.2
95.08604	0.5
98.98470	3.7
104.10758	2.6
105.07053	0.3
114.87345	0.2
125.00013	18.8
143.00980	0.2
146.98198	0.8
168.64417	0.2
184.07344	100.0
185.07712	0.5
196.86476	0.2
214.84386	0.2
392.47644	0.2
500.70230	0.2
553.29016	0.2
629.47290	1.8
712.45239	0.2
736.76648	0.2
753.46631	3.2
794.54156	0.3
812.54315	9.4
813.53815	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	812.5431
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07059	0.1
58.06361	0.3
58.06634	0.5
60.08166	6.0
66.27180	0.1
67.05515	0.2
69.07068	0.2
69.15379	1.5
71.02080	0.1
71.07375	3.7
71.08643	0.2
81.07050	0.3
86.09705	33.3
87.10040	0.2
88.07475	0.1
93.07041	0.2
95.08617	0.3
98.98468	3.4
104.10751	2.8
106.61661	0.1
109.02024	0.1
125.00005	22.7
159.56752	0.2
166.02623	0.2
184.07339	100.0
185.07693	0.6
215.12823	0.5
282.29828	0.2
313.27472	0.4
396.29553	0.1
453.35605	0.3
794.53265	11.5
795.53387	0.3
812.52350	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	812.5434
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07045	0.1
58.06305	0.2
58.06622	0.5
59.07400	0.2
60.08168	6.2
67.05502	0.4
69.07075	0.2
71.07376	4.1
71.08636	0.1
79.05479	0.2
80.97463	0.1
81.07051	0.6
83.08653	0.1
83.97390	0.1
86.09708	33.1
87.10059	0.3
91.05473	0.1
93.07053	0.2
95.08612	0.3
97.10176	0.2
98.98467	3.6
104.10751	2.6
109.10174	0.1
119.89775	0.1
125.00009	21.5
125.09655	0.1
125.23497	0.1
133.10104	0.1
136.41324	0.1
139.51837	0.1
146.98201	0.3
148.53841	0.1
154.35513	0.1
162.70349	0.1
166.02689	0.1
184.07346	100.0
185.07722	0.5
236.13477	0.1
265.56702	0.1
293.21222	0.1
305.20929	0.2
547.95612	0.1
629.47479	2.3
652.41211	0.1
657.96051	0.1
753.46613	3.0
754.47034	0.1
794.53632	0.2
812.54260	7.7
813.54742	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	811.4446
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03431	2.1
59.04986	1.0
60.08165	0.6
61.02930	4.9
67.05501	4.2
69.03435	3.1
69.07072	3.1
70.76495	0.9
71.05004	2.3
71.07389	0.5
73.02916	3.6
79.05500	4.4
81.03417	4.3
81.07053	5.0
83.04988	1.3
83.08630	1.4
85.02910	4.7
86.09713	3.9
87.04475	0.5
87.10034	0.4
91.03968	2.5
91.05490	4.6
93.07043	3.2
95.04980	2.3
95.08591	2.7
97.02891	5.1
97.06545	1.0
97.10194	0.8
98.98486	0.4
99.04475	0.6
101.02392	2.1
103.03945	0.6
105.07014	3.3
107.04980	0.7
107.08595	1.7
109.02899	0.5
109.06552	0.6
109.10173	1.2
111.08095	0.7
117.07031	1.1
119.08600	2.5
121.06512	0.6
121.10141	1.9
123.08089	0.4
124.99999	2.5
125.09637	0.5
127.03944	1.4
129.07027	0.8
131.08571	2.0
133.10161	1.5
135.11708	0.9
145.05060	0.4
145.10155	0.7
147.08072	0.4
147.11725	1.6
149.09631	1.8
157.10120	1.0
163.11209	0.3
175.11169	1.0
184.07336	15.1
185.04297	0.7
185.07765	2.1
193.12329	1.6
228.62395	0.4
243.08400	4.8
243.10419	0.4
255.75127	0.4
267.16049	1.2
275.20258	0.4
283.15170	4.3
301.08997	0.4
307.15366	0.4
333.20355	2.1
339.17746	0.8
349.19699	0.4
357.93848	0.4
389.23184	0.5
413.17917	0.5
439.19141	1.7
453.21091	1.2
469.20563	1.2
472.00623	0.4
501.23111	15.0
551.28326	8.8
573.25873	0.7
588.86383	0.4
649.38983	0.5
713.36340	0.5
721.37610	2.2
761.43671	0.5
811.44458	100.0
812.44843	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	811.4451
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	3.6
59.05023	1.4
61.02931	10.9
64.97790	0.8
67.05507	14.9
68.32370	0.8
68.88854	0.9
69.03426	7.6
69.07069	4.1
69.25030	7.4
70.71478	0.9
71.05009	3.4
71.07368	1.1
73.02925	7.4
79.05500	10.0
81.03421	8.6
81.07064	8.5
83.04990	2.0
83.08649	3.0
85.02901	12.1
86.09717	8.4
86.96688	0.9
91.03952	6.4
91.05489	8.3
93.07051	8.1
95.04985	2.6
95.08624	4.8
97.02904	9.5
97.06514	1.5
98.98517	0.9
99.04472	2.2
101.02397	3.8
102.01130	0.9
105.07051	7.5
107.04996	1.6
107.08591	4.4
109.02954	1.0
109.10159	8.2
111.08087	1.2
115.53710	0.9
117.07053	1.4
119.08598	6.2
121.06547	1.0
121.10158	4.4
123.11794	1.1
125.00022	7.5
127.03942	4.6
129.05579	0.9
129.06992	2.2
131.08595	3.6
133.10138	3.2
147.08138	1.7
147.11713	4.7
149.09650	2.9
149.39296	0.9
157.10182	2.2
163.03955	2.2
171.11719	1.3
173.08293	1.0
173.11732	2.0
175.11230	1.7
183.69789	1.0
184.07349	31.9
185.04333	1.3
185.07666	5.9
193.12347	2.8
195.10132	1.0
201.03816	1.3
211.13309	1.7
229.14479	1.4
243.08435	5.8
247.13120	1.4
251.12726	1.7
267.16037	2.6
283.15240	6.4
301.09009	3.1
339.17786	1.5
371.17096	1.5
373.11487	1.7
385.18491	1.9
413.17886	12.2
429.17340	1.0
443.19220	1.3
465.21075	15.5
469.20523	3.4
501.23129	32.0
501.30457	1.8
502.23453	1.0
529.22729	2.0
533.26917	1.1
535.28809	4.4
545.31268	1.2
551.28180	2.2
563.32031	2.0
573.25989	1.4
611.29797	1.3
641.31427	12.6
646.52777	1.1
652.36005	1.1
653.32147	1.1
693.34753	2.1
695.36761	2.7
707.39734	59.5
708.40668	1.8
713.36780	2.9
725.37256	100.0
726.38196	3.7
752.68384	1.1
765.41687	2.2
793.43256	15.4
811.44104	67.6
812.43481	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	810.528
Annotation	Unknow
Peak:m/z	Relative Intensity
57.24903	0.2
58.06596	0.4
60.08167	6.9
67.05499	0.3
71.07379	3.9
71.52651	0.3
72.08105	0.3
79.05493	0.3
81.07040	0.2
83.08651	0.3
86.09711	34.5
87.10030	0.4
93.07065	0.3
98.98467	3.6
104.10754	3.6
107.08562	0.4
125.00010	23.0
127.00475	0.3
184.07349	100.0
185.07724	2.8
186.07832	0.9
217.58459	0.2
240.06058	0.2
267.12131	0.2
267.15009	0.2
304.44412	0.3
627.46387	0.4
792.53473	0.3
810.52704	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	810.5256
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07079	3.7
58.94738	0.9
60.08157	4.6
67.05511	6.4
69.07062	4.0
71.07382	14.6
71.08634	4.2
71.35242	0.9
79.05505	3.9
81.07066	7.6
83.08616	2.8
85.10221	1.5
86.09709	73.8
91.05502	3.3
93.07039	4.6
95.04967	1.5
95.08602	5.8
97.06493	1.3
98.20715	2.1
98.98492	2.7
104.10763	1.1
105.07064	2.5
107.08598	2.5
109.06548	1.0
109.10163	1.5
119.87816	1.0
123.11769	1.1
124.99999	14.6
131.08568	0.9
133.10153	1.2
146.98192	15.0
149.66167	1.0
160.03308	1.0
160.37018	1.0
184.07343	76.0
194.40262	0.9
229.55872	0.9
252.09721	1.2
273.18524	1.3
303.19183	1.6
333.20474	1.6
495.20700	1.6
627.45972	61.9
628.46417	1.2
630.47772	1.6
751.45190	100.0
752.45349	3.7
792.52869	2.2
810.52515	42.0
811.53735	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	809.4293
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	2.3
59.04993	1.3
61.02926	4.9
65.03931	0.6
67.05506	6.0
69.03432	3.6
69.07065	1.9
69.96381	1.9
71.04992	2.1
73.02921	4.2
73.19917	0.3
77.85523	0.3
79.05493	4.3
80.05807	0.4
81.03421	5.8
81.07054	5.0
83.04985	1.5
83.08617	1.7
85.02908	5.3
85.06530	0.5
86.09708	0.8
87.04488	0.4
91.03963	3.2
91.05474	5.2
93.07035	3.3
95.04960	2.7
95.08602	3.5
97.02897	4.1
97.06568	1.1
99.04459	0.8
99.08050	0.4
101.02363	1.9
103.03931	0.8
105.07034	4.6
107.04968	1.2
107.08580	2.6
109.02874	0.9
109.06528	1.1
109.10155	2.2
111.08110	1.3
117.07027	0.7
119.08569	2.2
121.06522	0.5
121.10122	2.1
123.08047	0.5
123.11706	0.8
125.00015	0.4
127.03919	1.6
129.07031	1.0
131.08591	2.2
133.06563	0.4
133.10139	3.3
135.11702	0.7
145.10130	1.0
147.08025	0.5
147.11673	1.9
149.09618	2.7
151.11154	0.7
155.08598	0.4
157.10141	1.5
163.11227	0.4
165.12755	0.5
175.11240	1.3
184.07397	1.4
185.04279	1.0
193.12242	2.8
197.15424	0.4
203.05354	0.6
211.13455	0.5
225.14940	0.6
229.14429	0.4
243.08434	2.9
249.11064	0.9
253.14076	0.5
267.08948	0.5
267.15833	0.9
283.15125	3.9
301.09033	0.8
313.17831	1.0
331.18829	2.6
339.18042	0.9
357.15491	0.5
387.21674	0.4
413.17950	1.2
419.56412	0.4
433.48923	0.4
441.21085	0.5
451.19513	1.9
467.19116	1.1
501.23093	15.7
501.30402	0.8
531.25690	2.7
549.26715	3.3
555.24072	0.4
573.25403	1.6
587.25989	0.4
639.29852	7.2
667.32483	0.6
711.36292	2.3
740.35638	0.6
777.09631	0.4
791.41809	8.3
792.41376	0.4
809.42859	100.0
810.43311	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	809.3932
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96550	1.1
57.03426	3.0
60.08148	0.9
61.02929	5.6
66.24833	0.8
67.05511	13.0
69.03430	3.4
69.07058	2.7
71.04985	1.8
71.52448	1.1
71.65590	0.8
73.02934	4.8
79.05492	5.3
81.03424	4.7
81.07068	6.4
83.04985	1.5
83.08620	2.7
85.02914	6.4
86.09713	4.3
91.03976	4.4
91.05492	5.7
93.07050	5.5
95.04976	2.5
95.08591	4.9
97.02892	7.1
97.06518	1.3
97.10153	1.1
99.04480	1.9
101.02388	2.6
105.07038	3.0
107.04957	2.2
107.08587	5.1
109.02894	1.8
109.06530	1.2
109.10161	11.6
111.08091	1.8
116.39224	0.8
117.06961	1.8
119.08596	3.1
121.06506	0.9
121.10130	2.0
123.11744	0.8
125.00009	2.9
127.03944	1.6
127.11296	1.1
131.08585	1.4
133.10159	2.2
135.11717	4.7
139.03891	0.9
145.10136	2.9
147.11752	1.5
155.10701	1.1
163.04042	1.2
163.11205	4.9
169.10204	0.8
173.11790	2.2
181.12405	0.9
184.07362	13.9
185.04295	1.6
185.07712	1.4
195.09955	0.9
219.09946	0.9
227.12799	5.3
229.14299	1.6
243.08423	4.3
249.10995	12.0
275.12457	1.3
301.08972	3.3
305.13754	3.0
315.19412	1.7
347.14624	1.2
365.16022	1.7
373.11292	2.2
385.18231	1.9
393.15198	2.6
413.17850	21.3
413.23160	1.5
441.20993	1.0
443.18863	1.0
467.18912	19.8
469.20697	0.9
477.24808	2.4
501.23105	1.8
526.20471	3.1
533.27179	5.7
539.20190	1.5
583.26770	1.2
595.27545	0.9
610.29700	3.0
639.29895	100.0
640.30414	3.4
667.33038	4.5
695.32117	4.5
705.25885	1.9
705.38239	40.3
809.40637	48.7
810.41156	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	809.4294
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03433	2.0
59.04992	1.1
61.02930	3.4
65.03953	0.4
67.05504	4.6
69.03429	2.9
69.07072	2.2
70.77406	0.8
71.01378	0.4
71.04990	1.8
73.02923	2.8
74.02429	0.4
79.05495	3.7
81.03416	4.1
81.07058	4.0
83.04980	1.1
83.08617	1.6
85.02911	3.8
86.09697	0.5
87.04470	0.7
91.03946	2.2
91.05473	3.3
93.07041	2.8
93.25367	0.3
95.04967	1.7
95.08613	1.6
97.02895	4.0
97.06544	0.8
97.10188	1.3
99.04462	0.9
101.02397	1.8
105.07044	2.3
107.04964	1.1
107.08602	1.8
108.36415	0.3
109.02891	0.8
109.06549	0.7
109.10177	1.4
111.08104	0.5
117.07018	0.6
119.08626	1.5
121.06512	0.6
121.10116	1.6
123.08101	0.8
123.11739	0.3
125.00098	0.4
125.09648	1.0
127.03915	1.2
127.99207	0.3
129.07022	0.9
131.08571	1.6
131.39064	0.3
133.06126	0.7
133.10164	1.3
137.09583	0.3
145.10146	0.4
147.11731	1.4
149.09610	1.6
157.10184	1.1
159.11562	0.3
163.03969	1.0
165.09209	0.3
165.12843	0.4
175.11244	1.1
184.07393	1.4
185.04240	0.7
193.12270	1.3
197.15578	0.4
203.05312	0.5
223.13373	1.3
225.14851	0.6
243.08415	3.9
267.15979	1.0
283.15170	4.0
291.19495	1.5
301.09174	0.5
331.18777	1.6
339.17743	0.7
387.21722	0.7
441.21091	0.6
451.19452	0.6
454.34891	0.3
462.30035	0.4
469.20428	0.5
501.23068	13.6
502.23291	0.3
549.26752	7.5
639.30103	0.6
647.37463	0.4
659.15674	0.4
748.42993	0.3
800.66919	0.4
809.42932	100.0
810.43060	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	808.5698
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07075	0.2
58.06630	0.4
59.07385	0.2
60.08165	6.2
67.05501	0.4
67.55005	0.1
70.06580	0.3
71.07374	3.4
71.08630	0.2
81.07050	0.4
86.09705	30.3
93.07060	0.2
95.08603	0.3
98.21628	0.3
98.98466	2.9
104.10738	2.5
109.10152	0.2
125.00005	19.8
132.50336	0.1
143.01016	0.2
166.02670	0.1
184.07339	100.0
185.07713	0.6
229.14404	0.1
271.53323	0.1
297.80441	0.1
313.27417	0.3
373.18719	0.2
467.37036	0.3
496.33792	0.2
593.73322	0.1
611.40820	0.1
650.43860	2.6
675.63135	0.1
690.37054	0.2
690.47021	2.0
754.53571	0.5
772.54858	2.1
790.55920	2.4
808.58142	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	806.5413
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	4.5
57.07060	1.3
58.06599	1.6
59.04982	0.8
59.07374	1.1
60.08161	3.2
61.02963	0.8
65.03947	1.8
67.05505	17.9
69.03422	0.9
69.07072	7.8
69.17881	4.3
69.18307	3.5
71.05004	1.2
71.07365	2.5
79.05489	12.1
81.03413	1.7
81.07059	18.4
81.94208	0.8
83.04981	1.7
83.08614	3.7
85.06544	1.0
86.09711	24.3
88.66214	0.8
91.05476	14.2
91.06021	1.5
93.07041	13.9
95.04986	1.1
95.08618	14.3
97.06529	2.7
97.10155	1.0
98.98447	2.3
104.10752	2.7
105.07033	12.5
107.04948	2.4
107.08599	9.2
109.06528	2.8
109.10159	4.9
117.07036	4.1
119.08589	8.7
121.06520	1.2
121.10157	5.9
123.11691	1.0
125.00019	16.7
131.08574	6.1
133.10139	8.4
135.11681	2.8
143.08638	0.8
145.10114	4.6
147.11685	3.6
149.13240	1.4
151.11229	1.0
157.10136	1.2
159.11716	3.6
161.13181	0.9
173.13307	1.0
179.14243	1.3
184.07346	100.0
185.07666	0.9
185.13242	1.2
219.17438	23.3
222.08850	1.0
224.20848	0.8
257.18945	1.0
275.20071	11.0
335.25806	36.1
349.23785	7.6
367.32117	0.9
460.84842	1.1
609.45123	47.2
610.45294	1.7
627.45514	1.2
650.43762	1.1
806.51923	8.7
807.51984	1.6
809.78479	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	808.556
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03421	11.9
57.07055	5.1
60.08154	3.8
65.03921	7.2
65.69408	2.8
67.05505	100.0
69.03430	3.5
69.07061	27.1
69.19892	18.5
69.20325	12.8
71.04977	5.8
79.05495	77.0
81.06597	4.8
81.07054	83.5
83.04955	3.8
83.08622	16.2
85.06524	3.2
86.09709	9.2
91.05479	79.0
93.07044	86.1
95.04964	8.8
95.08611	72.4
97.06523	7.9
97.10155	4.4
99.08049	3.4
105.07027	78.4
107.08595	55.7
109.10150	31.2
117.07015	27.6
119.08580	55.2
121.10156	37.3
123.08051	4.0
123.11698	6.3
125.00044	3.6
129.07034	16.5
131.08577	35.5
133.10126	47.2
134.62436	3.3
135.11696	31.4
135.72273	2.9
143.08534	11.6
145.10114	37.1
147.11681	36.8
149.13268	16.8
155.08557	4.7
157.10120	12.8
159.11685	26.1
161.13264	25.0
163.14764	5.8
168.77875	3.1
171.11653	12.7
173.13298	14.7
175.14810	9.5
176.85075	2.9
183.11737	4.3
184.07306	25.8
185.07744	4.1
185.13258	11.0
187.14778	6.5
199.14818	11.2
201.16336	6.0
203.89276	3.4
210.38434	3.3
231.21098	6.1
239.17902	5.0
241.19513	28.5
243.21059	5.0
257.19135	6.4
259.20590	63.6
261.22113	13.1
298.76663	3.5
315.23245	8.3
315.26801	3.3
333.24268	48.7
335.25800	74.0
337.27301	6.8
422.01163	3.3
519.41766	7.4
542.03113	3.1
593.45386	9.7
611.46674	58.8
701.47638	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	806.4893
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	19.3
57.07083	1.4
59.05011	1.9
61.02925	1.6
65.03943	4.0
67.05508	67.4
69.03427	8.5
69.07071	30.4
70.77367	2.8
71.01340	1.5
71.04987	9.5
73.02952	2.2
75.04414	1.2
77.03956	2.1
79.05498	62.2
81.03421	100.0
81.07061	76.2
83.04986	15.4
83.08149	2.3
83.08623	34.2
85.02908	7.2
85.06551	3.6
91.05483	63.6
93.07049	58.7
93.07530	1.1
95.04973	37.3
95.08614	33.0
97.02885	7.1
97.06528	15.8
97.10169	22.4
99.04456	1.4
99.08104	2.2
103.05475	2.9
105.07039	47.9
107.04958	18.5
107.08596	43.5
108.20397	1.2
109.02926	3.2
109.06522	9.2
109.07171	1.3
109.10169	20.1
111.04462	3.3
111.08088	11.9
115.05487	3.1
115.35135	1.4
117.07029	16.6
119.05008	2.0
119.08589	36.2
121.06532	8.1
121.10149	22.7
123.04443	2.1
123.08076	5.6
123.11692	7.2
125.09647	18.8
127.03916	1.7
128.06238	2.7
129.07022	16.3
130.07730	1.6
131.08578	29.5
133.06493	8.2
133.10126	25.5
135.08055	7.8
135.11696	15.3
137.09644	5.7
139.11157	1.3
141.07005	4.2
142.07805	3.2
143.08578	8.5
145.06493	4.3
145.10135	19.0
147.08070	7.8
147.11681	17.9
149.09624	16.3
149.13219	6.0
151.11192	4.2
153.09129	1.9
155.08530	6.3
156.09352	2.1
157.10135	15.9
159.08112	1.8
159.11667	10.2
161.05984	1.9
161.09616	3.8
161.13300	3.2
163.11211	11.2
165.08977	1.3
165.12730	3.0
169.10176	3.3
171.08044	2.1
171.10249	3.0
171.11705	8.1
173.09636	3.4
173.13248	5.1
175.11180	11.0
177.12750	4.4
179.14397	2.2
181.10136	2.7
181.12164	1.2
182.97374	1.3
183.11713	4.1
184.07394	3.3
185.09772	2.4
185.13260	4.3
187.11139	3.5
187.14897	2.6
189.11252	10.1
189.12762	1.8
193.12247	31.1
195.11806	2.6
195.13739	2.7
197.13341	3.6
199.14877	1.7
201.12796	1.8
205.12274	1.4
209.11664	2.7
209.13417	1.4
211.13232	2.3
212.61317	1.7
215.14420	1.6
217.15855	2.9
223.13229	2.5
227.12778	19.8
229.14339	5.9
239.17998	2.3
245.13776	2.8
249.14853	3.5
253.14452	2.5
255.15880	10.1
257.18985	5.2
267.15921	80.7
268.16202	1.6
269.17429	17.6
273.14938	1.4
273.18500	3.7
275.20068	23.8
291.19638	8.6
293.21271	2.0
297.22119	2.3
299.19983	2.4
309.16898	1.7
315.23026	2.0
331.22717	2.3
349.23758	26.8
351.23041	1.5
355.22754	2.0
365.23111	3.7
367.24847	1.9
369.24261	4.0
373.23987	1.9
385.23660	1.7
387.25122	2.4
403.24557	1.6
419.24396	1.8
421.25714	7.5
431.29276	1.8
435.27487	1.8
437.25305	4.5
443.28241	7.4
445.29633	1.6
447.27454	28.8
449.30124	4.4
455.26733	1.8
459.27182	2.3
461.28973	79.9
467.31226	4.3
477.28528	2.1
479.30197	1.5
493.31894	9.7
501.32043	2.6
519.33258	3.1
523.34418	6.4
541.35327	73.9
542.35565	3.1
559.36359	26.0
560.37128	1.7
569.31897	2.1
573.37988	3.0
583.36444	1.9
587.31421	2.2
591.38171	2.7
667.39075	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	806.4887
Annotation	Unknow
Peak:m/z	Relative Intensity
56.85997	1.2
56.96547	1.3
57.03159	1.4
57.03439	24.4
57.07067	3.5
59.05010	12.4
61.02924	4.5
65.03941	4.9
67.05505	100.0
68.05848	3.1
69.03432	9.3
69.06689	1.7
69.07069	28.2
71.05003	12.2
71.08623	5.1
71.52390	2.1
73.02927	2.8
75.14784	1.1
77.03945	1.6
79.05495	72.6
80.05833	1.6
81.03422	87.6
81.07058	76.6
82.03741	3.0
82.07393	1.9
83.04987	18.0
83.08620	30.8
85.02902	8.9
85.06555	6.7
87.04471	11.5
91.05483	78.4
92.05795	1.9
93.07047	70.5
94.07370	3.4
95.04974	33.3
95.08607	41.7
97.02889	9.2
97.06535	11.1
97.10174	14.3
99.04459	4.0
99.08083	5.2
103.05486	3.1
104.56186	1.3
105.04565	2.2
105.07037	68.8
106.07329	1.4
107.04974	13.1
107.08601	42.7
108.08897	1.7
109.02885	1.6
109.06520	9.8
109.10163	49.8
110.10493	2.7
111.04467	6.5
111.08087	11.6
113.06066	1.6
115.03984	1.3
115.05448	4.1
116.06275	2.0
117.07020	24.9
119.04984	1.9
119.06090	1.4
119.08588	50.6
121.06523	8.5
121.09319	2.2
121.10147	28.8
123.04414	1.6
123.08066	8.8
123.11691	5.7
125.09630	12.7
127.03875	4.0
127.07532	1.3
128.06230	4.7
129.05507	2.9
129.07024	24.0
130.07800	1.7
131.08578	38.8
133.06483	6.3
133.10129	38.3
134.10480	3.4
135.08098	7.3
135.11685	12.2
137.09628	6.6
139.11148	1.5
140.22568	1.2
141.06970	4.9
142.07806	3.6
143.08571	12.4
145.04927	1.5
145.06451	4.3
145.10126	25.5
146.10510	1.3
147.08052	7.8
147.11691	29.0
149.05925	1.3
149.09622	16.2
149.13258	6.3
151.11160	6.0
153.07054	1.7
153.09152	2.3
155.08611	6.3
155.10669	3.1
157.06610	1.8
157.10147	22.0
159.08072	3.5
159.11711	17.0
161.09599	4.6
161.13229	10.7
163.11189	8.3
165.12775	3.4
167.08562	2.9
167.10713	1.3
169.10185	6.7
169.12314	1.4
171.08095	1.3
171.11658	10.1
173.09666	3.2
173.11751	8.3
173.13243	6.5
175.11182	11.5
175.14833	2.7
177.12769	3.7
179.08611	1.7
179.10732	2.1
181.10141	4.4
181.12109	2.8
183.11676	9.1
184.07304	6.6
185.09641	1.8
185.13266	6.4
187.11244	3.2
187.14821	2.9
189.11206	5.2
189.12628	2.3
191.10718	1.6
193.10464	2.4
193.12247	31.1
195.11726	3.8
195.13821	3.0
197.13274	6.0
197.15242	1.3
199.13252	2.7
199.14842	4.9
201.12709	2.7
207.13881	1.2
209.13341	2.8
211.13252	15.1
211.15024	1.9
213.12799	1.8
213.16466	1.5
217.15869	2.3
221.13367	1.6
223.13084	2.8
223.15044	1.8
225.14865	3.4
227.12744	11.6
229.14339	21.0
237.56151	1.3
241.14395	1.6
241.19510	4.5
245.18962	1.7
249.14848	2.2
253.14297	6.8
254.14771	3.6
257.18939	5.5
258.20059	1.3
259.20621	14.4
267.15912	66.7
268.16257	5.1
269.17099	6.5
273.18521	2.3
275.20111	14.8
283.15424	1.5
285.16852	7.7
287.20099	2.6
291.19601	3.4
293.21121	16.2
297.22198	2.0
299.20169	2.1
299.23770	3.2
301.16705	1.5
301.21631	1.3
313.21545	3.5
315.23016	1.8
321.22360	1.4
325.21503	2.1
329.20761	1.4
331.22818	1.7
333.24332	10.7
349.23816	9.6
351.23035	1.5
357.23941	1.6
365.16382	1.4
365.23523	1.8
366.23468	2.8
367.24756	7.2
369.24387	4.1
385.23389	1.6
387.25424	2.6
405.26804	2.0
407.24509	1.4
415.29877	1.8
417.25754	1.6
421.25934	9.2
431.29318	2.1
433.30777	3.8
435.27390	3.0
439.26822	6.6
443.27908	4.8
445.25708	1.8
447.27075	3.4
449.30060	3.0
451.32245	4.7
459.27277	2.2
461.28903	23.1
465.27383	2.6
467.31580	2.2
469.33609	2.3
487.34201	3.1
489.35953	1.4
493.31601	5.2
501.31894	2.0
504.34476	5.0
511.28571	2.3
514.89252	1.4
525.35767	26.2
541.35236	16.1
543.36871	44.2
544.35883	1.7
557.35822	2.0
558.34796	3.8
559.35925	26.4
573.37860	2.9
575.39215	5.6
609.36096	6.4
611.46429	1.9
622.97345	1.7
767.24597	1.5
807.40210	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	806.4528
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96552	1.1
57.03159	1.1
57.03438	20.1
57.07068	2.6
59.05009	5.1
60.08153	1.1
61.02942	7.2
65.03935	3.6
67.05506	100.0
68.05820	1.4
69.03425	11.7
69.07069	47.6
71.01349	3.4
71.04994	9.9
71.12550	1.0
71.52428	1.1
73.02922	5.5
73.06549	1.1
77.03914	1.5
79.05494	64.3
80.05820	1.8
80.06269	1.3
81.03421	32.9
81.07058	73.3
82.03753	1.0
82.04207	5.1
82.04611	0.9
82.07408	2.4
83.04980	20.2
83.08623	23.7
85.02907	14.3
85.06521	5.7
86.09718	4.6
87.04483	2.6
89.06011	1.2
91.03949	2.2
91.05483	63.9
93.07045	54.2
94.07848	2.0
95.04975	27.1
95.05569	2.1
95.08607	44.8
96.05768	2.0
97.02896	11.4
97.06528	23.4
97.10173	23.4
98.07309	4.4
99.04468	2.2
99.08092	2.8
101.06036	1.9
103.05514	1.6
105.04527	3.6
105.07034	42.5
106.07876	1.1
107.04953	16.1
107.08602	35.8
109.02876	3.7
109.06519	10.1
109.10159	53.4
110.07333	1.3
110.10550	1.1
111.04440	5.5
111.08086	10.2
113.05988	1.6
115.05463	3.2
115.07549	1.2
116.04731	7.7
116.06259	1.6
117.07030	15.4
119.04922	1.1
119.08582	36.5
121.06518	10.9
121.10152	17.6
123.04442	2.6
123.08080	11.3
123.11705	5.4
124.39541	0.9
125.00010	1.8
125.05995	1.1
125.09634	23.4
127.03931	2.2
127.07582	1.2
127.11158	1.8
128.06215	2.4
129.05484	22.2
129.06967	10.3
130.07797	1.8
130.66534	0.9
131.08571	22.7
133.06505	3.1
133.08615	1.7
133.10127	36.1
133.11096	2.1
135.07089	1.3
135.08057	9.3
135.11708	12.6
137.09618	16.4
138.53477	1.0
139.11160	1.9
141.06992	1.6
142.07747	2.2
143.07005	5.3
143.08580	5.8
143.10687	2.3
145.04996	1.2
145.06532	2.4
145.10121	18.7
147.08022	5.0
147.11687	13.4
149.09627	20.1
149.13287	3.5
151.11203	7.6
153.09081	2.6
153.12721	2.1
155.08530	2.9
155.10657	2.4
155.82324	1.0
157.08611	10.6
157.10121	9.5
158.05736	2.4
159.08086	3.2
159.11667	10.0
161.09650	4.6
161.13248	5.7
163.07565	1.2
163.11205	16.6
165.09126	2.7
165.12753	1.9
167.10600	1.1
168.09337	1.2
169.10109	2.6
169.12317	1.6
171.06508	1.7
171.07904	1.2
171.10182	5.6
171.11710	3.6
173.04453	2.0
173.09656	3.0
173.11739	13.1
173.13307	4.9
175.11185	7.3
175.14853	1.7
177.09036	1.3
177.12756	3.5
179.10686	1.6
179.14272	3.3
181.12305	3.7
183.11714	2.0
184.07332	11.5
185.07976	1.6
185.13235	2.1
187.11198	2.1
187.14859	1.7
189.11229	9.2
189.12625	1.6
191.10640	3.2
193.12254	12.4
195.11852	1.1
195.13782	2.2
197.11659	1.3
197.13312	2.4
199.09677	1.2
199.13284	9.4
199.14853	1.4
200.14107	1.5
201.12909	1.3
201.14742	1.8
209.11726	6.2
210.12483	1.9
211.13287	7.9
211.15059	1.3
212.15387	1.1
217.14540	1.1
223.13266	4.4
225.11205	1.4
227.12775	15.5
229.14317	27.3
229.19417	1.6
235.13318	1.1
239.18050	1.7
241.14279	1.2
242.15196	1.1
243.15813	1.3
245.19019	1.6
247.20532	2.4
253.14372	19.6
253.18005	1.9
255.15704	6.1
257.19073	4.7
263.20135	2.0
265.14362	1.5
267.15918	13.5
269.17227	1.6
273.18546	9.1
275.20062	21.7
281.17413	1.2
283.15353	7.7
283.18362	1.4
284.16278	1.3
285.16891	5.4
291.16528	1.8
291.19559	22.9
293.21030	3.2
297.17126	1.5
299.14975	2.8
301.16452	43.9
333.24438	1.1
347.22052	2.8
349.17120	1.3
349.23746	25.2
365.23257	13.0
367.24484	1.7
395.24359	1.2
397.22269	4.0
421.25854	2.3
425.25095	3.4
439.26483	3.2
455.26364	8.8
479.30350	5.1
489.32501	1.2
497.27448	1.1
519.33179	9.7
539.33630	1.1
541.34973	4.1
557.34192	1.8
559.35950	3.7
575.35779	22.8
591.35010	4.8
593.36871	4.5
609.35779	4.1
707.44269	1.1
806.42444	2.1
807.40527	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	804.5387
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05030	0.8
56.42412	0.2
57.07081	9.2
58.06603	0.5
59.04755	0.3
59.05001	3.1
60.08165	5.6
67.05499	1.2
69.07049	0.5
69.22166	2.4
70.06594	0.4
70.32471	0.3
71.07374	3.7
71.08244	0.4
71.08638	6.9
73.06541	0.3
79.05470	0.4
81.07050	0.9
83.08616	0.5
85.10184	5.0
86.09710	28.0
87.04459	1.0
87.09996	0.3
89.06035	4.9
91.05482	0.5
92.33912	0.3
93.07021	0.7
93.59658	0.2
95.04976	0.4
95.08630	0.5
98.20809	0.7
98.98464	3.1
99.11720	1.1
104.10750	3.4
105.07049	0.4
109.06479	0.4
113.13271	0.5
117.09119	1.2
125.00010	19.3
133.08609	4.0
135.08051	0.3
155.17931	1.1
170.59792	0.3
177.11224	1.6
184.07347	100.0
185.07625	0.5
191.34007	0.3
213.22134	1.7
245.08054	0.3
271.26279	2.0
273.18600	0.5
291.19507	0.9
335.25607	0.3
360.73907	0.3
454.25058	0.3
459.28049	0.8
578.37274	0.3
586.74353	0.3
690.46686	0.4
731.35199	0.3
738.55237	0.3
786.52362	1.0
804.53632	5.3
821.73859	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	804.5072
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05038	2.6
57.03450	6.7
57.07072	6.1
61.02934	6.2
65.03929	2.3
67.05507	32.5
68.03833	1.3
68.05028	1.6
69.03450	8.8
69.03761	1.4
69.07074	13.1
69.85468	6.8
70.06594	8.4
71.04995	78.6
71.08645	14.2
73.02924	4.7
79.05493	25.2
80.05038	1.4
81.03421	9.1
81.07057	25.8
82.06595	2.1
82.07432	1.7
83.04963	6.6
83.08617	10.2
84.08154	3.4
85.02915	7.0
85.06522	1.6
85.10189	2.4
86.06088	3.8
86.09721	3.1
87.04507	1.4
88.04002	2.9
91.05477	18.1
91.06020	1.5
93.07044	20.8
94.06570	1.6
95.04974	4.7
95.08613	18.1
96.08132	7.7
97.02896	7.0
97.06532	5.6
97.10177	7.1
98.06052	5.0
99.04453	1.6
99.08111	5.2
105.04552	1.5
105.07037	12.9
106.07402	1.3
107.04967	2.6
107.08600	14.1
109.02885	1.9
109.06524	3.6
109.10153	9.5
111.08100	2.1
112.07609	5.1
117.07040	5.6
119.08571	8.9
121.06524	1.9
121.10169	4.5
123.08044	2.8
123.11731	2.5
124.07607	2.9
125.09627	7.4
127.03896	3.2
129.07013	3.9
131.08601	5.9
133.10146	7.0
135.08099	3.6
135.11707	3.9
137.13266	1.7
142.08705	4.9
143.08557	3.0
145.10141	4.3
147.08031	1.9
147.11720	4.7
149.09679	3.0
149.13312	2.7
151.11183	6.0
153.09128	2.5
155.08664	1.3
157.10187	2.0
158.08162	7.6
159.11746	2.5
161.13274	3.1
163.11212	6.3
165.12801	1.7
170.08171	1.9
171.11687	3.3
173.04433	2.0
173.13336	1.5
177.12836	1.3
179.14388	1.6
184.07396	4.8
185.13315	1.7
196.13293	2.0
199.74611	1.2
220.17094	4.6
227.12846	4.5
229.14409	3.6
238.18082	2.3
241.19615	2.9
248.16731	1.4
255.24434	1.3
269.17606	3.1
275.20169	4.0
276.20389	3.1
277.21732	5.9
313.27527	5.5
320.26068	1.8
349.24042	1.9
350.24454	1.6
351.25500	5.6
392.18640	2.6
463.30850	4.2
505.34592	1.4
527.37775	2.0
544.37256	1.3
545.38269	15.3
545.45544	1.7
586.31140	2.9
616.61224	1.4
621.87415	1.5
624.43555	2.0
627.46454	5.1
642.44855	3.0
645.47437	2.5
668.39111	5.6
730.59338	1.5
750.47681	1.7
801.64624	1.6
804.51086	100.0
805.51099	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	804.4738
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	8.6
57.07063	0.6
59.04995	0.7
61.02913	0.9
65.03936	1.1
67.05507	25.9
69.03430	7.6
69.07071	19.4
71.05004	3.4
79.05495	21.6
81.03420	58.6
81.07059	22.8
83.04989	6.8
83.08620	15.3
85.02900	1.8
85.06552	1.2
85.43379	0.6
90.52106	0.6
91.05482	22.0
93.07043	18.0
95.04966	20.3
95.08614	10.3
97.02897	8.9
97.06541	3.5
97.10173	11.9
98.20748	1.6
99.08089	1.0
99.15590	0.6
103.05489	0.9
105.06312	0.9
105.07028	16.9
106.50657	0.6
107.04962	8.9
107.08601	14.9
109.06519	4.1
109.10156	10.0
109.10839	0.9
111.04457	1.4
111.08086	5.6
113.05969	0.7
115.05450	1.8
117.07022	5.6
119.04949	2.2
119.08592	15.5
120.37989	0.5
121.06493	5.2
121.10136	9.8
123.04446	1.0
123.08075	3.8
123.11709	1.9
125.09628	9.1
125.10462	0.9
128.06262	0.8
129.07001	9.0
130.07732	0.7
131.08594	9.9
133.06522	4.8
133.10130	9.0
134.07306	1.0
135.08078	3.6
135.08995	0.6
135.11696	2.1
137.09642	2.3
142.07800	1.5
143.08546	2.7
145.06491	0.8
145.10129	6.2
147.08058	6.8
147.11708	6.0
149.09641	5.2
149.13280	1.5
150.85451	0.6
151.11188	3.1
153.09169	1.5
155.08543	1.8
155.10649	0.6
157.10117	8.0
159.08067	1.2
159.11703	3.3
161.09608	2.9
161.13283	0.9
162.10446	0.8
163.11165	2.9
165.12781	2.0
169.10159	0.8
169.12335	0.8
171.08040	0.9
171.11702	1.8
173.09599	0.8
173.11789	0.6
173.13275	1.0
175.11189	7.9
177.12767	0.8
181.10130	0.9
181.12352	0.7
184.07388	0.9
185.13283	1.0
187.11211	0.9
187.13445	0.8
189.11232	3.3
189.12714	0.8
191.10658	0.6
193.12244	12.9
195.13728	0.8
199.11295	0.5
205.12297	2.3
211.13333	1.4
213.12756	0.8
219.13872	4.0
223.13307	13.0
227.12810	6.4
229.14566	1.0
233.15462	0.8
245.19131	1.1
249.14900	3.4
253.14371	3.9
267.15918	69.4
268.16205	0.9
271.80295	0.6
273.15384	1.1
273.18448	8.0
283.15543	0.9
287.19888	0.7
291.19540	68.5
292.19864	0.9
309.17401	0.6
313.21591	1.7
327.80759	0.6
347.22440	1.7
365.23233	40.3
366.23486	0.9
385.23849	0.9
437.25198	1.0
445.25986	4.9
459.27319	6.1
463.26990	1.9
465.30008	0.9
477.28299	3.4
483.31076	2.3
529.35260	0.8
539.33661	6.9
557.34741	100.0
558.35162	2.9
575.35779	1.9
589.37012	0.8
599.35901	1.0
607.33838	0.9
683.37830	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	804.4735
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03180	1.4
57.03439	13.0
57.07058	2.6
59.05009	1.1
61.02921	1.4
62.91874	0.8
63.53464	0.8
65.03923	2.7
67.05508	65.5
69.03435	7.4
69.07072	13.4
70.00470	4.0
71.01349	1.5
71.04996	5.4
73.02898	1.8
79.05494	39.0
81.03420	71.1
81.07060	59.6
83.04982	15.1
83.08625	20.2
85.02887	3.7
85.06551	5.2
87.04445	1.3
91.05482	62.2
93.07046	43.3
93.07641	1.9
94.49252	0.9
95.04379	1.3
95.04974	25.8
95.08609	28.9
97.02900	5.1
97.06519	7.5
97.10166	5.4
99.04430	2.2
99.08086	1.8
103.05441	1.1
105.04520	1.5
105.07034	47.8
107.04971	12.9
107.07877	2.0
107.08599	40.3
109.02900	1.5
109.06529	11.2
109.10161	48.6
109.13979	0.9
111.04424	2.7
111.08085	9.7
113.05999	2.6
115.05428	2.6
117.07018	10.2
119.04942	1.1
119.08579	22.3
121.06507	9.5
121.10138	12.8
123.04420	2.9
123.08092	4.7
123.11716	8.5
125.05942	1.5
125.09634	4.0
127.07533	3.1
128.06235	1.1
129.05461	1.1
129.07010	10.3
130.07784	1.2
131.04922	1.1
131.08580	16.7
133.06531	7.6
133.10138	63.2
134.10411	1.2
135.04433	1.0
135.08067	7.6
135.11693	14.9
137.05988	1.5
137.09633	5.5
139.07588	2.4
141.06964	1.8
142.07764	2.2
143.08565	6.2
145.06439	2.8
145.10126	13.8
147.08040	6.7
147.11710	8.9
149.09637	7.6
149.13182	1.4
151.11192	28.8
153.12726	1.2
155.08519	2.2
157.10138	13.5
159.08029	1.9
159.11678	4.3
161.09621	7.3
161.13237	2.2
163.11177	16.5
165.12770	1.7
169.10141	2.2
169.12204	3.6
171.07927	1.1
171.11668	4.1
173.11725	2.7
173.13158	1.2
175.11177	10.3
177.09145	2.2
179.10664	3.4
181.12245	4.0
184.07327	2.5
185.09532	1.4
185.13292	1.2
193.12257	19.9
195.11736	1.5
195.13780	1.1
197.13292	1.0
201.12773	1.3
203.10690	1.2
205.12202	2.3
207.13774	1.5
209.11632	1.6
211.13371	1.5
213.12617	1.6
213.16258	1.3
215.12828	2.0
217.12379	1.5
223.13225	1.5
227.12790	17.7
227.17964	1.0
229.14368	10.2
245.19049	3.7
253.14359	97.5
255.17485	1.5
263.20111	3.3
267.15930	74.5
271.15460	1.8
273.18527	15.3
275.20126	1.2
283.15396	15.0
287.20004	12.5
291.19547	19.0
301.16711	1.8
309.20505	2.3
337.87021	1.1
342.24280	0.9
343.22604	1.7
347.22177	7.3
365.23257	32.0
371.22250	2.1
389.23288	2.0
399.23752	2.8
421.25848	3.8
435.27643	1.3
437.25345	11.6
445.25916	18.9
447.28754	1.8
459.27103	1.5
461.25287	1.6
463.26923	25.6
465.29959	3.6
475.27051	1.8
483.30942	3.2
487.43622	1.1
501.28635	1.1
521.32501	1.5
539.33698	19.3
540.33618	1.2
557.34766	100.0
558.34564	2.9
575.35840	4.9
607.34869	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	804.4375
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03438	23.5
59.05000	4.0
61.02920	6.9
65.03944	3.6
67.05509	74.3
69.03435	24.5
69.07069	49.3
70.06593	3.7
71.01354	2.8
71.04991	18.8
72.08156	1.9
73.02920	5.6
79.05495	70.0
81.03419	33.7
81.07058	80.5
82.07397	3.0
83.04981	19.4
83.08615	21.0
83.70294	1.9
85.02919	12.5
85.06533	6.2
87.04445	2.7
90.02711	2.1
91.03960	3.2
91.05479	74.7
93.06573	1.7
93.07046	61.4
95.04965	23.0
95.08605	36.9
97.02896	21.9
97.06532	96.8
97.10173	9.5
99.00809	20.8
99.01389	2.3
99.04437	5.4
99.08089	6.0
103.03956	3.3
103.05453	4.9
105.04530	2.6
105.07031	52.8
107.04958	19.8
107.08591	39.4
109.02875	18.2
109.06519	27.2
109.10172	19.7
111.04436	6.8
111.08094	16.4
113.06026	4.0
115.03940	4.5
115.05447	4.9
115.07571	23.0
117.07020	24.0
119.04955	3.6
119.08588	34.9
121.06526	22.1
121.10139	20.5
123.04450	6.3
123.08081	7.7
123.11688	7.1
125.09633	8.9
127.03902	10.0
127.07572	3.3
128.06241	5.2
129.05508	3.6
129.07014	12.4
131.08553	23.3
133.06503	4.8
133.10130	59.7
133.11102	4.1
135.08047	16.5
135.11697	11.3
137.06041	4.2
137.09665	5.3
139.03967	2.1
139.07530	6.0
141.07005	3.6
143.08559	16.4
144.97978	2.0
145.06512	5.2
145.10158	17.6
147.04425	2.3
147.08054	11.2
147.11688	6.3
149.09605	7.4
149.13239	7.8
151.11183	18.5
155.08531	2.9
157.08823	1.5
157.10133	11.1
159.08076	4.8
159.11699	10.8
161.09612	31.0
163.03922	3.9
163.07661	2.3
163.11194	12.8
163.12366	1.8
165.09058	3.6
169.10101	2.6
171.08069	6.5
171.11633	4.3
173.04469	6.7
173.09677	3.9
173.11823	2.5
173.13232	3.6
175.11150	4.6
177.12801	6.2
179.10692	12.7
181.12250	2.4
183.11728	3.1
184.07372	4.2
187.11324	2.2
189.09145	11.3
189.11182	3.8
189.12738	2.5
191.10744	2.9
193.12190	1.9
194.25623	1.9
195.11858	2.1
195.13745	4.4
197.11736	3.4
199.14865	5.3
203.14395	2.3
207.10300	3.5
209.11758	2.7
217.15929	8.7
221.15309	3.1
225.11234	18.3
227.12691	15.4
227.17885	4.6
229.14374	3.2
233.15390	4.5
237.16446	2.3
243.12395	3.7
245.19028	6.0
253.14415	7.7
255.17549	5.4
263.20114	2.2
267.15979	5.4
269.17496	24.2
271.17001	1.9
273.15805	3.4
273.18509	35.4
281.13889	9.1
283.15356	12.9
289.18073	7.2
291.19574	25.1
299.14899	100.0
301.16479	8.5
307.19022	8.6
347.22174	17.5
355.17438	2.7
363.21924	2.1
365.23264	17.4
381.22757	3.0
383.24359	2.0
437.25375	2.5
479.26572	5.8
491.26480	2.6
493.27985	46.4
495.25977	2.9
509.27438	10.4
513.28613	2.6
521.27362	5.1
530.09631	2.2
531.29315	4.4
549.30011	2.7
571.32458	13.2
589.33472	31.7
607.34656	14.5
691.87653	2.0
725.32166	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	802.5671
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	15.8
57.07078	39.3
60.08171	1.8
61.02930	1.5
62.81953	0.9
65.03935	2.5
67.05506	43.3
69.03423	6.0
69.06729	1.5
69.07069	20.2
69.30097	0.7
69.30357	7.7
71.04993	3.0
71.07367	1.3
71.08633	27.2
73.02913	0.8
79.05495	26.9
81.03412	9.5
81.07058	59.5
82.52499	1.1
83.04976	8.7
83.08622	16.6
85.02895	4.4
85.06557	2.3
85.10188	17.0
86.09708	6.7
89.06042	1.1
91.05484	22.8
93.06560	0.8
93.07042	35.9
95.04976	5.6
95.08607	36.5
97.02891	3.9
97.06541	9.7
97.10176	6.6
99.04463	1.8
99.08099	2.0
105.07032	20.9
107.04943	5.3
107.08595	20.2
109.02885	1.8
109.06525	3.5
109.10158	17.8
111.08086	3.7
111.11735	1.8
117.07022	10.0
119.07796	1.2
119.08589	11.9
121.06500	3.9
121.10150	8.8
123.08067	1.8
123.11684	5.6
124.99997	4.5
125.09636	2.9
127.03914	1.8
128.06229	1.1
129.05476	1.7
129.07002	3.5
131.04880	0.9
131.08560	12.8
133.06512	1.3
133.10135	13.1
135.08063	2.9
135.11676	10.6
137.09602	1.0
137.13319	1.0
143.08556	1.6
145.10132	9.6
147.08070	1.5
147.11691	7.0
149.09624	8.6
149.13223	9.3
151.11182	2.1
155.08463	1.2
157.10147	3.0
159.11685	10.1
161.13257	3.3
163.11176	5.2
165.12766	1.5
173.04549	1.9
173.13271	3.0
175.11124	0.9
177.12787	3.5
181.12230	1.4
183.11720	1.3
184.07335	21.1
185.13205	1.1
189.11186	1.2
191.14201	1.0
195.13847	5.5
197.13339	1.2
199.14845	1.2
217.15852	1.2
219.13806	1.2
219.17487	1.8
227.12823	3.3
239.17986	3.4
239.23720	2.8
247.20618	2.0
251.16272	1.3
253.14372	1.3
255.15889	16.7
257.19040	6.0
257.24829	2.0
267.15851	1.5
269.17505	42.8
275.20050	21.4
293.17688	1.3
293.20984	2.2
309.20612	1.4
313.27368	100.0
314.27686	1.8
331.22559	2.0
339.17856	2.2
349.23752	23.9
367.24997	6.0
413.21753	3.3
467.37405	1.1
483.36923	1.6
489.87158	0.9
493.31757	1.3
493.38861	22.6
507.40454	98.5
508.40863	2.7
531.40924	1.0
547.43451	3.3
587.38141	1.9
587.46741	26.6
605.47528	10.9
651.44641	2.1
802.56952	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	802.5671
Annotation	Unknow
Peak:m/z	Relative Intensity
56.84731	1.6
57.03429	8.0
57.07081	23.6
60.08155	4.7
65.03930	3.6
67.05184	2.6
67.05508	31.7
69.03426	4.6
69.07072	13.7
69.80705	5.9
69.81119	4.4
71.04996	2.7
71.07370	3.4
71.08634	20.8
74.09683	3.9
79.05499	32.2
81.03399	3.9
81.06594	2.6
81.07058	34.0
83.04967	2.6
83.08627	16.2
85.10170	8.6
86.09710	21.3
90.44299	1.8
91.05486	14.4
93.07041	14.7
95.08614	17.2
97.06561	2.5
97.09566	2.2
97.10175	36.5
98.98461	3.3
103.05499	2.2
105.07032	20.3
107.04946	2.8
107.07890	2.8
107.08600	47.5
109.06508	2.8
109.10175	13.3
111.08077	2.5
117.07017	5.6
119.08564	8.4
121.10152	4.2
123.11684	4.5
125.00012	16.5
125.09640	38.0
127.03884	2.9
131.08539	7.2
133.10121	10.7
135.08012	4.5
135.11705	2.6
136.20918	1.9
145.10107	14.8
147.11681	8.1
149.09592	6.5
153.09152	3.7
159.11761	3.8
161.13263	3.2
171.10197	2.7
171.11638	2.9
184.07359	72.6
189.11220	22.6
189.74815	1.9
206.40483	1.8
227.12788	100.0
239.23811	2.0
257.18875	9.8
275.17285	1.2
275.20050	38.5
313.27365	74.5
331.22672	8.6
349.23743	47.2
381.12796	2.3
389.17911	5.0
409.91705	2.2
483.36697	9.0
587.46741	65.3
605.47516	7.3
619.35010	2.1
620.46564	2.2
627.40796	4.1
694.35181	2.1
700.59418	2.4
802.46930	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	800.5516
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03204	1.1
57.03439	18.0
57.06839	1.0
57.07079	11.8
60.08146	4.3
61.02905	3.0
65.03923	4.2
67.05508	76.4
69.03437	10.3
69.07070	59.5
69.19435	1.1
69.19744	11.3
71.01369	1.3
71.05000	6.3
71.07367	1.9
71.08635	6.6
79.05495	47.9
81.03420	12.6
81.07058	96.8
83.04990	11.9
83.08618	34.4
85.02915	8.3
85.06530	4.8
85.10172	4.0
86.09225	1.7
86.09711	24.8
87.04469	1.2
91.03952	1.6
91.05482	39.9
93.07045	61.8
95.04974	10.4
95.08609	46.2
97.02886	5.2
97.06526	16.4
97.10175	21.5
98.21506	2.8
98.98483	1.7
99.04503	1.4
99.08080	4.4
103.05383	1.2
104.10732	2.5
105.04523	2.1
105.07027	27.0
107.04955	8.3
107.08595	38.3
109.02854	3.0
109.06499	5.3
109.10162	18.0
111.08089	6.6
111.11722	3.8
115.05431	1.6
116.48634	1.1
117.07022	15.3
119.04872	1.3
119.07803	1.8
119.08582	21.5
121.06471	4.2
121.09334	2.2
121.10144	31.3
123.08079	3.3
123.11726	7.6
125.00014	15.1
125.09628	5.5
127.03897	4.2
129.05481	2.8
129.06996	5.1
131.08563	18.7
133.06424	1.8
133.10115	13.6
135.08043	4.5
135.11696	24.0
137.09625	3.1
137.13225	3.2
139.11168	2.2
141.05025	1.1
141.06979	1.5
141.57811	1.4
143.08517	3.2
145.04924	1.5
145.06468	1.7
145.10126	12.2
146.98132	1.4
147.08043	1.8
147.11684	7.5
149.09631	10.5
149.13249	13.4
151.11148	3.0
151.14839	1.4
153.12756	2.3
155.08514	2.3
157.10164	2.4
159.11705	14.2
161.09608	1.3
161.13257	3.8
163.11211	8.3
163.14825	3.3
169.10092	2.1
171.11713	2.9
173.04419	3.5
173.13261	4.6
175.11050	1.6
177.12750	5.4
183.11742	1.9
184.07343	62.6
185.13179	1.4
195.13791	5.0
197.13139	1.9
202.87129	1.2
205.12051	1.2
207.13893	1.2
219.21097	2.7
227.12761	5.3
229.14381	2.0
237.22153	4.1
239.17946	2.5
245.13812	1.3
247.20670	2.1
255.15962	15.7
257.19080	6.4
267.15863	2.2
269.17459	33.9
275.20065	25.7
293.17447	1.5
293.20956	2.9
309.20584	1.5
311.25812	100.0
313.27393	1.9
331.22729	2.7
349.23761	27.9
367.24762	4.8
413.21719	3.0
426.66348	1.1
439.39450	1.2
465.35858	2.1
487.57791	1.3
491.37302	22.5
505.38901	95.0
506.39285	2.8
545.42090	3.8
573.65521	1.4
585.45111	33.7
603.46271	11.0
631.42181	1.3
649.42133	2.3
800.53711	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	800.5516
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	7.9
57.07077	22.2
57.40202	1.1
67.04809	2.2
67.05193	4.0
67.05509	19.3
69.03428	6.5
69.07076	21.6
69.08565	1.2
69.25623	10.0
71.04992	1.7
71.08643	17.8
79.05497	16.7
81.03428	3.5
81.07059	21.9
83.04990	2.9
83.08614	11.9
85.10186	10.3
86.09723	8.0
91.05482	12.4
93.07043	10.0
95.04974	5.3
95.08615	21.4
97.02900	7.5
97.06518	1.9
97.10183	12.6
98.21551	2.5
99.11762	1.5
99.34353	1.2
105.07047	8.7
107.04942	5.5
107.08583	9.8
109.06511	1.7
109.10174	9.6
113.13110	1.3
117.07019	7.0
119.08578	9.6
121.06479	3.0
121.10155	4.2
123.08041	1.8
123.11707	2.4
125.00005	6.5
125.09614	6.1
129.06996	1.9
131.08571	5.0
133.06534	2.2
133.10132	4.2
135.08105	3.0
135.11693	2.3
137.09660	1.7
137.13281	1.7
143.08556	2.4
145.10153	4.0
147.08069	5.3
147.11714	1.7
149.09666	2.0
157.10146	1.7
161.09644	2.8
175.11108	1.2
177.12770	1.4
184.07341	31.1
185.07680	2.6
189.11214	3.0
205.12228	2.2
223.13303	15.1
227.12837	4.8
249.15005	3.3
253.14258	1.5
257.24854	2.3
267.15939	1.4
273.18539	13.1
291.19550	90.3
292.20078	1.4
313.27386	91.6
346.74210	1.4
347.22128	2.3
365.23242	70.6
366.23660	1.9
523.40381	6.1
578.28094	1.3
585.45032	2.5
603.46210	100.0
604.45923	3.5
743.42560	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	800.5499
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05012	0.8
57.03447	4.1
57.07080	10.3
57.52050	0.6
57.76535	0.5
58.06608	0.6
60.08166	5.7
61.02907	1.1
65.03941	0.9
67.05508	19.7
69.03417	2.0
69.07075	6.4
71.04977	1.7
71.07367	3.5
71.08635	7.5
79.05499	10.1
81.03400	1.9
81.06590	1.0
81.07062	20.5
83.04999	3.7
83.08623	4.4
85.02904	0.9
85.06536	1.8
85.10184	4.4
86.09712	32.5
90.75533	0.5
91.05487	16.4
93.07046	11.0
95.04947	3.1
95.08059	0.9
95.08617	11.4
97.06527	2.1
97.10175	1.5
98.98470	3.6
99.04449	0.9
104.10741	2.7
105.07032	14.5
107.04959	2.6
107.08596	12.0
109.06544	3.0
109.10165	20.3
111.08085	1.3
113.06018	1.0
117.07033	2.7
119.08591	3.9
121.06509	2.6
121.10140	2.0
123.08041	1.6
123.11703	4.1
125.00006	21.2
125.09650	0.6
127.07496	0.9
128.06148	0.7
129.06976	1.2
131.08566	3.3
133.06474	1.3
133.10143	25.6
135.08054	1.8
135.11620	1.0
137.06062	0.6
137.09608	0.7
143.08594	1.2
145.10129	1.9
147.08009	1.2
147.11676	1.2
149.09625	2.4
151.11186	9.7
157.10136	1.2
159.11646	1.0
161.09621	2.1
161.13245	0.9
161.47063	0.5
169.12273	1.9
171.11749	1.4
175.11153	1.3
179.10721	1.0
184.07350	100.0
185.07773	1.1
185.13309	0.8
195.00238	0.6
215.12831	1.1
223.13239	0.7
239.23984	0.6
245.19009	2.0
251.12785	2.1
253.14365	54.5
254.14621	0.6
263.20135	1.8
273.18530	8.6
291.19519	8.2
291.22513	0.8
309.20636	0.8
313.27383	23.2
341.26959	1.0
347.22311	4.2
365.23230	15.4
507.36765	0.7
509.38406	8.9
585.14166	0.5
585.45026	2.2
603.46216	33.8
604.46252	1.3
628.46021	1.9
782.56824	7.3
800.46204	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	797.517
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	1.3
61.02927	6.4
65.03940	0.4
67.05502	5.5
69.03432	3.7
69.07073	1.5
71.01358	0.6
71.04997	0.4
71.12909	0.4
73.02918	5.4
79.05494	3.1
80.39897	0.3
81.03413	2.0
81.07055	5.5
83.04995	0.4
83.08617	0.5
85.02907	6.2
86.09714	0.8
87.04464	0.7
91.03959	3.1
91.05483	2.6
93.07042	4.9
95.04936	0.3
95.08611	4.1
97.02895	4.7
97.06522	0.3
99.04459	0.8
101.02367	1.8
103.03950	0.5
105.07027	1.4
107.08603	2.5
109.02880	0.4
109.10159	1.9
115.03928	0.5
117.07024	0.6
119.08607	1.1
121.10133	1.7
123.11703	0.5
127.03929	1.8
131.08600	0.8
133.10159	0.9
135.11722	1.0
145.10149	0.5
147.11662	0.6
149.13275	0.4
159.11778	0.6
161.13304	0.5
173.13255	0.3
184.07324	1.5
185.04196	0.6
203.05243	0.4
243.08406	1.9
261.22260	0.4
263.06744	0.3
326.09286	0.3
335.26083	0.8
497.30881	0.3
519.29297	11.6
520.30072	0.3
625.44110	0.5
797.51727	100.0
798.52325	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	796.5482
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05013	0.5
58.06591	0.5
59.07381	0.3
60.05870	0.2
60.08165	6.3
69.50540	0.6
69.50960	1.4
71.07056	0.3
71.07375	3.9
86.09705	28.8
98.98466	2.9
104.10748	3.5
125.00007	19.8
184.07341	100.0
185.07666	0.8
372.23138	0.2
387.32922	0.3
408.87622	0.3
796.54755	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	795.4499
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03428	1.3
61.02933	5.5
61.09967	0.4
65.03925	0.5
67.05507	8.2
69.03438	3.4
69.07062	0.7
71.04984	0.8
71.52477	0.5
71.52834	0.5
73.02921	3.6
79.05483	2.4
81.03432	1.9
81.07062	4.1
83.08623	0.8
83.83030	0.4
85.02911	5.8
86.09692	0.8
87.04463	1.5
88.59266	0.5
91.03960	3.8
91.05482	1.8
93.07053	3.5
95.08629	2.6
96.28305	0.4
97.02892	5.3
99.04449	0.9
101.02378	2.0
105.07055	1.2
107.08601	1.4
109.02878	0.6
109.10167	5.1
114.35432	0.4
119.08596	0.9
121.10162	1.4
123.11706	0.5
127.03919	2.1
131.08571	0.6
133.10130	0.8
135.11731	0.9
139.03957	0.6
145.04938	0.4
145.10135	0.4
147.11662	0.5
148.23853	0.4
163.65430	0.4
173.11760	1.7
184.07306	2.0
185.04256	1.0
195.09966	1.1
203.05289	0.6
229.14420	1.3
243.08340	2.1
335.25986	1.2
413.17856	9.4
426.61121	0.4
461.50037	0.6
465.19186	0.5
506.30426	0.5
519.29297	9.3
565.90399	0.5
578.31305	0.5
609.30969	0.5
650.26056	0.4
691.40295	100.0
692.40747	3.7
749.44098	0.7
777.44165	1.1
795.44501	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	795.4495
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	1.8
57.07063	0.4
59.04995	0.5
60.08154	0.5
61.02930	4.6
67.05511	3.5
69.03440	2.7
69.07069	1.8
71.04991	0.9
73.02918	3.3
79.05497	4.2
81.03419	4.0
81.07056	3.8
83.04961	0.8
83.08638	1.6
85.02906	4.5
85.06554	0.7
86.09705	2.1
87.04487	0.7
91.03955	2.8
91.05486	3.8
93.06469	0.6
93.07029	4.5
95.04948	1.4
95.08596	2.0
97.02893	4.3
97.06541	0.7
98.21526	0.7
99.04459	0.8
101.02372	1.9
103.03963	0.4
105.07022	2.9
107.08601	2.6
109.02895	0.6
109.06579	0.4
109.10194	1.1
111.04468	0.3
111.08125	0.5
111.18118	0.3
111.57336	0.3
115.03936	0.4
115.05459	0.4
117.07016	0.5
119.08614	2.3
121.10145	2.6
125.00040	1.7
127.03906	1.7
128.06235	0.4
129.05519	0.7
129.07025	1.0
131.08548	2.3
133.10133	2.0
135.11716	1.0
145.10165	0.7
147.11703	2.2
149.09618	2.0
157.10251	0.7
159.11722	0.3
163.11224	0.3
171.11737	0.5
175.11249	0.7
181.04761	0.3
184.07347	5.9
185.04312	0.8
185.07764	0.6
193.12320	1.2
197.15486	0.5
201.03723	0.4
203.05325	0.5
211.13368	0.5
225.14865	0.6
243.08405	3.6
259.20660	0.5
267.15988	0.7
283.15128	4.2
301.09018	1.5
309.16977	0.5
313.08728	0.3
315.10660	0.9
317.20993	0.6
339.17908	1.3
373.10892	0.4
373.23492	0.4
381.19110	0.4
385.18399	0.6
397.18460	0.4
427.19424	0.5
441.21259	0.6
465.21219	1.0
465.28094	0.3
469.20718	1.0
483.21756	0.4
501.23068	14.8
502.23248	0.3
529.22723	0.9
535.28717	6.7
573.25366	1.4
587.26917	0.6
601.28906	0.4
615.30255	0.5
633.40131	0.5
643.32922	0.4
657.34735	0.5
705.38812	0.4
725.37164	0.5
749.40826	0.5
777.43170	0.3
777.46307	0.3
795.45001	100.0
796.45361	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	795.4138
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	2.8
61.02929	5.0
64.50522	0.8
67.05507	5.9
69.03445	2.7
69.07069	3.1
69.35522	5.9
70.06603	0.9
71.01339	0.9
71.05005	1.3
73.02934	4.0
77.56164	0.7
79.05494	4.3
81.03426	4.7
81.07047	5.5
83.04983	0.9
83.08661	1.4
85.02898	6.3
86.09706	4.6
87.10056	0.8
88.30965	0.7
91.03986	3.5
91.05479	4.4
93.07033	4.4
95.04978	1.9
95.08628	2.6
97.02894	5.2
97.06536	1.0
98.20795	1.8
98.98492	1.0
99.04462	1.3
101.02380	1.6
105.07046	3.0
107.08619	2.1
109.02911	1.0
109.10191	2.4
111.08040	0.8
117.07075	1.2
119.08598	1.8
121.10152	1.6
123.08165	0.8
124.76847	0.7
125.00017	2.1
127.03888	1.9
131.08633	1.5
133.10179	2.8
135.11731	2.2
145.10144	0.8
147.11725	1.6
157.10092	0.8
184.07353	14.5
185.04330	2.4
185.07800	1.4
193.12288	1.2
203.05478	0.9
243.08444	3.6
259.08063	0.8
285.72849	0.8
301.08957	5.8
315.10339	1.0
331.18573	1.3
369.15384	1.3
373.11288	1.2
385.18472	2.5
413.18054	1.0
416.45398	0.9
429.17337	1.3
439.19427	2.1
443.18887	2.0
449.25131	0.9
451.19574	1.5
469.20685	5.1
478.84476	0.8
481.20615	2.1
485.19281	1.5
487.21774	2.1
541.22504	4.1
549.26953	1.1
551.28357	5.5
583.31042	1.1
623.30493	1.4
625.31543	1.6
641.31921	1.4
665.20264	0.8
667.33246	2.5
693.37238	1.1
697.33704	1.6
709.33539	4.3
723.38019	1.1
735.16138	0.8
737.40778	1.3
749.40900	3.1
773.23248	0.9
777.40790	6.9
787.12091	0.9
795.41272	100.0
796.41364	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	795.4141
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96559	1.1
57.03431	2.1
60.08149	1.0
61.02927	5.5
67.05502	6.2
69.03420	4.3
69.07075	2.9
70.00417	2.4
70.88604	0.5
71.05004	1.7
71.07376	0.7
73.02912	4.3
76.83257	0.8
79.05493	4.1
81.03426	3.5
81.07063	5.0
83.04993	1.8
83.08617	1.4
85.02908	7.0
86.09707	5.7
87.10053	0.9
91.03969	3.1
91.05482	3.5
93.07029	3.4
95.04977	1.3
95.08620	2.5
95.37207	0.5
97.02893	5.8
97.06508	0.7
97.10181	0.9
99.04468	1.3
101.02392	1.8
104.10738	0.8
105.07027	2.7
106.96243	0.7
107.04965	0.8
107.08606	2.2
109.02894	0.9
109.06526	1.1
109.10178	2.2
111.04449	0.6
115.03952	0.6
117.05487	0.8
117.07016	0.9
119.08613	2.3
121.06496	0.7
121.10194	1.9
123.04408	0.7
123.08072	0.6
125.00021	3.7
125.09603	1.1
127.03943	1.9
129.05478	1.2
131.08588	1.5
133.10141	1.3
135.11713	1.0
145.10118	1.0
147.11691	0.8
149.02356	0.7
149.09608	1.2
149.13329	0.6
157.10139	1.2
163.11253	1.0
174.49501	0.6
184.07341	19.3
185.04289	2.9
185.07701	2.2
193.12460	0.6
200.19969	0.6
201.03789	0.6
203.05296	0.6
223.13423	0.8
229.14349	0.7
243.08438	4.5
244.08508	0.6
249.11285	0.5
251.12648	1.2
267.09174	0.6
301.08920	9.0
315.10559	2.3
321.51730	0.6
327.10635	0.8
329.11957	0.7
331.19122	0.6
333.20319	3.9
341.12134	0.7
341.37451	0.6
349.16495	0.8
357.15344	0.8
371.16922	1.1
373.11127	3.3
383.16812	1.1
385.18307	6.1
387.12405	1.3
409.17899	0.6
429.17581	1.6
431.24396	2.0
439.19611	2.1
443.18747	2.7
445.25348	1.0
453.21420	0.6
463.29276	0.7
467.19312	0.7
469.20587	4.5
477.24509	0.8
481.20612	3.0
485.19849	2.2
487.21484	1.7
499.21506	1.2
513.26569	0.7
515.33282	1.2
541.22430	7.4
551.27997	6.6
555.25488	0.6
583.30695	1.7
597.29053	0.6
623.30426	3.4
625.32355	2.2
637.32330	0.8
651.33099	0.7
667.33130	2.1
693.38403	2.8
707.39606	0.7
709.34100	5.0
723.39410	1.1
733.41345	0.6
735.38855	1.0
737.40826	1.8
749.40924	2.3
775.02625	0.6
777.40344	4.0
778.40228	0.7
795.41290	100.0
796.41510	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	793.4339
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	2.5
60.08160	0.4
61.02926	4.7
61.47050	0.3
62.20454	0.3
67.05499	5.6
68.05852	0.4
68.77752	0.3
69.03426	2.8
69.07066	2.9
69.77080	0.8
69.77470	0.9
71.01340	0.4
71.04996	1.9
72.08157	0.4
73.02915	2.6
76.78401	0.4
79.05496	5.0
81.03421	4.7
81.07052	5.2
83.04991	1.2
83.08628	1.1
83.55849	0.4
85.02902	3.6
85.06552	0.6
86.09716	2.5
87.04470	0.7
91.03955	2.4
91.05482	5.3
93.07051	3.7
94.07378	0.4
95.04976	1.8
95.08599	2.6
97.02889	3.7
97.06527	1.4
97.10186	0.4
99.04466	0.8
101.02396	1.2
101.91526	0.4
103.03942	0.7
105.07037	4.0
107.04974	1.2
107.08601	2.2
109.02903	0.7
109.06542	1.1
109.10175	1.3
110.10540	0.5
111.08102	0.5
115.03918	0.6
115.05357	0.3
117.07034	0.7
119.08575	2.6
121.06495	0.4
121.10135	2.5
123.04453	0.5
123.08074	0.6
125.00031	1.6
127.03936	1.5
129.05502	0.6
129.07028	1.1
131.08563	2.6
131.09349	0.3
133.06485	0.5
133.10126	2.6
135.11681	1.0
137.09593	0.5
142.07855	0.4
145.10161	1.1
145.24921	0.3
147.11722	1.9
149.09599	2.2
151.11191	0.4
157.10188	1.4
159.11751	0.5
161.13268	0.5
163.03860	0.6
163.11240	0.5
165.12805	0.4
175.11224	0.6
179.14421	0.4
184.07352	6.9
184.08987	0.4
185.04225	0.7
185.07729	0.6
193.12280	1.9
197.15295	0.5
225.14842	0.4
243.08392	2.9
253.14381	1.1
261.10925	0.5
267.16046	1.0
275.20142	1.1
283.15189	2.4
301.09091	1.2
315.10739	0.5
315.19373	3.6
331.18948	0.6
339.17911	1.5
351.18253	0.6
371.22101	1.5
373.11267	0.4
385.18542	1.2
425.17752	0.5
429.17239	0.7
441.21933	0.6
451.19604	0.9
455.18991	0.5
467.18900	0.4
469.20432	0.8
501.23047	14.6
533.27209	9.3
539.21155	1.3
621.28339	0.4
623.30853	1.1
671.29547	0.4
689.41864	0.6
691.37457	0.5
695.33051	0.5
698.36005	0.4
747.39154	1.0
775.38391	0.6
793.43335	100.0
794.43604	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	793.399
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96569	1.4
57.03444	2.9
59.05020	0.7
61.02921	4.4
65.86783	0.6
67.05508	6.4
68.27943	0.5
69.03433	3.3
69.07070	3.2
70.06606	0.6
71.01334	0.8
71.05019	0.9
71.52670	0.6
73.02921	4.2
73.19491	0.6
79.05491	5.6
81.03423	4.3
81.07065	6.2
83.05001	1.6
83.08635	2.0
85.02895	5.2
85.06546	0.9
86.09723	1.5
91.03967	3.9
91.05482	5.1
93.07048	6.0
95.04971	2.2
95.08607	4.5
97.02888	6.2
97.06554	1.2
97.10185	1.2
99.04460	0.8
99.08150	0.7
101.02390	1.5
103.04007	0.8
105.07023	3.2
106.07399	0.7
107.04977	1.7
107.08588	4.1
109.02886	1.0
109.06518	1.0
109.10178	2.4
111.08086	0.9
115.03954	0.7
117.07007	1.2
119.08597	2.2
121.06535	0.9
121.10162	2.0
123.08128	0.7
124.99989	0.9
125.09644	0.8
127.03925	1.8
129.05519	1.3
131.08649	1.0
133.10150	1.8
135.11711	4.6
137.09686	0.8
145.10112	3.8
147.11699	0.6
149.09715	0.6
157.10205	1.2
159.11731	1.0
163.03979	1.8
163.11223	4.7
173.11804	0.8
175.11194	0.7
177.12727	0.6
181.04724	0.6
181.12260	1.4
183.97011	0.6
184.07373	3.1
185.04195	3.2
189.11330	0.6
193.12280	1.3
199.06197	0.7
201.03725	1.5
203.05276	0.5
211.13382	1.0
219.09866	0.7
223.13383	1.1
223.86079	0.5
227.12881	4.2
229.14377	0.7
243.08467	5.4
249.10983	15.5
249.13373	0.9
251.12593	1.2
263.12427	0.6
267.09131	0.8
275.12598	2.5
275.19843	0.6
283.08557	1.0
283.15417	0.8
285.17062	0.7
289.14218	1.9
291.19693	0.6
291.60403	0.7
301.08936	9.9
305.13666	2.2
307.19348	0.6
315.10458	3.1
339.28915	0.6
343.13696	0.6
347.14700	4.7
357.14969	1.0
365.16049	2.2
371.16934	2.7
373.11047	6.3
383.16718	1.3
385.18430	4.3
387.12753	1.6
393.15195	5.8
406.22440	0.6
413.17664	2.8
415.16306	0.9
429.17822	0.9
431.24316	1.6
439.19434	4.2
443.18811	4.7
457.20508	1.3
467.18872	19.3
467.25354	1.0
477.24823	1.7
481.20459	6.9
482.21445	0.7
526.20264	4.6
527.27820	0.7
530.98187	0.6
539.20929	7.5
545.26642	0.7
549.26813	1.1
553.22729	1.7
566.30103	0.8
567.24060	1.0
581.25861	1.0
593.92279	0.7
609.28888	1.1
610.29559	6.2
639.29773	4.1
665.31506	8.4
707.32513	33.7
708.33008	0.7
775.38654	4.3
776.39325	1.0
793.39752	100.0
794.40564	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	793.3826
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	1.7
59.04992	1.0
61.02921	4.0
67.05504	10.5
69.03429	2.9
69.07061	0.6
69.85157	0.3
70.06609	0.3
71.04974	0.9
71.23612	0.6
71.66433	0.3
73.02918	3.4
73.97251	0.3
79.05502	0.9
81.03424	1.6
81.07052	2.1
83.08599	1.2
85.02907	5.5
91.03944	3.7
91.05478	0.9
93.07029	1.1
95.08603	1.0
97.02888	3.6
99.04466	1.0
100.90279	0.3
101.02366	1.3
103.03895	0.3
105.07028	0.3
107.08591	0.7
108.70037	0.3
109.02882	1.1
109.10152	12.8
111.08057	0.6
115.03922	0.6
118.75951	0.3
119.08575	1.3
127.03906	1.8
135.11685	0.4
137.09593	0.9
145.04950	0.9
145.10156	0.3
155.10680	2.2
163.11279	0.6
171.35387	0.3
173.04549	0.3
173.11761	4.2
184.07402	0.4
185.04201	0.7
195.09940	2.3
200.82167	0.3
203.05319	0.5
229.14311	3.7
243.08308	2.7
251.12550	1.2
281.13705	0.5
373.18222	0.4
413.17804	36.2
414.18207	0.7
423.23615	0.9
499.21399	0.4
517.22595	0.6
585.28796	100.0
586.29163	2.8
643.32611	1.4
649.48090	0.3
671.32330	1.2
689.33508	28.3
690.33997	0.8
793.38367	6.7
793.89636	0.3
794.37994	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	793.3823
Annotation	Unknow
Peak:m/z	Relative Intensity
56.49499	0.2
56.96537	0.3
57.03436	1.8
59.04996	0.6
60.08180	0.3
61.02932	4.1
67.05505	11.8
69.03432	2.5
69.07068	0.8
69.85448	0.7
69.85836	0.6
71.04997	0.8
73.02921	3.1
79.05495	1.1
81.03426	2.2
81.07050	2.2
83.04985	0.5
83.08605	1.0
85.02908	5.0
85.06532	0.3
85.75230	0.3
87.04472	0.5
91.03956	3.5
91.05474	1.5
93.07048	1.2
95.04949	0.6
95.08610	1.0
97.02892	3.6
97.06516	0.5
99.04462	1.0
101.02384	1.9
103.03932	0.5
105.07047	0.5
107.04972	0.5
107.08615	1.0
109.02885	0.8
109.10158	12.9
111.04453	0.4
111.08125	0.6
115.03918	0.4
117.06956	0.3
119.08599	1.1
121.06509	0.4
121.10139	0.6
125.00077	0.3
125.09626	0.5
126.17617	0.3
127.03938	1.6
129.05556	0.3
135.11740	0.4
136.06192	0.3
137.09644	1.0
143.06935	0.3
145.04961	0.6
145.10167	0.4
155.10667	2.3
159.06631	0.3
163.03859	0.3
165.85045	0.3
173.11737	5.6
183.06432	0.3
183.99086	0.3
184.07372	1.5
185.04239	0.3
195.09972	2.5
203.05287	0.5
229.14352	3.7
243.08394	2.5
251.12540	1.0
257.14063	0.4
289.90112	0.3
294.09372	0.3
301.08948	0.4
371.22598	0.3
391.19696	0.5
413.17838	34.2
414.17880	0.7
423.23679	1.0
499.21664	0.8
517.22412	0.5
546.61298	0.4
585.28809	100.0
586.29102	2.5
643.32690	1.7
650.44714	0.4
671.32379	1.2
689.33539	31.9
690.33752	1.4
793.38403	11.3
794.38019	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	793.3607
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	0.7
56.96560	1.5
61.02927	1.0
67.05498	1.8
69.03438	0.9
69.07058	0.9
70.06573	0.5
70.46395	1.4
73.02935	0.6
75.62946	0.4
79.05515	0.7
81.03420	1.5
81.07049	1.5
83.08593	0.5
85.02912	1.3
91.03969	0.4
91.05492	0.9
93.07065	1.2
95.08609	0.7
97.02897	1.2
97.10159	0.4
98.97580	0.6
105.07033	0.5
109.10178	0.9
112.99135	0.7
119.08598	0.6
121.06511	0.4
121.10120	0.6
131.00177	0.8
133.10156	0.9
137.05954	0.6
139.03851	0.4
143.00183	0.5
145.10103	0.5
149.01207	0.7
158.99756	0.5
163.03918	1.2
163.11249	0.6
171.03410	0.4
184.07391	1.4
239.09628	1.5
249.08034	0.7
257.10638	0.7
259.08521	0.6
267.09036	4.1
267.11618	0.5
269.10712	0.6
283.08685	2.3
285.10101	3.5
290.10535	0.6
293.05478	0.8
301.09625	1.1
309.10101	0.5
325.09723	0.8
386.39291	0.4
485.16861	2.1
501.16650	1.7
597.47046	0.5
611.30420	2.3
689.31427	100.0
690.31824	3.5
693.27686	1.9
747.34692	0.5
793.36310	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	793.3565
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05462	0.7
56.96497	1.0
57.03383	0.8
59.04923	1.7
61.02846	2.3
62.43114	0.4
67.05419	5.4
67.05811	0.6
69.03342	1.6
69.06990	0.6
70.06516	0.6
71.04925	0.9
73.02824	1.4
79.05429	0.9
81.03320	1.9
81.06974	1.7
83.04927	0.4
83.08527	1.2
83.85368	0.4
84.08070	0.5
85.02892	3.4
86.09614	0.5
91.03850	1.9
91.05396	1.1
93.06949	1.2
95.08518	1.2
97.02905	2.8
97.06481	0.8
98.20734	0.9
98.97500	0.5
99.04402	0.6
105.06937	0.8
107.04882	0.6
107.08507	0.8
109.10168	5.6
111.08032	0.4
112.07559	0.6
119.08481	1.0
121.10075	0.6
123.04329	0.5
125.09538	0.6
127.03791	1.3
131.06946	1.0
131.08466	0.4
135.04378	0.6
137.68069	0.4
139.03856	0.4
140.06987	0.8
140.07979	0.4
155.10565	0.9
163.03793	1.0
169.46942	0.4
171.10031	0.4
173.11775	2.0
195.09891	0.9
229.07396	0.5
229.14206	1.9
239.09444	0.8
243.08278	1.1
247.08389	0.5
251.12376	0.4
253.00854	0.4
257.10510	0.5
267.08975	2.2
267.15787	0.5
283.08438	0.9
285.09982	1.6
301.09399	1.0
413.17886	13.6
423.21341	0.6
439.19104	0.6
485.17450	0.6
501.16403	0.8
517.21112	0.5
585.28833	49.9
586.29193	1.3
611.30255	4.6
629.30774	0.6
689.31573	100.0
690.31824	3.9
693.28387	1.2
747.35327	0.6
793.36310	24.4
794.36090	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	792.5616
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	1.4
55.05515	14.8
57.03441	12.1
57.07087	2.5
61.02926	3.0
65.03938	2.6
65.24281	0.5
65.35296	0.4
67.05508	66.4
69.03434	1.4
69.07072	16.7
69.16560	5.0
69.34816	0.5
71.04996	2.3
71.08635	0.7
71.53439	0.4
73.02927	1.2
77.03951	0.6
79.05496	41.7
79.90316	0.5
81.03424	1.3
81.07059	63.1
83.04984	1.7
83.08619	7.5
85.02904	3.3
85.06551	1.8
91.03969	1.1
91.05483	24.8
93.07047	48.5
95.04948	2.4
95.08610	51.0
97.02907	2.1
97.06541	2.6
97.10159	3.6
98.21524	1.2
99.08123	1.2
103.05487	0.5
105.04530	1.1
105.07035	18.4
107.08601	27.2
109.06528	1.9
109.10162	21.9
111.08087	2.1
113.09682	0.6
117.07021	8.8
119.07714	0.6
119.07936	0.3
119.08588	15.9
121.10148	21.7
123.08073	1.2
123.11720	7.8
125.09631	0.9
128.06187	0.6
129.07024	1.5
131.08575	13.2
133.10141	13.2
135.11699	14.9
137.09628	1.1
137.13213	2.3
139.11154	0.7
143.08569	2.4
145.10117	9.2
147.11678	9.6
149.13263	8.8
151.14838	1.0
153.12732	0.5
155.08644	0.8
157.10123	1.5
159.11708	8.4
161.13257	8.3
163.14804	4.6
169.10182	0.5
171.11757	1.9
173.13289	9.2
175.14874	3.9
177.12851	0.7
177.16438	1.7
179.14253	0.5
184.07384	1.5
185.13275	2.8
187.14854	4.1
189.16408	1.3
199.14841	1.0
201.16397	1.1
203.17938	1.1
215.18022	1.0
217.15887	0.5
217.19524	0.5
231.21021	0.9
233.22571	0.7
241.19670	3.3
243.21069	6.0
243.53902	0.5
259.20584	8.6
261.22128	20.1
263.23767	1.3
277.21671	0.6
279.23108	0.7
285.22025	0.5
287.23706	1.1
299.23691	0.8
313.25415	0.6
315.23178	1.2
317.24826	3.5
333.24246	7.1
335.25812	100.0
336.26196	1.9
337.27411	11.4
369.31549	0.6
375.28983	0.6
451.35690	0.7
497.31088	0.7
503.36813	0.6
515.37360	1.0
521.43561	2.5
539.44757	1.1
543.40723	0.9
595.47278	14.8
613.48322	13.8
614.48401	0.9
792.52985	2.2
823.45343	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	792.4374
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	1.5
55.05509	3.2
56.96545	0.7
57.03442	2.8
57.07064	0.5
61.02932	3.4
67.05506	6.7
67.05846	0.8
68.05035	1.7
69.03429	3.4
69.05813	0.9
69.07082	2.4
70.06595	80.0
70.71557	1.4
71.01362	0.5
71.04993	4.6
71.06905	0.5
72.08168	0.8
73.02921	2.4
79.05496	7.8
80.05045	0.7
81.03419	15.2
81.07051	5.4
82.06593	1.5
83.04984	4.1
83.07359	0.8
83.08617	3.7
84.04549	0.4
84.08167	0.6
85.02916	4.9
85.06547	0.9
86.06069	2.0
86.09727	0.7
87.04478	1.1
89.03883	0.5
91.03976	2.1
91.05492	7.6
93.07047	6.6
94.07388	0.6
95.04959	5.5
95.08600	3.5
96.08129	2.1
97.02899	5.1
97.06518	2.8
97.10184	1.2
98.06062	1.4
98.09718	0.7
98.97588	0.8
99.04454	1.0
100.11265	2.0
101.02414	1.0
103.03931	0.6
104.07109	0.7
105.07030	5.0
107.04961	2.7
107.08595	3.5
108.08089	0.6
109.06527	1.6
109.10164	2.7
111.04442	3.5
111.08101	2.5
112.07672	0.6
115.05465	0.6
115.43848	0.5
115.63718	0.5
117.07031	1.2
119.04942	0.5
119.08578	3.7
120.08105	0.7
121.06525	1.5
121.10146	4.8
123.04449	0.8
123.08070	0.7
124.07615	2.0
125.05997	0.7
125.09634	0.8
127.03917	1.6
127.05524	0.5
129.07018	2.7
130.05014	0.7
131.08575	3.8
133.06398	1.0
133.10144	1.7
135.04477	0.7
135.08130	0.5
135.11697	3.0
136.06227	1.7
137.05998	1.0
139.08630	0.5
139.11182	0.6
140.07082	2.6
142.08638	7.6
145.02829	0.7
147.04477	0.7
147.08006	0.7
147.11725	2.2
149.09660	2.5
153.12794	1.8
157.10150	2.5
158.08163	0.5
159.11665	0.6
161.05936	0.8
163.02736	0.5
163.03865	2.4
163.07568	0.5
163.11212	4.0
164.04272	0.5
165.09152	0.6
165.12827	0.6
167.07082	2.1
168.07448	0.8
171.08138	0.5
173.05995	0.6
173.09665	1.0
175.11256	2.1
177.05516	1.1
181.05063	1.3
181.12280	2.2
182.15413	1.2
189.09221	0.7
191.07112	1.0
191.10718	1.8
193.12267	4.0
209.11896	0.7
209.16510	0.7
210.14964	1.7
226.17990	0.7
227.12915	2.7
236.16473	5.0
252.19708	0.7
253.14368	0.6
254.17540	8.9
259.09787	1.4
267.15863	6.3
278.17587	1.9
296.18582	9.2
303.05170	0.6
310.20059	1.2
314.19617	11.3
328.21307	2.9
341.11121	0.5
370.22290	6.2
382.11414	0.5
388.23288	11.5
398.14822	0.9
399.15863	0.7
400.16507	1.3
447.27853	0.5
450.92795	0.6
482.31522	0.7
500.45349	0.5
520.32709	5.8
527.29816	0.7
562.33783	4.6
580.34802	100.0
581.35376	3.8
612.35760	0.9
620.21796	0.7
630.37225	0.7
679.51392	0.8
688.38977	0.8
742.40070	73.1
743.28949	1.5
743.40570	2.8
759.77936	0.6
761.29547	0.7
774.42523	3.4
792.44092	7.2
792.58655	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	791.4184
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	1.3
55.05510	3.5
56.96558	1.4
57.03429	4.1
57.07074	1.9
61.02933	5.4
62.08935	0.9
67.05512	10.4
69.03423	4.0
69.07063	3.4
71.04977	1.1
71.08632	1.6
71.52695	1.4
73.02911	4.3
74.37312	1.1
79.05500	9.4
81.03426	8.4
81.07058	7.7
83.04996	2.3
83.08630	3.0
85.02912	7.8
86.09694	4.7
87.04384	1.0
87.09370	0.9
87.10010	1.1
91.03966	4.6
91.05470	7.2
93.07047	8.8
94.07368	1.3
95.04982	3.2
95.08601	4.5
97.02887	5.9
97.06536	2.0
97.10214	1.3
99.08099	1.9
101.02412	1.5
105.07037	5.5
107.04972	1.5
107.08609	4.1
109.02902	1.6
109.10156	3.3
111.35635	1.0
117.07076	2.1
119.08576	4.6
121.06495	2.1
121.10124	2.3
124.97823	1.0
125.00007	2.3
127.03947	2.0
129.05528	2.2
129.06990	1.8
129.32481	1.0
131.08582	2.2
133.10138	3.4
135.11693	3.9
136.12109	1.0
143.08598	1.2
145.05052	1.3
145.10202	1.8
147.11755	3.4
149.09602	1.0
161.13322	1.4
163.11182	1.5
171.11752	1.0
174.20244	0.9
179.14348	3.8
184.07364	14.5
185.04250	3.7
185.07709	1.9
201.03712	1.3
208.01523	1.0
223.13220	1.4
243.08351	5.7
247.13124	3.8
261.02994	1.0
267.09378	1.4
267.15875	5.0
268.16373	2.6
277.21716	1.9
287.16360	1.5
301.09021	8.5
313.27530	1.5
315.10492	2.9
345.16727	3.2
351.25345	1.0
352.25745	1.4
369.15253	1.0
371.17014	1.4
373.11096	4.4
385.18298	4.5
391.17096	1.1
413.18094	2.8
429.26270	1.9
439.19601	2.2
443.19049	1.6
461.15805	1.9
465.20993	15.7
481.20645	8.1
495.21988	5.4
524.22217	3.2
537.23010	5.0
543.36743	3.9
544.37091	12.2
551.24628	1.1
565.29657	4.3
579.31348	2.0
607.30566	1.9
608.31799	2.8
637.32239	5.2
663.33325	9.2
673.87994	1.1
705.22406	2.2
705.34528	34.1
773.40387	4.6
791.41895	100.0
792.42267	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	790.5587
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05037	0.8
57.07056	0.1
58.06626	0.5
59.07132	0.1
59.07406	0.2
60.08165	6.2
67.05493	0.1
70.06574	0.1
71.07375	3.9
71.08614	0.2
71.68324	0.1
80.44630	0.1
80.97438	0.1
81.07019	0.1
86.09706	30.3
87.10031	0.2
95.08636	0.1
98.98466	3.3
104.05684	0.1
104.10744	2.4
104.11430	0.2
125.00005	20.6
143.01048	0.1
166.02621	0.1
184.07339	100.0
185.07779	0.5
229.30493	0.1
244.04836	0.1
426.16019	0.1
480.01871	0.1
494.20752	0.1
496.33957	0.1
534.32379	0.1
570.55133	0.1
626.43915	0.1
676.44891	0.1
690.47052	2.2
691.47021	0.1
754.53009	0.2
772.54669	1.5
790.55859	4.5
791.56720	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	790.5588
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	0.2
56.05044	1.0
57.07071	0.2
58.06627	0.5
58.93481	0.1
59.07399	0.2
60.08168	6.9
61.59770	0.1
67.05498	0.2
67.77649	0.1
70.06595	0.1
71.06981	0.2
71.07376	4.0
72.07715	0.1
80.37856	0.1
81.07067	0.2
83.08644	0.3
86.09711	33.0
87.10031	0.6
91.05527	0.1
95.08639	0.1
97.10175	0.2
98.20699	0.2
98.98470	3.4
104.10757	2.9
105.11057	0.2
107.08612	0.2
109.10125	0.1
125.00012	21.5
126.00362	0.3
127.00390	0.2
143.01065	0.2
166.02705	0.3
184.07349	100.0
185.07706	2.9
186.07840	0.8
480.40265	0.1
496.33859	0.2
541.02228	0.1
711.48938	0.1
772.54797	7.6
773.55615	0.4
790.55878	7.0
791.55920	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	790.5886
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	3.3
57.07078	100.0
59.05005	22.8
60.08150	3.4
62.28047	1.0
67.05502	4.1
69.07069	3.7
71.07371	2.2
71.08635	69.9
73.06556	2.8
79.05489	3.4
81.03383	1.6
81.07045	3.6
83.08621	2.6
85.09663	2.3
85.10185	63.9
86.09708	15.9
87.04475	13.2
89.06036	80.0
90.34422	1.2
91.05486	1.7
93.07062	1.9
95.04977	1.4
95.08602	3.0
97.10173	2.6
98.20685	1.6
98.98450	2.2
99.11736	13.9
101.06067	1.2
101.09631	2.0
104.10760	1.6
105.07073	1.1
107.07079	2.1
107.08611	2.4
109.10207	1.8
111.11713	1.3
113.06041	1.1
113.13281	4.0
117.09146	6.4
122.07954	1.0
125.00002	10.0
130.08672	1.7
131.07074	4.3
131.08583	1.5
133.08607	66.4
155.17961	9.2
161.11748	1.2
175.09703	4.5
177.11230	31.4
184.07350	63.9
185.07706	2.9
205.68192	1.2
213.22128	17.1
219.12273	2.0
221.13826	5.5
254.24741	1.5
265.16507	3.5
271.26321	7.9
275.20221	1.2
283.17557	2.4
327.20175	2.0
336.25970	1.7
485.29239	1.4
503.30530	10.2
543.33691	1.8
554.63306	1.1
561.34497	1.7
610.46002	1.6
690.46210	1.3
723.26587	1.2
790.59058	9.7
791.44928	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	790.559
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05493	0.2
56.05034	0.8
58.06625	0.4
59.07407	0.1
60.08165	7.0
61.75398	0.1
67.05526	0.2
69.07054	0.1
70.06572	0.1
70.27249	0.1
71.07377	3.3
74.22170	0.1
76.65902	0.1
79.05503	0.2
81.07060	0.4
83.08594	0.2
86.09708	31.7
87.10023	0.2
91.05489	0.1
93.07025	0.1
94.97783	0.1
95.08618	0.1
96.95395	0.1
98.98461	3.2
104.10748	3.3
107.08575	0.2
121.98879	0.1
125.00007	20.2
139.89961	0.1
143.01010	0.2
166.02589	0.1
184.07343	100.0
185.07719	0.8
186.07803	0.1
200.78082	0.1
211.77405	0.1
215.57509	0.1
266.27454	0.1
372.66180	0.1
377.08194	0.1
414.38956	0.1
496.33838	0.3
610.44604	0.2
772.54926	5.3
773.54535	0.2
790.41479	0.2
790.55792	3.1
812.80542	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	790.5586
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05033	0.8
57.03435	0.1
58.06306	0.1
58.06627	0.4
58.51832	0.1
59.07376	0.1
60.08163	5.5
62.00116	0.1
67.05484	0.2
69.07059	0.1
70.06591	0.2
71.07375	3.4
71.08607	0.2
71.78764	0.1
73.37535	0.1
79.05486	0.2
80.97428	0.1
81.07047	0.2
86.09705	27.7
87.10020	0.1
95.08579	0.1
96.30882	0.1
98.21510	0.3
98.98466	3.0
104.10742	3.5
125.00003	18.9
133.49556	0.1
143.01042	0.1
155.73300	0.1
162.45251	0.1
166.02678	0.1
175.43584	0.1
184.07336	100.0
185.07655	0.6
208.36441	0.1
402.34555	0.1
440.91983	0.1
496.33810	0.2
534.32190	0.1
573.50916	0.1
610.45667	0.2
768.14960	0.1
772.54803	4.6
773.54974	0.2
790.55878	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	790.5587
Annotation	Unknow
Peak:m/z	Relative Intensity
55.58310	0.1
56.05035	0.9
57.34017	0.1
58.06617	0.6
59.07371	0.1
60.08165	6.4
65.03954	0.1
67.05497	0.4
69.07043	0.1
69.25576	0.9
69.25979	0.2
71.07378	4.0
74.21338	0.1
79.04181	0.1
79.05491	0.3
81.07069	0.4
81.94988	0.1
86.09707	31.2
87.10026	0.7
91.05531	0.1
93.07047	0.3
95.08592	0.3
98.98464	3.2
104.10746	3.2
105.07001	0.2
109.10190	0.2
119.08653	0.1
125.00008	21.8
126.00362	0.2
127.00513	0.1
129.34111	0.1
143.01099	0.2
146.60521	0.1
159.80458	0.1
166.02708	0.2
184.07343	100.0
185.07695	2.5
186.07732	0.9
445.04321	0.1
496.34274	0.2
549.85608	0.1
566.07410	0.1
690.47302	0.4
701.78558	0.1
718.38861	0.1
772.54730	3.3
790.55804	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	790.5587
Annotation	Unknow
Peak:m/z	Relative Intensity
55.58310	0.1
56.05035	0.9
57.34017	0.1
58.06617	0.6
59.07371	0.1
60.08165	6.4
65.03954	0.1
67.05497	0.4
69.07043	0.1
69.25576	0.9
69.25979	0.2
71.07378	4.0
74.21338	0.1
79.04181	0.1
79.05491	0.3
81.07069	0.4
81.94988	0.1
86.09707	31.2
87.10026	0.7
91.05531	0.1
93.07047	0.3
95.08592	0.3
98.98464	3.2
104.10746	3.2
105.07001	0.2
109.10190	0.2
119.08653	0.1
125.00008	21.8
126.00362	0.2
127.00513	0.1
129.34111	0.1
143.01099	0.2
146.60521	0.1
159.80458	0.1
166.02708	0.2
184.07343	100.0
185.07695	2.5
186.07732	0.9
445.04321	0.1
496.34274	0.2
549.85608	0.1
566.07410	0.1
690.47302	0.4
701.78558	0.1
718.38861	0.1
772.54730	3.3
790.55804	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	790.4943
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	4.2
55.05272	1.7
55.05512	22.7
56.96543	1.1
57.03440	11.7
57.07066	1.8
59.04987	2.0
61.02920	2.6
65.03928	3.0
67.05504	50.1
69.03422	4.8
69.07070	15.2
71.01334	1.1
71.04988	7.8
73.02934	1.7
74.98206	1.0
79.05495	47.1
81.02928	1.6
81.03417	41.5
81.07056	45.8
83.04986	7.2
83.08616	18.8
85.02892	3.8
85.06554	4.9
86.09705	5.2
87.04477	1.4
91.05480	41.4
93.07049	46.9
95.04971	18.2
95.08607	29.3
97.02896	4.7
97.06549	5.9
97.09740	0.9
97.10176	10.1
98.21504	3.5
99.08092	3.5
103.05441	1.6
105.04551	1.5
105.07032	45.1
107.04951	6.2
107.08591	29.3
109.06490	5.3
109.10152	16.4
111.04403	2.8
111.08096	5.2
115.05443	2.2
117.07024	16.1
119.08580	34.5
121.06476	3.7
121.10141	24.1
123.02776	0.9
123.04457	1.2
123.08083	5.2
123.11716	3.2
124.99986	4.7
125.09612	8.6
127.03917	1.3
128.06203	2.6
129.05508	1.5
129.07004	15.1
130.07733	1.2
131.08565	27.8
133.06459	3.3
133.10135	23.8
135.08080	5.6
135.11713	10.3
137.09619	3.1
137.13200	1.0
138.70699	1.3
141.06992	2.8
142.07794	3.7
143.08551	10.4
145.06483	2.9
145.10120	20.4
147.08028	3.5
147.11678	20.2
149.09634	6.2
149.13263	3.1
150.48476	1.0
151.11162	1.5
155.08528	6.3
156.56401	1.1
157.10129	15.1
159.08052	1.4
159.11681	14.4
161.09653	1.7
161.13289	8.5
163.11188	5.1
167.08598	2.1
169.10164	8.5
171.11707	11.2
173.09578	1.4
173.11815	2.4
173.13261	8.5
175.11165	5.9
175.14764	2.7
177.12767	2.2
179.14287	1.7
181.10136	4.2
182.11024	1.0
183.11699	7.5
184.07362	19.2
185.09669	1.7
185.13246	8.6
187.11147	1.9
187.14835	3.2
189.11208	4.3
189.12740	1.7
193.10408	1.9
193.12234	6.5
195.11722	4.9
197.13280	5.6
199.11200	2.1
199.13242	1.3
199.14812	5.1
201.16365	1.4
203.14276	1.8
207.11827	2.5
209.09492	1.0
209.13286	3.7
211.14864	2.5
213.12746	2.2
213.16389	1.6
215.17918	1.1
217.15909	2.2
219.11667	1.2
221.13257	1.9
223.14925	2.4
227.12743	9.9
229.14279	3.0
233.13242	1.2
233.15358	1.8
239.17845	1.1
241.19508	3.4
257.19046	1.3
259.20547	13.5
267.15878	18.9
269.17383	1.9
273.18665	1.7
275.20087	2.6
281.22626	1.3
283.15491	1.6
283.20407	1.4
287.19910	1.3
293.21295	1.2
297.21991	1.9
299.23734	6.0
301.21790	1.2
309.22125	1.1
311.20026	1.3
312.87177	1.2
313.21710	1.2
321.22153	1.5
329.20688	1.1
333.24295	8.2
339.23425	1.2
343.22852	1.6
349.23761	2.5
353.24930	1.1
385.23587	1.1
415.30115	3.8
417.26593	1.4
421.25623	8.1
423.27548	1.4
433.31277	9.5
435.27441	6.4
443.28009	1.2
447.27078	2.2
451.32120	10.3
461.28986	2.4
469.33310	5.1
499.34412	1.9
507.34576	4.1
517.34937	3.6
525.35754	51.8
526.35907	2.4
543.36829	100.0
544.36963	3.7
557.38647	10.1
575.39532	17.5
585.37878	1.3
633.37939	1.8
651.38849	2.4
669.39520	1.9
687.40503	2.5
700.93909	1.1
737.43896	1.6
790.40192	6.0
790.54974	1.2
791.36151	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	790.4937
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	3.9
55.02519	1.3
55.05510	30.4
57.03439	19.1
57.07076	7.3
59.05001	40.3
60.19155	1.2
61.02916	2.7
63.19919	1.4
65.03934	3.1
67.05506	100.0
69.03423	5.3
69.06796	1.4
69.07076	14.6
71.04991	10.9
71.07357	1.7
71.08629	5.5
71.38959	2.9
73.02916	4.8
75.82442	1.2
76.01330	1.2
77.79922	1.2
79.05491	41.1
81.03419	10.2
81.06586	3.0
81.07056	55.2
83.04968	4.8
83.08606	14.5
85.02910	7.6
85.06543	5.1
85.10177	5.2
86.09721	7.7
87.04471	57.1
89.06038	9.0
91.03940	1.6
91.05484	25.9
93.07039	38.0
95.04975	4.9
95.08609	40.1
97.02859	4.4
97.06528	4.5
97.10164	13.3
99.04456	13.4
101.06046	1.5
105.07037	14.8
107.04956	2.0
107.08596	24.7
109.06482	2.4
109.10155	52.9
111.04440	1.7
111.08102	3.8
117.05488	1.8
117.07008	6.4
119.08580	16.0
121.06504	1.6
121.10143	18.7
123.08099	2.6
123.11718	3.6
125.00004	4.5
125.09643	15.5
127.03905	2.6
131.08572	9.7
133.08607	5.3
133.10130	10.4
135.11702	12.7
136.29208	1.3
137.09615	4.9
145.10115	8.3
147.08018	2.1
147.11702	8.7
149.09654	2.6
149.13231	6.4
149.95271	1.4
153.12776	2.6
155.10614	2.8
157.10022	2.3
159.11732	6.8
161.13258	4.8
163.11166	2.9
163.14839	3.4
171.11687	2.7
173.04425	1.4
173.11722	18.6
173.13234	3.8
175.14836	2.6
177.11249	2.0
180.00739	1.4
181.12248	2.1
183.11687	1.4
184.07367	22.3
185.13239	1.5
187.14856	1.5
193.12245	2.4
199.13329	7.0
199.14919	1.6
201.16428	1.4
209.11694	1.8
217.14404	1.8
223.13330	2.1
227.12764	6.7
229.14366	42.9
241.14383	4.6
243.21140	2.8
257.13943	2.8
259.20532	2.9
261.22110	17.4
267.15805	7.0
277.21661	2.2
283.15286	2.2
289.21979	1.5
294.02957	1.4
299.23944	1.5
307.85165	1.3
315.18155	6.5
318.57925	1.4
333.19040	1.8
333.24347	2.4
333.28101	1.8
334.24408	1.3
335.25803	58.1
363.25354	3.0
441.45987	1.5
451.32294	1.7
477.35727	16.3
489.35754	55.3
489.42865	3.0
531.40350	3.4
543.36505	2.5
575.39069	3.1
613.47998	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	790.4945
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	3.0
55.05275	1.6
55.05517	25.8
57.03191	1.2
57.03443	13.5
57.07080	4.7
59.05004	30.3
60.08170	5.7
61.02914	2.8
65.03931	3.6
67.05508	72.6
68.46714	1.0
69.03424	4.1
69.07069	13.0
69.19218	10.2
71.05005	9.8
71.07366	3.5
71.08619	2.9
73.02911	1.2
79.05496	36.9
81.03426	5.8
81.07061	46.2
83.05000	4.5
83.08617	12.4
85.02892	4.2
85.06535	3.4
85.10196	2.3
86.09711	28.6
87.04474	42.6
89.06012	2.4
91.03942	1.3
91.05485	19.3
93.06480	1.8
93.07050	29.6
95.04966	3.1
95.08607	25.9
97.02887	3.0
97.06525	3.4
97.10178	14.5
98.98469	1.9
99.04462	14.2
101.06013	1.2
104.10718	3.2
105.07030	11.9
107.04957	1.5
107.08601	20.5
109.06548	1.7
109.10162	42.2
111.04434	2.2
111.08070	2.9
117.07030	5.2
119.08594	11.4
121.06496	1.7
121.10154	11.0
123.08025	1.4
123.11706	3.2
125.00000	20.5
125.09639	11.4
129.06953	1.5
131.08571	6.5
133.08604	1.1
133.10159	7.7
135.11685	8.2
137.09631	2.4
137.13251	1.3
142.36932	1.0
143.10683	1.4
145.10165	6.1
147.11674	4.1
149.09645	2.7
149.13243	4.5
155.10643	2.8
157.10196	1.3
159.11705	4.6
161.13257	3.7
163.11194	4.4
163.14790	1.7
171.11703	1.5
173.11736	10.5
173.13258	3.8
175.11156	1.0
181.12262	1.2
183.11649	1.2
184.07350	100.0
187.14822	2.4
189.11188	1.3
191.10646	2.4
193.12230	1.4
197.13179	1.1
199.13277	8.4
201.16335	1.2
209.11667	1.3
217.14359	1.4
223.13318	1.2
227.12755	3.9
229.14340	29.7
233.22862	1.3
241.14308	2.7
243.21021	1.7
243.23221	1.4
257.13879	1.4
259.20587	1.7
261.22128	10.3
267.15921	5.3
289.21512	1.2
315.18085	7.9
317.24680	1.5
327.22989	1.0
335.25806	47.9
363.25354	3.4
459.34756	1.6
477.35736	16.3
489.35776	33.5
543.36823	4.3
561.37903	1.6
575.39246	2.6
593.40607	3.4
655.69873	1.1
690.47076	2.3
772.54999	1.1
790.56525	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	790.4938
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	2.1
55.05515	24.8
56.05031	0.9
57.00289	0.8
57.03442	11.9
57.07076	4.7
59.05004	14.7
60.08170	5.9
61.02925	2.1
61.80786	0.8
63.50873	0.7
64.43980	0.9
65.03940	1.4
67.05508	54.4
67.49138	0.8
69.03419	3.1
69.07072	10.4
69.74711	1.6
69.75128	4.3
70.30830	1.1
71.01408	0.8
71.04995	8.1
71.07375	3.7
71.08624	3.4
73.02907	0.9
79.05494	26.7
80.05788	0.8
81.03420	5.5
81.07063	35.6
83.04978	3.0
83.08621	10.9
85.02903	4.6
85.06544	3.1
85.10173	2.5
86.09708	30.5
87.04475	19.3
89.06039	3.5
91.03947	1.2
91.05488	15.2
93.07050	26.5
95.04996	4.3
95.08610	22.4
97.02895	3.2
97.06531	3.0
97.10184	10.8
98.98444	1.7
99.04480	10.8
104.10731	3.2
105.07052	10.2
107.04977	2.1
107.08594	16.0
109.06503	1.6
109.10162	24.8
111.04436	2.0
111.08094	2.2
117.06995	5.1
119.08583	8.7
121.10153	10.4
123.08090	1.0
123.11708	2.7
125.00007	20.0
125.09651	9.0
129.07018	1.3
131.08565	7.5
133.08597	1.6
133.10172	6.0
135.08031	1.2
135.11687	7.1
137.09621	2.1
143.08580	1.5
143.10684	1.8
145.10123	4.9
147.11691	3.5
149.13277	3.0
151.11227	1.0
157.10168	1.7
159.08113	1.0
159.11673	4.0
161.13216	2.0
163.11217	3.2
171.11650	1.1
173.04414	0.9
173.09746	0.9
173.10321	0.9
173.11731	6.9
173.13242	2.9
173.46341	0.8
175.14810	1.0
177.11334	1.1
177.12764	1.4
181.12245	1.3
184.07347	100.0
185.07520	1.0
187.14868	2.5
191.10652	1.2
193.12247	1.3
199.13281	5.8
199.14767	0.8
209.11755	0.9
217.14314	1.8
227.12729	4.3
229.12172	0.9
229.14351	16.4
241.14334	2.8
243.21004	1.6
257.13892	0.9
259.20499	1.2
261.22113	5.9
267.15897	3.6
306.42349	1.0
315.17944	7.2
317.24835	2.0
327.23264	1.0
335.25818	34.1
336.26288	1.3
363.25287	2.4
459.34848	1.2
477.35754	15.1
489.35724	17.1
543.36823	1.7
575.39301	2.7
593.40540	2.4
690.46521	2.1
772.54956	1.9
790.55884	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	790.4578
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	16.3
55.05512	44.6
55.05783	2.2
57.03437	24.8
57.07066	4.5
59.04982	2.0
60.08165	2.2
61.02913	5.4
65.03926	4.4
67.05504	100.0
68.55469	1.4
69.03422	15.6
69.07065	36.7
70.06580	1.6
71.01352	3.6
71.04992	10.6
71.47357	1.5
73.02921	7.4
74.94807	1.5
77.03926	1.8
79.05491	79.0
80.78073	1.3
81.02937	2.6
81.03418	71.5
81.07056	90.8
83.04980	25.6
83.08617	31.0
85.02910	17.7
85.06527	6.0
86.09707	8.0
91.03939	3.5
91.05481	78.8
93.07043	72.0
95.04963	36.1
95.08599	44.1
95.09174	3.1
97.02883	15.0
97.06533	24.8
97.10162	20.0
98.07328	1.6
99.04444	2.9
99.08092	6.6
103.05438	3.8
105.04497	2.4
105.07028	52.0
107.04946	23.1
107.08591	47.9
109.02870	6.4
109.06524	14.3
109.10155	31.4
111.04446	5.5
111.08076	11.8
113.06040	1.8
115.05460	3.4
116.04710	3.8
117.07021	21.5
119.08578	40.0
121.06504	10.5
121.10148	23.2
123.04477	3.7
123.08078	8.8
123.11702	6.5
124.99982	4.4
125.05981	2.3
125.09596	16.0
127.03885	4.6
128.06245	2.8
129.05518	8.5
129.06992	17.7
130.07767	2.5
131.08574	26.3
133.06480	6.6
133.10127	40.1
135.08055	9.6
135.11688	24.1
137.09641	9.4
141.06949	2.6
142.07745	3.6
143.08565	7.4
145.06458	2.4
145.10135	24.8
147.07997	7.3
147.11679	20.2
149.09630	17.5
149.13248	8.8
151.07487	2.3
151.11156	6.3
153.12759	10.4
155.08612	4.4
157.08846	2.9
157.10078	13.2
159.08035	2.7
159.11674	11.4
161.09590	4.9
161.13254	6.0
163.03928	5.5
163.11192	26.5
165.09137	1.6
165.12796	3.0
169.10112	3.1
171.11693	6.1
173.04422	4.3
173.09564	3.0
173.11771	4.8
173.13278	5.5
174.46675	1.7
175.11189	12.1
177.12784	3.9
179.14348	2.5
181.10178	2.2
181.12206	10.1
183.11710	5.5
184.07335	23.8
185.13269	2.6
187.11188	2.9
189.11211	8.1
189.12709	2.0
189.16216	1.7
191.10687	6.2
193.12218	27.7
195.11815	1.8
195.13800	6.3
199.11449	1.9
199.13199	7.6
207.13608	1.7
209.11671	7.3
211.13272	21.9
213.16391	2.2
219.13835	2.7
223.13304	2.8
227.12785	23.9
229.14330	8.1
233.15373	2.5
243.16017	2.0
249.14716	2.1
253.14368	15.0
255.15858	13.0
257.18979	5.7
259.20483	5.1
265.14291	3.8
267.15921	34.6
269.17508	18.6
273.18436	6.7
275.20053	20.2
283.15359	15.6
285.16931	17.0
287.20062	1.6
291.19458	8.6
299.14890	6.9
301.16531	18.8
323.18307	2.0
331.22693	2.3
333.24313	3.7
347.22055	2.2
348.59885	1.7
349.23624	16.7
365.23096	7.9
367.24213	3.0
409.25940	3.0
411.27219	2.2
421.25784	3.0
423.27274	6.9
435.27219	2.1
439.27054	3.1
445.25790	4.7
447.27411	9.0
453.28329	2.4
460.27933	1.9
463.27097	4.4
465.28543	3.4
477.28439	11.5
481.27985	4.6
495.29456	19.7
496.50684	1.7
503.33221	1.8
539.33740	2.5
541.35193	7.4
557.34747	18.1
559.36066	5.5
574.32904	1.6
575.35785	15.2
593.36292	4.3
723.32458	2.0
746.33990	1.8
791.40833	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	788.5429
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	0.1
56.05033	0.6
57.07060	0.1
58.06623	0.5
59.07377	0.2
60.08162	6.9
67.05506	0.1
70.06587	0.1
70.92061	0.2
70.92393	0.1
71.06983	0.2
71.07371	3.8
71.08614	0.1
71.95070	0.1
86.09703	32.7
87.10025	0.3
98.98457	3.3
104.10739	3.3
125.00002	22.2
126.00337	0.1
147.81288	0.1
148.48120	0.1
166.02643	0.2
184.07335	100.0
185.07698	0.6
186.07826	0.2
210.77882	0.1
285.59097	0.1
293.21231	0.1
335.40140	0.1
381.09836	0.1
442.93439	0.1
494.55249	0.1
496.34012	0.2
754.53064	0.1
770.53766	0.5
788.54315	9.5
789.54034	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	790.4587
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01633	2.2
55.01876	23.9
55.05515	51.2
56.96552	1.5
57.03438	27.2
57.07058	4.1
59.04985	2.7
61.02919	6.1
65.03940	5.1
67.05508	100.0
69.03421	15.2
69.07070	48.1
71.01347	4.6
71.04987	8.1
71.08617	1.8
73.02904	5.4
77.03883	1.7
79.05498	90.3
80.06274	2.2
80.57332	1.3
81.03424	56.0
81.07060	92.3
82.04179	1.7
83.04985	28.3
83.08158	1.7
83.08626	28.9
83.09115	2.2
85.02438	1.6
85.02912	19.6
85.06562	7.0
86.09691	4.3
87.73330	1.3
88.52563	1.2
91.05486	82.8
93.07050	72.2
93.07584	1.2
95.01347	1.4
95.04976	32.1
95.08608	48.0
97.02892	14.1
97.06535	25.3
97.10167	24.5
98.07320	3.4
99.04461	3.3
99.08084	5.8
103.05473	4.0
105.04517	3.5
105.07039	59.5
107.04294	2.4
107.04961	25.0
107.08601	49.9
108.70027	1.5
109.02886	3.7
109.06513	9.3
109.09473	2.4
109.10162	34.6
111.04424	4.8
111.08096	14.2
112.09657	1.6
113.09635	2.2
115.05450	4.5
116.04709	6.1
116.06187	1.3
117.07024	24.1
119.08585	44.4
121.06520	11.0
121.10158	24.6
123.04395	2.6
123.08059	12.0
123.11697	6.4
124.99996	1.9
125.09640	24.5
127.03928	6.3
127.07519	2.4
128.06238	2.4
129.05507	17.0
129.06990	17.7
130.07768	3.1
131.08575	28.7
133.06483	6.8
133.10135	43.8
135.08075	8.5
135.11711	21.9
137.09627	10.3
139.07600	2.6
139.11153	1.9
141.07018	3.9
142.07721	3.5
143.07059	4.4
143.08504	7.4
143.10565	1.5
145.10132	25.4
147.08092	6.8
147.11705	23.5
149.09637	22.2
149.13232	6.3
151.11192	6.5
153.09116	2.1
153.12724	7.2
155.08586	4.3
157.08633	5.7
157.10129	16.2
159.11703	16.8
161.09627	4.3
161.13284	7.7
163.11191	25.8
165.12730	4.2
169.10150	4.0
171.06520	2.3
171.07936	1.6
171.10168	5.3
171.11702	5.9
173.04448	2.4
173.09628	3.9
173.11728	8.2
173.13261	6.0
175.11177	10.5
175.14882	2.5
177.12726	5.3
179.10696	2.1
179.14331	4.5
181.10309	1.5
181.12234	7.7
183.11745	2.4
184.07323	10.9
185.11661	2.0
185.13205	2.9
187.11124	1.8
187.14891	1.8
189.11247	11.0
191.10701	4.3
193.12268	23.4
195.13809	4.1
197.13255	2.6
199.11449	1.6
199.13286	5.9
199.14926	1.7
201.12753	1.6
205.12241	1.8
209.11725	7.0
211.13295	24.4
223.13428	1.8
225.11333	2.0
227.12790	23.9
227.18018	1.6
229.14287	9.3
229.19464	2.1
239.17973	2.8
241.19536	1.9
243.15800	1.6
247.20503	2.5
253.14351	10.6
255.16020	5.8
257.19028	7.2
259.20624	7.6
263.19876	1.4
265.14340	4.3
267.15930	24.3
269.17480	12.6
273.18576	7.4
274.19290	1.5
275.20081	36.2
283.15390	11.0
284.15759	2.1
285.16962	18.8
291.19528	5.0
293.20975	3.3
299.14844	7.1
301.16489	37.9
331.22742	3.4
333.24271	6.0
349.23782	28.9
356.68283	1.6
365.23340	5.1
367.24631	2.3
393.26376	1.8
409.25775	2.2
421.25992	2.4
423.27173	3.7
439.26971	6.7
447.27798	2.0
461.28839	2.5
463.26257	2.8
471.26178	2.8
477.28598	7.8
479.30066	3.5
481.27811	6.1
495.29532	15.0
539.33600	3.2
541.35065	6.1
557.34723	14.4
559.36328	13.4
575.35858	22.0
593.37231	6.7
791.39630	2.4
815.97192	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	788.5435
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05033	0.8
57.07080	0.2
58.06620	0.5
60.08164	6.6
67.05506	0.1
69.49641	0.2
69.50056	0.5
71.07373	3.9
71.08607	0.2
79.05503	0.2
81.07041	0.2
86.09706	30.9
87.10029	0.2
91.05486	0.2
91.54025	0.1
93.07004	0.1
95.08587	0.2
98.21509	0.2
98.98464	3.1
104.10742	2.8
109.10213	0.1
125.00005	21.3
138.40903	0.1
143.01019	0.2
166.02769	0.1
184.07339	100.0
185.07678	0.6
247.47290	0.1
439.29858	0.1
449.29892	0.1
496.34229	0.2
515.33466	0.1
585.19751	0.1
770.53259	0.3
788.54315	11.2
789.54346	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	788.5431
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05033	0.7
57.07080	0.5
58.06627	0.5
59.05012	0.1
60.08164	5.9
63.70106	0.1
69.07087	0.1
70.06599	0.2
71.07375	3.2
71.08614	0.2
71.16729	0.2
81.07041	0.2
85.10173	0.3
86.09706	29.9
87.10062	0.1
95.08620	0.1
98.98466	3.1
104.10742	2.9
106.06846	0.1
110.30602	0.1
125.00005	19.7
132.65814	0.1
143.01108	0.2
150.40453	0.1
166.02675	0.2
184.07339	100.0
185.07710	0.6
191.27924	0.1
245.24359	0.1
423.10873	0.1
496.34250	0.2
532.30817	0.1
676.45752	0.3
690.47186	1.1
752.52454	0.2
770.53406	1.1
788.54291	4.9
789.54791	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	788.4781
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	7.7
55.05511	11.4
57.03435	8.0
57.07080	0.8
59.05007	1.3
61.02917	1.1
65.03944	1.8
67.05507	26.5
69.03435	3.1
69.07067	15.4
69.46772	0.6
70.63650	1.1
70.64019	1.0
71.01337	0.8
71.04983	3.0
71.08634	0.5
73.02905	1.7
77.03922	0.6
79.05495	23.5
81.03419	42.2
81.07059	34.0
81.07446	0.3
82.03701	0.7
83.04983	7.2
83.08156	0.8
83.08621	11.2
85.02917	2.4
85.06539	2.1
86.09727	3.2
91.05482	32.9
93.07044	22.5
95.01346	3.3
95.04973	13.6
95.08611	14.4
97.02895	3.5
97.06532	11.3
97.10162	3.6
99.04495	0.8
99.08079	1.0
103.05469	1.2
104.59377	0.7
105.07032	36.4
107.04958	10.9
107.08597	12.1
109.02859	1.0
109.06538	3.5
109.10150	11.6
110.53498	0.5
111.04457	1.0
111.08074	5.2
113.06012	0.7
113.09624	0.6
115.05465	1.5
116.04707	1.0
117.07012	7.4
119.08579	19.9
121.06515	3.0
121.10149	7.6
123.04451	1.1
123.08070	3.4
123.11712	2.0
125.00027	1.9
125.09650	2.6
127.03939	1.0
128.06265	1.6
129.05502	1.5
129.06996	5.4
129.90579	0.7
131.08563	13.6
133.06509	1.8
133.09116	1.3
133.10126	25.0
135.08070	3.6
135.11697	4.9
137.09642	2.0
139.07584	0.6
141.06993	1.8
142.07814	1.8
143.08571	2.6
145.06496	1.3
145.10109	7.9
146.07277	0.6
147.08067	2.4
147.11694	11.2
149.09639	7.1
149.13254	1.8
151.07549	0.8
151.11165	5.3
153.12677	0.9
155.08537	1.1
157.08739	0.9
157.10121	6.6
159.11684	6.2
161.09619	1.7
161.13240	2.9
163.11206	4.1
165.09116	1.0
165.12811	1.2
169.10175	1.3
169.12299	0.6
171.11763	1.8
173.09607	0.7
173.11894	0.8
173.13306	1.9
175.11201	5.0
177.12761	1.2
179.14314	6.2
183.11711	1.0
184.07352	10.5
185.13197	0.9
187.11176	1.5
189.12740	0.8
191.10715	0.8
193.12247	8.3
195.13763	0.6
197.13220	0.9
205.12306	0.8
209.11761	0.8
211.13274	1.4
219.17416	0.9
227.12833	1.2
229.14558	1.3
249.14876	0.7
253.14345	9.9
257.19049	1.8
259.20569	0.8
267.15921	49.6
268.16327	1.0
273.18466	3.0
275.20059	20.2
283.15390	1.1
291.19632	2.9
293.21127	1.0
301.16541	5.4
309.17099	0.6
333.24420	0.7
347.22324	0.6
349.17099	0.7
349.23740	15.1
365.23233	2.9
461.28958	1.1
497.27411	2.3
541.35254	100.0
542.35675	3.2
559.36346	2.0
562.39655	0.7
583.35956	0.9
591.35309	3.9
608.43555	0.9
611.46625	1.2
626.45496	0.6
743.36145	0.9
789.40210	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	788.4427
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	10.6
55.05513	32.2
57.03441	14.6
57.07077	1.7
59.04996	4.7
61.02917	3.4
65.03922	2.4
67.05508	59.9
69.03432	9.3
69.07076	26.3
71.01369	2.1
71.04989	6.3
73.02901	3.1
77.03926	1.6
79.05495	45.6
81.03429	20.7
81.06586	3.5
81.07063	65.7
82.07366	2.0
83.04986	15.3
83.08624	27.5
85.02901	9.5
85.06536	4.4
85.96644	1.4
86.09713	2.5
91.03918	1.7
91.05483	54.8
93.07049	55.0
95.04978	17.3
95.08607	27.6
97.02894	10.0
97.06532	19.0
97.10162	13.7
98.20690	2.8
99.00832	18.4
99.04457	3.4
99.08131	1.8
101.02401	2.5
103.03883	1.5
105.07035	45.5
107.04972	19.8
107.08600	40.9
109.02877	15.6
109.06488	8.2
109.10169	19.4
111.04418	4.4
111.08084	7.3
113.06033	3.0
115.05441	2.5
117.07024	15.4
119.08595	27.1
121.06494	13.7
121.10146	12.6
123.04403	2.8
123.08060	5.4
123.11678	4.1
125.00044	3.1
125.09619	12.3
127.03934	4.4
128.06247	4.3
129.06975	8.3
131.04898	1.7
131.08582	19.8
133.06476	3.9
133.10141	54.1
135.08049	7.1
135.11732	13.8
137.05992	2.4
137.09599	2.8
139.07564	2.6
143.08551	7.0
145.06427	2.1
145.10120	19.8
147.08029	4.3
147.11725	9.3
149.09651	12.2
149.13251	6.7
151.11169	15.4
155.08556	2.3
157.10117	5.6
159.08066	2.3
159.11719	10.8
161.09636	22.2
161.13292	3.9
163.11179	9.7
165.09042	2.2
167.08609	1.8
169.10088	2.9
171.08076	5.6
171.11678	3.2
173.04483	2.4
173.11826	2.5
173.13239	4.6
175.11049	1.6
177.12726	3.8
179.10696	11.8
179.14256	2.3
184.07315	12.7
189.09145	10.2
189.11208	6.7
191.10551	1.9
193.12279	4.4
195.13861	5.1
197.11736	3.0
201.12730	1.8
206.12399	1.6
207.10078	5.2
209.11705	3.0
211.13292	4.3
225.11247	13.0
227.12799	27.0
229.14296	3.8
239.18124	2.7
255.15981	6.4
257.18900	10.2
267.15964	4.6
269.17499	14.5
273.18604	3.7
275.20056	33.8
281.13910	9.8
283.15607	4.5
285.17035	3.1
289.18048	2.6
291.19659	7.8
293.21036	3.0
299.14905	100.0
301.16293	2.1
307.19138	2.5
331.22546	3.2
349.23706	36.1
365.23129	4.4
367.24826	3.8
395.20660	2.6
413.21518	2.0
453.24536	3.1
469.24258	6.3
475.26614	1.8
479.26578	18.1
493.27963	75.2
494.28296	1.9
533.31287	2.3
555.33093	3.0
573.34192	61.1
574.34149	3.6
591.35309	16.9
637.31628	3.4
730.73877	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	788.4428
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	14.7
55.05507	21.5
57.03435	11.5
57.07066	1.7
59.04994	1.2
61.02927	2.2
65.03955	3.3
67.05503	55.2
68.05844	0.7
69.03425	6.0
69.07066	37.8
69.40421	2.0
69.40832	3.4
71.01385	0.9
71.04979	5.6
73.02928	2.5
77.03955	0.8
78.29245	0.8
79.05492	50.6
81.02969	1.6
81.03417	11.7
81.07055	46.5
83.01344	0.9
83.04976	7.9
83.08614	14.0
85.02916	3.7
85.06525	1.7
86.09704	2.3
87.04453	1.1
91.05481	38.9
92.05819	0.7
93.07043	60.9
95.04967	16.5
95.08604	58.3
97.02899	8.4
97.06535	17.5
97.10141	4.6
99.04458	4.8
99.08078	1.2
103.05494	2.0
105.04520	1.5
105.07033	30.1
107.04954	16.5
107.05634	1.3
107.08593	44.5
109.02917	1.9
109.06532	7.6
109.10153	22.0
111.04453	4.4
111.08106	4.6
113.05990	0.9
113.09638	1.9
115.05453	1.4
116.04728	1.5
117.07014	17.8
119.04948	1.1
119.08583	26.6
121.06500	9.9
121.10142	20.0
123.08042	4.3
123.11750	2.1
125.00002	1.1
125.06026	3.2
125.09620	4.8
127.03970	1.6
127.07563	1.3
128.06178	1.3
129.05502	2.3
129.07014	4.4
130.07838	2.2
131.08571	10.2
133.06551	1.6
133.10133	17.5
134.10565	0.8
135.08070	6.1
135.11690	55.9
137.09602	11.1
139.07591	2.2
139.11205	0.9
141.07018	1.4
143.08586	3.9
145.10121	39.2
147.08090	2.4
147.11691	6.8
149.09615	11.3
149.13307	2.3
151.11205	4.0
153.12799	1.3
155.08604	2.3
155.10634	1.4
157.08919	0.9
157.10114	4.4
159.11682	6.6
161.09633	3.2
161.13301	3.1
163.11177	66.7
165.09140	1.4
169.10144	1.5
171.11659	2.3
173.09682	2.1
173.11777	4.6
173.13327	3.5
175.11226	2.5
177.12784	2.3
177.29829	0.9
179.14389	2.2
181.12242	10.5
183.11700	1.8
184.07352	7.0
185.13448	0.8
187.11212	1.6
187.13441	0.9
187.83751	0.8
189.11232	1.3
189.12807	1.5
191.10667	1.7
193.12378	1.1
195.13803	1.0
197.13365	1.2
199.13510	1.5
209.11633	3.7
211.13287	1.0
213.12804	0.8
223.13388	2.9
227.12773	100.0
229.14417	7.0
229.19569	1.2
235.77342	0.8
239.18025	1.8
243.15923	1.0
245.19069	1.0
247.20612	1.0
253.14316	4.1
255.15874	1.4
257.19043	5.4
263.20538	0.9
267.15909	4.4
269.17297	0.8
273.18451	4.8
275.20078	18.6
281.14066	1.0
283.15405	52.1
284.15863	1.1
285.16983	1.7
291.19482	10.2
293.21008	2.6
299.14914	1.9
301.16699	0.9
331.22598	1.8
349.23718	32.1
365.23212	6.4
379.21088	4.2
383.24472	2.5
420.39981	0.9
437.25388	16.5
451.27109	1.6
461.29022	5.1
477.28516	1.4
479.26511	1.4
497.27710	0.9
505.27759	1.7
541.35394	2.9
557.34711	41.5
558.34692	1.3
573.34106	10.9
575.35840	2.8
591.35443	2.4
626.39795	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	788.4427
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	9.2
55.05513	22.7
57.03442	14.6
57.07071	3.6
59.05009	2.3
61.02924	3.4
65.03954	3.4
67.05506	52.9
69.03432	11.1
69.07070	27.5
71.04998	15.8
71.52323	1.6
73.02936	4.1
78.79268	1.3
79.05496	60.8
81.03420	15.7
81.07057	57.2
81.07531	2.8
82.07412	1.5
83.04990	12.1
83.08619	14.1
85.02892	7.9
85.06533	6.8
86.09711	2.5
91.05482	35.3
91.06026	2.6
93.07047	68.3
95.04973	18.1
95.08610	52.6
97.02914	9.2
97.06538	43.1
97.10186	4.6
99.04456	6.6
99.08100	3.5
103.05484	2.5
105.04485	2.2
105.07030	30.6
107.04960	19.4
107.07879	2.7
107.08599	45.4
107.09310	2.9
109.02909	3.0
109.06520	15.6
109.10151	14.6
111.04463	2.3
111.08080	10.1
113.06001	3.6
115.05417	1.6
115.07573	8.3
117.07021	21.8
119.08587	23.8
121.06505	14.3
121.10155	21.5
123.08096	6.0
123.11672	2.6
124.99914	2.1
125.05966	2.9
125.09647	2.5
127.03930	3.4
127.07519	2.3
128.06226	2.5
129.05484	1.6
129.06995	9.4
130.07852	2.2
130.65991	1.6
131.08580	13.5
133.06483	4.1
133.10136	18.2
135.08051	11.2
135.11691	52.6
137.09665	2.2
140.87373	1.2
141.06992	2.3
143.08597	6.2
145.06459	1.6
145.10124	41.3
145.89400	1.5
147.08070	5.7
147.11678	5.5
149.09630	5.0
149.13251	5.7
151.11198	5.1
153.12733	2.2
157.10185	4.8
159.08049	2.4
159.11691	9.0
161.09608	4.5
161.53499	1.4
163.03922	2.4
163.11192	59.9
165.09184	1.9
171.11684	3.9
173.04437	2.5
173.09619	3.9
173.13332	2.4
175.11194	3.6
177.12787	5.3
181.12225	13.1
184.07358	5.8
185.09758	1.5
185.13306	3.9
187.11130	1.8
189.12804	1.7
191.10754	2.4
193.12309	4.0
195.13835	2.6
199.14874	3.1
205.12209	2.2
209.11781	2.5
211.13248	1.6
217.15854	8.5
221.15367	3.1
227.12784	100.0
228.13258	2.0
231.14043	1.8
237.16272	2.2
245.19069	2.9
253.14380	6.0
255.17685	2.3
263.19931	1.4
267.15854	5.1
269.17502	19.5
273.18497	26.6
279.15915	3.0
283.15427	59.8
283.18567	3.2
284.15506	1.6
285.17078	2.7
289.17966	3.9
291.19562	18.4
299.14868	2.8
307.19031	4.1
319.22607	2.5
329.21085	1.9
339.18057	3.1
347.22220	18.2
365.23331	17.0
381.22531	1.7
383.24506	2.5
463.26889	6.3
477.28506	35.5
493.28369	2.0
499.30249	3.7
505.28119	3.2
515.30164	3.5
555.33240	14.5
573.34363	30.3
591.35095	12.2
626.37860	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	788.4276
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	5.3
55.05516	36.8
57.03441	22.4
57.07058	1.2
57.87351	0.7
59.05005	62.8
59.75806	0.7
61.02928	3.0
65.03943	3.6
67.05510	100.0
69.03153	0.6
69.03439	5.1
69.07076	8.3
69.21832	6.2
71.01363	1.4
71.04999	15.4
73.02905	1.5
79.05497	20.9
79.43956	0.8
81.03420	11.6
81.07063	25.0
83.01346	1.2
83.04992	5.9
83.08625	15.0
84.08219	0.7
85.02905	6.8
85.06565	3.4
87.04474	66.6
91.03975	0.7
91.05493	13.6
93.07055	11.7
95.04974	6.3
95.08617	10.6
97.02895	6.4
97.06563	2.9
97.10175	20.3
97.10795	1.4
99.04464	24.2
101.06023	1.6
103.03944	1.7
105.07049	5.3
107.04964	3.7
107.08597	13.6
107.09298	1.1
108.33273	0.9
109.02882	2.0
109.06551	2.2
109.10164	82.0
111.04465	4.3
111.08106	4.4
113.05991	0.8
115.03925	1.8
117.05534	1.7
117.07006	3.4
119.08579	12.2
119.09343	0.8
121.06546	1.6
121.10168	4.3
123.04440	1.9
123.08110	1.6
125.05997	1.1
125.09641	23.4
127.03989	2.1
127.11256	0.8
129.05511	1.2
129.07025	1.3
131.08600	3.0
133.10141	1.8
135.08122	1.1
135.11681	3.9
137.09621	5.4
143.08661	0.8
143.10695	2.5
145.06531	1.0
145.10121	4.6
147.08049	1.3
147.11705	2.0
149.09708	2.2
153.12788	2.4
155.10646	9.6
155.11742	0.8
157.10176	0.9
157.12389	1.4
161.09657	0.8
163.03850	0.8
163.11218	5.6
173.04459	2.1
173.09647	1.7
173.11740	36.0
175.11137	1.0
179.10620	0.9
181.12334	2.4
189.11279	1.4
191.10767	2.6
193.12321	2.2
199.13297	17.8
209.11829	3.2
211.13364	1.4
217.14447	2.6
217.54024	0.9
223.13356	1.7
225.15083	0.8
227.12843	5.7
229.14360	74.1
230.06052	0.8
230.14690	1.8
241.14436	5.1
243.16048	1.0
255.16150	1.1
257.13849	4.1
257.55029	0.8
267.15909	4.5
283.15594	3.4
315.18054	6.3
333.19168	1.9
353.23355	3.9
371.24347	8.7
383.24310	30.0
383.29147	1.5
399.24237	1.1
409.25888	1.1
421.26163	1.0
426.59006	0.9
437.25571	1.1
437.84244	0.8
441.28644	1.0
455.26074	1.0
469.27966	2.4
487.29337	3.1
534.16180	0.7
573.32898	4.2
591.33459	1.0
638.78149	0.8
809.91248	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	788.4275
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	4.0
55.05513	35.5
57.03439	19.2
57.07076	1.9
59.05004	74.1
60.24468	0.6
61.02939	3.3
65.03944	2.8
67.05508	100.0
68.05844	0.9
69.03429	5.9
69.07072	7.5
69.44316	4.6
69.48378	0.8
71.01343	1.2
71.04997	15.0
73.02929	0.8
75.04480	1.0
79.05496	18.7
81.03420	8.9
81.07059	26.6
83.01347	1.1
83.04980	5.7
83.08623	15.7
85.02917	7.1
85.06541	3.9
87.04472	78.4
91.03959	0.8
91.05487	10.2
93.07049	9.0
95.04974	3.4
95.08609	9.2
96.04507	0.7
97.02892	5.4
97.06525	2.6
97.10172	21.6
99.04459	23.0
99.08115	0.6
101.06026	1.2
103.03928	1.4
105.07069	4.1
107.04960	3.4
107.08596	11.7
109.02871	1.6
109.06548	2.3
109.10162	91.7
110.10465	1.0
111.04459	4.5
111.08073	5.2
115.03928	2.2
117.05483	1.1
117.07030	2.3
119.08591	10.7
121.10126	3.6
123.04464	1.2
123.08078	1.4
125.06032	1.4
125.09642	22.6
127.03932	2.1
129.05499	1.8
129.07008	0.9
131.08577	2.6
133.10159	1.9
135.11690	3.2
137.09604	5.9
139.11151	0.7
143.10651	2.5
145.04904	0.8
145.10112	3.9
146.36273	0.7
147.08084	1.1
149.09613	2.0
153.05305	0.8
153.12715	2.1
155.10667	14.7
157.10100	1.8
157.12280	1.2
161.09636	0.9
163.11195	5.1
173.04480	2.4
173.11751	38.8
181.12213	1.9
189.11246	1.4
191.10600	2.0
193.12259	2.9
197.11784	0.9
199.13304	17.0
209.11795	3.7
211.13245	0.9
217.14346	2.6
223.13364	2.4
225.14830	0.9
227.12738	5.3
229.14360	89.1
230.14651	1.7
241.14288	6.0
251.29581	0.8
257.13953	3.5
267.15933	5.6
269.10751	0.9
283.15396	2.9
300.21478	0.8
315.17984	7.7
333.19086	1.3
353.23141	4.9
371.24341	10.0
383.24286	40.9
421.25867	0.9
437.25381	1.2
455.26410	0.8
469.27853	2.8
475.29041	1.0
487.28699	2.9
566.66626	0.7
573.32837	6.7
731.39117	0.7
788.41095	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	788.4266
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	5.6
55.05511	33.2
57.03153	1.0
57.03436	18.0
57.07072	0.6
59.05001	66.2
61.02922	2.5
65.03944	3.1
67.05505	100.0
68.02635	0.5
68.05849	0.6
68.83164	0.5
69.03421	6.7
69.07066	8.0
70.06582	0.9
71.01358	1.9
71.04995	14.5
72.04518	2.5
73.02911	1.1
75.04489	0.8
79.05017	0.4
79.05493	19.3
81.03422	10.2
81.07058	25.7
83.01349	0.8
83.04980	6.2
83.08616	15.7
84.04531	0.8
85.02909	8.2
85.06547	4.0
87.04469	69.1
90.96671	0.5
91.03957	1.2
91.05479	13.9
93.03375	0.7
93.07043	10.0
95.04964	4.8
95.08609	11.0
96.04518	0.7
97.02885	5.4
97.06526	2.3
97.09545	1.1
97.10169	21.8
98.10554	0.5
99.04454	22.2
99.08095	0.6
100.88654	0.5
101.06055	1.4
103.03955	2.3
105.07023	4.5
107.04967	3.6
107.08601	12.9
109.02880	0.7
109.06561	2.9
109.10156	89.5
110.10549	0.7
111.04452	4.1
111.08078	5.4
113.02383	0.5
113.06030	1.0
115.03945	1.5
115.05419	0.6
117.05618	0.5
117.07034	2.2
119.06102	0.5
119.08582	12.7
121.06509	2.0
121.10141	4.2
123.04444	1.7
123.08088	1.5
125.05981	1.4
125.09631	23.3
127.03909	2.1
127.11192	0.8
129.05519	0.7
129.07022	1.4
131.08575	3.1
133.10156	2.4
135.08037	1.4
135.11691	3.7
137.05934	0.5
137.09613	5.3
139.03946	0.8
139.07748	0.5
143.10670	2.6
145.06473	1.0
145.10144	4.7
147.08054	1.5
147.11678	1.8
149.09634	1.7
151.07509	0.5
151.11145	0.6
153.09099	0.5
153.12749	2.2
155.10654	7.7
157.10132	1.7
157.12241	1.5
159.08118	0.8
163.03932	0.9
163.11176	5.5
170.11772	0.5
173.04454	2.0
173.09695	1.6
173.11739	37.8
175.11215	1.6
181.12216	1.7
184.07323	0.9
187.11220	0.7
189.11182	1.6
191.10609	2.7
193.12238	3.3
197.11726	0.5
199.13295	16.0
209.11694	2.7
209.95947	0.5
211.13229	1.1
213.14864	0.5
217.14288	2.7
223.13255	2.9
225.14845	0.8
227.12755	5.2
229.14349	85.6
230.14619	1.5
241.14336	5.8
243.15945	0.6
245.13980	0.7
257.13870	5.2
259.15210	0.8
265.14389	0.7
267.15961	6.0
271.16833	0.5
277.38464	0.5
283.15430	3.1
289.17996	0.6
291.19458	1.6
315.18027	7.7
333.19019	1.4
341.23004	0.5
353.23260	4.5
365.23169	0.9
371.24323	8.5
381.51163	0.6
381.72720	0.6
383.24274	34.8
384.24640	0.7
421.26031	0.7
437.25214	1.1
469.27991	2.7
475.28479	0.8
487.29068	3.7
555.32727	1.1
573.32928	5.5
591.34100	2.1
626.39044	2.9
631.32074	0.7
788.45074	2.6
789.42236	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	787.499
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	13.8
55.05517	35.9
57.03439	11.1
57.07074	5.3
59.21474	2.0
61.02934	13.9
63.87457	1.9
64.24028	2.1
65.03928	4.8
65.49756	2.0
65.98997	2.2
67.05509	79.7
69.03433	18.1
69.07074	32.8
71.04983	8.0
71.08640	2.7
71.53500	3.6
73.02911	4.7
79.05497	58.0
81.03426	29.2
81.07061	73.0
83.04982	12.9
83.08628	16.5
85.02921	14.1
85.06543	4.7
86.92312	2.2
87.49583	2.3
91.03976	5.0
91.05486	58.1
93.07051	68.7
95.04978	10.3
95.08612	42.0
97.02885	17.5
97.06544	16.9
97.10173	8.1
99.04441	5.5
99.08101	4.3
101.02405	3.0
103.05479	2.3
105.04545	2.2
105.07041	52.0
106.30387	2.8
107.04964	7.8
107.08598	37.5
109.02886	8.6
109.06509	9.8
109.10173	20.9
111.08121	5.8
115.05458	3.6
117.07024	28.3
119.08591	41.0
121.06512	5.6
121.10152	25.7
123.08091	6.4
123.11722	10.3
125.09637	8.8
127.03909	7.9
128.06241	6.4
129.07039	16.6
131.08577	38.8
133.06520	3.9
133.10133	36.1
135.08119	5.5
135.11708	13.8
137.02113	2.2
137.09601	6.5
137.13220	2.4
141.06972	4.5
142.07784	4.7
143.08566	19.8
145.10127	34.1
147.08040	4.7
147.11714	23.7
149.02361	27.9
149.03450	2.9
149.09601	4.8
149.13249	6.0
150.02724	7.7
151.11223	4.1
155.08545	14.8
156.09291	3.2
157.10130	21.7
159.08133	3.7
159.11703	25.0
161.09587	2.4
161.13275	10.4
163.11230	4.8
165.07103	3.0
167.08630	6.1
169.10112	19.1
171.11737	19.7
173.04465	6.8
173.11906	3.4
173.13264	12.7
175.11137	5.4
175.14870	6.1
177.12782	4.1
179.08589	4.4
179.14194	3.1
181.10123	9.8
183.11694	12.9
184.07341	5.7
185.13254	16.8
187.11212	2.9
187.14796	8.8
189.11200	3.7
189.12738	3.5
189.16422	2.6
193.05003	22.8
193.10143	3.5
194.05324	7.4
195.11702	12.7
197.13301	11.8
199.14803	10.9
201.12730	3.0
201.16377	4.3
207.11699	7.8
209.09691	2.2
209.13284	10.5
211.11287	2.6
211.14847	7.5
213.16415	8.1
215.17952	2.9
221.13290	5.7
223.14787	7.3
225.16309	4.3
227.12848	4.8
229.14322	5.2
231.20918	2.7
237.16374	5.5
239.17747	2.3
241.19527	6.7
251.18066	2.8
257.18997	3.2
259.20615	13.2
261.22009	2.7
267.15869	4.7
267.20947	3.0
269.17557	3.9
271.20834	3.1
273.18579	4.1
275.20160	13.0
309.21530	2.3
325.21988	3.2
333.24219	10.4
335.25949	3.6
339.23123	2.6
349.23907	4.6
365.28479	3.5
379.30096	3.9
421.30670	2.7
437.05331	2.6
495.34778	3.2
513.35876	21.5
515.38257	7.8
527.37433	15.8
529.38293	3.0
533.39856	7.6
545.37866	3.3
607.43591	58.1
611.46277	3.6
625.44678	100.0
626.44751	3.4
667.44788	3.1
671.41748	4.3
689.42175	8.5
715.44763	3.1
733.47150	4.5
751.47278	3.0
769.48346	7.9
770.16937	11.0
787.49805	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	786.5278
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05520	0.3
56.05029	0.7
57.07075	0.3
58.06602	0.5
60.05621	0.3
60.08166	6.5
67.05509	0.3
70.80299	0.2
71.02626	0.5
71.07376	3.7
71.85184	0.3
79.05501	0.3
80.44843	0.2
81.07035	0.4
86.09708	31.6
87.10049	0.3
93.07053	0.3
95.08624	0.3
98.24014	0.2
98.98464	3.1
104.10755	3.0
105.07082	0.3
107.08667	0.3
125.00009	20.2
166.02756	0.3
184.07344	100.0
185.07751	0.7
204.95932	0.3
214.40590	0.2
248.43279	0.3
313.27289	0.3
379.59039	0.2
768.51611	1.3
786.52582	10.3
787.53076	0.4
798.56366	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	786.5276
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05035	0.9
57.07062	0.1
58.06623	0.4
59.07386	0.1
60.08167	6.4
67.05495	0.2
69.07073	0.2
69.23153	0.8
70.06589	0.2
71.07378	3.9
71.08609	0.2
77.53457	0.1
79.05481	0.1
81.07047	0.2
81.64205	0.1
83.08625	0.1
83.65495	0.1
85.10181	0.1
86.09708	32.1
87.10037	0.2
95.08611	0.2
98.21507	0.2
98.98468	3.5
104.10750	3.3
104.11336	0.1
125.00008	22.1
143.01070	0.2
159.96471	0.1
166.02672	0.2
184.07346	100.0
185.07710	0.6
431.73172	0.1
478.32910	0.1
496.33884	0.2
530.28833	0.1
603.47015	0.1
715.62317	0.1
768.51184	0.4
786.52820	9.1
787.53461	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	786.5277
Annotation	Unknow
Peak:m/z	Relative Intensity
55.60292	0.2
56.05034	1.0
57.07069	0.2
57.76323	0.2
58.06611	0.4
59.04956	0.2
60.08163	7.1
60.86781	0.2
65.04951	0.2
67.05480	0.2
69.17356	0.5
69.17765	1.5
71.07372	4.0
71.08624	0.2
81.03370	0.3
81.06994	0.2
86.09703	35.4
87.10048	0.3
91.05495	0.3
95.08633	0.3
98.98463	3.3
104.10733	3.3
125.00001	23.0
159.06384	0.2
184.07333	100.0
185.07748	0.4
201.39221	0.2
257.03986	0.2
379.45758	0.2
476.96365	0.2
496.33984	0.3
516.38867	0.3
552.54260	0.3
768.51086	0.7
786.52734	9.4
787.52325	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	786.4632
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	16.6
55.05516	26.0
57.03437	11.4
57.07065	3.5
59.05000	3.7
61.02937	2.9
65.03931	4.9
65.44558	1.7
67.05510	100.0
69.03411	6.4
69.07072	39.9
71.04987	6.7
73.02887	1.8
73.06551	2.7
79.05499	91.2
81.03432	17.6
81.07062	71.6
83.04986	15.8
83.08623	13.6
85.02893	5.8
85.06546	4.6
86.09702	4.2
91.05488	86.9
93.07050	86.3
95.04977	25.4
95.08616	45.1
97.02885	5.7
97.06532	23.6
97.10183	6.0
99.08088	3.2
103.05441	2.3
105.04520	3.3
105.07040	65.0
107.04971	11.8
107.08604	29.4
109.02886	2.2
109.06487	8.9
109.10172	28.8
111.04446	2.5
111.08064	6.2
115.05437	3.5
117.07029	20.0
119.08594	40.8
121.06511	7.9
121.10130	10.7
121.98364	1.6
123.08073	8.7
125.00012	2.5
125.06003	1.8
125.09643	6.5
127.03918	4.3
128.06218	4.0
129.07025	20.2
130.07788	1.9
131.08572	18.6
133.10130	24.8
135.08086	2.8
135.11694	7.9
137.09619	14.4
141.06941	2.5
143.08588	13.5
143.09599	2.4
145.10121	21.2
147.08020	4.1
147.11684	41.1
149.09619	20.4
149.13268	4.2
155.08533	2.2
157.10130	3.4
159.11707	8.5
161.09653	7.8
161.13281	14.3
163.11194	13.4
165.09109	3.3
169.10223	2.4
171.11691	30.2
173.11755	8.2
173.13260	4.0
177.12782	4.2
179.14317	3.1
184.07359	10.1
187.11119	2.8
187.14830	2.1
189.12723	11.2
207.13782	31.4
211.13191	2.2
227.12796	5.9
229.07919	2.6
229.14430	10.8
229.19704	2.8
239.17995	1.9
247.20596	1.9
257.19070	8.1
273.18411	4.9
275.20102	25.6
281.17484	55.2
291.19580	7.6
293.21136	2.1
349.23761	27.8
365.22928	1.8
377.23215	4.8
380.42007	1.8
435.27423	44.6
449.28741	4.4
459.31140	8.1
461.29102	4.1
475.30472	4.3
477.28061	4.0
491.29288	1.7
555.36871	55.1
556.37140	2.8
557.34503	4.2
571.35748	3.2
573.37805	4.4
589.36798	4.3
600.40674	2.2
602.17242	1.9
624.43512	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	784.5329
Annotation	Unknow
Peak:m/z	Relative Intensity
55.37248	0.3
56.05031	0.8
61.02916	0.5
67.05494	1.1
69.03444	0.4
69.07067	1.3
71.08639	0.8
71.52457	0.6
73.02880	0.5
79.05482	0.7
81.03416	0.9
81.07059	1.1
85.02895	0.5
86.09709	100.0
91.03973	0.4
91.05487	1.0
91.50868	0.3
93.07035	1.3
98.09686	1.3
103.05476	1.3
105.07034	1.8
107.76794	0.4
112.11250	7.7
117.82181	0.4
120.08110	41.3
121.08492	0.4
132.08078	0.6
133.10164	0.5
146.09647	2.3
151.18730	0.4
153.10223	0.3
154.14632	0.8
154.15910	17.2
157.13370	12.2
182.67174	0.4
184.07393	1.6
185.12856	14.2
188.14354	6.7
191.11807	0.5
199.18062	15.2
209.16542	1.1
219.11366	1.4
225.19632	7.4
227.17538	14.3
232.75252	0.4
233.16498	17.1
234.16902	0.4
235.18201	0.5
243.15051	0.7
253.19116	6.8
256.61655	0.4
259.18100	1.9
261.16010	12.1
267.24316	6.8
267.26907	0.6
270.21970	0.4
277.22827	0.5
280.20282	0.4
281.18832	0.4
287.17551	3.2
295.23816	4.8
298.21262	7.2
300.13458	0.3
301.19745	0.5
301.22766	7.5
301.26099	0.5
311.21295	0.5
322.24741	0.5
329.22235	5.2
332.19742	5.9
340.25882	2.8
356.23544	1.0
366.27457	2.3
374.24432	4.1
383.30307	1.6
400.26065	3.0
408.32129	0.9
411.29761	4.9
417.28708	1.7
425.35260	0.4
442.30695	1.5
445.27994	4.4
453.34134	0.8
459.33633	1.1
479.36078	1.6
485.35385	0.4
487.32919	2.3
496.39029	1.1
513.34424	3.2
518.54248	0.4
524.38025	3.6
530.37012	2.1
555.39099	1.4
558.36481	10.2
568.35132	0.5
572.41675	0.4
592.44446	1.0
600.41772	1.3
609.47327	0.8
626.42700	5.7
637.46118	1.9
643.45453	5.3
653.43701	1.0
668.47766	0.6
671.44940	19.5
672.45038	1.0
711.51276	0.6
713.50110	0.6
739.51147	4.3
756.53821	8.3
766.52258	2.4
784.53387	12.6
785.54193	0.9
817.88226	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	784.4687
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	3.7
55.05509	13.0
55.59189	1.2
56.96553	1.5
57.03440	9.1
59.05015	1.6
61.02913	3.4
67.05502	20.0
69.03425	5.2
69.07065	6.1
70.06571	2.1
71.01339	1.6
71.04987	6.1
71.53048	2.1
79.05490	17.8
81.03419	60.8
81.07056	19.2
83.04974	5.3
83.08619	14.7
85.02905	9.6
85.06544	2.4
86.09698	3.4
87.00818	2.2
91.03903	1.4
91.05479	20.4
93.07034	17.4
95.04969	21.5
95.08599	12.3
97.02890	10.6
97.06520	3.9
97.10173	8.0
99.04465	2.7
99.08101	2.1
104.10764	2.8
105.01868	3.2
105.07035	14.0
107.04951	11.0
107.08604	15.1
109.02886	4.8
109.06521	7.3
109.10169	8.0
111.04444	2.8
111.08084	6.2
115.05489	2.0
117.06998	5.7
119.08588	21.8
121.06485	7.6
121.10134	12.7
121.59866	1.4
123.04433	3.2
123.08045	3.1
123.11707	3.0
125.00000	1.4
125.09631	8.7
127.03905	4.4
129.07025	9.4
131.04881	1.3
131.08589	10.7
133.06480	4.6
133.10144	10.7
135.04428	1.3
135.08046	3.0
135.11671	3.8
137.02274	1.6
137.09627	1.6
138.05470	2.9
139.03928	2.2
139.11171	1.8
142.07774	3.1
143.08556	3.5
145.04945	3.4
145.06520	2.7
145.10129	11.5
147.04445	2.0
147.08032	5.8
147.11694	12.7
149.09607	5.6
149.13223	2.3
153.09119	1.5
157.10104	9.5
159.11699	6.0
161.09590	3.7
161.13235	2.6
163.03900	7.6
163.11157	4.2
165.12805	1.6
169.10117	2.1
171.11685	3.3
173.09546	1.4
173.13278	9.9
175.03879	2.1
175.11217	6.7
175.14879	4.0
183.11653	2.6
184.07327	3.8
185.09607	2.0
185.13231	5.9
187.11084	1.7
187.14801	7.1
189.05429	2.1
189.09042	1.7
189.11197	2.7
189.12709	3.4
189.16437	3.0
191.14357	4.3
193.12263	22.1
195.11545	2.5
199.14821	4.6
201.16428	6.1
203.14362	2.4
205.12331	2.2
207.13683	2.0
209.13257	2.2
211.13234	2.9
213.12808	1.4
215.14375	2.3
219.13835	7.5
225.16434	1.8
227.12685	2.0
231.13809	2.5
233.15356	4.7
237.14841	1.8
245.15361	3.6
249.14845	3.0
255.09221	1.6
267.09308	1.7
267.15912	60.2
273.14609	2.8
277.09619	1.6
285.10007	2.2
293.17331	2.2
349.21567	2.7
367.22675	7.2
385.23776	14.0
391.29761	4.0
395.07565	1.8
403.24609	5.0
409.31158	2.5
419.29446	6.3
437.30353	12.6
439.32162	1.5
441.26447	8.1
455.31512	9.1
459.27411	100.0
460.27484	2.6
465.30219	7.5
471.30875	3.7
477.28491	81.7
478.28931	3.4
483.31174	13.9
491.29919	10.6
501.32932	8.6
509.31061	7.7
519.33014	3.4
548.27576	1.7
567.29895	2.0
569.37659	1.4
646.87360	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	783.4857
Annotation	Unknow
Peak:m/z	Relative Intensity
54.97485	0.3
55.01878	0.6
55.05521	2.4
57.03436	3.4
57.07091	2.4
59.04994	0.8
60.08161	1.9
61.02930	4.0
67.05172	0.7
67.05503	5.6
69.03431	2.8
69.07070	4.0
69.93655	2.0
71.04996	1.4
71.07378	1.0
71.08627	1.8
73.02909	3.4
79.05492	3.6
81.03412	3.1
81.07058	5.2
83.05001	0.7
83.08630	2.6
85.02904	3.7
85.06557	1.0
85.10170	0.8
86.09711	9.1
87.10046	1.3
89.06066	0.4
91.03986	2.0
91.05473	3.7
93.07044	3.5
94.58506	0.4
95.04981	4.5
95.08627	3.8
97.02902	3.9
97.06525	0.7
97.10187	1.3
98.21465	0.4
98.98489	1.1
99.04480	1.2
101.02370	2.0
103.03965	0.5
103.08157	0.4
105.07049	2.7
107.04981	0.9
107.08578	2.6
109.06521	4.0
109.10182	1.1
111.08112	1.1
111.11720	0.5
113.05981	1.9
117.07063	0.8
119.08591	1.6
121.10152	2.9
123.11745	0.9
125.00004	5.8
127.03933	1.0
129.07008	1.0
131.08563	1.8
133.10161	0.8
135.08078	2.9
135.11702	1.2
143.08640	0.5
145.10211	0.8
147.08017	0.6
147.11720	0.8
149.09615	1.5
151.11116	0.4
157.10162	1.4
163.11160	0.5
175.11197	1.0
184.07346	27.1
185.04279	0.9
185.07735	3.0
193.12286	1.4
195.13786	0.4
203.05385	0.4
217.15944	0.7
218.83688	0.4
225.14883	0.5
243.08423	2.4
265.25186	0.4
267.15857	0.9
273.18512	2.3
283.15143	4.1
291.19510	6.5
313.27408	3.9
339.17896	1.2
339.28973	0.5
365.23029	0.9
469.20554	0.6
501.23099	14.2
523.32660	5.0
545.42456	0.5
585.45612	0.8
603.46216	6.3
735.07294	0.5
783.48615	100.0
784.48914	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	781.4345
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	1.5
57.03440	2.3
61.02929	5.4
65.03932	0.5
67.05508	6.5
67.37711	0.3
69.03436	3.5
69.07071	2.9
71.04987	3.5
71.52740	0.4
73.02921	3.8
79.05495	3.6
81.03407	2.2
81.07059	4.0
83.04986	0.8
83.08614	0.5
85.02906	4.8
86.09705	0.7
91.03955	2.8
91.05478	3.2
91.36410	0.4
93.07034	3.8
95.04947	1.1
95.08615	2.3
97.02890	4.0
97.06545	1.2
97.10151	0.5
97.74026	0.4
99.04449	0.9
101.02381	1.5
103.04028	0.4
105.07043	1.8
105.07674	0.4
107.04958	0.5
107.08578	1.8
109.02898	0.7
109.06538	0.7
109.10149	3.0
117.07021	0.6
119.08579	2.0
121.10184	0.9
125.09661	0.5
127.03910	1.7
129.07008	0.5
131.08568	0.5
133.10162	1.1
135.11697	1.9
137.09642	1.4
139.03998	0.3
145.10161	1.2
156.98518	0.4
157.10132	0.5
163.11226	0.4
169.97235	0.3
173.11787	0.6
181.12317	0.5
184.07391	1.2
185.04193	0.4
221.11475	0.3
229.14369	0.4
243.08440	3.3
243.15834	0.6
253.14201	1.0
301.09055	0.5
303.19409	0.4
309.16620	0.4
333.20517	1.5
389.22980	0.6
427.19351	0.5
439.19370	1.5
453.20898	0.7
469.20532	0.5
471.22110	9.3
472.22580	0.5
543.24567	0.5
551.28369	4.9
585.29010	0.3
781.43396	100.0
782.43640	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	781.4712
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01853	0.8
55.05516	3.9
57.03427	2.5
57.07080	1.6
60.08153	1.9
60.08689	0.6
61.02929	5.3
62.15948	0.5
63.39505	0.6
63.47847	0.6
66.91185	0.5
67.05172	1.0
67.05502	9.1
68.05835	0.7
69.03421	3.1
69.07076	3.1
71.04985	0.9
71.08627	0.8
71.51988	0.8
73.02917	2.7
79.05498	3.1
81.03422	2.9
81.07059	5.5
83.05004	1.2
83.08620	3.0
83.32819	0.6
85.02896	4.8
86.09708	6.8
87.04488	1.4
88.11137	0.7
91.03974	2.6
91.05482	2.5
93.07042	3.2
95.04953	1.0
95.08634	3.8
97.02893	4.1
97.10163	1.3
101.02397	1.9
105.07043	1.9
107.02522	0.7
107.08610	1.8
109.10162	3.4
111.08125	1.1
119.08625	1.0
121.10139	3.4
123.11721	0.7
124.99989	3.9
125.09660	1.3
127.03923	1.5
129.07021	1.0
131.08548	1.5
133.10133	1.1
135.11693	1.1
147.11774	0.8
148.96150	0.6
149.09599	1.7
163.11264	0.7
184.07343	22.5
185.04265	1.0
185.07722	2.2
193.12360	1.1
199.13225	0.7
228.44806	0.7
229.14429	1.6
243.08475	1.9
283.15222	4.8
301.16638	0.8
337.27695	1.4
339.29019	2.5
339.34158	0.8
340.29349	2.3
363.27002	0.7
378.85040	0.6
482.39209	0.7
501.23141	11.7
521.31030	5.1
521.38562	2.0
566.41272	0.9
600.43134	0.7
677.45850	1.7
781.47095	100.0
782.47174	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	781.4345
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	1.5
57.03440	2.3
61.02929	5.4
65.03932	0.5
67.05508	6.5
67.37711	0.3
69.03436	3.5
69.07071	2.9
71.04987	3.5
71.52740	0.4
73.02921	3.8
79.05495	3.6
81.03407	2.2
81.07059	4.0
83.04986	0.8
83.08614	0.5
85.02906	4.8
86.09705	0.7
91.03955	2.8
91.05478	3.2
91.36410	0.4
93.07034	3.8
95.04947	1.1
95.08615	2.3
97.02890	4.0
97.06545	1.2
97.10151	0.5
97.74026	0.4
99.04449	0.9
101.02381	1.5
103.04028	0.4
105.07043	1.8
105.07674	0.4
107.04958	0.5
107.08578	1.8
109.02898	0.7
109.06538	0.7
109.10149	3.0
117.07021	0.6
119.08579	2.0
121.10184	0.9
125.09661	0.5
127.03910	1.7
129.07008	0.5
131.08568	0.5
133.10162	1.1
135.11697	1.9
137.09642	1.4
139.03998	0.3
145.10161	1.2
156.98518	0.4
157.10132	0.5
163.11226	0.4
169.97235	0.3
173.11787	0.6
181.12317	0.5
184.07391	1.2
185.04193	0.4
221.11475	0.3
229.14369	0.4
243.08440	3.3
243.15834	0.6
253.14201	1.0
301.09055	0.5
303.19409	0.4
309.16620	0.4
333.20517	1.5
389.22980	0.6
427.19351	0.5
439.19370	1.5
453.20898	0.7
469.20532	0.5
471.22110	9.3
472.22580	0.5
543.24567	0.5
551.28369	4.9
585.29010	0.3
781.43396	100.0
782.43640	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	780.5535
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	0.2
56.05042	1.0
58.06636	0.5
60.08165	6.4
65.55092	0.1
67.05511	0.5
70.10045	0.7
71.07378	3.3
79.05495	0.3
81.07066	0.6
86.09708	31.4
93.07027	0.2
95.08608	0.4
98.98468	3.3
104.10756	1.8
105.07043	0.3
125.00011	20.9
130.41759	0.2
143.01010	0.2
146.98180	0.5
175.41002	0.2
184.07343	100.0
185.07646	0.5
381.20425	0.2
398.86307	0.2
421.41946	0.2
597.48322	0.3
721.47009	0.4
780.55365	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	780.5474
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	2.0
56.05028	0.7
57.03442	4.3
57.07076	7.5
58.06598	0.5
60.07882	0.4
60.08166	6.3
67.05512	3.7
69.03436	0.6
69.07079	2.3
69.68211	1.6
71.04991	0.5
71.07377	3.6
71.08633	6.0
79.05497	2.5
81.03420	17.3
81.07057	4.8
83.04967	0.7
83.08143	0.4
83.08621	5.5
83.74300	0.3
85.06523	0.3
85.10184	3.6
86.09708	29.3
91.05479	3.2
91.22373	0.3
93.07040	2.0
95.04974	4.5
95.08607	4.5
97.02876	0.7
97.06560	0.5
97.10171	1.5
98.98473	3.6
99.08075	0.3
104.10767	1.9
105.07037	2.0
107.04943	1.1
107.08585	0.7
109.06483	0.6
109.10156	2.4
111.04405	0.4
111.08094	1.5
111.11706	0.7
115.05448	0.4
117.07017	0.4
119.04929	0.5
119.08591	3.2
121.06521	0.5
121.10159	1.6
123.08061	0.4
123.11697	0.8
125.00005	20.0
129.07002	1.6
131.08554	1.6
133.06494	0.7
133.10136	1.0
137.13235	0.5
142.07779	0.4
143.01045	0.4
145.10178	0.3
147.08044	0.8
147.11670	1.9
149.09608	1.0
157.10112	2.2
163.11124	0.4
175.11194	1.9
184.07346	100.0
185.07841	0.3
193.12254	6.2
193.13896	0.5
195.11848	0.3
211.13237	0.6
249.14825	0.6
259.13275	0.4
267.15921	34.2
268.16220	0.7
285.27789	0.4
309.16769	0.5
341.30505	31.9
342.30765	0.7
533.42023	28.3
534.42090	0.8
575.42627	1.1
583.44739	0.4
617.44684	0.4
629.43793	0.5
780.55475	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	779.4551
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	0.5
55.05516	1.5
57.03443	2.0
57.07069	0.4
59.04997	0.5
61.02929	4.7
65.03941	0.3
67.05506	4.8
69.03442	3.2
69.07059	0.7
69.99608	0.8
71.01356	0.4
71.04987	1.0
73.02924	4.0
74.39539	0.2
79.05493	3.4
81.03424	2.7
81.07056	4.3
83.04975	0.6
83.08627	0.9
85.02434	0.4
85.02911	5.2
85.06548	0.3
86.09705	1.5
87.04476	0.5
91.03958	3.0
91.05479	2.5
93.07045	3.7
95.04965	0.5
95.08607	3.7
97.02901	4.1
97.06556	0.4
99.04459	0.8
101.02373	1.9
103.03930	0.3
105.07035	2.0
107.08610	2.1
109.02893	1.0
109.06571	0.3
109.10152	1.5
111.08077	0.4
113.32439	0.3
115.03916	0.5
115.05360	0.3
117.07021	0.4
119.08590	1.1
121.06536	0.2
121.10162	2.2
123.11706	0.4
125.00026	1.1
127.03941	1.6
129.07034	0.4
131.08594	1.0
133.10150	0.9
135.10696	0.2
135.11700	0.7
140.56516	0.2
145.04976	0.4
145.10191	0.4
147.11725	1.0
149.09659	0.7
149.13293	0.5
157.10205	0.6
161.13348	0.4
175.11211	0.5
184.07355	5.6
185.04286	0.7
185.07704	0.6
187.14915	0.3
193.12329	0.7
203.05371	0.6
225.14845	0.3
240.85603	0.2
243.08412	2.3
267.16010	0.4
283.15182	5.2
309.04080	0.3
335.26099	0.7
339.17889	0.8
469.20499	0.4
501.23135	7.9
501.30429	0.5
519.29303	8.4
617.40649	0.4
749.82611	0.3
779.45514	100.0
780.45972	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	779.419
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	1.3
55.05506	1.9
56.96562	0.8
57.03434	1.6
60.08163	1.7
61.02923	4.2
67.05508	5.0
69.03444	3.0
69.07075	2.8
69.93324	2.7
70.30820	0.5
71.05007	0.9
71.07371	0.6
73.02930	3.1
75.60699	0.5
78.37841	0.6
79.05502	4.6
81.03421	4.3
81.07059	4.9
83.04970	1.2
83.08633	1.7
85.02916	6.9
86.09707	8.4
87.04533	0.5
87.10053	1.3
91.03958	2.9
91.05485	4.9
93.07040	3.6
95.04969	2.7
95.08624	2.8
97.02900	3.9
97.06561	0.8
97.10200	1.0
98.98502	1.2
99.04453	0.9
101.02374	1.8
103.11600	0.6
104.10751	0.7
105.07040	3.4
107.08604	2.0
109.02889	1.5
109.06525	1.1
109.10172	1.9
114.18221	0.7
117.07008	1.3
119.08617	2.3
121.10151	1.1
125.00010	4.9
125.09621	0.8
127.03937	1.4
129.07037	1.5
131.08614	1.5
133.10162	1.7
135.11717	0.9
139.03894	0.8
145.10121	1.1
147.11697	1.8
147.16425	0.6
157.10159	1.3
163.03912	0.9
171.08189	0.6
171.57050	0.6
175.11166	1.2
177.05537	0.7
184.07346	29.2
185.04228	0.6
185.07700	3.9
193.12230	1.1
194.14891	0.5
199.15031	0.5
243.08549	2.2
251.12685	1.1
271.15390	0.6
333.20514	2.1
439.19818	1.1
469.20459	9.8
471.15793	0.7
541.22705	0.6
551.28320	4.5
627.29504	0.8
761.44690	0.8
779.41876	100.0
780.42242	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	779.3698
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01856	0.8
55.05517	1.2
56.96568	0.7
57.03432	1.9
59.04997	0.6
61.02924	5.1
64.18545	0.5
64.64535	0.5
67.05510	10.1
69.03425	3.2
69.07069	1.1
69.75367	0.5
70.06590	0.8
71.04981	0.9
71.52806	0.6
73.02914	3.9
74.24780	0.5
79.05493	1.6
81.03439	2.9
81.07060	2.5
83.08646	1.4
85.02900	5.2
85.06506	0.6
91.03948	2.5
91.05479	2.2
93.07053	2.3
95.04962	1.5
95.08604	1.7
97.02905	4.8
97.06562	0.7
99.04436	1.0
101.02381	1.5
103.03974	0.7
105.07035	0.7
107.08559	0.9
109.02895	1.7
109.10164	13.7
111.08132	0.6
115.03938	0.7
119.05022	0.6
119.08581	1.6
121.10162	1.1
123.04463	2.1
125.09624	0.6
127.03909	1.7
129.07021	0.6
131.08609	1.0
133.10167	0.8
135.11787	0.5
137.05986	0.9
137.09645	1.1
139.03925	0.8
147.04449	0.6
147.11684	0.6
149.09561	0.6
155.10704	1.5
161.06001	0.6
163.03937	2.0
163.11264	0.7
173.10364	0.7
173.11754	4.5
175.04031	0.6
184.07448	0.7
185.04187	0.9
195.10013	2.3
195.11823	0.6
200.92427	0.5
203.05360	0.6
229.14348	3.7
243.08443	2.2
251.12817	0.9
267.09067	0.7
303.04922	1.0
335.09268	0.6
337.54843	0.6
362.65570	0.5
369.49957	0.6
409.16351	0.6
413.17828	31.3
414.17996	0.9
423.23724	1.1
439.19690	1.0
556.84607	0.6
570.02545	0.6
585.28821	100.0
586.29041	4.0
611.30988	2.7
629.31085	0.7
643.32007	0.9
657.30768	1.0
675.31635	15.9
689.32257	26.5
729.32141	0.8
779.36005	13.3
780.38086	0.8
810.73694	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	778.5307
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01839	1.9
55.05514	15.4
57.03440	12.8
57.07079	6.0
61.02885	0.8
61.12689	0.5
67.05507	20.0
69.03410	1.4
69.07069	23.8
71.04967	2.1
71.08635	3.9
76.07613	0.5
79.05082	0.7
79.05493	10.6
80.43898	0.5
81.03419	58.3
81.07059	24.2
83.04973	3.3
83.08621	27.1
85.02871	1.0
85.06512	2.0
85.10156	2.2
85.90375	0.6
86.09689	2.8
91.05481	11.9
93.06480	0.7
93.07044	11.8
95.04391	0.9
95.04967	16.3
95.08610	20.2
95.16164	0.5
97.02848	1.8
97.06561	4.1
97.10179	11.3
99.04379	0.7
99.08074	1.4
99.53065	0.6
105.06403	0.7
105.07032	8.9
107.04949	3.5
107.08594	7.5
109.06494	2.4
109.10149	9.2
111.04420	1.7
111.08094	5.7
111.11708	3.3
113.05982	0.7
115.05419	1.5
117.07001	1.0
119.04922	1.0
119.07798	0.8
119.08584	8.4
121.06487	2.3
121.09332	0.9
121.10143	11.7
123.04469	1.4
123.08038	1.2
123.11635	2.4
124.99984	2.0
125.09579	1.7
129.07024	5.9
131.08566	6.0
133.06473	2.2
133.10158	2.7
135.11690	6.4
135.48460	0.6
137.09579	1.1
137.13260	0.7
139.11145	0.9
142.07753	1.3
145.10080	0.9
147.04298	0.9
147.08026	2.3
147.11684	5.0
149.09641	3.2
149.13229	2.6
153.12903	0.6
154.25264	0.6
157.10135	7.8
163.11229	0.9
165.12747	1.5
175.11180	6.6
177.12668	0.7
184.07373	8.2
193.12242	20.4
197.09695	0.6
211.13199	1.5
220.47260	0.6
237.14969	0.7
247.24265	1.5
249.14842	1.8
259.13181	1.1
265.25275	2.5
267.15921	100.0
268.16187	1.6
273.14774	0.8
301.14255	0.7
309.16916	1.4
319.15466	0.8
339.28946	85.7
340.29257	1.8
457.36835	1.9
476.94983	0.7
531.40466	78.2
532.40845	2.7
549.41547	14.5
573.41278	3.0
627.42780	1.0
657.43274	0.8
675.44086	0.7
806.64648	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	779.369
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01847	0.7
55.05506	2.5
56.96587	0.8
57.03438	2.4
57.04366	0.6
59.04999	1.3
61.02927	5.0
67.05505	14.3
69.03432	4.3
69.07079	1.3
70.63802	2.0
70.64167	0.7
71.05000	1.5
73.02916	4.0
79.05508	2.2
79.83949	0.6
81.03413	2.6
81.07066	4.0
83.04972	1.0
83.08617	1.9
85.02910	6.1
91.03960	4.6
91.05497	3.1
93.07050	2.0
95.04983	1.0
95.08601	2.1
97.02892	6.4
97.06535	0.7
99.04465	1.2
101.02373	2.3
103.03971	0.7
105.07030	1.6
107.04945	0.9
107.08629	1.0
109.02899	1.5
109.10157	12.3
111.04430	0.8
111.08068	1.1
119.04990	0.7
119.08609	2.6
121.06524	1.0
121.10182	1.2
121.73777	0.6
123.04438	2.2
127.03923	1.6
129.07005	0.8
134.64346	0.7
135.04411	0.7
135.11673	0.8
137.06038	1.6
137.09637	1.0
139.03920	1.2
145.04976	0.8
145.10162	0.7
155.10704	2.0
163.03954	1.5
167.03438	0.7
173.11789	5.4
195.09947	2.2
203.05289	1.1
207.06583	1.3
216.40602	0.8
229.14320	4.4
243.08478	2.1
245.60774	0.6
251.12503	1.6
303.05005	0.8
385.18423	1.2
413.17834	34.9
414.18140	0.9
501.22696	1.3
585.28815	100.0
586.29803	3.3
611.30426	3.5
621.74017	0.7
643.32776	1.3
650.26080	0.7
657.30682	1.6
675.31665	18.2
689.32410	29.0
729.32330	1.8
761.36169	1.2
779.35730	14.3
780.35474	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	777.4029
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	1.1
55.05518	2.4
57.03446	1.9
60.08160	0.7
61.02924	3.3
65.03967	0.3
67.05511	4.6
68.05825	0.4
69.03428	3.1
69.07072	3.3
69.81393	0.7
69.81814	0.9
71.01356	0.3
71.04985	1.4
73.02925	2.9
79.05499	4.5
81.03433	2.5
81.07066	4.7
82.07382	0.3
83.04990	0.8
83.08621	1.5
83.97090	0.3
85.02906	3.5
85.06541	0.3
86.09737	1.9
91.03980	1.8
91.05488	3.8
91.19065	0.3
93.07053	3.7
94.07380	0.3
94.38647	0.3
95.04986	1.4
95.08605	3.4
95.31590	0.3
97.02911	2.9
97.06528	0.8
97.10196	1.1
98.20739	0.3
99.04465	0.9
101.02390	1.1
103.78658	0.3
105.07042	2.8
107.04958	0.9
107.08589	3.7
109.02914	0.7
109.06493	0.5
109.10162	2.1
110.10523	0.3
111.04420	0.3
111.08126	0.5
115.03888	0.4
117.07048	1.1
119.08574	2.0
121.06549	0.5
121.10155	1.4
123.08113	0.5
124.99997	1.4
125.09662	0.6
127.03918	0.9
130.07788	0.3
131.08598	1.0
133.10130	1.1
135.11700	3.6
135.76414	0.3
136.12044	0.3
137.09624	0.6
143.08606	0.3
145.10094	2.1
147.11740	0.7
149.09622	0.5
157.10220	0.3
159.11792	0.3
163.11197	4.2
181.12238	0.6
184.07352	6.2
185.04207	0.6
185.07773	0.9
193.12421	0.3
203.05437	0.4
211.13388	0.5
219.10103	0.8
227.12794	3.9
227.14597	0.3
228.55257	0.3
243.08409	3.2
243.10474	0.3
249.10985	7.4
249.13358	0.5
285.17096	0.3
301.09000	0.6
305.13629	2.1
315.10696	0.4
333.20453	1.1
349.16623	0.4
389.23276	0.7
439.19620	1.2
453.21121	0.7
465.21649	0.4
467.18875	12.9
468.19626	0.4
469.20377	0.7
504.33676	0.5
530.35760	0.7
539.21350	0.7
551.28363	7.2
562.38031	0.6
615.35376	0.5
777.40332	100.0
778.40491	4.5
787.03613	0.4
787.17517	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	777.3876
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01841	0.5
55.05510	0.5
57.03439	1.8
59.04996	0.7
61.02925	4.3
67.05184	0.4
67.05503	5.4
69.03436	2.3
69.27823	1.8
69.28250	1.0
71.01363	0.5
71.04979	1.2
73.02921	2.9
79.05479	1.9
81.03421	3.2
81.07050	2.7
83.04996	0.6
83.08595	1.0
83.82104	0.3
85.02909	4.8
85.06522	0.5
87.04472	0.5
91.03950	3.0
91.05488	2.2
93.07039	1.4
95.04967	1.5
95.08611	1.8
97.02897	4.0
97.06511	0.6
99.04462	0.4
101.02386	1.7
103.03915	0.6
105.07016	1.2
107.08591	0.9
109.02856	0.7
109.10152	4.9
111.08104	0.6
119.08573	1.5
121.10145	1.3
127.03912	1.2
129.05469	0.4
129.07039	0.7
129.52267	0.3
131.08575	1.1
133.10127	1.2
147.11694	1.0
149.09602	1.7
155.10693	0.8
157.10132	1.0
173.11731	2.3
175.11191	1.1
185.04210	0.4
192.70584	0.4
193.12256	1.2
195.09929	1.3
203.05186	0.5
225.14813	0.7
229.14232	2.0
243.08394	3.3
253.14439	0.5
267.16037	1.2
283.15125	5.4
339.17816	1.2
413.17834	17.2
469.20557	0.5
501.23041	18.0
511.28976	1.0
517.22797	0.5
673.34064	100.0
674.34528	3.8
759.37378	0.9
777.38696	20.1
778.38794	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	777.3659
Annotation	Unknow
Peak:m/z	Relative Intensity
54.63504	0.4
55.05510	0.7
56.96577	0.6
57.03425	0.4
57.07142	0.4
61.02908	0.7
67.05501	1.8
69.03428	0.8
69.07053	0.8
69.21974	0.8
69.22381	2.9
70.06586	0.7
72.08160	0.6
73.02919	0.7
79.05499	1.0
80.05051	0.5
80.64040	0.4
81.03416	1.2
81.07059	1.5
83.04974	0.4
83.08624	0.5
85.02916	1.4
91.05499	1.0
93.07085	1.1
95.05038	0.7
95.08617	0.8
97.02919	1.2
98.97609	0.6
105.07053	0.8
107.08622	0.8
109.02834	0.4
109.10184	1.1
117.07053	0.5
119.08622	0.7
121.10152	0.6
131.08632	0.6
135.11737	1.0
139.03951	0.6
149.09662	0.6
162.48375	0.3
163.03925	1.3
193.12108	0.4
249.08237	0.7
258.94601	0.4
267.09045	5.9
281.10611	0.6
285.10065	3.6
291.50769	0.4
303.05075	0.4
323.11716	0.6
390.40671	0.5
403.78195	0.5
436.39917	0.5
439.19382	0.7
448.12268	0.4
467.16321	0.5
485.17157	2.6
501.23029	1.3
517.20496	0.9
550.83942	0.4
673.32727	1.6
677.28656	1.6
699.35773	5.0
777.36707	100.0
778.37085	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	776.5151
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	2.7
55.05514	25.1
56.05028	2.9
57.03442	16.4
57.07067	9.5
67.05507	71.1
69.03411	4.1
69.06724	2.6
69.07075	23.3
71.04981	2.9
71.07375	8.4
71.08620	5.5
71.52718	3.0
77.39500	1.8
79.05502	20.5
79.13957	2.2
81.03422	69.6
81.07053	49.8
83.04994	6.4
83.08624	30.0
85.10179	4.0
86.09231	3.4
86.09715	57.2
87.58018	2.5
89.97202	2.0
91.05491	21.2
93.07048	25.1
95.04980	22.8
95.08614	42.2
97.02921	2.7
97.06535	3.7
97.10158	10.7
99.08150	2.2
105.07030	15.1
107.04935	3.4
107.08597	13.7
109.06536	3.7
109.10160	30.3
111.04451	3.5
111.08073	7.6
111.11685	2.4
115.05453	2.7
117.07028	2.2
119.08582	15.4
121.06484	4.9
121.10139	8.6
123.08083	4.2
123.11710	7.0
124.99997	6.2
125.09650	3.1
129.07010	7.3
131.08556	8.8
133.06445	2.2
133.08600	2.5
133.10132	8.7
135.11717	5.2
137.09586	2.4
137.13231	3.4
145.10182	2.4
146.98192	36.7
147.08038	2.7
147.11723	13.3
149.09644	5.3
157.10104	8.5
163.11264	2.3
163.19490	2.2
175.11241	5.0
175.14822	2.2
184.07329	19.4
186.07710	2.5
193.12212	20.7
227.12680	2.4
245.22716	3.7
249.14847	2.9
253.14206	2.1
263.23648	4.5
267.15927	100.0
337.27393	77.7
338.27783	2.4
455.35330	5.1
473.36353	3.1
489.35507	37.0
529.38916	86.6
530.39307	4.5
547.39954	54.3
561.09570	2.2
571.39990	4.0
575.15082	2.2
575.38898	2.9
593.39990	8.0
613.34760	55.8
672.42072	46.9
673.43103	4.1
717.39240	20.0
776.46893	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	776.4792
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	4.7
55.05516	39.7
57.03440	15.7
57.07062	4.9
59.05000	2.5
59.68764	1.8
60.08157	4.4
61.02936	5.0
65.03952	4.1
67.05509	100.0
69.03439	4.3
69.07078	17.4
71.05006	4.4
71.07389	3.1
71.52922	3.1
79.05495	52.9
81.03423	5.7
81.07060	62.0
83.04924	4.3
83.08624	15.3
85.02908	13.9
85.06544	2.3
86.09708	26.0
87.04467	4.6
91.03948	3.0
91.05482	30.0
93.07053	45.0
95.04994	9.8
95.08617	44.6
97.02900	7.3
97.06535	6.4
97.10173	20.0
97.14350	1.8
104.10749	3.0
105.07032	21.1
107.04964	5.5
107.08603	30.4
109.06563	2.4
109.10165	46.9
111.04395	2.4
111.08081	4.6
117.07023	8.0
119.08579	18.1
121.06518	3.1
121.10153	21.9
123.04429	4.4
123.08102	3.7
123.11716	4.3
125.00000	15.3
125.09621	17.9
131.08563	11.5
133.10138	10.2
135.08121	2.0
135.11691	12.4
137.09598	4.5
143.10753	2.8
145.10101	16.1
147.11713	8.5
149.09630	3.5
149.13248	8.6
151.11244	2.8
155.10675	2.4
159.11716	5.8
161.13263	3.5
163.11157	5.6
171.11684	2.3
173.11755	11.6
173.13177	4.6
175.14709	2.3
177.12791	2.1
181.12309	3.2
184.07350	85.6
193.12245	3.8
199.13304	8.3
209.11766	5.3
227.12814	6.4
229.14383	32.1
232.28012	1.9
243.21075	2.9
245.14082	2.7
261.14859	2.4
261.22086	16.4
267.15958	3.0
283.15668	2.6
300.15329	2.1
301.16492	23.2
335.25815	72.9
336.26172	5.4
342.31934	2.0
363.25235	2.8
445.49121	2.1
464.18188	2.8
466.21539	3.5
477.35770	12.0
489.35593	16.2
494.43668	1.9
504.22198	2.2
543.36517	4.8
561.37549	18.7
579.38800	5.0
672.42358	4.8
690.34912	8.4
776.42285	22.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	776.479
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	4.9
55.05512	42.2
57.03442	15.7
57.07067	3.3
59.04992	3.4
61.02928	4.5
65.03931	3.5
67.05507	100.0
69.03434	5.3
69.07070	19.2
69.15698	2.9
69.16119	5.1
71.01347	2.1
71.01765	0.8
71.04991	5.8
71.08634	1.4
73.02899	2.5
77.03931	1.0
79.05495	49.2
80.05807	0.9
81.03423	6.4
81.07057	65.3
83.04980	6.1
83.08142	1.3
83.08617	18.0
85.02905	14.9
85.06530	3.5
86.09712	2.5
87.04469	6.3
91.03946	2.5
91.04905	1.2
91.05483	23.7
93.07045	46.9
94.07413	0.8
95.04960	5.6
95.08609	47.5
97.02915	4.1
97.06557	5.1
97.07119	1.0
97.10168	21.5
98.20804	1.6
99.08111	0.9
103.03948	1.3
105.04510	1.0
105.07037	19.0
107.04947	2.7
107.08601	31.6
109.02876	0.8
109.06532	3.0
109.10158	57.7
109.29374	0.8
111.04425	1.2
111.08076	2.8
117.07024	8.1
119.08578	15.9
121.06505	1.8
121.10148	21.0
123.04479	0.9
123.08065	2.7
123.11717	6.1
125.00006	1.2
125.09634	19.3
127.03932	1.4
129.05547	0.8
129.07028	2.2
131.04861	0.7
131.08568	11.8
133.10129	9.9
135.08018	1.1
135.11674	13.2
137.09598	3.9
137.13263	1.2
139.11150	2.7
143.08568	1.9
143.10655	4.1
145.10120	10.2
147.08110	0.8
147.11702	7.8
149.09673	1.3
149.13228	5.4
151.11195	1.3
153.12743	0.9
154.45634	0.8
155.10704	3.8
157.10149	2.7
159.11696	6.3
161.13261	4.6
163.11200	6.3
163.14816	3.3
169.10153	0.7
171.11684	3.2
173.09525	1.8
173.11732	13.0
173.13269	6.3
175.11131	1.5
175.14716	1.5
181.12317	1.7
183.11694	1.2
184.07338	7.0
185.13226	1.9
187.14819	3.0
189.11224	1.7
191.10698	1.6
193.12219	2.2
199.13266	10.6
199.14778	0.7
201.16315	1.2
203.14302	0.8
209.11719	3.0
211.13171	1.2
217.14291	2.1
219.17346	0.9
227.12721	7.7
229.14352	45.7
233.22755	0.9
243.08406	0.9
243.21068	3.5
245.13853	2.7
257.13864	1.3
259.20535	2.8
261.22156	13.2
267.15765	3.8
271.20728	1.0
277.21823	1.0
281.88428	0.8
282.06064	0.8
283.15393	3.3
288.27515	0.8
289.21652	1.4
300.15329	1.2
301.16440	14.8
315.23010	1.2
317.24792	2.3
327.23056	1.1
335.25793	74.7
336.26004	2.4
351.25424	1.2
363.25430	1.5
379.30353	0.8
389.26801	1.2
459.34543	2.1
466.21185	2.5
477.35776	8.9
489.35770	16.7
507.35257	0.8
543.36896	4.0
561.37811	9.1
579.38727	1.8
683.50775	1.0
690.35425	5.6
776.42200	9.6
777.38495	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	776.4777
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	4.9
55.05508	14.7
56.96563	2.9
57.03443	8.5
57.07075	2.1
59.04992	3.6
60.08169	5.6
61.02915	4.0
65.03938	2.3
67.05506	87.6
69.03434	7.7
69.06727	1.3
69.07067	16.7
69.27132	0.9
71.01350	1.5
71.04994	28.9
71.07368	3.5
71.52664	1.5
73.02917	2.1
79.05495	33.6
80.05860	1.0
81.03418	9.2
81.07058	46.9
83.04995	8.2
83.08620	10.7
85.02917	6.0
85.06549	5.1
86.09707	29.2
91.03963	2.4
91.05479	28.7
93.07045	43.5
93.07636	2.4
95.04960	7.7
95.08605	21.7
97.02879	4.5
97.06513	10.3
97.10178	3.3
98.97592	6.8
98.98463	2.9
99.04435	1.4
99.08092	2.2
99.29626	1.1
103.03782	0.9
104.10735	1.8
105.07032	19.6
107.04926	5.6
107.08595	24.7
109.02893	1.4
109.06515	4.3
109.10159	51.1
110.97591	1.4
111.04407	1.2
111.08095	4.7
112.99058	2.4
113.05984	1.2
116.98617	2.1
117.07019	9.6
119.08588	24.1
121.06514	4.7
121.10146	13.1
122.72551	0.9
123.08085	3.2
123.11710	2.6
124.38326	1.0
125.00008	18.2
125.09615	3.1
127.03884	2.8
128.98607	2.1
129.05490	1.4
129.06982	2.2
130.07788	1.1
131.00179	2.1
131.08575	10.7
133.10129	13.3
135.08031	4.5
135.11694	19.5
137.09628	12.8
139.03886	0.9
139.11217	1.1
143.08582	2.3
145.10115	10.1
147.11693	6.7
149.01201	2.0
149.09621	5.7
149.13248	7.3
151.11148	2.9
153.09029	1.1
155.08595	1.1
155.10626	4.0
157.10101	3.0
158.99666	3.5
159.11717	7.7
161.09608	1.9
161.13252	2.9
163.11221	7.2
169.12247	1.7
170.99628	3.6
171.11682	1.9
173.04451	2.6
173.11740	8.2
173.13205	1.8
175.11147	1.2
177.00725	2.2
177.12796	1.4
179.14323	1.9
181.12212	3.6
183.11601	1.1
184.07341	100.0
185.13332	1.4
187.11279	1.7
187.13177	1.6
189.00729	2.5
193.12265	1.8
195.13821	3.1
197.13269	1.1
211.13252	3.2
219.01724	1.5
227.12871	2.0
229.07463	3.3
229.14319	5.8
230.15527	1.1
239.16249	1.3
243.15848	1.9
247.08620	1.1
253.14291	2.3
255.15829	8.7
257.19067	1.9
259.20596	2.1
261.02817	1.5
267.15894	3.0
269.17520	9.0
271.15363	2.2
275.20084	10.0
287.18491	18.1
293.05417	3.2
294.05542	1.1
301.13037	2.7
311.06232	1.2
318.18268	1.1
321.04865	6.4
322.05200	2.0
349.23795	9.5
367.24542	1.7
399.19916	1.3
405.26355	1.8
409.25873	7.2
423.27420	30.7
431.27814	1.7
435.27405	17.2
437.29062	5.7
449.29056	25.2
451.26071	1.1
455.10657	2.3
467.29938	5.0
475.33411	1.4
479.29800	1.6
481.31638	44.1
485.32498	2.3
503.33752	22.8
515.29077	1.1
517.35229	2.2
521.34631	3.0
529.35370	9.0
543.35968	2.6
547.35980	4.0
547.62732	1.3
561.38049	9.1
567.31818	2.2
579.38586	3.6
593.32965	2.7
625.35773	1.3
716.32776	5.8
726.43451	8.0
776.40729	6.5
777.40686	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	776.4778
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	2.2
55.05267	0.7
55.05509	9.0
56.05034	1.3
56.96569	1.0
57.03440	5.3
57.07059	1.2
59.05005	0.9
60.08160	5.5
61.02920	1.5
65.03944	2.0
67.05505	42.8
68.05843	0.4
69.03426	2.9
69.07074	13.0
69.23176	2.6
69.23600	1.3
69.82943	0.4
71.01354	0.6
71.04994	17.1
71.07380	3.3
71.08640	0.7
73.02914	1.0
79.05493	18.1
81.03423	5.7
81.07056	22.5
83.04975	5.1
83.08623	5.1
85.02898	3.4
85.06541	2.0
86.09706	32.7
87.04503	0.8
89.59985	0.5
91.03958	0.7
91.05481	18.4
93.07045	21.5
95.04967	4.8
95.08608	12.9
97.02872	2.5
97.06541	5.5
97.10181	5.4
98.97575	0.5
98.98460	3.5
99.04462	0.8
99.08093	1.2
103.05463	0.5
104.10764	3.2
105.04505	0.8
105.07036	11.8
107.04977	3.2
107.08598	14.3
109.02879	0.9
109.06503	1.9
109.10155	27.8
111.04495	0.8
111.08069	2.8
113.09647	0.7
117.07018	5.6
119.07719	0.4
119.08583	12.6
121.06511	2.1
121.10147	6.7
123.08061	1.5
123.11739	2.0
125.00006	23.0
125.09642	3.4
127.03892	1.4
129.05493	0.9
129.06981	1.8
131.08577	7.3
133.06543	0.6
133.10133	7.9
135.08044	1.9
135.11691	8.2
137.09612	6.2
139.03868	0.5
139.11221	0.5
142.07669	0.5
143.08569	1.6
145.10121	7.0
147.11665	3.8
149.09645	3.4
149.13257	2.5
151.11172	1.3
153.09192	0.6
155.08565	0.9
155.10664	2.2
157.10109	1.7
159.11671	3.9
161.09596	0.6
161.13271	1.6
163.11180	4.3
165.12706	0.5
169.10182	0.7
169.12233	1.3
171.10251	0.4
171.11703	1.5
173.04475	1.1
173.11723	3.1
173.13275	1.3
175.11209	1.2
177.12746	1.3
179.14310	1.1
181.12190	1.2
183.11679	0.9
184.07341	100.0
185.07594	0.4
187.13261	0.6
187.14812	0.5
189.11229	1.3
193.12204	1.0
195.13837	1.1
197.13235	1.1
211.13254	1.9
213.14716	0.9
227.12766	6.7
229.07428	0.6
229.14288	2.0
229.19518	0.5
237.08002	0.5
237.14801	0.5
239.18137	0.5
243.15965	1.7
247.08517	0.6
253.14471	1.0
255.15823	3.1
257.18973	1.9
259.20618	0.5
267.15948	1.5
269.17325	2.1
271.15280	0.9
275.20056	8.6
285.16937	1.3
287.18542	10.3
293.21274	0.8
305.83038	0.5
331.22455	0.7
349.23743	7.4
351.25174	0.6
355.97580	0.4
367.24896	0.5
383.24237	0.9
389.26801	0.4
391.19510	0.5
391.24612	0.5
393.27097	0.5
409.25668	2.0
413.25366	1.8
421.29813	0.6
423.27405	6.7
425.25156	0.6
435.27469	5.9
437.29141	2.8
449.29010	6.6
463.30515	0.5
467.30237	2.2
475.34579	0.5
479.30508	0.5
481.31647	13.9
485.32889	2.8
489.31870	0.6
498.34213	0.5
503.33731	19.5
511.34109	1.1
517.35217	1.9
521.34332	0.8
529.35315	10.1
543.28473	0.7
543.36432	2.4
547.36298	0.9
561.37866	9.8
567.31726	0.6
579.39130	2.1
593.33521	1.1
597.36035	0.7
625.36218	0.5
673.40302	0.6
691.40491	0.6
705.39923	0.5
726.43469	12.6
727.43323	0.6
759.38879	0.7
776.37732	1.4
777.40417	2.4
777.52252	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	775.4236
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	0.8
55.05509	2.2
57.03442	2.1
61.02928	3.9
67.05508	5.8
67.05843	0.5
68.05844	0.3
69.03434	2.8
69.07073	2.7
70.69199	0.5
70.69556	0.4
71.05003	0.7
73.02917	3.2
79.05499	6.0
81.03427	3.2
81.07063	6.3
83.04981	1.3
83.08621	1.1
85.02907	4.5
87.04460	0.3
91.03963	2.5
91.05491	6.0
92.05833	0.3
93.07044	5.6
95.04975	1.9
95.08613	3.5
97.02898	3.6
97.06557	0.9
97.10177	0.6
98.20869	0.3
99.04497	0.9
99.08149	0.3
101.02388	1.6
105.07028	4.3
105.07684	0.3
106.07392	0.4
107.04969	0.8
107.08604	2.7
109.02867	0.5
109.06567	0.8
109.10162	1.7
111.08097	0.3
115.03956	0.6
115.05451	0.4
117.07035	1.4
119.08578	2.7
121.06493	0.5
121.10178	1.1
123.08094	0.7
125.00023	0.3
125.09659	0.4
127.03954	0.9
129.05516	0.3
129.06998	1.4
131.08614	1.1
133.10130	1.5
135.11740	1.2
142.78297	0.3
143.08606	0.8
145.10170	1.0
147.11710	1.9
149.09631	0.5
157.10193	0.4
159.11786	0.5
161.13390	0.7
163.11209	0.7
171.10445	0.2
171.11635	1.2
184.07327	1.3
184.37532	0.3
185.04254	0.5
189.12735	0.4
193.12286	0.6
203.05435	0.4
207.13831	0.3
211.13391	0.5
243.08412	3.3
243.10420	0.3
247.13203	1.1
267.16171	0.4
281.17438	0.3
285.17050	0.3
301.08960	0.4
303.15860	0.5
333.20383	2.4
334.24921	0.4
367.25504	0.3
389.23300	0.5
439.14035	0.3
439.19650	1.0
453.21408	1.0
465.20987	8.7
466.21622	0.3
467.19067	1.1
480.31863	0.4
520.33752	0.5
544.37500	0.4
546.34656	0.5
551.28400	5.5
677.34875	0.5
700.44427	0.3
775.42365	100.0
776.42847	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	775.423
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	0.9
55.05513	3.3
55.12664	0.5
57.03434	2.5
57.07104	0.5
61.02928	5.4
65.03938	0.9
67.05503	8.6
69.03445	3.4
69.07083	3.0
70.06596	0.8
71.04992	0.7
71.53115	0.8
73.02929	3.8
79.05492	7.8
79.40022	0.5
81.03410	3.6
81.07059	8.0
83.04984	1.9
83.08636	1.8
85.02905	6.0
85.06570	0.9
86.09692	1.2
91.03937	3.0
91.05475	6.8
93.07053	6.5
95.04977	2.5
95.08604	4.5
97.02876	4.3
97.06544	0.8
99.04438	0.7
101.02380	1.7
105.07042	5.8
107.04963	1.4
107.08598	2.8
109.02873	0.7
109.06532	1.1
109.10196	1.7
111.08086	0.9
117.07032	1.5
119.08572	3.7
121.10176	2.1
123.08105	1.0
127.03928	1.8
129.07047	0.7
130.05031	0.6
131.08609	1.7
133.10158	2.1
135.11717	1.5
143.08531	1.0
145.10168	1.3
147.10660	0.6
147.11737	2.6
150.74429	0.6
161.13232	0.7
163.03922	0.6
163.11150	1.1
171.11765	1.3
173.13203	0.7
183.38785	0.6
184.07454	2.0
185.07753	0.6
203.05309	0.9
214.45906	0.6
243.08353	3.1
247.13097	1.7
268.56717	0.6
303.15735	0.9
333.20486	1.6
425.38940	0.6
439.19537	0.9
453.21130	2.3
465.20926	10.0
467.18771	0.9
517.80261	1.0
518.30566	0.8
551.28265	5.9
674.09442	0.7
697.68341	0.7
757.37683	1.1
775.42255	100.0
776.42426	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	775.3877
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	0.6
55.05512	2.7
55.83744	0.4
57.03443	1.9
61.02936	3.8
63.29755	0.4
65.03938	0.5
67.05511	5.8
69.03442	3.8
69.07071	3.9
71.01875	0.4
71.04980	1.3
73.02924	2.9
77.38071	0.4
79.05500	4.8
81.03423	4.1
81.07069	4.6
82.07402	0.6
83.04965	1.5
83.08649	1.9
85.02908	3.8
85.06522	0.5
86.09689	0.6
91.03964	1.6
91.05482	4.5
93.07050	5.0
95.04962	1.7
95.08621	3.7
96.08954	0.4
97.02896	4.8
97.06515	1.1
97.10199	1.4
98.97554	0.4
99.04440	1.1
101.02390	1.4
103.03946	0.6
105.07046	3.3
106.07388	0.6
107.04947	1.3
107.08595	3.7
109.02872	0.9
109.06530	0.6
109.10144	1.4
111.08108	0.7
117.07024	1.7
119.08566	2.1
120.08918	0.5
121.06513	0.6
121.10176	1.8
125.00033	0.8
125.06038	0.6
125.09638	1.6
127.03941	1.4
129.07024	0.5
131.08577	1.5
133.10136	1.8
135.08031	0.5
135.11697	4.2
145.10133	3.0
147.11649	0.9
148.11945	0.5
149.09627	0.5
157.10080	0.5
159.11774	0.6
163.11183	4.3
181.12268	0.9
184.07341	3.3
184.31053	0.4
186.25513	0.4
193.12335	0.5
203.05220	0.6
211.13300	0.5
219.09921	1.0
223.13374	1.0
227.12823	3.7
229.07501	0.4
234.08652	0.4
243.08406	4.4
249.11034	6.7
260.80991	0.4
269.17664	0.5
285.16962	0.8
291.19455	1.8
301.08887	0.4
305.13730	2.6
331.18967	0.6
333.20508	0.8
333.24435	0.4
387.21545	0.7
396.68628	0.5
465.21164	1.1
467.18958	13.5
467.93808	0.4
539.20673	0.4
549.26715	6.3
550.27405	0.4
551.28174	0.7
560.36304	0.4
582.25714	0.5
775.38800	100.0
776.38763	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	775.3861
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	1.4
55.05512	2.9
57.03423	2.3
61.02927	4.2
65.03911	0.5
67.05505	9.6
69.03431	3.4
69.07066	4.0
71.01368	0.5
71.05000	1.9
71.53079	0.7
73.02916	4.0
79.05496	7.6
80.05845	0.8
81.03411	3.7
81.07056	7.6
82.03777	0.6
82.07367	0.5
83.04993	2.0
83.08620	1.9
85.02898	5.8
85.06506	0.4
86.09718	0.7
87.04460	0.7
91.03960	3.0
91.05476	7.3
93.07037	7.2
94.07382	0.8
95.04980	2.5
95.08608	5.4
97.02888	4.8
97.06553	1.1
97.10178	1.3
99.04450	1.1
101.02390	1.7
105.07024	5.6
106.07394	0.6
107.04288	0.4
107.04960	1.7
107.08585	5.2
109.02856	0.9
109.06546	1.6
109.10153	4.7
110.10509	0.9
111.04440	0.8
111.08109	1.0
117.07026	2.0
119.08584	4.0
120.08910	0.6
121.06537	0.7
121.10133	1.9
123.08130	1.2
125.09645	0.5
126.97487	0.4
127.03918	1.2
129.05496	0.5
129.07014	2.2
131.08582	1.2
132.08908	0.5
133.10114	3.3
135.08092	0.6
135.11702	3.4
135.18439	0.5
137.09615	0.5
143.08618	0.5
145.10107	2.5
147.08061	0.4
147.11737	2.2
149.09581	0.6
151.11151	0.8
157.10193	0.6
159.11717	0.9
161.09633	0.4
161.13306	0.6
163.11151	3.0
171.11742	1.3
173.11714	0.4
175.11237	0.9
181.12296	0.9
184.07439	0.6
185.04240	0.6
193.12280	1.6
203.05362	0.7
211.13358	1.5
212.13638	0.7
219.10013	0.5
223.13396	1.0
227.12766	2.1
243.08424	3.1
247.13168	1.3
249.11047	3.1
253.14537	0.5
254.14923	0.4
259.08072	0.4
267.16031	0.5
273.18466	0.6
285.16989	1.0
287.18619	0.7
291.19467	2.3
292.20035	1.6
293.20703	0.5
305.13687	1.2
315.10742	0.6
331.18878	1.0
333.20419	1.2
365.23654	0.7
366.23779	0.9
371.16806	0.6
451.19623	0.9
460.89532	0.4
465.20947	6.8
467.18961	7.9
480.31055	0.5
519.33307	1.4
520.33502	4.4
531.25684	0.5
534.35254	0.7
539.21149	1.5
545.34705	0.7
546.35175	2.9
549.26794	1.3
551.28278	3.3
560.36871	0.6
578.37854	2.3
677.32208	1.5
757.37500	2.9
775.41083	100.0
776.40759	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	775.1708
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03428	1.4
61.57028	0.6
62.05537	0.6
67.05500	1.2
69.03417	2.3
70.06581	1.1
70.84621	1.0
70.84944	0.9
81.03415	1.3
82.46378	0.6
83.04961	2.3
85.02894	2.0
87.68389	0.6
95.04945	0.7
97.02891	1.1
109.02871	1.3
111.04445	1.6
119.04933	0.8
121.02887	0.8
123.04420	2.3
137.02351	17.6
137.03366	1.0
139.03926	1.3
147.04407	0.8
163.03922	1.9
167.07027	0.9
169.02882	0.6
189.05275	0.7
207.02913	0.7
209.74585	0.6
213.05518	1.0
231.02866	0.7
241.04990	0.9
245.04373	1.5
256.06070	0.8
257.04398	1.2
265.05048	1.3
269.04352	1.1
270.05249	0.9
271.05984	0.8
273.03928	2.4
285.03885	2.9
291.06430	0.7
293.04489	4.4
294.05215	2.9
295.05838	1.0
297.03925	1.1
299.05585	1.1
315.06393	1.9
318.05057	0.7
319.05972	1.0
323.05334	1.0
329.08023	1.6
331.06046	1.3
333.07599	2.0
335.05487	1.2
343.06042	2.9
347.05527	1.7
349.06952	1.0
351.04935	3.7
357.07584	2.0
359.05353	1.5
361.07098	6.1
363.04752	1.0
371.05359	2.3
375.08829	1.5
377.06659	4.8
378.07312	0.8
381.08109	0.7
385.07077	2.9
387.04828	1.1
388.05792	0.9
389.06540	19.4
390.07275	1.1
392.05200	9.5
393.05893	4.1
399.09045	0.8
401.06516	1.3
403.08209	6.8
405.06049	58.2
406.06754	8.7
407.07623	7.1
413.06631	2.5
414.07315	1.0
415.08591	0.7
417.05908	14.5
419.07800	2.1
421.05527	1.8
425.72644	0.8
427.08032	2.5
429.06070	2.3
430.06766	1.4
431.07715	35.4
433.05423	12.0
435.07138	100.0
436.07568	2.2
443.07672	2.2
445.04828	2.5
445.10370	5.7
447.07101	0.9
451.06519	5.8
455.07596	2.3
459.07141	22.0
459.13431	1.4
463.06619	48.3
464.07068	1.5
471.07138	8.7
473.08820	3.8
481.07635	8.7
483.07019	6.2
485.09039	0.8
487.06573	9.4
489.08170	4.1
499.06436	1.5
501.08099	13.2
505.07678	2.8
511.06668	1.8
517.07709	2.4
519.09222	5.4
529.07501	5.5
535.08704	1.1
537.10242	7.8
547.08960	6.3
565.09961	5.1
583.11359	2.3
623.14111	3.3
625.11920	9.6
637.11450	4.2
655.12854	22.7
679.13110	4.4
691.12732	5.6
703.12689	3.6
709.14124	3.1
721.14130	6.2
739.14941	3.9
757.16394	4.3
775.16876	0.8
800.19287	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	774.5639
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05035	0.8
57.07069	0.1
58.06635	0.4
59.07392	0.1
59.20306	0.1
60.08164	6.3
67.05497	0.2
70.06576	0.1
70.77267	0.2
70.77602	0.2
71.07375	3.5
71.08631	0.2
73.53716	0.1
76.55830	0.1
77.61073	0.1
79.05496	0.1
81.07059	0.2
82.81175	0.1
86.09707	30.0
93.07047	0.2
95.08595	0.1
98.98466	3.1
104.10743	2.2
105.07050	0.1
107.08502	0.1
108.16349	0.1
125.00005	20.5
143.01071	0.2
166.02628	0.1
174.83784	0.1
184.07341	100.0
185.07724	0.5
215.26210	0.1
264.55490	0.1
407.06622	0.1
496.34012	0.2
602.54712	0.1
689.05231	0.1
756.55334	7.3
757.55011	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	774.4996
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	2.8
55.05270	1.6
55.05515	18.3
55.37037	0.9
57.03441	18.0
57.07073	1.4
57.48577	0.9
57.87754	0.8
61.64075	1.0
65.03940	2.3
67.05507	57.1
69.03438	3.1
69.07069	13.1
70.65556	0.9
71.04997	3.3
73.02896	0.9
79.05496	40.2
81.03420	78.4
81.07059	56.7
83.04989	6.3
83.08625	20.3
84.43029	0.8
85.02905	2.2
85.06561	1.4
91.05484	32.0
93.07048	42.7
93.60088	1.0
95.04976	25.1
95.08611	37.5
97.02885	1.5
97.06533	4.0
97.10137	5.3
99.08121	1.3
102.99226	0.8
103.05444	1.1
105.04539	1.5
105.07030	23.2
107.04958	5.9
107.08601	23.1
109.06522	4.4
109.10160	18.4
111.08094	7.3
115.05440	1.6
117.07030	7.6
119.04954	1.5
119.08588	21.8
120.52182	1.0
121.06527	2.3
121.10152	23.3
123.04445	2.0
123.08072	2.5
123.11716	9.0
125.09641	3.9
129.07016	9.2
131.08585	13.9
133.06520	2.9
133.10133	12.0
135.08078	1.5
135.11697	11.2
137.05949	1.0
137.09593	2.1
137.13284	1.1
141.19803	0.9
142.07782	3.1
143.08553	3.0
145.10139	9.4
147.08101	1.9
147.11687	11.2
149.09633	4.0
149.13243	6.8
157.10129	9.7
159.11678	7.8
161.09801	1.1
161.13266	5.3
163.11234	2.0
163.14819	2.9
165.12793	1.8
169.10132	1.3
171.11641	1.7
173.13275	6.0
175.11201	7.2
175.14871	2.7
177.12729	1.3
177.16385	1.6
183.11731	1.3
184.07326	1.8
185.13133	1.1
187.14789	2.3
189.11252	3.3
193.12270	17.8
201.16359	1.2
207.13681	1.1
211.13306	1.5
217.69002	1.0
224.63319	1.0
225.82126	0.9
227.12820	6.6
233.22635	1.4
235.13341	2.2
243.15959	1.2
243.21062	6.0
249.14865	2.3
259.13092	1.4
261.22168	19.4
267.15927	100.0
268.16162	2.2
279.22952	1.4
285.22064	1.7
288.11636	1.1
301.14435	1.5
301.22318	1.1
301.25180	5.4
309.17010	1.8
317.24857	2.9
335.25815	93.9
336.26047	1.7
359.26050	1.0
421.25833	2.2
435.27414	2.3
435.32596	6.0
453.33481	7.9
463.30057	1.2
471.34564	4.3
475.30853	1.5
509.36163	1.3
527.37341	69.7
528.37561	2.1
545.38397	59.7
546.38678	1.6
559.39337	1.8
569.38745	4.6
577.40399	1.2
587.39142	1.0
623.39514	1.3
635.39691	2.1
671.41516	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	774.4634
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	9.0
55.05512	18.0
55.55378	1.9
57.03444	10.9
57.07076	3.0
59.05002	1.9
61.02913	3.0
65.03937	3.6
67.05508	100.0
69.03423	5.7
69.07070	18.3
70.06584	1.9
71.04995	37.3
71.08562	2.0
79.05149	1.7
79.05494	43.7
81.03414	9.4
81.06586	4.4
81.07056	63.2
83.04988	14.2
83.08595	10.1
84.22890	2.2
85.02899	6.6
85.06544	8.9
86.09693	6.0
90.58669	1.8
91.03936	2.1
91.05486	57.0
93.07047	53.5
95.04964	12.2
95.08611	33.9
97.02894	3.7
97.06532	8.8
97.10154	4.4
98.20628	3.6
99.04460	2.4
99.08076	3.7
105.07034	35.6
107.04964	8.9
107.08592	36.8
109.06514	5.9
109.10159	72.0
111.04467	4.2
111.08089	6.1
117.07025	10.5
119.08585	26.5
121.06487	6.6
121.10159	16.1
123.08095	5.4
123.11701	8.9
125.00016	6.1
125.09617	3.6
129.07004	5.3
131.08542	12.1
133.06499	4.8
133.10139	59.5
135.08060	5.5
135.11694	17.2
137.09633	12.6
143.08568	5.8
145.10123	12.0
147.08069	2.8
147.11673	5.8
149.09663	4.4
149.13300	3.3
151.11203	27.1
155.10696	3.3
157.10138	4.2
159.11728	4.8
161.09607	3.8
161.13261	3.1
163.11168	6.1
169.12289	3.2
171.11754	4.5
173.09625	2.6
173.11801	3.9
175.11145	3.3
177.09157	2.3
181.12221	3.9
184.07358	22.3
191.10776	2.7
211.13361	7.1
215.12851	3.4
227.12810	5.0
229.07407	2.7
243.15962	3.6
245.19087	2.4
253.14363	76.7
255.15804	3.8
263.19980	2.6
269.17368	5.2
273.18503	13.9
275.20111	4.6
283.15421	2.3
285.17035	4.5
287.18506	24.0
291.19547	15.1
314.48251	2.1
347.22092	5.6
365.23309	14.5
367.24808	2.2
407.24109	4.9
417.45554	2.0
439.26913	22.5
451.26593	4.1
465.28085	2.6
479.29916	3.6
483.29666	5.6
496.28311	2.5
501.32092	8.6
519.33185	46.9
527.33813	3.7
533.34552	10.2
545.34741	23.2
559.35907	7.3
577.37366	44.7
683.82404	2.3
739.69202	2.2
774.41833	3.0
775.38794	6.0
807.37598	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	774.4629
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	16.7
55.05268	3.2
55.05513	40.9
57.03439	21.1
60.08134	2.7
61.02914	8.9
65.03934	6.8
66.87499	2.2
67.05505	88.4
69.03425	14.5
69.07071	40.6
69.68802	1.9
71.05003	11.1
71.07408	2.4
71.53081	2.5
73.02925	5.2
79.05494	86.2
81.03419	92.6
81.07058	100.0
83.04983	29.6
83.08621	45.0
85.02901	34.1
85.06532	5.5
86.09702	14.0
91.05482	86.8
92.28791	2.4
93.07047	71.6
95.04969	38.5
95.08607	40.3
97.02879	14.2
97.06527	20.8
97.10152	22.4
99.04434	3.0
99.08080	3.0
103.05463	4.0
105.07030	68.6
107.04977	18.3
107.08595	56.8
109.02887	4.0
109.06540	15.8
109.10152	22.9
111.04454	4.2
111.08078	18.3
113.06004	5.3
115.05431	4.6
117.07025	21.8
119.08582	57.6
121.06499	8.0
121.10139	29.3
123.04422	2.4
123.08092	3.6
123.11758	5.6
124.99995	9.4
125.09667	16.5
127.03922	7.7
127.07565	2.3
128.06158	2.5
129.07004	19.9
131.08574	38.4
133.06517	5.7
133.10130	43.5
135.08017	8.8
135.11671	16.6
137.09650	6.8
142.07730	4.5
143.08553	5.0
145.10107	20.2
146.10512	2.3
147.08044	6.7
147.11679	29.6
149.09619	30.9
149.13229	10.5
151.11200	3.9
153.09138	2.1
155.08673	2.5
157.10139	22.4
159.11699	15.2
161.13266	6.4
163.03880	3.0
163.11139	15.8
165.12741	8.3
171.11656	5.3
173.04556	3.5
173.13274	6.5
175.11171	23.9
177.12772	5.3
183.11678	4.8
184.07352	47.8
185.13321	3.6
187.11153	3.7
187.14836	3.1
189.11214	9.5
193.12231	53.9
195.11833	2.6
195.13828	2.8
207.11801	2.5
211.13278	78.1
211.15280	4.3
227.12804	25.0
228.13176	3.1
229.19353	2.5
239.17989	3.2
247.20564	3.4
253.14355	3.6
255.15976	9.3
257.19092	10.8
267.15909	33.3
269.17490	24.9
275.17438	1.7
275.20062	47.1
283.15323	2.6
285.16943	73.1
293.17877	2.5
293.21164	5.3
331.22507	4.8
347.22043	2.6
349.23761	49.9
366.35092	2.4
367.24466	3.8
413.21982	3.0
437.25369	3.8
439.26843	3.9
447.27335	9.1
449.30374	2.6
455.26221	4.9
461.29016	26.4
465.28473	11.6
479.29996	61.7
499.30243	3.0
541.35260	29.2
559.36298	69.4
577.36981	9.1
623.34290	3.3
774.37622	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	773.5194
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01890	3.6
55.05517	26.6
57.03432	17.2
57.07069	7.6
61.02919	14.6
65.03929	4.9
67.05507	85.9
69.03427	10.7
69.07073	31.2
69.20153	34.3
71.08619	5.2
73.02933	5.0
79.05498	71.0
81.03404	5.1
81.07057	96.9
83.04986	3.8
83.08610	13.4
85.02892	16.9
86.09708	20.6
91.03941	5.2
91.05480	73.3
93.07047	83.0
93.21992	3.5
95.04955	8.3
95.08605	68.1
97.02849	11.7
97.10184	8.9
99.08051	4.6
101.64907	4.2
104.10748	3.8
105.07034	74.8
107.08602	58.5
109.06512	4.0
109.10163	30.5
117.07026	30.1
119.08587	61.6
121.10162	39.4
123.08092	4.9
123.11707	9.7
125.00000	11.2
129.06998	14.0
131.08582	43.5
133.10132	48.1
135.11673	31.8
141.07072	3.8
143.08559	13.6
145.06516	4.4
145.10162	28.8
147.11690	37.9
149.13268	13.4
155.08578	8.3
157.10162	23.0
159.11696	31.5
161.13246	26.9
163.14832	7.1
169.10136	7.0
171.11674	25.1
173.13229	22.1
175.14809	15.6
181.10117	4.4
182.31783	3.9
183.11699	4.9
184.07343	68.4
185.07674	6.6
185.13243	18.4
187.14828	9.5
197.13228	5.4
199.14833	12.4
209.13245	5.9
211.14774	4.4
231.21236	4.7
241.19537	29.0
243.21086	5.6
257.18967	9.6
259.20551	51.2
261.22101	10.6
266.39758	4.0
333.24246	41.6
335.25797	73.0
376.18665	4.0
385.23727	6.2
412.08746	4.1
425.45523	4.9
491.69519	5.0
499.32288	3.7
499.39944	4.6
593.45239	11.9
611.46655	100.0
701.47211	7.8
719.48169	5.1
755.50269	7.1
773.51556	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	773.44
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	0.8
57.03407	0.9
57.07073	2.1
60.08163	1.3
61.02921	2.3
67.05503	3.2
69.03436	1.2
69.07093	1.1
69.52773	0.8
71.07368	0.8
71.08633	1.0
73.02927	0.8
76.56978	0.7
79.05469	0.9
81.03420	2.0
81.07059	2.8
83.08590	0.8
85.02905	1.5
86.09717	7.9
87.10056	0.8
91.03974	1.8
91.05473	1.1
93.07040	0.9
95.08627	1.9
97.02892	2.6
98.20727	1.3
98.98455	0.9
105.07073	0.9
107.08605	1.6
109.10165	3.5
119.08646	0.9
121.10198	0.7
124.99986	4.8
141.02263	0.8
173.11740	1.6
184.07347	22.4
185.07681	2.4
229.14824	0.8
249.77989	0.9
275.54031	0.8
318.68231	0.7
413.17688	6.4
497.30719	4.1
517.21252	0.9
520.75659	0.8
620.19183	0.9
669.41809	42.5
670.42419	1.3
773.44397	100.0
774.44897	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	773.4431
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	0.7
60.08152	0.7
61.02914	1.2
67.05507	3.5
69.07050	0.9
70.08287	2.4
71.08627	0.8
79.05488	1.1
81.07053	2.6
85.02914	1.6
86.09704	3.0
91.03954	0.7
91.05484	1.7
93.07046	2.6
95.08593	2.0
97.02924	0.8
105.07037	2.1
107.08622	1.0
109.10152	1.9
113.72086	0.5
119.08601	0.8
123.11704	0.7
125.00044	2.8
131.08609	1.3
133.10167	1.0
136.29048	0.6
147.11678	1.0
149.13368	0.5
167.86244	0.6
173.13306	0.6
173.99989	0.6
174.46570	0.5
184.07352	8.8
185.07771	1.6
194.69662	0.6
197.13321	0.6
259.20758	1.2
333.24271	0.8
335.25699	0.9
336.49728	0.6
398.59372	0.6
413.17899	1.9
497.31146	1.0
611.46844	1.8
669.41864	15.8
692.12231	0.7
773.44427	100.0
774.44531	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	773.4088
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	0.8
55.05511	2.3
57.03432	1.8
60.08156	0.5
61.02929	3.7
61.46691	0.4
65.03945	0.4
67.05506	6.1
69.03418	3.0
69.07069	2.2
69.85655	2.4
70.06689	0.4
71.05000	1.4
73.02910	3.3
79.05492	6.0
81.03436	3.2
81.07056	5.9
83.04969	2.2
83.08623	1.6
85.02905	4.5
86.09718	2.0
87.04471	0.5
91.03953	2.7
91.05484	5.8
93.07056	4.0
95.04980	2.0
95.08624	3.6
97.02899	3.9
97.06547	0.9
97.10191	0.6
99.04453	0.7
101.02399	1.6
105.07032	4.6
107.04991	1.7
107.08602	3.7
109.02873	1.1
109.06531	1.2
109.10186	1.6
111.04444	0.5
117.07019	0.9
119.08596	2.3
119.84198	0.5
121.06552	1.0
121.10143	1.2
125.00006	1.1
127.03951	1.1
129.07030	1.2
129.85019	0.5
131.08583	1.0
133.06583	0.5
133.10159	3.5
135.08069	0.6
135.11748	0.9
137.09586	0.5
143.08612	0.9
145.10167	1.3
147.11685	2.4
157.10257	0.7
161.09642	1.1
161.13281	0.5
163.11121	0.6
165.12776	0.5
171.11710	1.5
175.11238	0.5
184.07378	4.1
185.04314	1.0
185.07744	0.6
189.12885	0.7
193.12299	0.9
203.05235	0.6
207.14177	0.4
243.08405	3.5
247.13177	1.3
260.84161	0.5
273.18399	0.6
281.17389	0.6
299.15091	1.2
301.09302	0.5
313.17798	0.9
319.25613	0.5
331.18909	1.8
332.18988	0.6
335.25803	1.0
357.15018	0.7
451.19714	1.2
465.20981	10.6
480.06989	0.5
531.25903	1.2
537.23120	1.5
548.47156	0.5
549.27063	2.6
576.39911	0.7
675.33643	2.5
704.33868	0.6
755.39636	8.4
773.40796	100.0
774.40765	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	773.4082
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	0.8
55.05514	2.7
57.03436	1.7
57.87019	0.5
60.78114	0.5
61.02928	4.2
67.05510	4.8
69.03427	3.2
69.07069	3.0
69.39381	4.2
70.06617	1.0
72.08157	0.5
73.02921	3.0
79.05502	5.3
81.03423	2.9
81.07045	4.5
82.98479	0.6
83.04984	0.9
83.08631	1.8
85.02904	3.9
86.09721	0.6
91.03972	1.3
91.05473	4.1
93.07050	4.7
95.04958	1.6
95.08618	2.1
97.02885	3.6
97.06554	1.0
97.10190	1.9
98.21545	0.8
99.04469	0.6
101.02375	1.2
105.07014	2.9
107.04967	0.9
107.08614	2.6
109.02910	0.9
109.10183	1.7
117.07001	0.9
119.08578	2.5
121.06512	0.5
121.10180	0.6
123.08047	0.7
125.09637	1.2
127.03937	1.0
129.07013	1.1
131.08632	0.7
133.10149	1.6
143.08601	0.9
145.10109	1.0
147.11720	1.8
161.09682	0.7
161.13220	0.7
171.08789	0.6
171.11687	1.2
184.07381	1.6
223.13368	1.7
243.08383	4.2
247.13071	1.6
268.70126	0.5
281.17310	0.5
291.19458	2.5
331.18994	1.4
395.18906	0.6
465.20950	8.1
476.88782	0.6
532.26300	0.6
537.22876	0.5
549.26556	5.3
627.09210	0.7
773.40765	100.0
774.41309	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	772.5485
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05038	0.6
57.07080	0.2
58.06638	0.4
59.04998	0.1
59.07388	0.1
60.08167	6.4
67.05515	0.2
68.34951	0.1
69.07056	0.1
69.80321	0.3
69.80731	0.2
70.06579	0.1
71.07375	3.7
71.08627	0.1
83.08619	0.1
86.09708	32.2
87.10067	0.1
89.38564	0.1
91.05518	0.1
95.73287	0.1
98.98465	3.4
104.10738	2.1
105.07028	0.1
125.00008	21.5
137.66542	0.1
166.02713	0.2
169.30826	0.1
184.07344	100.0
185.07697	0.5
214.53094	0.1
496.34192	0.2
498.29596	0.1
588.97052	0.1
628.18835	0.1
658.08679	0.1
731.93488	0.1
754.53778	6.2
755.53839	0.3
772.53589	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	772.5481
Annotation	Unknow
Peak:m/z	Relative Intensity
55.99684	0.1
56.05030	0.8
57.07055	0.2
58.06611	0.4
60.08163	6.4
67.05466	0.1
70.06603	0.2
71.06982	0.2
71.07368	3.3
71.08340	0.1
71.08657	0.2
86.09702	32.4
87.10010	0.1
91.05485	0.1
93.34088	0.1
94.06583	0.1
98.98463	3.4
104.10738	2.8
110.06030	0.1
125.00001	20.7
127.29985	0.1
143.01042	0.2
163.01443	0.1
166.02690	0.2
179.14343	0.1
184.07333	100.0
185.07729	0.5
214.46211	0.1
338.35519	0.1
496.33981	0.2
589.47870	0.1
754.53430	0.2
772.54797	10.0
773.55121	0.4
785.33441	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	773.2132
Annotation	Quercetin 3-rhamnosyl-(1->6)-glucosyl-(1->6)-galactoside
Peak:m/z	Relative Intensity
55.01851	0.2
57.03438	1.8
61.02919	0.6
66.82949	0.2
68.99796	0.4
69.03439	1.5
70.83286	0.3
70.83608	0.3
71.04995	8.5
73.02902	0.4
75.04464	0.5
81.03400	0.9
81.03841	0.3
83.04974	1.2
85.02908	15.0
86.03237	0.2
87.04475	0.3
91.03936	0.3
95.04987	0.3
97.02884	1.8
99.04462	0.3
109.02862	0.8
111.00788	0.7
111.04442	0.8
121.02858	0.8
127.03911	1.5
129.05487	4.0
137.02348	2.1
145.04958	1.3
147.06532	2.4
149.02348	0.4
153.01811	2.4
163.03905	0.3
163.06035	0.2
165.01811	1.6
166.02577	0.3
173.06056	0.2
183.02852	0.7
186.42950	0.2
201.05457	1.1
228.04214	0.2
229.02872	0.4
229.04971	3.4
247.06009	0.6
255.08635	0.2
257.04404	1.7
274.04758	0.6
278.35098	0.2
285.03964	1.0
303.04993	100.0
304.05347	1.9
345.06293	0.4
465.10287	2.1
473.18082	0.2
483.01974	0.2
522.88843	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	772.4479
Annotation	Unknow
Peak:m/z	Relative Intensity
53.81949	1.0
55.01875	7.5
55.05268	1.3
55.05515	17.4
56.96562	1.1
57.03440	9.7
57.07076	1.4
59.04994	1.2
61.02927	2.5
63.38811	1.2
65.03938	3.1
67.05507	45.5
67.16103	1.0
68.05836	1.2
69.03423	4.5
69.07074	22.1
70.63708	1.5
70.64031	1.7
71.04992	6.3
73.02906	2.8
79.05498	47.6
81.03424	11.5
81.07063	54.6
83.04987	9.9
83.08628	14.0
85.02908	5.0
85.06541	3.5
87.57871	1.0
91.04910	1.6
91.05486	29.5
93.07047	60.5
94.07404	1.1
95.04987	10.5
95.08614	46.3
97.02903	7.5
97.06536	14.0
97.10169	4.3
99.04451	5.2
99.08081	1.2
103.05467	1.7
105.04508	1.1
105.07041	23.3
107.04965	13.5
107.08601	45.5
109.02872	1.3
109.06518	8.0
109.10153	9.6
111.04473	2.6
111.08086	4.4
113.06004	1.2
113.09684	1.0
115.07591	0.9
117.07023	16.4
118.06505	1.4
119.08579	22.2
120.94365	1.0
121.06535	9.0
121.09318	1.9
121.10146	18.9
121.10944	1.9
122.72923	0.9
123.08107	2.2
123.11722	2.4
125.05952	3.9
125.09631	3.2
127.03885	1.0
129.07004	5.0
130.07780	1.3
130.49854	1.0
131.08589	11.8
133.10150	16.8
135.08073	7.1
135.11705	52.9
137.09619	2.1
139.07541	2.3
141.07002	1.3
143.08557	2.5
145.10132	37.2
147.08080	1.5
147.11678	6.8
149.09622	8.1
149.13251	6.8
151.11209	2.8
153.12788	2.7
155.08522	2.1
157.10170	2.5
157.49159	1.0
159.11696	8.1
161.13254	2.7
163.11192	63.2
171.11630	2.3
173.04555	1.2
173.13261	2.9
175.11278	1.8
177.12762	3.5
179.14243	2.4
181.12250	11.8
184.07332	3.1
185.13162	1.4
189.11272	1.0
193.12251	1.8
195.13834	3.6
209.11766	1.7
211.13246	1.3
223.13232	1.1
227.12788	71.9
229.07489	3.6
239.18005	1.9
247.20592	1.5
248.42838	1.0
253.14362	1.3
255.15845	9.8
257.19034	4.1
267.15921	2.8
269.17505	28.9
269.20206	2.0
273.18591	1.3
275.20096	15.0
283.15417	61.0
284.12927	1.3
291.19543	2.3
293.21124	1.2
299.14722	1.6
321.14432	1.5
331.22595	1.9
333.24210	1.6
349.16827	1.5
349.23709	20.6
365.23007	1.5
367.24753	5.7
370.18182	2.9
391.19315	1.5
413.21628	1.7
437.25369	2.0
461.28671	1.1
463.26990	20.7
475.46350	1.1
477.28503	100.0
478.28809	2.9
539.34009	1.1
557.34723	27.3
575.35675	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	772.4474
Annotation	Unknow
Peak:m/z	Relative Intensity
53.99831	0.8
55.01878	6.7
55.05275	1.3
55.05515	19.0
56.27491	0.7
57.03442	10.0
57.07070	1.7
59.04994	1.8
59.09178	0.7
61.02927	2.7
65.03934	3.3
67.05507	44.5
68.05824	0.8
69.03424	6.9
69.07069	25.3
71.01345	1.2
71.05005	4.3
71.52142	1.0
71.52526	0.9
73.02917	1.9
79.05496	48.8
81.03421	10.0
81.07056	51.2
83.04984	9.6
83.08623	15.1
85.02891	3.3
85.06536	2.2
91.05486	32.8
93.07046	66.0
94.07362	1.1
95.04973	13.1
95.08607	50.9
97.02883	6.1
97.06530	15.0
97.10168	8.5
99.04454	6.3
99.08069	1.5
103.05453	2.1
105.04540	1.6
105.07034	26.8
107.04961	14.0
107.08596	51.9
109.02885	1.1
109.06516	6.9
109.09465	1.1
109.10163	11.9
111.04441	2.2
111.08066	3.5
113.05992	1.3
113.09642	0.9
115.05424	1.8
117.07018	18.8
119.08585	23.0
120.09087	0.8
121.06518	10.2
121.10148	25.9
123.04353	0.7
123.08070	3.0
123.11703	1.4
125.06012	3.8
125.09641	9.7
127.03900	0.9
129.05467	1.6
129.06982	3.3
130.07780	2.8
131.08580	12.8
133.06500	1.5
133.10123	15.1
134.10463	1.2
135.08069	5.5
135.11694	65.0
135.89168	0.8
137.09639	2.5
139.07571	2.6
141.06989	1.9
143.08566	4.2
145.06427	1.0
145.10126	43.7
147.08025	1.1
147.11671	6.1
149.09636	10.8
149.13266	4.5
151.11171	1.7
153.09117	0.8
153.12749	0.9
155.08568	1.5
157.10201	3.6
159.11685	8.1
161.09641	0.8
161.13220	2.8
163.11182	77.3
165.12718	1.0
169.10103	1.5
171.10165	1.3
171.11662	2.6
173.04439	1.2
173.09615	2.4
173.13231	4.2
175.11234	2.1
177.12814	1.8
179.14314	2.7
181.12247	11.9
183.11720	1.3
184.07368	2.7
185.13342	0.9
187.11079	1.4
187.14787	1.5
189.11162	4.2
193.12212	1.3
195.13826	1.0
197.13246	1.3
209.11699	2.6
215.17940	0.8
227.12784	100.0
228.13159	0.9
229.14281	2.0
229.19510	1.4
239.17857	2.3
247.20621	1.1
251.16423	1.3
253.17982	1.3
255.15909	7.2
257.19006	7.8
267.15979	4.5
269.17477	13.6
275.20071	24.9
276.20502	0.9
283.15393	67.6
284.15683	0.8
291.19553	2.9
293.21097	2.8
309.20511	1.2
313.21478	0.8
320.13855	0.9
331.22623	5.2
349.23740	39.1
365.23221	2.0
367.24808	2.2
379.21268	1.1
384.32672	0.8
421.25659	0.9
437.25244	2.0
453.24786	3.5
461.29013	1.9
463.26877	17.2
477.28479	60.2
517.31769	2.4
529.34930	1.0
539.33783	2.6
541.34814	1.0
557.34778	53.2
558.35419	1.2
575.35736	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	772.4323
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	10.8
55.05513	33.7
57.03439	22.7
57.07079	1.6
59.05007	28.5
65.03937	3.0
66.26989	1.4
67.05508	81.7
69.03425	7.3
69.07076	12.3
71.01366	2.5
71.04996	19.7
77.03955	2.0
79.05495	48.0
81.03423	100.0
81.07061	47.7
83.04993	18.1
83.08623	27.3
85.02899	6.2
85.06554	4.1
87.04473	30.6
91.05489	43.0
93.07050	31.9
95.04977	35.8
95.08617	17.9
97.02916	7.6
97.06528	10.6
97.10175	23.0
99.04449	8.5
99.08143	1.4
103.05469	2.9
105.07032	28.4
107.04968	21.5
107.08595	26.2
109.06522	9.9
109.10163	52.9
111.04466	9.5
111.08094	13.6
115.05412	2.9
117.06995	9.3
119.04945	2.6
119.08586	32.1
121.02844	5.4
121.06533	9.2
121.10156	27.6
123.04443	7.7
123.05240	1.4
123.08064	5.5
123.11716	1.7
125.06004	2.1
125.09631	15.3
129.07018	18.3
131.04897	2.8
131.08580	22.1
133.06509	5.5
133.10124	13.9
135.04413	7.1
135.08032	7.1
135.11734	7.5
135.12578	1.3
137.05977	3.5
137.09653	6.6
139.07568	1.9
141.07002	1.5
142.07770	4.7
143.08595	4.3
145.06482	5.0
145.10126	10.2
147.04419	4.7
147.08063	11.1
147.11687	18.3
148.52911	1.3
149.05981	4.3
149.09631	20.3
151.07524	2.2
153.09100	8.3
153.12720	11.0
155.08589	3.5
155.10684	5.8
157.06468	2.0
157.10165	16.9
159.11700	2.4
161.06030	5.0
161.09648	1.5
163.07535	2.3
163.11194	14.6
165.12735	3.6
167.03174	1.3
167.10692	1.9
169.10147	2.2
171.10222	2.7
171.11720	3.4
173.04396	1.3
173.06027	2.0
173.09648	5.1
173.11745	9.9
173.13098	2.3
175.11165	17.0
181.12225	6.8
182.20276	1.5
185.13272	3.1
187.11247	1.7
189.11230	7.2
189.12724	2.1
191.10672	6.0
193.12245	46.7
197.15396	3.1
199.13164	6.9
201.12718	1.5
203.14290	3.7
205.12198	2.5
207.13741	2.3
209.11696	12.4
211.13297	47.6
213.12584	1.4
217.14325	3.6
219.13821	2.9
221.15410	1.9
223.13339	3.4
225.14790	12.4
227.10793	2.2
227.12787	16.5
229.05675	1.5
229.12181	3.1
229.14352	34.9
231.13815	4.1
235.13290	5.1
241.14398	2.7
243.13829	1.9
247.13329	6.6
249.14902	16.7
251.12729	2.8
253.14326	1.9
254.24936	1.4
259.13284	3.3
263.16446	2.7
267.15921	58.2
273.14825	3.5
275.12817	2.3
277.14520	2.5
283.15427	15.1
285.14282	1.9
309.16849	2.1
315.18094	5.5
319.20880	2.8
326.63654	1.7
333.19138	1.7
334.51028	1.5
337.21664	3.8
347.19897	1.9
355.22705	7.8
365.21078	9.4
373.23712	6.6
383.22141	21.7
401.23328	23.7
409.25937	3.1
415.24902	5.0
419.24405	3.0
421.25928	29.9
422.25922	1.9
429.26334	1.8
433.25803	9.5
447.27380	3.7
457.25925	10.4
475.26947	30.0
489.28424	3.7
493.28061	7.6
507.29559	23.0
525.30573	10.6
567.20459	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	772.4321
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	9.3
55.05511	34.0
57.03435	20.3
57.07059	1.3
59.05001	28.8
61.02918	1.6
65.03940	3.8
67.05505	93.1
69.03442	7.2
69.07064	14.0
69.28607	10.0
69.29010	2.8
71.01342	3.8
71.04991	21.1
74.32487	1.1
79.05495	53.5
81.03419	100.0
81.07055	48.5
83.04975	17.2
83.08622	34.7
85.02904	6.8
85.06544	7.0
87.04470	30.9
91.05485	51.5
91.05922	1.1
93.07042	37.5
95.04971	39.4
95.08610	22.2
97.02882	8.7
97.06524	11.1
97.10171	22.8
99.04453	9.1
99.08101	2.4
103.05411	1.5
105.07030	30.6
107.04297	2.2
107.04960	21.6
107.08597	29.3
109.02896	2.5
109.06522	11.6
109.10154	53.3
111.04439	14.0
111.08082	15.2
113.05991	1.3
115.05439	2.2
117.07040	10.3
119.04952	2.6
119.08581	29.1
121.02898	4.8
121.06536	10.5
121.10145	22.2
123.04454	7.2
123.08068	6.1
123.11681	2.6
125.02312	1.6
125.06010	3.3
125.09621	19.9
127.03925	1.3
128.06261	1.7
129.07011	16.2
131.04938	3.4
131.08568	25.2
133.06493	7.0
133.10132	15.5
135.04428	6.5
135.08058	8.1
135.11681	10.1
137.05992	5.2
137.09659	7.3
139.07533	1.4
141.06998	1.9
142.07776	4.1
143.08566	4.9
145.06529	2.4
145.10123	12.8
147.04436	4.4
147.08051	6.6
147.11681	22.7
149.06003	1.6
149.09633	21.6
151.11145	2.4
153.09131	7.3
153.12784	10.6
155.08598	2.8
155.10706	6.2
157.06491	1.3
157.10138	19.5
159.08018	2.2
159.11687	3.6
161.05986	5.3
161.09633	2.9
163.11192	15.8
165.12761	3.7
167.10704	3.8
169.10089	3.2
171.10162	2.8
171.11653	2.9
173.09685	3.9
173.11789	8.8
173.13115	2.6
175.11180	19.8
177.12665	2.2
181.09987	2.2
181.12312	8.4
183.11670	2.9
185.13239	3.2
187.07578	1.5
187.11192	3.2
189.11195	13.4
189.12721	2.8
191.10689	11.9
193.12251	67.5
195.11671	2.2
197.15384	2.3
199.11565	1.2
199.13226	6.4
203.14406	2.7
205.12282	4.2
207.13840	1.6
209.11745	11.7
211.13281	55.2
213.12775	3.2
217.12302	3.2
217.14442	2.5
219.10155	1.9
219.13828	3.7
221.15401	2.8
223.13377	2.7
225.14835	15.7
227.12733	22.3
227.14619	1.8
229.12257	2.8
229.14339	42.3
231.13794	5.3
233.11771	1.4
235.13348	4.1
241.14305	3.7
247.13298	9.4
249.14864	20.2
253.14406	2.4
259.13199	3.3
263.16443	2.2
265.14526	1.6
267.15921	80.1
273.14783	3.8
275.12799	2.8
277.14304	3.0
279.16113	1.7
283.15424	18.5
295.15491	1.6
301.14273	3.5
309.16974	4.0
315.18033	5.3
333.18979	1.9
337.21799	7.0
347.19849	2.9
355.22635	10.1
365.21136	10.4
373.23672	5.8
383.22159	30.6
397.23557	1.6
401.23239	23.4
409.25775	2.6
415.24683	5.8
419.24103	4.6
421.25879	32.7
429.26410	1.6
433.25900	9.1
439.24915	1.8
447.27158	3.6
457.25885	7.4
463.26804	2.3
475.26910	28.7
489.28485	5.5
493.28043	8.7
507.29526	24.7
517.28424	1.5
525.30566	11.8
529.27954	2.7
638.41339	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	770.4681
Annotation	Unknow
Peak:m/z	Relative Intensity
54.07540	2.2
55.01867	6.8
55.05514	23.5
57.03443	12.3
57.07064	3.3
64.19833	2.5
65.03940	4.8
67.05508	79.3
68.05860	3.3
69.03422	7.0
69.07074	27.9
69.36723	20.4
71.05000	7.3
71.08630	4.9
73.02896	3.0
73.06552	2.9
75.18516	2.7
79.05495	100.0
81.03414	14.6
81.07062	75.3
83.04984	17.8
83.08633	14.1
84.97067	2.5
85.02901	3.6
85.06547	5.3
86.09715	3.1
91.05485	86.9
92.05833	4.6
93.07046	89.6
93.07640	5.1
94.07374	4.0
95.04985	16.4
95.08600	42.1
96.08964	2.6
97.02904	3.0
97.06554	14.9
97.10174	4.9
99.08093	5.8
105.04500	4.0
105.07037	65.2
106.07401	2.9
107.04956	14.6
107.08599	35.1
109.06514	7.8
109.10165	16.2
110.10487	3.9
111.08120	4.9
115.55608	2.9
117.07014	22.6
119.08584	48.2
121.06507	4.9
121.10155	16.0
123.08091	9.1
125.09633	2.9
128.06233	4.5
129.07010	18.2
131.08553	18.3
133.10136	32.7
134.10468	5.5
135.08076	4.4
135.11707	9.9
143.08559	14.4
145.10138	22.9
147.08032	4.3
147.11690	45.2
149.09648	8.9
149.13297	7.8
151.11269	6.8
152.11453	2.8
157.10155	3.1
159.11673	13.3
160.12151	2.2
161.09633	4.4
161.13263	20.9
163.11223	5.6
169.10074	5.4
171.11681	28.5
173.04469	3.0
173.13313	6.8
175.14879	3.4
177.12814	2.8
184.07362	7.2
185.13271	5.0
186.42018	2.7
189.11275	2.9
189.12694	14.0
207.13783	23.7
211.14839	3.3
213.50021	3.0
227.12785	2.6
231.21185	3.1
241.19595	7.0
253.14450	8.1
254.14696	4.4
257.19019	5.9
259.20538	17.8
269.17453	8.1
273.18658	4.1
275.20154	11.7
279.15759	3.4
281.17480	52.8
282.18051	4.4
293.21124	8.0
301.69843	2.4
313.21924	2.6
333.24167	14.1
335.25821	3.1
349.23383	5.1
367.24646	3.8
447.32535	3.5
475.30585	41.7
478.28204	3.4
539.37317	24.3
555.36560	9.6
557.38275	10.1
573.37256	16.3
611.46436	5.3
697.52112	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	771.5042
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	1.5
55.05268	0.7
55.05514	9.9
57.03442	4.4
57.07087	1.9
61.02931	12.9
63.61980	0.4
63.96336	0.4
65.03938	1.2
67.05509	19.4
69.03435	7.4
69.07072	8.7
69.15646	0.5
69.15978	4.3
69.69411	0.4
71.01361	0.9
71.04991	1.2
73.02925	7.6
79.05499	12.7
81.03432	3.2
81.07062	19.2
83.04990	1.3
83.08624	4.3
85.02913	11.0
85.06540	1.4
86.09721	0.6
91.03957	5.7
91.05486	11.9
93.07051	13.8
95.04979	1.8
95.08614	16.1
97.02904	9.8
97.06554	2.0
97.10178	3.4
99.04435	0.8
99.08112	0.9
101.02409	2.0
105.07038	12.2
107.04990	0.6
107.08599	9.8
109.02911	0.8
109.06507	1.2
109.10169	7.0
111.04416	0.6
111.08083	1.4
115.03918	0.6
115.05455	1.2
115.71442	0.4
117.07022	6.9
119.08588	11.4
121.10148	5.4
123.08112	0.8
123.11755	2.1
125.09621	1.0
127.03925	2.3
128.06209	2.1
129.05511	0.9
129.07011	7.8
131.08578	10.7
132.09384	0.5
133.10149	8.2
135.08028	0.7
135.11703	3.4
137.09613	0.5
137.13274	1.2
141.07004	3.5
142.07761	2.1
143.08569	12.0
144.09256	0.5
145.05006	0.7
145.10129	9.9
147.11690	5.0
149.09612	0.5
149.13264	1.7
153.07043	1.1
154.07773	1.0
155.07402	0.7
155.08574	8.6
155.35988	0.4
156.09354	1.5
157.10138	10.4
159.11694	7.2
161.13298	2.3
163.14848	0.9
166.07780	0.9
167.08578	4.9
168.09343	1.6
169.08813	0.4
169.10127	10.9
170.10851	0.6
171.11691	9.9
173.13252	5.1
175.14819	1.6
177.16443	0.6
179.08568	1.4
180.09375	1.1
181.10143	5.7
182.11006	1.0
183.11711	9.3
184.07384	1.3
184.12469	0.6
185.13263	6.9
186.13835	0.5
187.11240	0.5
187.13448	0.5
187.14848	2.8
189.12688	0.5
189.16414	0.8
191.08638	0.4
193.10153	1.7
194.10887	0.6
195.11728	6.9
195.13469	0.7
196.12485	0.7
197.13284	8.4
199.13275	0.6
199.14864	3.5
201.16478	0.9
203.18060	0.5
205.10185	0.6
207.11787	2.5
208.12326	0.4
209.13303	4.9
211.14844	5.2
213.16510	2.9
215.17944	0.6
217.15924	0.5
219.11734	0.5
221.13284	2.7
223.14839	4.3
225.16440	3.5
226.39586	0.4
227.17996	1.5
229.19131	0.4
233.13336	1.0
235.14832	1.8
237.16411	2.4
239.18066	2.6
241.19633	0.6
247.14812	1.0
249.16399	1.7
251.17972	1.9
253.19617	1.0
255.21231	0.6
261.16354	0.9
263.17944	0.8
265.19556	1.4
267.21115	0.9
271.20602	0.5
277.19446	0.6
281.18661	0.4
283.20444	0.6
293.18979	0.5
295.20529	0.6
295.23996	0.5
297.22171	0.7
299.20023	0.4
307.20288	0.6
309.22150	0.7
311.23630	1.0
313.21893	0.5
313.25140	0.5
321.22021	0.7
323.23569	0.8
325.21454	0.7
327.23306	0.6
335.23471	0.8
337.25226	1.3
339.23087	0.7
341.24844	0.5
349.25140	1.1
351.23029	0.6
351.26849	0.8
361.25214	0.7
365.28470	1.0
367.26312	0.6
369.27576	0.6
377.28323	0.5
379.30173	0.9
391.29974	0.5
393.32098	0.6
407.29227	0.5
421.31006	0.7
425.30551	0.7
447.32715	0.6
449.34396	0.8
461.33566	0.8
465.33374	0.6
475.34821	0.7
501.35495	0.6
513.35797	0.6
517.40540	4.8
521.36255	0.8
523.37225	0.9
525.35590	0.6
527.37219	0.8
535.41772	3.0
539.36945	2.0
541.38892	0.8
553.38843	0.5
567.40259	0.6
573.42859	1.0
591.44153	5.6
607.42969	1.4
609.45172	100.0
610.45465	3.6
611.46466	0.6
621.44873	1.3
633.44580	0.9
651.45856	1.0
717.47223	0.7
735.47791	1.2
750.51740	0.5
753.49231	1.9
771.51160	18.9
772.50494	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	770.4681
Annotation	Unknow
Peak:m/z	Relative Intensity
53.85051	1.5
55.01872	11.5
55.05269	2.3
55.05512	29.1
57.03439	12.2
57.07082	1.5
59.04996	2.3
61.02920	1.7
64.59623	1.5
65.03936	4.1
67.05505	83.2
69.03412	4.4
69.06728	2.4
69.07068	28.0
70.56597	4.6
71.04974	5.8
77.03924	2.9
79.05494	100.0
80.05831	1.6
81.03415	21.6
81.07056	82.2
83.04975	20.2
83.08613	14.9
85.02889	5.0
85.06532	5.4
86.09721	1.6
91.05481	78.9
92.92160	1.5
93.07044	91.6
95.04964	23.2
95.08610	42.3
97.02895	4.4
97.06531	18.4
97.10178	8.1
99.08074	2.0
99.57047	1.4
103.05418	1.8
105.04504	3.1
105.07034	57.3
107.04959	14.1
107.07877	2.5
107.08592	41.8
109.02867	1.8
109.06517	9.2
109.10158	16.3
111.08060	4.1
115.05443	3.0
117.07022	18.4
119.08572	38.8
121.06499	7.3
121.10146	15.2
123.08068	6.1
123.11645	3.5
125.09602	6.6
127.03889	4.1
127.07507	1.8
128.06233	3.4
129.07005	16.0
131.08566	19.7
133.06348	1.6
133.10133	25.8
135.08032	4.2
135.11700	15.5
137.09587	2.4
141.06946	1.9
143.08540	10.7
145.06505	1.8
145.10121	27.4
147.08058	4.0
147.11694	38.7
149.09624	15.5
149.13257	6.6
151.11131	3.8
155.08629	3.2
157.10069	3.5
158.44023	1.4
159.11726	10.8
161.09616	4.2
161.13249	13.8
163.11203	15.7
169.10135	3.2
171.10283	2.8
171.11694	25.3
173.04431	2.7
173.13242	6.9
177.12630	3.5
179.14221	1.6
181.12331	1.5
183.11769	2.5
184.07346	1.8
189.11234	3.1
189.12737	9.8
207.13803	25.9
218.90793	1.6
224.81236	1.8
225.14854	3.1
227.12747	21.8
229.19438	2.7
253.14392	10.8
255.15871	4.8
257.19064	8.9
269.17502	9.4
273.18427	2.3
275.16934	1.9
275.20050	36.2
276.20471	1.7
281.17471	76.4
282.17941	1.8
283.15384	5.8
291.19577	3.2
293.21161	3.0
331.22546	3.4
345.75693	1.5
349.19727	2.4
349.23697	24.2
365.23282	3.1
367.24744	2.3
377.23175	2.7
435.27237	5.0
444.34479	1.5
451.26877	3.9
457.29214	1.6
459.30701	2.0
461.28961	28.9
475.30588	99.8
479.26208	4.1
515.34357	2.1
537.35895	3.2
555.36896	59.6
556.37006	1.8
573.37488	9.1
619.34192	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	770.4325
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	5.8
55.05513	19.5
57.03440	4.8
57.07071	0.8
59.04989	1.5
61.02920	1.5
65.03942	2.0
67.05505	28.7
69.03426	7.0
69.07066	24.8
69.07348	0.5
70.06585	0.6
71.04976	3.4
73.02900	1.4
79.05491	32.5
81.03420	7.3
81.07064	23.2
81.07499	0.6
83.04975	5.8
83.08617	11.9
83.92640	0.6
85.02898	2.2
85.06520	0.9
85.82463	0.6
91.05479	20.9
93.07044	38.1
95.01292	0.9
95.04962	9.0
95.08606	33.3
97.02895	8.5
97.06551	5.9
97.10170	11.4
99.04463	3.7
99.08099	0.7
103.05469	1.7
105.07027	16.6
107.04958	12.7
107.07871	1.5
107.08595	29.4
109.06543	4.0
109.10156	8.8
111.04463	1.6
111.08081	2.0
113.06034	1.0
115.05464	1.1
117.07018	11.8
119.04956	0.9
119.08584	16.7
121.06519	6.6
121.10146	11.9
123.08064	2.1
123.11719	1.1
125.05993	2.0
125.09638	8.5
129.07030	3.0
130.07803	1.3
131.08586	5.0
133.06512	2.0
133.10126	8.4
134.07294	1.1
135.08034	3.8
135.11691	38.0
136.12025	0.7
137.06021	0.7
137.09604	1.5
139.07547	1.5
143.08548	3.4
145.10121	26.7
147.08032	4.8
147.11714	4.3
149.09641	2.0
149.13319	1.2
153.12753	0.7
157.10149	2.5
159.07939	0.7
159.11682	2.1
161.09616	3.0
161.13319	0.9
162.77092	0.7
163.11177	47.0
165.09097	0.9
169.10173	0.6
171.11732	2.4
173.09601	1.3
173.11809	1.1
173.13226	1.0
175.11194	1.9
177.12730	1.0
179.10651	1.3
179.14288	0.7
181.12209	7.0
184.07285	1.5
185.13222	0.7
188.78915	0.8
189.11253	2.2
189.12775	1.3
193.12366	1.1
195.13718	0.8
205.12367	0.8
207.13828	1.3
209.11855	1.1
218.38162	0.8
223.13284	11.8
227.12779	57.3
228.13228	1.2
229.29868	0.8
245.19173	0.9
249.14912	3.0
257.19009	0.9
259.86826	0.7
267.15933	1.6
273.18472	10.7
275.20013	4.0
281.17438	3.3
283.15387	55.9
291.19540	59.4
292.19757	1.0
299.14880	3.3
304.37857	0.7
347.22119	3.2
349.23776	2.3
363.21811	0.8
365.23230	48.3
451.26913	1.5
453.24750	1.4
475.27048	1.2
493.28000	2.0
555.36292	5.5
573.34204	100.0
574.34338	3.8
753.84497	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	768.5093
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	32.5
57.03204	3.3
57.03438	20.3
57.07081	39.8
59.05011	26.6
61.02917	3.4
61.82303	3.1
67.05509	55.0
67.09175	3.0
67.38937	2.7
69.07075	16.8
69.39315	13.6
69.39727	5.1
71.04991	11.9
71.08640	33.6
71.56458	2.6
79.05496	17.5
81.03431	8.5
81.07058	34.4
83.04987	6.1
83.08610	16.5
85.02934	3.6
85.10199	17.0
86.09715	10.8
87.04471	37.7
91.05486	9.7
93.07032	8.3
95.08615	26.2
97.02891	4.9
97.10195	27.6
99.04457	23.8
107.08604	9.0
109.10165	40.6
119.08596	6.6
121.10197	3.7
123.11671	3.6
125.00022	10.0
125.09626	18.8
135.11678	4.3
145.10121	3.6
147.07947	2.7
151.77472	2.7
155.10641	3.4
163.11179	6.6
164.27046	2.6
171.63837	2.3
173.11749	10.7
181.12227	3.0
184.07330	39.1
185.07739	7.4
191.68378	2.4
197.44579	3.0
199.13289	25.8
209.11740	3.3
227.12839	6.9
229.14406	43.1
239.23727	5.1
241.14301	6.5
257.24686	3.0
267.15903	3.7
283.15631	3.3
313.27390	100.0
314.27649	5.1
315.18030	21.1
320.57324	3.0
333.19055	3.8
341.26910	8.0
344.36050	2.5
437.36243	10.4
455.37317	57.3
467.37354	62.1
553.40833	5.3
571.41492	7.0
718.48761	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	768.5096
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	1.8
55.05513	20.0
57.03441	17.3
57.07078	32.9
59.04706	2.4
59.05004	38.0
61.02922	2.9
67.05508	65.0
69.03428	2.3
69.07071	9.4
69.44936	2.9
69.45341	7.2
71.04979	7.2
71.08636	26.0
79.05499	10.0
81.03429	6.7
81.07058	27.0
83.04956	1.9
83.08618	14.3
85.02909	6.4
85.06556	2.4
85.10187	14.2
86.09718	2.7
87.04473	63.9
89.06058	1.3
91.03947	1.4
91.05479	7.0
93.07037	5.1
95.04986	2.9
95.08611	22.3
97.02898	4.0
97.10178	13.1
98.20765	2.6
99.04455	8.1
99.08102	1.5
105.07042	2.1
107.04971	1.5
107.08607	5.8
109.10159	58.6
109.68883	1.4
111.08080	4.0
119.08603	5.5
121.10151	2.3
123.11700	2.8
125.09666	7.4
127.03970	2.1
137.09651	2.2
137.13260	1.8
145.10095	2.1
147.08273	1.2
153.32054	1.4
155.10693	4.0
163.11205	1.8
166.36633	1.2
173.11760	23.4
184.07356	5.0
191.10680	1.4
193.12276	1.8
199.13383	8.1
227.12872	1.9
229.14362	59.7
239.23718	4.2
241.14301	1.6
257.13925	2.0
267.15897	4.0
304.09171	1.4
313.27377	84.7
314.27838	3.2
315.18091	8.2
341.26959	6.1
374.83417	1.5
437.36411	1.9
455.37244	13.1
467.37350	100.0
468.37515	2.2
505.38925	1.7
553.41077	1.8
673.61420	1.5
768.43829	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	768.5093
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	32.5
57.03204	3.3
57.03438	20.3
57.07081	39.8
59.05011	26.6
61.02917	3.4
61.82303	3.1
67.05509	55.0
67.09175	3.0
67.38937	2.7
69.07075	16.8
69.39315	13.6
69.39727	5.1
71.04991	11.9
71.08640	33.6
71.56458	2.6
79.05496	17.5
81.03431	8.5
81.07058	34.4
83.04987	6.1
83.08610	16.5
85.02934	3.6
85.10199	17.0
86.09715	10.8
87.04471	37.7
91.05486	9.7
93.07032	8.3
95.08615	26.2
97.02891	4.9
97.10195	27.6
99.04457	23.8
107.08604	9.0
109.10165	40.6
119.08596	6.6
121.10197	3.7
123.11671	3.6
125.00022	10.0
125.09626	18.8
135.11678	4.3
145.10121	3.6
147.07947	2.7
151.77472	2.7
155.10641	3.4
163.11179	6.6
164.27046	2.6
171.63837	2.3
173.11749	10.7
181.12227	3.0
184.07330	39.1
185.07739	7.4
191.68378	2.4
197.44579	3.0
199.13289	25.8
209.11740	3.3
227.12839	6.9
229.14406	43.1
239.23727	5.1
241.14301	6.5
257.24686	3.0
267.15903	3.7
283.15631	3.3
313.27390	100.0
314.27649	5.1
315.18030	21.1
320.57324	3.0
333.19055	3.8
341.26910	8.0
344.36050	2.5
437.36243	10.4
455.37317	57.3
467.37354	62.1
553.40833	5.3
571.41492	7.0
718.48761	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	768.51
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	3.7
55.05515	33.8
57.03439	18.7
57.07078	41.0
59.05003	24.6
60.08168	1.3
61.02923	3.7
67.05506	58.3
68.14479	1.0
69.03445	5.2
69.07066	12.1
69.33623	8.6
71.01347	1.1
71.04997	9.2
71.08634	31.3
79.05496	14.9
81.03401	7.2
81.07057	29.0
83.04966	3.6
83.08618	18.8
85.02913	6.4
85.06544	3.4
85.10183	17.7
86.09708	2.1
87.04469	42.6
89.06039	2.5
91.03969	1.1
91.05472	5.7
93.07034	4.9
95.04957	2.8
95.08610	27.9
97.02895	4.3
97.06566	2.1
97.10168	24.4
99.04459	24.8
103.07588	1.7
105.07039	3.2
107.04985	2.1
107.08592	9.4
109.10159	48.7
111.04456	3.0
111.08086	1.9
111.11776	1.3
115.03979	1.4
117.07045	2.0
118.20291	1.0
119.08580	5.0
121.10136	1.3
123.08089	1.1
123.11699	4.4
125.00011	2.0
125.09633	18.5
133.10172	2.0
135.11664	2.8
137.09627	2.7
143.10709	1.9
143.62689	1.2
145.10118	2.4
148.38860	1.1
153.12790	1.6
155.10643	2.9
163.11226	3.8
169.85654	1.2
173.11742	11.8
184.07324	11.5
186.12846	1.1
193.12239	3.1
199.13293	19.3
209.11813	3.1
223.13324	2.5
227.12724	8.1
229.14354	48.1
239.23808	7.4
241.14334	7.0
257.13763	2.0
267.15961	4.5
268.16330	1.9
283.15576	5.3
313.27371	100.0
314.27759	3.8
315.18036	12.2
341.26718	5.8
437.36270	9.9
452.43216	1.2
455.37363	38.8
456.37793	1.6
464.53589	1.4
467.37366	57.9
483.36896	1.2
505.38794	3.0
506.38919	1.2
539.39532	2.7
553.40704	5.5
571.41809	5.4
593.15698	1.3
768.47021	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	768.4529
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	7.3
55.05516	24.2
57.03432	8.6
57.07077	2.5
61.02907	2.5
65.03932	4.6
67.05509	81.6
69.03424	4.7
69.07078	20.8
71.05006	3.5
71.52366	2.8
77.03899	2.7
79.05496	88.3
81.03421	12.7
81.07057	71.1
83.04975	18.7
83.08604	9.1
85.02890	3.0
85.06543	7.6
91.05485	83.5
93.07046	78.5
95.04977	22.6
95.08604	32.1
97.02881	3.6
97.06530	6.1
97.10156	4.6
105.04539	5.4
105.07033	70.9
107.04954	13.8
107.08598	38.5
109.06512	12.2
109.10159	40.9
111.08105	5.0
115.05416	2.7
117.07005	11.0
119.08580	31.0
121.06499	12.8
121.10168	12.5
123.08078	7.6
123.11707	6.2
125.09659	2.7
129.06995	19.8
130.07776	2.3
131.08562	14.3
133.06496	5.0
133.10132	62.8
135.08055	9.4
135.11674	7.4
137.05911	3.0
137.09595	4.1
142.07861	2.4
143.08577	13.7
145.10135	17.5
147.08015	4.7
147.11679	30.3
149.09645	8.6
151.11179	22.6
155.08536	3.0
157.10168	4.0
159.11684	4.5
161.09673	11.2
161.13211	12.5
163.11121	4.3
171.11697	22.8
175.11241	4.2
179.10696	2.8
179.14174	3.1
184.07280	4.1
185.13245	2.2
187.11127	2.3
189.12689	10.2
191.86238	2.2
207.13774	24.4
215.12764	2.2
245.18958	4.5
251.12804	4.1
253.14355	88.3
255.17360	6.2
263.19861	3.0
273.18506	29.2
281.17477	54.4
281.20352	4.0
291.19583	39.7
292.19858	2.9
309.20538	2.2
346.72812	2.8
347.22278	13.4
365.23178	26.1
475.26642	3.2
477.28427	28.5
529.38544	3.0
553.35266	19.8
571.36279	100.0
572.36584	4.3
589.36646	2.9
609.44751	7.5
627.45099	2.9
768.44513	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	768.4526
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	3.6
55.05272	1.4
55.05512	19.0
55.38889	1.0
57.03436	4.8
59.04990	1.2
65.03928	1.7
67.05502	34.9
69.03442	5.1
69.07070	17.8
71.04982	2.7
71.53460	1.9
77.03934	1.0
79.05494	37.8
81.03426	8.6
81.07053	28.3
83.04991	8.6
83.08616	6.4
85.02905	1.6
85.06530	2.7
91.04905	1.5
91.05479	33.3
93.07040	36.9
95.04977	10.8
95.08604	16.3
97.02897	7.6
97.06518	3.5
97.10157	8.1
105.04506	1.4
105.07034	23.4
107.04987	8.4
107.08585	14.6
109.02834	1.1
109.06513	3.6
109.10136	6.2
111.08054	1.8
115.05517	1.0
116.21558	0.9
117.07012	7.3
119.07801	1.8
119.08582	18.7
121.06496	3.2
121.10130	4.1
123.08080	5.1
125.09618	6.4
128.06221	2.1
129.07018	9.7
131.08585	6.1
133.10117	7.2
135.08058	1.7
135.92491	1.1
137.09644	2.0
143.08534	6.9
145.10110	8.9
147.08038	5.8
147.11682	16.6
149.13290	1.8
157.10072	2.3
159.11650	2.5
161.09592	2.9
161.13173	4.8
161.41603	1.1
163.11179	2.0
169.10150	1.0
171.08202	1.2
171.11678	12.2
173.13301	1.5
173.84644	1.1
175.11238	1.2
177.12646	1.2
184.07402	1.3
184.73611	1.0
185.13359	1.1
189.11278	1.0
189.12747	5.4
193.12227	1.0
207.13808	12.1
223.13295	11.5
225.14851	1.3
227.12750	4.0
232.02890	0.9
245.19102	1.5
249.14799	2.5
263.16461	1.2
273.18439	10.8
281.17468	47.1
291.19534	66.4
347.22104	2.6
365.23212	26.8
385.02127	1.0
395.52460	1.0
473.28931	4.0
543.36755	1.3
553.35089	3.5
571.36285	100.0
572.36249	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	766.5227
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	0.2
56.05038	0.5
57.03437	0.3
57.07072	0.5
58.06639	0.4
60.08167	5.8
67.05507	0.5
68.34078	0.1
69.07082	0.2
70.06590	0.1
71.07378	2.6
71.08634	0.5
72.34843	0.1
74.31454	0.1
74.47620	0.1
79.05493	0.3
81.03428	1.3
81.07053	0.6
83.04981	0.1
83.08625	0.4
85.06518	0.1
85.10178	0.2
86.09708	29.4
87.10053	0.2
91.05487	0.4
93.07035	0.2
95.04980	0.4
95.08613	0.4
98.20725	0.3
98.98468	2.5
104.10141	0.2
104.10757	2.1
105.06998	0.3
109.10144	0.3
119.08588	0.3
125.00008	18.4
129.06964	0.2
131.08540	0.2
147.11621	0.1
157.10117	0.2
175.11102	0.2
184.07344	100.0
185.07718	0.6
193.12271	0.4
261.30167	0.1
267.15930	1.5
308.12537	0.1
313.27377	0.9
313.30545	0.1
341.30472	0.4
467.37421	0.1
505.39020	0.7
506.39157	0.2
533.41968	0.5
716.48608	10.5
717.48468	0.5
766.41730	0.4
778.57208	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	765.4396
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	0.6
55.05519	1.1
57.03432	2.0
57.07082	0.7
61.02925	4.9
67.05509	5.3
69.03414	2.4
69.07071	1.7
71.04989	3.1
73.02931	2.5
79.05496	3.9
81.03419	1.7
81.07054	4.0
83.04978	0.5
91.03970	2.5
91.05469	3.5
93.07043	4.0
95.04950	0.7
95.08598	2.2
95.82495	0.5
97.02901	4.4
97.06566	0.9
97.10225	0.7
99.04462	1.0
101.02374	1.5
103.03968	0.8
105.07045	2.0
107.08576	2.6
109.02924	0.8
109.06541	0.4
109.10141	3.5
117.07060	0.6
117.27859	0.5
119.08601	2.5
121.10158	1.2
127.03979	1.2
131.08614	1.0
133.10150	1.4
135.11714	1.9
137.09645	1.2
145.10150	1.4
147.11705	0.9
169.12358	0.8
173.11880	0.6
178.79034	0.5
184.07292	0.7
185.04176	0.5
211.52844	0.5
228.27094	0.4
236.51683	0.4
243.08475	3.0
247.08661	0.5
253.14156	1.3
259.20551	0.8
273.78760	0.4
301.09100	1.5
315.10672	1.3
317.21143	0.7
351.17618	0.6
373.23782	0.7
385.19553	0.6
390.56339	0.5
465.21271	0.8
471.22031	10.6
487.21524	0.7
535.28851	6.6
543.24127	1.2
602.16504	0.6
765.43945	100.0
766.44312	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	764.515
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05521	11.2
57.03445	15.6
57.07079	29.3
59.04992	3.2
60.08162	1.8
60.25713	1.3
60.70972	1.7
61.02912	2.1
65.33562	1.8
67.05507	47.5
69.03437	3.0
69.07063	12.7
69.14783	17.6
71.05002	3.5
71.08633	21.8
72.08096	1.4
79.05501	12.1
80.74344	1.5
81.03422	10.6
81.07059	23.3
83.04970	2.2
83.08627	10.7
85.02890	7.3
85.06558	3.2
85.10202	15.0
86.09682	6.3
87.04472	2.1
89.06007	3.1
91.05489	9.4
93.07045	10.7
95.04975	6.0
95.08607	20.5
97.02880	3.7
97.06486	2.1
97.10159	5.2
105.07029	4.7
107.04990	7.9
107.08593	5.2
109.06499	5.3
109.10157	47.1
111.08064	2.8
117.06982	3.7
119.08585	8.0
121.06500	5.5
121.10148	2.5
123.08073	2.1
123.11743	4.4
124.99987	2.5
125.09629	1.8
131.08572	2.8
135.11636	4.0
137.09612	2.1
145.10123	3.4
155.10645	3.6
159.11679	3.2
163.11206	1.8
169.10092	3.9
173.11716	9.6
177.12752	3.5
184.07333	16.0
187.11160	3.2
191.10732	1.9
205.12172	4.2
223.13383	10.3
223.15147	1.9
223.18729	1.6
229.14366	68.4
254.46219	1.9
257.24844	3.2
279.15924	3.1
283.15381	2.1
297.16977	32.6
301.16464	3.2
313.27359	100.0
341.30408	4.7
467.37329	49.4
517.38818	2.5
535.39911	22.2
567.42523	4.2
764.49158	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	763.4601
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	1.2
55.01886	0.8
55.05510	3.2
57.03437	2.3
57.07074	1.0
59.22931	0.6
59.94081	0.5
61.02927	6.8
61.52488	0.6
67.05508	8.2
69.03419	2.8
69.07066	2.9
69.36709	3.9
71.01372	0.8
71.04991	2.5
71.08621	0.6
73.02917	4.5
75.52866	0.6
79.05501	5.0
81.03417	2.7
81.07062	6.6
83.04979	0.9
83.08634	1.5
85.02919	7.6
85.06573	1.0
86.09702	1.0
91.03952	3.6
91.05471	2.8
93.07047	4.8
94.14700	0.8
95.05018	1.0
95.08607	4.8
97.02905	5.6
97.10207	1.0
98.21546	1.1
99.04455	0.9
101.02415	2.0
105.07062	2.1
107.08589	3.4
109.06577	0.9
109.10189	2.0
119.08617	1.1
121.10168	2.6
123.11721	0.8
127.03957	1.3
131.08594	1.8
132.88121	0.7
133.10164	2.0
135.11713	1.7
145.10185	0.8
149.13315	1.3
161.13481	0.7
163.11241	0.7
184.07397	2.1
185.04233	0.9
232.71349	0.6
236.56197	0.6
243.08427	2.9
267.15842	2.2
301.16595	1.6
302.16974	0.7
325.27594	0.7
335.26178	0.8
339.29050	0.9
340.29196	1.6
423.23511	1.1
485.23370	4.1
519.29346	7.9
548.40033	1.0
565.41266	0.9
589.61487	0.7
621.48773	0.7
701.33966	0.7
763.46021	100.0
764.46350	4.7
775.80365	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	763.3744
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	0.7
55.01867	0.9
55.05507	1.2
57.03434	2.1
59.05005	0.6
61.02924	3.6
67.05508	3.0
69.03433	3.1
69.07063	1.0
70.06588	1.6
71.01360	0.7
71.05000	1.5
71.16918	0.3
71.17287	0.7
72.08162	0.7
73.02914	3.0
79.05504	3.7
81.03418	3.4
81.07053	3.0
83.04993	1.0
83.08602	1.1
84.04521	0.4
85.02897	4.2
87.04462	0.8
91.03966	2.1
91.05479	3.3
93.07046	3.4
95.04979	1.5
95.08622	1.9
95.19201	0.3
97.02889	5.0
97.06546	1.4
97.10164	0.6
99.04478	1.0
101.02401	1.4
103.03941	0.4
105.07032	1.7
107.04998	0.7
107.08597	1.7
109.02889	0.9
109.06557	0.6
109.10184	1.4
111.04433	0.8
111.08083	0.8
114.98925	0.3
117.07033	0.4
119.08577	1.8
121.06520	1.2
121.10167	2.2
123.04463	0.8
125.06052	0.4
127.03944	1.4
130.05025	0.7
131.08580	2.0
133.10124	1.8
135.04431	0.8
135.11734	0.9
137.06076	0.5
139.03944	0.5
145.10184	0.8
147.04378	0.5
147.11714	1.1
149.09618	1.8
157.10173	1.1
157.14148	0.4
161.06004	0.7
163.03929	1.8
163.11220	0.8
165.09201	0.4
173.09633	0.4
175.11241	0.8
177.05521	0.9
181.12325	0.5
185.04214	0.6
187.11147	0.5
193.12303	1.1
197.15331	0.4
209.11702	0.5
215.10675	0.5
217.03885	0.4
225.14934	0.5
243.08479	1.5
267.12143	0.7
267.16037	1.2
283.15149	3.3
285.13129	1.3
323.14835	0.4
339.17963	0.8
427.19568	0.9
439.19882	0.4
443.19009	0.9
457.20288	0.8
469.20703	0.5
485.20026	6.4
493.15463	0.5
501.15952	0.7
501.23099	11.9
503.20929	3.2
554.94574	0.4
607.19312	0.4
619.25848	0.7
673.29443	1.2
685.34357	0.5
687.36353	0.4
701.33270	0.4
703.35345	0.6
745.35748	5.3
763.36761	100.0
764.37531	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	762.4914
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	0.2
56.05035	0.7
57.03425	0.1
57.07072	0.1
58.06364	0.2
58.06643	0.4
60.08167	6.3
61.02924	0.3
63.57623	0.2
67.05510	0.8
69.03451	0.2
69.07068	0.2
70.06607	0.2
71.07378	3.3
71.52397	0.2
73.02923	0.1
79.05505	0.3
80.97455	0.1
81.03411	0.2
81.07065	0.7
83.08619	0.2
85.02910	0.2
86.09710	29.4
87.10014	0.2
91.05486	0.3
93.07049	0.3
95.08606	0.4
95.50745	0.1
97.02888	0.3
98.98467	2.8
104.10746	1.6
105.07040	0.3
107.08627	0.2
109.10178	0.2
121.10210	0.1
125.00011	19.6
131.08577	0.1
133.06551	0.1
143.01076	0.2
146.98203	0.3
147.11584	0.2
157.13791	0.1
163.16316	0.1
166.02670	0.2
184.07347	100.0
185.07770	0.7
267.15833	0.2
405.49838	0.1
450.22015	0.1
459.58139	0.1
476.39996	0.1
489.35330	0.5
506.63803	0.1
613.34509	0.5
672.42163	0.3
712.45502	7.8
713.45013	0.4
762.41125	2.9
763.42120	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	762.5572
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	2.9
57.07077	49.4
59.05003	14.5
65.23960	1.0
67.05533	2.3
69.07065	2.6
69.56329	1.0
71.08633	49.6
71.53486	1.2
73.02903	2.7
73.06556	4.2
74.90857	0.9
76.55989	1.0
79.05482	2.1
81.03414	1.0
81.07046	2.4
83.08616	2.2
85.10186	47.6
86.09701	3.9
87.04475	18.0
89.06034	100.0
91.05507	1.2
93.07034	1.1
95.04979	1.2
95.08608	1.7
97.10165	1.5
99.11724	4.1
103.07581	6.7
105.56301	0.9
107.07074	2.0
107.08610	1.2
109.10128	2.0
111.70793	0.8
113.06013	1.7
117.09099	5.0
130.08615	3.9
131.07072	5.5
131.08554	1.1
133.08604	77.2
141.16374	2.7
161.11784	1.9
173.90849	0.9
175.09706	6.3
177.11229	30.0
184.07399	5.7
199.20602	5.0
219.12296	2.2
220.15807	0.9
221.13872	6.8
239.14961	0.9
243.23206	6.1
265.16531	2.0
282.15045	0.9
283.17578	2.9
300.09644	1.0
309.18948	1.8
313.30872	0.9
322.96786	1.0
353.21701	1.8
356.13486	0.9
371.22928	1.1
459.27930	1.3
503.30066	1.2
529.32819	1.2
547.33221	7.4
579.37286	1.1
587.35876	2.3
626.16907	1.0
744.43469	1.1
745.52905	1.6
762.40668	8.5
762.55438	7.1
763.41553	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	761.4082
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.1
55.05501	2.6
57.03433	2.3
61.02912	3.1
64.70714	0.7
67.05506	6.3
69.03434	2.7
69.07059	2.3
70.18053	0.7
71.15027	0.8
73.02916	2.3
74.13512	0.7
78.59342	0.8
79.05498	7.5
81.03419	3.2
81.07045	7.5
83.04949	1.1
83.08627	1.3
85.02917	3.8
86.09697	2.2
91.03954	2.8
91.05484	4.6
91.93616	0.8
93.07050	7.9
95.04957	1.3
95.08615	4.5
97.02894	3.4
97.06527	1.6
97.10189	1.3
99.04475	1.5
101.02380	1.1
101.85870	0.8
105.07007	3.8
107.08598	4.0
109.10130	1.4
117.07013	1.4
119.08612	3.3
121.10157	3.2
125.00036	1.4
131.08578	1.7
133.10149	3.4
135.11678	5.2
139.81055	0.9
142.71513	0.9
145.10149	1.6
147.11728	1.5
163.11211	1.4
164.04431	0.8
181.12263	0.9
184.07376	7.0
185.04219	1.0
227.12839	2.2
229.46814	1.0
243.08452	3.5
247.18204	1.1
249.11008	11.0
249.13376	1.0
255.15994	1.2
264.78577	0.9
265.19202	1.1
301.09033	1.7
305.13596	1.2
315.18961	0.8
427.68365	0.8
465.21133	1.5
467.19049	6.3
469.20422	1.1
518.77747	0.9
535.28729	6.2
554.83105	0.8
599.43616	0.9
623.29620	1.2
761.40704	100.0
762.41412	4.1
778.69446	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	761.3924
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	0.4
55.05514	1.0
57.03439	1.7
59.04998	0.9
61.02929	4.6
62.13828	0.4
67.05510	2.5
69.03439	3.0
69.41930	1.5
69.42339	1.1
71.01363	0.5
71.04985	1.9
73.02913	2.7
79.05491	3.6
81.03422	5.9
81.07063	3.5
83.04974	1.1
83.08627	1.4
85.02910	4.4
85.06532	0.5
87.04453	0.6
91.03941	2.2
91.05484	3.2
93.07049	3.1
95.04946	1.8
95.08608	1.1
97.02892	2.9
97.06529	1.1
98.20822	0.8
101.02348	1.7
103.03929	0.5
105.07017	2.6
107.04964	0.7
107.08609	1.9
109.02867	0.8
109.06502	0.5
111.08082	0.5
113.06015	0.5
119.08587	1.9
121.10149	2.5
123.08073	0.4
127.03938	1.6
129.07011	1.0
131.08551	2.6
133.10167	2.0
147.11722	1.9
149.09624	3.6
157.10139	1.8
163.11342	0.4
165.12820	0.5
175.11247	1.5
185.04259	0.8
193.12238	2.5
195.84874	0.4
197.15373	0.5
203.05200	0.5
225.14828	1.9
241.06703	0.4
243.08401	2.6
249.14804	0.4
253.14267	0.8
265.08292	0.3
267.16040	1.5
283.15204	7.6
339.17758	2.1
441.21265	0.7
469.20554	1.1
501.23071	31.6
502.23575	0.8
599.33704	0.7
657.31781	0.5
761.39264	100.0
762.39471	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	761.3572
Annotation	Unknow
Peak:m/z	Relative Intensity
54.46852	0.4
55.01919	0.8
55.05578	1.5
56.96622	0.5
57.03495	1.8
57.07127	0.6
59.05036	0.8
61.02997	3.7
67.05580	5.7
68.69224	0.5
69.03513	2.3
69.07139	1.4
70.00716	0.5
71.01449	0.5
71.05049	1.0
74.92829	0.4
78.18395	0.5
79.05585	1.9
81.03509	2.0
81.07153	2.6
83.01167	1.0
83.05060	1.4
83.08688	1.0
85.03004	4.4
87.04554	0.5
91.04068	3.3
91.05576	1.4
93.07165	1.7
95.01133	0.6
95.05032	0.7
95.08704	1.2
97.02901	3.3
97.06639	0.7
97.10264	0.7
98.21518	1.1
99.04503	0.6
101.02493	1.4
103.04062	0.6
105.07127	0.6
105.87751	0.5
107.05045	0.5
107.08735	1.6
109.02936	0.9
109.10150	5.8
111.08131	0.6
111.30289	0.5
115.04011	0.6
115.34539	0.5
119.08701	1.3
123.04438	1.6
123.11829	0.8
127.04057	1.6
127.11298	0.6
129.05611	1.8
132.70731	0.4
133.10226	0.6
135.11769	0.8
139.03909	0.7
145.05025	0.7
155.10759	0.7
156.04045	0.7
163.03993	0.6
163.11337	0.7
173.11934	1.4
181.04755	2.4
183.02759	0.5
184.03600	1.4
184.07591	0.8
185.04216	7.8
189.05678	0.5
195.09938	3.3
199.05812	2.2
199.13396	0.7
201.03696	4.0
203.05443	0.8
207.06808	0.5
210.52094	0.5
221.11713	1.6
222.21837	0.5
227.05464	1.3
229.07520	0.9
229.14539	1.2
235.13254	1.6
237.10898	0.7
241.07333	0.6
243.08377	2.4
251.12817	0.6
265.14417	1.5
267.12128	0.7
271.15424	0.6
281.13846	0.6
293.13599	4.0
301.08966	17.6
307.15405	0.6
311.14929	1.4
313.09076	0.6
315.10388	2.6
327.10632	0.8
329.12390	0.5
339.14154	3.2
341.12393	1.0
343.10025	0.7
355.13684	0.7
357.15442	1.1
369.15308	1.2
373.11102	7.8
373.96625	0.5
377.22986	3.3
383.17017	2.0
385.18347	9.5
387.12744	1.3
392.09424	0.5
397.18695	0.5
401.14145	1.0
401.66833	0.5
413.17877	17.4
415.15674	0.7
423.23636	0.6
427.19675	1.0
429.17435	6.2
439.19360	1.1
443.19199	1.2
444.19992	0.6
457.20432	2.0
459.18628	1.3
461.75433	0.5
467.19083	0.8
476.18280	0.6
485.19827	10.6
499.21405	3.1
513.23602	2.5
517.22656	0.9
527.26263	0.9
541.26459	0.8
555.28265	3.5
569.29120	1.3
585.28857	3.1
589.24213	0.8
599.30499	2.4
599.70483	0.6
611.30450	1.7
639.29907	2.5
657.30902	100.0
658.31506	3.4
669.01221	0.6
715.33948	0.8
761.35693	24.5
762.35907	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	760.4832
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	5.5
55.05513	19.2
57.03442	13.7
57.07065	3.3
60.08144	1.9
61.02918	3.0
65.03914	2.3
67.05508	84.9
69.03413	4.4
69.07079	18.9
70.00184	4.3
70.00584	7.0
71.04995	46.8
73.02929	2.4
79.05073	3.5
79.05495	48.0
81.03399	7.5
81.03865	2.0
81.07063	49.9
83.04970	8.8
83.08599	10.1
85.02906	6.0
85.06532	5.6
86.09701	8.8
91.03913	2.3
91.05488	57.7
93.06484	4.3
93.07045	66.6
95.04960	6.1
95.08611	40.2
97.02901	3.6
97.06516	9.9
97.10161	6.5
97.47898	2.2
98.20834	2.6
99.08096	2.8
104.10729	3.9
105.04543	2.0
105.07031	49.5
107.08600	29.4
109.06520	2.9
109.10160	59.7
111.08066	6.1
117.07014	19.0
119.08593	47.6
121.06522	2.8
121.10136	22.5
123.11684	5.4
125.00002	5.3
125.09601	6.9
129.06989	7.9
131.08566	21.7
133.10127	36.8
135.08102	2.2
135.11688	21.2
137.09618	15.3
141.06955	3.5
143.08582	13.4
145.10117	22.2
147.11659	23.6
149.13277	4.1
151.11153	3.7
153.12636	2.7
155.10660	4.0
157.10088	13.7
159.11725	17.0
161.09595	3.3
161.13303	13.6
163.11220	6.1
163.14859	2.8
169.10101	5.2
171.11684	13.9
173.11742	8.3
173.13309	9.8
175.14790	5.3
176.46803	2.3
177.95985	2.2
183.11710	5.9
184.07359	18.7
185.13232	9.3
187.13213	3.2
187.14793	4.5
197.13327	4.2
199.14798	4.9
211.13171	3.0
227.12759	2.4
229.14337	7.1
231.21117	3.2
241.19562	12.0
243.15921	8.7
253.14325	5.3
255.15889	4.5
259.20590	35.2
271.15494	2.4
278.11646	2.4
283.20377	2.5
285.16904	4.7
287.18570	28.8
315.23193	6.4
333.24304	37.4
335.25766	4.4
395.29294	6.4
397.16385	2.2
403.29715	2.8
421.30850	8.1
469.33038	7.6
487.34213	100.0
488.34564	3.2
489.35669	4.6
495.34494	6.3
501.35669	3.3
513.35742	61.4
519.36768	11.9
531.36920	10.2
545.30554	3.0
545.38306	36.6
584.27588	2.9
604.51147	2.6
689.42059	2.7
754.66980	2.6
760.39783	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	760.4836
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	2.5
55.05516	8.3
57.03441	8.3
57.07074	1.5
60.08158	5.1
61.02923	2.5
62.13022	0.9
65.03939	1.9
67.05507	27.1
69.03423	2.9
69.07067	5.2
70.06599	0.9
71.04985	2.0
71.07367	2.8
71.08634	1.0
73.02936	1.1
74.81396	0.9
79.05494	19.7
80.05827	1.2
81.03422	27.2
81.07060	27.7
83.04990	3.0
83.08628	7.9
85.02909	1.9
85.06535	1.3
86.09709	30.4
89.06060	1.2
91.03957	1.4
91.05483	15.7
93.07050	20.6
93.07630	1.2
95.04969	9.5
95.08614	19.7
97.02908	2.2
97.06548	3.2
97.10178	2.9
98.98456	3.6
99.08122	1.2
104.10737	2.3
105.07027	12.5
107.04955	3.4
107.08610	10.3
109.06534	2.9
109.10180	7.0
111.08089	1.9
117.07043	2.6
119.08591	10.8
121.06517	2.2
121.10143	7.1
123.08067	1.5
123.11703	3.3
124.99999	21.0
125.00889	1.2
125.09641	2.6
129.07013	3.6
131.08560	6.9
133.06517	1.8
133.10149	6.1
135.11714	4.8
137.13240	1.1
145.10155	4.1
147.04456	1.1
147.08058	1.9
147.11673	6.3
149.09639	2.4
149.13284	2.3
150.86591	0.9
151.11188	1.4
153.12807	1.0
157.10176	2.6
159.11708	2.5
161.13332	2.3
163.11145	1.3
163.14803	1.6
171.11713	1.3
173.13307	1.9
175.11218	2.2
175.14871	1.5
179.14281	0.9
184.07352	100.0
184.33775	1.0
189.11259	1.4
193.12231	7.8
227.12726	1.5
243.21091	2.1
261.22195	4.2
267.15924	31.1
278.10422	0.9
301.25461	1.5
317.24878	2.1
335.25800	26.1
336.26270	1.2
435.32822	1.2
453.33752	2.8
466.21231	2.5
471.34760	1.3
509.36359	1.0
527.37384	21.0
528.37292	1.3
531.36847	2.3
536.29462	1.6
545.38397	18.3
546.38843	1.4
563.39093	3.7
569.38171	1.3
710.44031	6.9
760.43024	31.1
761.42670	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	759.4498
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	1.7
57.03435	1.7
57.07072	2.3
58.39721	0.7
61.02925	5.0
67.05173	0.9
67.05508	9.8
69.03418	2.5
69.07065	1.0
69.22987	4.0
69.23396	1.3
71.05002	1.3
71.08626	1.8
72.23912	0.6
73.02915	3.4
76.31261	0.5
79.05489	2.3
81.03419	2.1
81.07062	5.7
83.08627	1.4
84.71593	0.5
85.02914	4.7
85.10159	1.1
86.09701	1.0
86.72789	0.5
91.03954	3.0
91.05485	1.6
93.07053	2.5
95.05027	0.6
95.08620	3.3
97.02900	4.2
99.04459	1.0
101.02365	1.4
105.07030	0.8
107.08616	0.9
109.02901	0.8
109.10158	6.2
117.35198	0.5
118.81921	0.5
119.08593	1.2
121.10172	0.9
123.11775	1.0
124.99990	0.8
127.03900	1.3
133.10237	0.7
134.10429	0.6
145.10135	0.7
152.32039	0.5
155.10721	1.2
173.11757	2.9
184.07367	5.4
185.04295	1.2
195.09956	1.0
229.14352	1.6
243.08447	2.4
301.20367	0.7
313.27417	2.1
335.25793	0.8
336.26114	1.1
413.17868	13.8
491.42416	0.7
497.30908	7.2
503.37549	0.9
504.38116	3.0
562.41809	3.4
591.45422	0.8
635.90076	0.6
669.41833	100.0
670.41901	3.2
759.45074	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	760.4475
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	2.6
55.01872	7.9
55.05515	14.3
56.96557	1.4
57.03437	5.8
57.07076	1.2
60.08154	3.4
61.02918	2.5
62.58445	1.2
65.03926	3.0
67.05505	48.4
69.03418	6.0
69.07070	18.3
70.10604	5.2
71.04980	3.8
71.07356	3.2
73.02879	1.4
73.97323	1.0
79.05494	26.6
81.03410	6.5
81.06592	2.4
81.07056	40.7
81.75123	1.2
83.04984	6.5
83.08612	6.7
85.02890	4.0
85.06525	5.0
86.09702	17.3
91.03931	1.6
91.05482	34.9
93.07050	26.9
94.93722	1.3
95.04992	7.2
95.08620	12.9
97.02867	4.9
97.06541	7.5
97.07072	1.3
97.10161	5.1
98.98466	2.0
99.04439	3.1
99.08150	1.6
102.31945	1.2
103.05490	1.6
105.04537	1.1
105.07034	32.6
107.04969	4.3
107.07886	2.0
107.08597	31.8
109.06510	4.4
109.10160	41.7
111.08043	2.6
113.06024	2.2
117.07017	5.1
119.08579	12.4
121.06469	2.2
121.10130	5.1
123.04400	1.6
123.08051	2.2
123.11705	7.7
125.00016	11.8
125.09614	5.3
127.03886	2.4
127.07533	2.9
129.07007	2.2
131.08557	8.5
133.10132	56.6
135.08047	2.5
135.11708	6.4
137.09592	2.7
143.08582	2.7
145.10133	6.8
147.11684	5.7
149.09641	4.2
149.13239	2.9
151.11179	28.7
157.10118	1.8
159.11652	5.4
161.09618	2.0
161.13271	2.0
163.03865	1.7
163.11115	3.8
169.10170	1.6
169.12233	4.6
171.11746	1.5
173.04495	1.4
173.13280	3.1
177.12711	1.5
179.14363	1.9
183.11665	1.8
184.07341	55.4
189.11188	2.6
191.51534	1.1
195.13780	1.4
215.12831	1.9
227.12860	5.7
239.17819	2.2
247.20520	1.7
253.14355	100.0
254.14752	2.1
255.15814	1.6
257.18976	4.8
267.15851	1.7
269.17456	5.1
271.15384	28.0
275.20041	20.8
291.19360	2.8
349.23776	13.3
423.23773	4.1
451.26962	7.4
465.28479	29.0
466.28775	1.5
519.32867	2.6
521.94659	1.5
527.34045	2.4
545.34674	41.2
563.35541	5.8
602.28442	1.4
609.31738	1.5
742.41974	3.3
760.41797	2.8
761.34381	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	759.429
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	1.0
55.01862	0.5
55.05509	1.4
57.03434	1.5
61.02937	4.2
67.05510	4.5
69.03445	2.4
69.07079	1.5
69.24348	1.1
69.24763	1.6
71.01362	0.4
71.04992	0.4
73.02922	2.8
79.05502	5.3
81.03417	2.9
81.07064	4.7
83.04996	0.8
83.08615	0.8
85.02917	2.9
86.09722	0.6
87.04485	0.5
88.74315	0.3
91.03973	2.7
91.05495	5.0
93.07043	5.1
95.04978	1.1
95.08614	3.0
97.02908	3.8
97.06548	0.5
97.10180	0.4
100.92649	0.3
101.02402	1.0
105.07044	3.9
105.18011	0.3
107.04993	1.1
107.08617	3.0
109.02863	0.8
109.06518	0.4
109.10162	0.9
117.07056	0.7
119.08572	2.9
121.06540	0.3
121.10170	1.6
123.08099	0.5
125.00018	0.7
125.09660	0.3
127.03947	1.0
129.07018	1.2
131.08594	1.0
133.10136	2.3
135.11758	1.1
143.08580	0.5
145.10162	1.2
147.04443	0.5
147.07962	0.3
147.11693	2.5
149.13281	0.7
157.10178	0.5
158.71912	0.3
159.11690	0.7
161.13319	0.7
163.11247	0.4
171.11697	1.7
184.07353	2.7
185.04230	0.9
203.05273	0.4
207.13812	0.4
243.08467	2.8
247.13142	1.6
267.16040	0.4
301.09131	1.1
301.16544	0.5
315.10754	0.6
317.21005	0.3
335.25983	1.1
336.26276	0.4
357.15625	0.4
465.21014	9.5
495.22186	0.9
527.37097	0.4
535.28882	6.1
537.23450	1.3
544.37341	0.4
562.38196	0.6
621.32483	0.4
648.20807	0.3
689.35315	0.5
759.42932	100.0
760.43463	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	758.5049
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.9
55.01876	1.5
55.05266	1.4
55.05514	16.2
57.03442	8.3
57.07062	4.1
59.05003	1.3
60.08163	1.4
60.62516	0.9
61.02919	3.3
64.15443	0.8
65.03935	2.3
67.05507	68.9
69.03442	1.7
69.07076	11.4
70.68729	1.2
70.69067	2.1
71.04999	22.2
73.02919	1.0
79.04534	1.3
79.05496	40.6
79.64879	1.0
81.03419	2.2
81.07059	100.0
83.04990	5.1
83.08617	8.8
85.02901	3.3
85.06548	10.7
86.09701	7.0
89.06841	1.0
91.05482	29.9
93.07049	42.5
93.07641	2.2
95.04969	3.6
95.08609	32.4
97.02885	2.5
97.06551	5.1
97.10175	2.2
99.08060	2.0
102.34315	1.1
105.04540	1.2
105.07034	16.1
105.17458	1.0
107.08604	25.8
109.06509	2.5
109.10153	15.8
111.08080	2.5
111.38549	1.1
117.07019	6.0
119.08607	8.7
121.10143	16.3
123.08057	1.3
123.11716	16.3
125.00028	3.6
125.09645	1.9
131.08572	8.8
133.10147	19.9
135.08041	1.3
135.11696	13.1
143.08510	1.2
145.10118	6.4
147.11681	4.3
149.13297	6.0
151.11189	8.7
153.12720	1.4
159.11693	7.9
161.13254	2.9
173.13237	4.0
177.12813	2.6
179.14258	1.1
183.13777	3.7
184.07372	19.5
185.07687	1.3
187.13310	3.6
187.14828	1.4
195.13765	2.2
227.16449	2.3
243.15971	1.6
257.17480	1.6
259.20633	1.6
261.22156	3.0
269.17532	5.5
301.16830	0.8
301.20090	23.6
322.07684	1.0
335.25803	22.5
335.29813	1.2
336.26068	1.5
355.07349	1.0
411.32407	1.7
437.33759	1.2
485.36270	3.3
492.09106	1.1
503.37326	95.6
504.37604	3.2
511.37637	1.5
517.38885	3.7
529.38934	20.2
547.39862	1.8
561.41565	87.6
562.41534	3.6
593.83478	1.1
758.42883	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	758.4683
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	5.4
55.01873	7.9
55.05512	21.8
57.03439	15.1
57.07057	4.4
59.04991	1.7
61.02916	5.4
61.52119	1.4
65.03936	2.3
67.05506	73.0
69.03427	5.5
69.07075	21.4
70.62239	1.6
71.01340	3.6
71.05001	7.8
73.02921	2.7
77.03898	1.6
79.05495	61.4
81.03419	19.5
81.07058	69.1
83.01349	3.5
83.04986	16.2
83.08615	11.9
85.02910	11.4
85.06565	3.5
86.09701	3.0
91.03946	2.0
91.05481	33.0
93.07047	70.8
94.07375	1.5
95.04967	10.1
95.08611	48.5
97.02888	11.5
97.06535	9.2
97.10167	5.0
98.21537	4.2
99.08064	2.4
101.02352	1.9
102.78631	1.4
103.03912	1.7
105.07043	22.4
107.04942	10.5
107.08598	38.7
109.06538	5.1
109.10162	24.3
111.04449	8.7
111.08108	4.7
111.11754	2.1
115.05478	2.3
117.07037	12.5
119.08588	23.8
121.06530	5.4
121.10149	36.0
123.08067	8.3
123.11716	7.1
124.99979	1.9
125.06055	1.6
125.09618	5.3
129.07011	2.9
130.07809	2.0
131.08577	19.2
133.10153	10.9
135.08086	4.3
135.11696	30.6
137.09627	3.3
139.11163	5.8
143.08586	3.1
145.10138	28.1
147.08031	4.6
147.11684	7.0
149.09624	2.5
149.13300	7.8
153.12772	13.5
155.08604	3.1
159.11664	4.2
161.13269	4.5
163.11195	33.1
171.11603	2.1
173.09653	7.2
173.13199	4.1
175.14734	1.7
177.73656	1.8
181.12233	7.4
184.07339	10.6
186.94002	1.5
187.14832	1.6
191.10677	10.8
199.14810	1.6
199.77687	1.8
209.11722	22.7
227.12740	16.2
229.57498	1.9
231.17381	1.7
243.21065	4.1
245.13901	6.9
259.20377	1.6
261.22150	17.0
265.14447	4.1
283.15387	26.9
301.16473	69.3
302.16772	1.9
317.24783	3.0
335.25812	100.0
336.26178	4.2
451.32086	3.4
469.33118	3.9
525.35870	9.9
528.99750	1.8
543.36859	55.2
544.37280	3.0
561.37836	88.7
562.38000	3.0
668.40112	7.5
758.41553	6.6
759.38385	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	758.4167
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	8.5
55.01877	7.7
55.05513	42.1
56.19102	1.4
57.03189	1.9
57.03442	20.7
59.05001	15.2
61.02918	2.6
65.03928	3.1
67.05508	79.8
69.03454	9.6
69.07069	15.9
69.99618	6.1
71.01347	3.5
71.04999	13.4
74.40587	1.4
79.05499	51.6
81.03422	100.0
81.06586	3.0
81.07060	50.9
83.04983	17.9
83.08150	2.6
83.08623	31.4
85.02901	11.4
85.06527	5.7
87.04472	18.9
91.05482	43.9
93.06485	2.2
93.07050	38.8
95.04970	39.1
95.08056	2.1
95.08614	25.2
97.02900	9.4
97.06521	7.6
97.10180	23.5
99.04440	4.8
99.08093	2.6
103.03973	1.7
103.05517	1.7
105.07040	31.6
107.04967	20.7
107.08598	26.0
109.02862	3.2
109.06520	8.7
109.10161	47.9
111.04449	8.1
111.08080	16.9
111.11707	1.5
115.05471	3.1
117.07023	9.8
119.04922	3.3
119.08585	26.6
121.02898	3.4
121.06525	9.5
121.10147	24.9
121.11014	1.7
123.04453	11.3
123.05296	1.4
123.05621	1.3
123.08061	6.7
124.78538	1.4
125.05962	1.9
125.09637	20.8
127.04009	1.3
129.07008	15.7
131.04909	2.5
131.08566	21.6
133.06485	5.8
133.10126	17.1
133.95850	1.7
135.04414	7.3
135.08034	7.2
135.11664	8.5
137.05957	5.3
137.09630	4.1
139.11194	4.9
141.07014	2.4
142.07797	2.6
142.59563	1.3
143.08582	4.0
144.09264	1.3
145.06499	4.8
145.10129	12.7
147.04338	3.2
147.08040	8.1
147.11682	13.7
149.05965	2.7
149.09633	17.4
151.03903	1.5
151.07544	1.6
151.11159	2.6
153.09111	6.5
153.12778	12.1
155.08588	3.9
155.10686	3.6
157.10155	14.8
159.11697	3.9
161.05997	3.6
161.09622	2.1
163.11191	15.5
165.12791	3.3
167.10703	2.4
169.10095	2.7
171.10202	2.7
171.11658	2.3
173.06142	1.4
173.09627	6.2
173.11771	11.6
173.13092	2.4
175.11185	16.1
177.12711	1.7
181.12276	6.9
183.11699	3.2
185.13246	4.3
187.11206	2.6
189.09467	2.1
189.11238	12.7
189.12659	2.8
191.10678	6.4
193.12250	50.1
194.12563	1.6
199.11443	1.6
199.13361	4.3
203.14418	2.8
205.12279	4.2
207.13763	1.9
209.11742	13.9
211.11372	2.8
211.13284	42.3
213.12712	2.1
215.10637	2.0
217.12227	3.9
217.14308	2.8
219.13826	3.4
221.08066	2.1
221.15327	2.3
223.13258	3.6
225.14883	5.8
227.10823	2.3
227.12791	19.9
229.12154	3.1
229.14339	39.6
231.13817	6.0
235.11212	1.8
235.13319	8.4
241.14211	1.7
245.13750	2.2
247.13277	8.3
249.14833	15.0
253.14337	2.2
259.13153	2.5
265.14444	1.6
267.15927	71.9
268.16458	1.8
273.14825	2.9
275.12646	3.0
283.15488	15.9
289.14395	2.4
293.13834	1.9
301.16794	7.3
303.63126	1.7
309.17169	3.1
315.18106	2.4
319.20737	1.9
337.21652	6.5
347.19879	2.5
355.22595	9.8
363.13934	1.6
365.20969	9.2
373.23849	8.4
383.22119	24.4
391.24768	3.1
401.23254	29.9
409.25754	3.0
415.24692	2.2
419.24130	9.0
421.25827	27.9
433.25598	3.6
439.25711	2.3
447.27365	3.4
457.26096	8.1
459.27789	2.2
475.26938	41.4
476.27090	1.8
489.28128	1.9
493.27939	30.2
507.29639	9.3
511.28839	5.4
525.30383	4.3
578.33417	2.1
655.32941	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	757.4707
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	0.5
55.01869	0.4
55.05504	1.0
57.03437	1.4
57.07075	2.4
59.04995	0.5
61.02927	4.3
67.05510	1.6
69.03425	2.2
69.07066	1.1
70.17391	0.5
70.17793	0.8
71.01340	0.3
71.04997	1.0
71.08640	1.5
73.02915	3.0
79.05494	1.3
80.34527	0.2
81.03422	2.8
81.07052	2.2
83.04974	0.2
83.08592	1.2
84.88767	0.2
85.02908	4.1
85.06548	0.3
85.10192	1.1
86.09716	0.3
87.04478	0.4
91.03959	2.3
91.05473	1.5
93.07037	0.9
95.04430	0.3
95.04944	1.2
95.08611	2.0
97.02908	3.7
97.06564	0.5
97.10184	0.4
98.21471	0.2
99.04473	0.4
101.02379	1.5
105.07072	1.2
107.08601	0.7
109.02872	0.9
109.06495	0.3
109.10172	0.6
111.08118	0.3
115.03957	0.3
116.49736	0.2
118.45945	0.3
119.08587	0.6
121.10135	1.1
123.11727	0.7
124.99995	0.3
127.03927	1.2
129.07028	0.6
131.08589	0.8
133.10121	0.4
138.53499	0.2
145.05000	0.3
147.11697	1.2
149.09592	1.2
157.10173	1.1
165.12830	0.2
173.43571	0.2
173.56340	0.2
175.11234	0.5
184.07381	0.7
185.04279	0.7
193.12302	1.4
203.05345	0.5
225.14900	0.5
233.11589	0.4
239.23634	0.4
243.08376	2.4
258.43689	0.3
267.16013	0.8
283.15155	4.7
293.19272	0.3
313.27216	1.2
339.17883	0.9
395.92410	0.3
441.21484	0.3
469.20410	0.3
497.30881	7.0
497.37906	0.4
501.23071	14.4
595.41583	0.5
757.47083	100.0
758.47302	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	757.4707
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.3
55.01869	0.5
55.05508	0.7
57.03446	1.7
57.07076	2.4
59.05007	0.5
61.02929	4.3
62.16791	0.2
65.32450	0.2
67.05511	1.8
69.03436	2.4
69.07076	0.8
69.47140	1.2
71.01350	0.4
71.04999	0.6
71.08630	1.8
73.02555	0.4
73.02923	3.3
79.05496	1.4
81.03426	2.1
81.07056	2.3
83.04984	0.4
83.08620	1.2
85.02908	4.0
85.03385	0.4
85.06552	0.3
85.10186	1.2
86.09699	0.6
86.38828	0.2
87.04491	0.4
91.03954	3.3
91.05481	1.3
93.07030	1.1
95.04975	0.8
95.08611	2.2
97.02889	3.6
97.06541	0.4
97.10181	0.5
98.21545	0.2
99.04465	0.8
101.02394	1.3
103.03936	0.3
105.07045	1.0
107.04896	0.2
107.08612	0.6
109.02901	0.8
109.10172	1.1
111.04502	0.3
115.03967	0.4
119.08611	0.7
121.06538	0.3
121.10152	1.1
121.87801	0.2
123.11702	0.2
125.00022	0.5
127.03902	1.2
129.07043	0.4
131.08598	1.0
133.10155	0.7
139.11290	0.2
145.04993	0.4
147.11697	0.9
149.09613	1.2
157.10182	0.9
175.11264	0.7
184.07315	1.9
185.04158	0.5
193.12239	1.2
203.05287	0.4
225.14995	0.7
233.11649	0.3
239.23892	0.3
243.08351	2.1
267.16034	0.7
283.15137	4.2
313.27478	1.0
335.81329	0.2
339.17889	0.8
356.31247	0.3
424.78152	0.3
483.21988	0.3
497.30890	6.2
497.37869	0.4
501.23056	11.5
502.23373	0.4
554.95618	0.3
595.41980	0.5
652.09485	0.2
757.47064	100.0
758.47406	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	757.4132
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	1.4
55.01871	0.8
55.05507	2.0
57.03435	1.8
61.02931	3.9
67.05515	5.5
69.03430	2.2
69.07078	3.2
69.84149	0.9
69.84548	1.4
73.02908	2.7
79.05495	5.4
81.03419	2.1
81.07059	5.2
83.04983	1.1
83.08609	1.1
85.02906	4.4
86.09724	1.2
90.24129	0.5
91.03976	2.6
91.05488	4.6
93.07058	5.5
95.04984	1.9
95.08624	3.1
97.02899	2.3
97.06543	1.2
99.04455	0.6
101.02403	0.5
105.07037	4.6
107.04961	1.4
107.08614	2.0
109.02914	0.8
109.06516	0.8
109.10166	0.7
117.07018	0.9
119.08607	2.8
123.08100	0.6
125.00024	0.8
127.03857	0.8
129.07004	1.5
131.08551	1.3
132.62360	0.5
133.10165	2.0
143.08562	1.1
145.10184	1.4
147.11702	2.5
149.09669	0.7
161.13272	0.9
162.48619	0.5
163.11197	1.2
171.11810	0.9
171.31450	0.5
173.11887	0.6
179.14343	1.1
184.07388	2.2
195.02136	0.4
200.84222	0.5
243.08530	2.6
247.13086	0.8
275.20013	0.7
290.04749	0.6
315.19305	4.5
335.25848	1.6
371.22125	1.1
465.20941	9.3
465.26813	0.7
533.27380	7.6
559.37030	0.5
646.74652	0.6
679.59155	0.6
757.41302	100.0
758.41949	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	757.2182
Annotation	Kaempferol 3-rhamnosyl-(1->6)-glucosyl-(1->6)-galactoside
Peak:m/z	Relative Intensity
53.03923	0.3
55.01859	0.3
55.05509	0.2
57.03441	1.5
57.60983	0.1
59.04981	0.3
61.02929	0.6
64.37035	0.1
68.99809	0.2
69.03088	0.1
69.03432	1.6
69.57516	0.4
69.57935	0.3
71.04994	8.2
73.02913	0.4
75.04480	0.6
79.03274	0.1
81.03429	0.6
83.04980	1.5
85.02905	14.5
87.04459	0.4
91.03934	0.2
97.02885	1.7
97.06528	0.2
98.20770	0.2
99.04445	0.4
101.06058	0.1
107.04952	0.3
109.02855	0.5
111.00797	0.4
111.04446	0.9
115.03915	0.2
121.02875	1.7
123.04391	0.2
127.03917	1.2
129.05484	3.9
133.02835	0.3
137.02324	0.5
139.03864	0.1
145.04965	1.1
145.06094	0.2
147.04413	0.5
147.06534	1.7
153.01830	2.2
163.03922	0.2
163.06021	0.4
165.01825	1.2
171.04424	0.2
175.03902	0.1
183.02888	0.7
185.05962	0.4
189.05547	0.2
197.05925	0.2
203.07117	0.2
205.41356	0.1
213.05435	0.9
217.05043	0.1
225.07718	0.1
231.06490	0.5
241.05000	0.6
255.08670	0.3
258.05304	0.8
259.06085	0.3
270.53473	0.1
273.09677	0.2
285.43298	0.1
285.54681	0.1
286.04535	0.2
287.05493	100.0
288.05792	1.6
299.05548	0.2
329.06442	0.6
405.24063	0.1
431.09433	0.1
449.10818	1.5
485.09222	0.2
595.16431	0.1
629.78088	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	756.5539
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05032	0.6
57.07083	0.4
58.06631	0.5
59.07378	0.2
60.08167	5.9
67.05511	0.6
69.07042	0.2
70.06573	0.2
71.07376	3.0
71.08632	0.2
79.05489	0.4
81.07056	0.4
86.09709	27.5
91.05460	0.2
92.11072	0.2
93.07048	0.3
95.05012	0.2
95.08605	0.3
98.98478	2.6
104.10743	1.9
105.07055	0.2
107.08603	0.3
109.10154	0.2
114.58383	0.2
120.00225	0.2
120.14146	0.2
125.00009	18.0
166.02609	0.2
170.15912	0.2
178.04138	0.2
184.07347	100.0
185.07611	0.5
272.44803	0.2
319.42300	0.2
340.07346	0.2
443.20908	0.2
545.39111	0.3
580.67316	0.2
644.44934	0.2
756.55914	3.5
771.19440	0.2
771.33380	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	756.453
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00325	2.2
53.03937	3.9
55.01871	2.8
55.05265	1.6
55.05514	19.0
57.03439	10.1
57.07060	1.7
59.05002	1.4
59.16911	1.1
60.92606	1.0
61.02926	3.8
65.03934	2.6
67.05505	40.4
69.03456	1.0
69.07068	9.2
69.68730	5.1
69.69131	2.2
70.01015	1.0
71.01325	2.3
71.04995	1.9
73.02905	1.5
79.05492	25.5
81.03412	3.4
81.07055	41.7
83.04976	2.7
83.08626	12.9
85.02915	4.0
85.06525	1.9
86.09711	5.0
91.03942	1.6
91.05479	28.8
93.07043	38.4
93.07640	2.0
95.04976	4.8
95.08607	27.5
97.02881	5.2
97.06538	4.0
97.10159	2.6
98.20775	1.2
99.00815	13.1
99.04445	1.3
105.04506	2.3
105.07030	22.7
107.04965	5.0
107.08601	21.5
108.33144	1.1
109.02869	9.7
109.06530	2.6
109.10152	15.0
111.08075	3.8
115.03910	1.6
117.07040	6.5
119.08568	13.3
121.06519	5.3
121.10137	12.5
123.04448	1.6
123.08061	1.2
123.11688	5.2
124.99996	3.6
127.03932	2.2
129.07007	1.2
131.08569	8.7
133.06519	1.8
133.10124	37.9
135.11674	7.6
137.13306	1.5
139.07559	3.1
143.08583	4.1
145.10112	5.4
147.11667	3.3
149.13258	4.6
151.11179	12.7
159.11708	4.3
161.09615	14.7
161.13257	2.8
163.11230	1.2
163.14836	2.1
171.08102	3.3
173.13307	2.8
175.14809	2.1
177.16411	2.0
179.10640	8.6
179.31558	1.2
184.07338	20.0
189.09109	8.1
197.11757	3.5
207.10191	2.6
225.11191	13.1
229.14453	1.4
243.12364	3.7
243.21085	4.3
261.22153	16.2
281.13776	2.5
299.14890	100.0
300.15384	1.4
315.23257	2.2
317.24619	2.0
335.25787	76.2
336.26285	1.2
449.30286	2.0
467.31549	4.2
485.32315	2.4
513.35687	2.5
515.37085	1.8
531.36835	2.1
541.35370	9.0
559.36304	37.5
560.36255	1.5
577.37109	1.4
756.44202	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	756.453
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00301	2.8
53.03939	4.0
53.24461	0.9
55.01867	1.8
55.05267	1.4
55.05512	17.8
55.90396	1.0
57.03437	9.1
57.07072	1.8
59.04993	1.8
60.19723	1.0
61.02925	4.1
65.03927	1.9
67.05506	40.6
69.03428	1.9
69.07079	9.1
71.04987	2.8
71.52663	1.6
73.02917	1.6
79.05496	30.3
81.03416	4.1
81.07056	48.4
83.04974	2.1
83.08620	14.9
85.02915	5.2
86.09686	3.1
90.70202	1.1
91.03940	1.3
91.04903	1.5
91.05480	29.8
93.07043	37.4
95.04974	5.4
95.08611	29.9
97.02911	5.6
97.06543	3.8
97.10168	3.2
99.00823	14.9
103.05422	1.5
105.07031	20.9
107.04960	5.9
107.08593	20.4
109.02875	10.5
109.06557	1.6
109.10153	17.6
111.04485	1.2
111.08061	4.5
115.03960	2.4
117.07023	5.6
119.08584	15.2
121.06496	5.7
121.09357	1.1
121.10156	12.4
123.04481	1.9
123.08097	1.4
123.11697	6.1
124.99981	2.3
125.09647	1.1
127.03909	2.9
128.06216	1.2
131.08569	8.0
133.10126	37.4
135.08023	1.9
135.11673	9.2
137.06012	1.2
137.09579	1.9
137.13248	2.3
139.07518	2.7
143.08571	3.9
145.10150	5.4
147.08025	1.3
147.11729	5.6
149.13232	4.5
151.11197	10.4
151.49408	1.1
153.07059	1.2
159.11711	4.9
161.09628	14.7
161.13271	3.2
163.14813	2.6
171.08041	2.9
173.13203	3.3
175.14839	1.9
179.10677	7.1
184.07365	13.9
187.14827	2.2
189.09012	6.5
197.11768	2.0
201.85594	1.1
207.10162	2.3
225.11250	13.1
243.12383	2.6
243.21129	6.2
261.22153	17.4
281.13809	3.8
284.08127	1.2
299.14896	90.5
315.23300	2.7
317.24728	3.7
335.25790	100.0
336.26181	2.1
424.22476	1.1
434.69040	1.1
449.30048	1.3
467.31442	5.1
479.30405	1.4
485.32343	2.4
513.35675	3.7
515.37695	1.3
531.36719	1.7
541.35028	9.0
559.36292	54.9
560.36230	2.3
703.69855	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	756.453
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	4.9
54.59962	2.3
55.01868	8.4
55.05520	21.5
57.03432	12.3
57.07058	3.2
67.05509	46.7
69.03436	7.9
69.07075	19.7
69.31423	7.6
69.31850	16.1
71.04996	4.7
73.02910	2.9
79.05070	5.2
79.05496	55.6
81.03431	14.7
81.07059	49.5
83.04992	8.2
83.08624	17.2
85.02914	10.9
85.06580	2.6
86.09711	5.1
91.05486	47.8
93.07042	70.7
95.04977	13.8
95.08609	45.2
97.02909	13.9
97.06533	8.5
97.10172	4.5
99.04455	5.3
99.08081	4.1
103.05469	3.6
105.07027	48.6
107.04948	8.1
107.08589	47.2
109.06557	3.4
109.10150	22.6
111.04413	3.6
117.07025	18.4
119.08590	45.4
120.08866	2.8
121.06513	8.5
121.10156	26.6
125.00002	3.2
127.03894	3.0
129.05469	3.0
129.07008	9.6
131.08583	17.1
133.10141	31.3
135.11696	54.5
137.09659	4.5
143.08543	6.5
145.10130	32.5
147.11717	27.8
149.09575	4.3
149.13281	6.7
157.10100	5.9
159.11717	12.9
161.13251	17.3
163.11174	59.5
171.11742	11.0
173.13248	6.9
175.14850	10.2
181.12268	8.9
184.07364	16.9
185.13315	6.4
191.10495	3.5
199.14810	4.9
209.11740	3.1
227.12788	76.0
229.14337	3.5
231.21033	3.9
241.19505	21.6
259.20578	59.4
267.15952	8.8
273.18719	3.3
275.20081	7.0
283.15417	73.9
315.23279	6.2
333.24234	100.0
334.24899	3.6
349.23700	5.1
413.17630	6.0
414.18124	7.0
541.35260	64.4
542.35571	4.2
559.36499	17.0
585.28778	9.8
586.29077	35.5
756.39600	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	756.4371
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03833	2.1
53.04110	1.6
53.70667	0.6
55.01755	2.7
55.02049	1.2
55.05387	8.0
55.05694	4.0
57.03314	5.6
57.03624	2.2
59.04920	0.7
67.05366	13.3
67.05769	4.5
69.03286	2.7
69.06927	3.3
69.41626	5.4
71.04850	2.1
73.45111	0.7
77.03824	1.0
79.05346	13.4
79.05855	3.1
81.03265	36.9
81.04082	1.3
81.06903	14.0
81.07433	2.9
83.04821	4.0
83.08469	14.7
83.09020	2.9
85.02784	0.8
85.06417	1.3
91.05315	11.8
91.05936	1.7
93.06879	11.7
93.07533	1.9
95.04801	15.8
95.05472	2.4
95.08440	8.1
95.09096	1.4
97.02744	1.7
97.06358	2.6
97.10002	12.6
97.10678	1.7
99.07970	1.1
103.05363	1.0
105.06855	10.2
105.07600	0.9
107.04782	12.1
107.05560	1.1
107.08418	10.7
107.09201	1.3
109.06346	7.6
109.09987	4.9
111.04305	1.0
111.07904	5.2
115.05309	1.7
117.06833	3.8
119.04838	0.8
119.08395	9.5
121.06316	9.3
121.09951	6.5
123.04303	0.8
123.07880	4.0
123.11633	1.4
123.12463	0.7
125.05874	0.7
125.09442	13.7
129.06808	6.8
131.04843	1.5
131.08380	8.4
131.09442	0.9
133.06459	3.8
133.09932	5.3
133.60269	0.8
135.07860	4.9
135.11497	2.6
137.09474	1.5
141.06854	1.5
142.07637	1.4
143.08362	2.1
145.06477	5.8
145.10100	3.9
147.04300	1.0
147.08041	5.0
147.11496	6.5
149.05826	0.8
149.09419	4.3
151.10957	1.0
153.09113	3.3
153.12611	0.7
155.08357	2.0
157.06270	2.1
157.10135	7.3
159.07864	2.2
159.11566	1.6
161.05806	1.6
161.09447	1.9
163.11157	3.9
165.12544	1.2
167.08337	0.8
167.10495	1.7
169.06247	0.7
169.09961	2.3
171.07892	1.3
171.09972	2.3
171.11536	2.4
173.09415	1.7
173.13023	1.7
175.11172	7.0
177.12593	1.3
181.09967	1.1
185.09438	0.8
185.13115	1.2
187.11053	1.7
187.14656	0.9
189.08971	0.8
189.11017	6.8
189.12611	1.3
191.10406	1.3
191.14128	0.8
193.12244	16.4
195.11493	1.3
197.09550	1.1
197.13194	1.4
199.11018	2.3
199.13040	1.1
201.12662	1.1
203.14145	1.2
205.12163	1.6
208.70815	0.7
211.11017	0.7
211.13071	1.1
212.01672	0.7
213.12613	1.1
215.14124	2.7
217.12083	1.4
219.13582	2.8
223.13107	1.3
225.12631	1.4
227.12576	2.6
229.14122	0.9
231.13699	1.5
233.15308	4.5
235.13069	0.9
237.12537	1.9
243.13689	1.0
245.15373	1.1
249.14714	1.9
255.13594	2.6
259.13123	1.1
265.88663	0.7
267.15915	37.1
268.16351	1.0
273.14713	6.8
275.16284	1.2
287.16113	1.0
293.17307	1.4
293.76166	0.8
317.15787	1.7
323.19644	0.8
339.23318	3.5
339.88913	0.8
349.21573	6.2
357.24103	2.5
367.22678	13.4
385.13519	0.7
385.23724	24.2
403.24789	6.3
423.25104	1.0
437.25159	0.9
441.26312	9.4
459.27411	100.0
460.27649	4.7
477.28485	94.1
478.28656	3.9
491.30099	10.9
501.28558	1.8
509.31949	4.0
567.29877	1.9
758.37347	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	756.4008
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	4.2
55.01632	1.1
55.01875	16.4
55.05510	46.4
55.28216	0.8
55.93685	0.8
57.03438	28.3
57.07058	3.7
59.05003	48.0
60.02137	0.8
61.02922	6.3
65.03944	4.8
67.05505	100.0
68.02635	1.3
68.05819	0.9
69.03435	12.3
69.07068	13.6
70.06597	0.9
71.01334	3.9
71.04988	15.2
73.02924	7.2
79.05495	36.4
81.03420	24.5
81.07056	37.4
82.04195	4.9
83.01346	1.1
83.04977	16.4
83.08147	1.4
83.08621	21.6
84.02108	1.2
85.02489	0.9
85.02909	9.2
85.06538	4.8
86.17850	0.9
87.04470	51.4
91.03933	2.6
91.05482	27.7
93.07052	23.9
94.04218	1.0
95.04972	15.1
95.08606	16.4
97.02897	10.5
97.06525	8.3
97.10170	31.3
98.07317	4.9
99.04454	18.5
99.08109	1.6
101.02419	1.1
101.06028	2.2
103.05468	1.2
105.04561	1.2
105.07037	12.6
107.04932	8.2
107.08592	22.0
109.02845	2.2
109.06496	4.2
109.10159	74.6
111.04447	6.9
111.08069	8.6
113.05985	1.8
115.03922	1.9
115.05420	1.2
116.04721	12.8
117.05513	2.4
117.07006	5.5
119.08576	17.3
121.06485	3.1
121.10142	9.2
123.04424	2.1
123.08072	7.2
123.11702	1.7
125.09635	32.0
126.86426	1.0
127.03932	1.9
127.11174	3.4
129.04510	1.2
129.05479	26.1
129.06984	3.6
130.07794	0.9
131.08545	6.4
133.06471	1.1
133.10129	7.2
135.04460	1.0
135.08025	3.6
135.11705	7.6
136.08894	1.3
137.09644	7.2
139.07539	1.0
139.11177	0.9
143.07031	7.3
143.08604	1.8
143.10686	2.4
145.10121	9.0
147.08076	4.3
147.11671	4.9
149.09607	3.5
153.09084	2.2
153.12738	4.7
155.08563	2.2
155.10672	7.8
157.08585	13.7
157.10072	3.5
157.12155	1.1
158.05704	2.0
161.09618	0.9
163.11183	13.6
164.11961	1.3
165.12807	1.1
171.06532	3.8
171.10164	6.3
171.11533	1.3
173.04466	1.6
173.09612	2.6
173.11749	24.5
175.11212	3.9
181.12225	4.4
185.08037	1.7
185.11775	1.7
189.11244	8.1
189.12794	1.4
191.10620	2.7
193.12300	6.3
193.97174	1.0
199.09622	2.2
199.13309	17.1
200.14069	3.9
201.14899	2.3
209.11732	14.0
210.12384	1.7
211.13275	2.9
213.11147	1.0
217.14395	3.5
223.13281	2.2
227.12787	15.7
229.14345	62.7
241.14349	4.2
242.15312	1.4
253.14320	0.9
255.15862	4.8
265.14273	1.2
267.15894	10.1
271.15497	1.8
283.15506	9.9
283.18661	1.7
284.16037	1.7
285.16913	2.0
287.18478	1.7
301.16446	40.3
311.18433	1.8
315.17917	3.4
318.21448	0.9
326.24448	2.8
329.15759	2.1
371.24051	1.7
383.24255	4.2
421.25699	3.6
425.25146	1.8
437.25302	3.0
438.26050	4.8
443.26404	5.1
455.26404	39.6
456.26782	1.6
477.27557	1.0
509.26941	1.9
541.22333	1.5
541.30029	22.8
559.31226	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	756.4008
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	5.2
55.01875	17.5
55.05512	47.0
57.03438	26.2
57.07064	2.4
59.05002	50.8
61.02909	4.6
65.03921	3.9
67.05505	100.0
68.02631	1.2
68.05813	1.4
69.03429	8.9
69.07068	12.7
69.39504	8.6
70.06578	1.4
71.01346	4.1
71.03507	1.2
71.04987	13.5
73.02908	6.4
79.05495	39.8
81.03423	33.1
81.07056	41.2
82.03775	1.5
82.04206	1.5
83.04984	20.3
83.08613	21.6
85.02903	11.8
85.06529	3.1
87.03934	2.2
87.04470	45.3
91.03924	3.2
91.05479	25.9
93.07041	26.7
95.04968	15.6
95.08608	18.8
97.02893	13.5
97.06557	8.6
97.10171	29.4
97.40294	1.3
98.07309	3.4
99.04459	16.2
101.06014	2.7
105.04531	1.5
105.07026	13.5
107.04951	11.5
107.08592	21.9
109.02886	4.1
109.06505	5.1
109.10159	77.9
110.85529	1.2
111.04415	7.9
111.08085	11.1
113.05993	1.3
116.04700	5.4
117.07012	6.3
119.08579	18.9
121.06492	4.8
121.10162	8.8
123.04414	3.7
123.08054	5.0
125.05975	1.6
125.08773	2.0
125.09638	26.4
127.03858	2.4
127.11177	2.6
129.05486	17.6
129.06993	5.0
130.07750	2.0
131.08575	7.0
133.06462	1.6
133.10136	8.0
135.08022	3.4
135.11684	11.4
137.09676	6.1
143.07011	4.9
145.10138	12.4
147.08052	3.6
147.11668	5.0
149.09586	4.5
151.11220	2.1
153.09084	1.7
153.12755	8.8
155.08557	1.8
155.10635	8.8
157.08617	6.9
157.09995	2.8
158.05721	1.3
159.34930	1.4
163.11177	24.8
164.11882	1.3
171.06488	2.0
171.10144	2.1
173.09628	4.8
173.11755	26.5
175.11198	3.4
181.12326	6.6
185.08096	1.6
189.11185	4.2
191.10709	7.4
193.12276	6.1
197.11836	1.4
199.09613	1.5
199.13301	18.5
200.14001	1.4
209.11743	13.2
209.91066	1.2
211.13345	3.2
223.13264	2.7
227.12769	16.3
229.14346	56.1
230.14743	1.8
241.14395	2.3
243.15591	1.2
249.14622	1.2
255.15794	2.0
267.15839	11.4
269.10651	1.2
269.17288	1.7
271.15436	2.8
283.15424	12.6
284.15887	1.7
285.16681	1.2
301.16449	28.2
315.17960	4.9
324.31329	1.4
326.24802	2.2
329.15707	1.5
353.23108	3.3
383.24078	4.9
409.25888	1.5
421.25842	3.9
437.25104	5.9
438.26050	3.6
444.11459	1.4
455.26416	25.6
477.27478	1.8
507.89639	1.3
541.30023	16.7
542.29956	1.4
559.30908	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	755.4545
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.8
54.57503	0.5
55.01872	0.7
55.05514	5.2
57.03446	3.7
57.07081	5.3
59.04985	1.2
59.48883	0.5
60.08157	1.3
61.02935	5.2
63.75854	0.6
67.05508	8.7
68.05820	0.7
69.03434	3.8
69.07079	3.8
69.22531	1.2
69.22935	3.5
71.01357	0.7
71.04996	1.2
71.07354	0.6
71.08633	3.8
73.02914	4.0
79.05488	4.8
79.89306	0.5
81.03424	4.5
81.07065	6.6
83.04964	1.5
83.08620	3.9
85.02912	5.6
85.10183	2.1
86.09708	8.1
87.04472	1.4
87.10030	0.7
91.03946	2.4
91.05496	3.2
93.07063	3.0
95.04964	1.5
95.08606	5.4
95.38892	0.5
96.08958	0.7
97.02888	4.5
97.06527	1.3
97.10163	3.4
98.98482	0.7
99.04488	0.6
101.02388	1.4
104.10760	0.7
105.07037	1.5
107.04947	0.6
107.08585	2.6
109.02870	1.0
109.10158	5.7
110.10501	0.8
111.04504	1.0
111.08089	1.1
111.11720	0.6
114.47568	0.6
119.08624	1.5
121.10159	2.5
123.08060	0.5
123.11720	1.2
125.00018	6.6
125.09662	2.0
126.09966	0.7
127.03902	1.0
129.06985	0.7
131.08600	1.4
133.10156	0.8
135.11665	0.6
137.09573	0.6
147.11716	1.4
149.09647	1.8
157.10126	0.7
173.11761	1.2
184.07341	23.1
185.04289	0.9
185.07697	3.0
193.12189	1.2
199.13373	0.6
209.11763	0.5
229.14365	5.2
230.14822	2.5
243.08492	2.2
267.16074	0.8
283.15250	5.3
284.15759	0.7
301.16379	2.7
302.16800	1.6
311.25879	1.0
313.27353	8.6
314.27707	7.5
339.17880	0.9
361.94867	0.6
436.93463	0.6
438.37451	0.6
455.37268	0.8
456.37848	1.3
467.37573	1.3
468.37897	2.4
469.20697	0.9
495.29294	7.6
500.56088	0.6
501.23083	13.4
522.38654	0.6
539.39136	0.8
540.39789	2.9
593.40259	0.6
650.43866	0.6
651.44244	3.1
755.45599	100.0
756.45673	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	754.4946
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.1
55.01864	2.6
55.05513	32.2
57.03435	15.1
57.07077	32.2
59.04997	3.0
60.08154	1.4
61.02917	2.3
63.62029	0.8
63.97102	0.8
65.03946	1.4
67.05506	49.5
69.03436	4.1
69.07066	12.5
70.63531	1.9
70.63872	0.9
71.04996	3.0
71.08631	21.9
73.02905	1.5
79.05497	16.8
81.03426	4.2
81.07057	24.4
83.04997	4.3
83.08620	16.1
85.02905	16.9
85.06529	2.1
85.10183	13.0
86.09711	9.6
87.04476	7.4
89.06051	1.7
91.05489	6.2
92.52792	0.9
93.07026	5.7
95.05014	1.0
95.08607	22.3
97.02889	2.9
97.06535	1.5
97.10170	23.9
98.98500	1.0
99.04475	1.1
99.11731	1.1
103.03940	1.9
103.07610	1.6
105.07056	1.3
107.04939	1.7
107.08603	9.2
109.10156	36.5
111.08076	2.1
111.11708	0.8
117.07018	1.2
119.08591	4.0
119.88268	0.9
121.10144	2.5
122.44456	1.0
123.11718	2.8
125.00005	5.8
125.09632	19.9
133.10138	1.2
135.11703	2.1
137.09657	1.6
137.37047	1.0
143.10646	4.8
145.10150	1.9
151.14833	0.9
153.12784	1.4
155.10651	3.0
161.11298	0.9
163.11197	2.8
173.09628	1.8
173.11728	8.7
181.12332	1.1
184.07336	31.4
185.07701	1.2
186.07829	1.2
191.10756	2.5
199.13297	13.6
209.11766	3.3
217.14407	0.9
227.12813	12.3
229.14346	41.2
239.23738	3.5
257.13931	1.1
257.24838	1.5
267.15994	1.4
283.15289	4.6
301.12952	1.2
301.16440	32.0
313.27362	100.0
314.27719	2.8
319.17392	2.8
341.26883	2.6
344.71857	1.0
345.73703	1.1
437.36359	5.3
455.37289	16.1
467.37350	25.6
539.39459	15.9
557.40375	6.8
650.44244	1.6
729.59753	1.0
754.48022	1.7
755.44073	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	754.4894
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	0.7
55.05275	0.4
55.05516	5.3
55.53256	0.2
56.05030	0.8
57.03227	0.3
57.03440	2.3
57.06792	0.3
57.07076	6.2
58.06606	0.5
59.04988	0.7
59.07386	0.4
60.07893	0.4
60.08169	5.3
61.02926	0.6
67.05508	8.6
69.03425	0.4
69.07078	2.2
70.03365	0.2
71.01351	0.3
71.04974	0.5
71.07379	3.3
71.08244	0.3
71.08633	4.6
71.17684	0.6
79.05501	2.9
81.03412	0.9
81.07063	5.4
83.04968	0.8
83.08620	3.4
85.02905	2.7
85.10188	2.5
86.09711	28.0
87.04482	0.5
88.07617	0.5
89.05998	0.3
91.03985	0.3
91.05493	1.4
93.07039	2.0
95.04987	0.4
95.08054	0.4
95.08612	5.0
97.02885	0.8
97.06511	0.3
97.09563	0.3
97.10181	4.0
98.98469	3.0
103.03946	0.3
104.10743	2.4
105.07024	0.6
107.04945	0.4
107.08611	2.0
109.10165	6.4
111.04468	0.5
111.08079	0.3
111.41879	0.3
119.08591	0.5
121.10123	0.7
123.11687	0.8
125.00013	19.4
125.09637	3.2
131.08575	0.5
133.10136	0.4
135.11736	0.6
143.10626	0.7
145.10149	0.3
155.10683	0.4
163.11150	0.7
173.11711	1.4
184.07350	100.0
185.07678	0.7
191.10709	0.4
199.13287	1.8
209.11690	1.4
227.12791	1.6
229.14383	7.0
238.52731	0.3
239.23668	0.7
257.13879	0.3
257.24774	0.5
267.15961	0.3
270.24332	1.0
283.15408	1.2
299.14792	0.4
300.15283	0.3
301.13370	0.5
301.16495	4.9
313.27386	15.9
314.27847	0.5
341.27176	0.3
437.36417	0.8
455.37448	2.4
467.37448	3.6
468.36954	0.3
521.38434	0.7
539.39490	3.9
557.39642	0.5
571.38849	0.4
613.46924	0.7
650.43890	10.0
651.44415	0.3
754.48572	6.8
755.45392	1.3
774.14819	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	754.4865
Annotation	Unknow
Peak:m/z	Relative Intensity
53.37206	0.2
55.01868	0.2
55.05518	1.0
55.46855	0.1
56.05024	0.6
57.03427	0.5
57.07078	1.3
58.06607	0.6
59.04999	0.1
59.07368	0.2
60.08164	5.8
61.02911	0.3
63.07291	0.1
67.05506	1.7
69.03427	0.2
69.07053	0.4
69.42726	1.0
69.43500	0.1
69.67878	0.1
69.74810	0.1
70.06583	0.2
71.07372	2.8
71.08623	0.9
76.72919	0.1
79.05482	0.7
81.03413	0.3
81.07055	1.5
83.04964	0.2
83.08606	0.7
85.02895	0.3
85.10173	0.4
86.09705	29.2
87.10030	0.3
91.05475	0.5
93.07044	0.5
95.04940	0.2
95.08608	1.1
97.02892	0.2
97.06507	0.2
97.10172	0.6
98.98460	2.3
103.39682	0.2
104.10748	2.2
105.07027	0.2
107.04948	0.2
107.08607	0.6
109.10165	1.5
117.07037	0.2
119.08599	0.3
121.10141	0.3
123.11686	0.2
125.00002	17.9
125.09643	0.4
131.08530	0.3
133.10147	0.2
135.11685	0.2
138.53775	0.2
143.01091	0.2
144.26166	0.1
145.10138	0.2
163.11160	0.3
166.02672	0.2
172.25162	0.1
173.11703	0.3
184.07336	100.0
185.07726	1.0
186.07852	0.2
191.10715	0.2
209.11746	0.3
227.12793	0.3
229.14360	1.0
231.90489	0.1
240.54408	0.2
279.15872	0.3
283.15521	0.5
297.17068	0.2
300.15222	0.2
301.16455	1.1
313.27328	2.9
314.27689	0.2
373.36255	0.1
405.33304	0.1
407.18057	0.2
455.37170	0.3
467.37418	0.5
521.38385	0.4
539.39545	0.9
557.39423	0.4
571.39709	0.2
613.47943	0.2
650.43896	9.6
651.44647	0.3
695.38470	0.2
718.49554	0.3
754.48492	5.7
755.45264	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	754.4865
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	0.1
55.05504	0.5
56.05042	0.8
57.03424	0.2
57.07057	0.6
57.68756	0.1
58.06614	0.8
59.04988	0.1
60.08167	5.3
62.90450	0.1
67.05504	1.2
69.03437	0.2
69.07065	0.4
71.06989	0.2
71.07374	3.2
71.08627	0.5
71.52532	0.1
71.89544	0.1
79.05489	0.7
81.03410	0.2
81.07060	0.8
82.03737	0.2
83.04955	0.2
83.08577	0.3
85.02873	0.3
85.10175	0.2
86.09705	29.1
91.05481	0.4
93.07044	0.6
95.08605	0.6
97.10184	0.2
98.98460	2.7
104.10750	2.4
105.07042	0.2
107.08575	0.4
109.10162	0.5
111.04385	0.2
119.08573	0.3
125.00004	18.2
131.08601	0.2
133.10120	0.2
135.11716	0.2
139.55325	0.1
143.01051	0.2
144.61754	0.1
145.10101	0.3
163.11134	0.2
173.09735	0.2
181.73865	0.1
184.07339	100.0
185.07768	0.6
209.11760	0.4
229.14412	0.2
283.15536	0.3
299.14810	0.2
301.16266	0.6
313.27341	1.6
314.27765	0.2
357.60223	0.2
361.71875	0.1
376.35352	0.2
377.30795	0.1
400.41165	0.1
467.37311	0.2
521.38477	0.4
536.54370	0.1
539.39111	0.4
595.47272	0.6
650.43970	8.5
651.43542	0.3
651.54120	0.1
722.47009	0.1
754.48590	9.1
755.45770	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	754.4736
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	7.1
53.64375	1.9
55.01865	4.2
55.05511	23.8
57.03431	7.6
57.07074	3.5
57.64410	1.8
57.77953	1.7
61.02907	2.0
65.03937	4.1
67.05508	70.8
69.03395	2.7
69.07079	18.3
69.25684	10.2
69.26106	6.2
71.04999	5.1
77.03921	2.2
79.05501	97.3
81.03445	9.2
81.03842	2.3
81.07062	63.5
83.04991	12.4
83.08625	10.8
84.71004	1.9
85.02950	2.2
85.06537	4.3
91.05488	90.9
93.07049	96.3
94.07329	2.9
95.04977	23.9
95.08063	3.2
95.08614	46.3
97.02876	2.2
97.06522	6.1
97.10171	6.3
98.20695	3.1
99.08086	2.8
103.88811	1.7
105.04513	2.8
105.07040	90.3
107.04962	10.0
107.08598	40.0
109.06544	4.7
109.10161	13.3
111.08083	2.7
117.07034	19.4
117.37370	2.0
119.08590	70.2
121.06514	5.1
121.10155	20.1
123.08084	9.7
123.11707	3.2
125.09662	2.1
125.29211	1.9
128.06200	3.2
129.07014	23.7
130.07832	2.0
131.08572	25.2
133.06493	2.8
133.10141	46.0
135.08070	3.3
135.11696	19.4
137.09596	3.2
141.09077	2.1
142.07790	2.5
143.08560	17.7
145.10132	29.3
147.08080	2.4
147.11697	59.8
149.09612	2.7
149.13269	11.1
150.66109	2.0
155.08556	2.4
157.10149	8.7
159.11702	17.7
161.09644	5.4
161.13252	37.6
163.11179	2.1
163.14796	4.6
169.10129	5.3
171.11691	37.4
173.13258	10.0
175.14841	13.7
183.11700	2.6
184.07367	6.2
185.13277	9.6
187.11256	2.4
187.14835	3.7
189.12737	8.4
199.14853	6.5
205.12155	2.9
207.13795	22.7
209.13358	2.3
213.16336	2.9
217.19704	3.0
231.17363	1.8
231.21111	5.3
241.19553	28.5
243.21088	2.8
257.19016	4.5
259.20599	68.3
261.22208	3.9
275.19861	2.2
277.21628	3.2
279.15881	22.1
281.17490	77.9
283.19162	3.9
304.89450	1.9
315.23239	7.6
333.24286	47.1
447.32507	7.5
465.33508	6.3
483.34607	7.1
521.36267	5.6
539.37366	100.0
540.38019	2.7
557.38599	27.7
701.41815	2.7
746.72321	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	754.4219
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	8.7
55.01872	10.5
55.05511	32.8
57.03187	2.1
57.03440	23.0
59.05001	28.2
61.02914	4.9
65.03951	3.6
67.05508	83.9
67.32636	1.4
68.67057	1.5
69.03433	9.8
69.07066	11.2
70.00117	2.3
70.00517	3.5
70.06595	1.5
71.01353	3.5
71.04991	16.6
73.02892	2.9
77.64587	1.3
79.05498	41.3
81.03422	100.0
81.06590	3.0
81.07061	48.0
83.04974	16.4
83.08622	29.8
85.02918	9.6
85.06554	8.0
87.04469	23.5
91.03951	2.9
91.05483	49.0
93.07047	39.1
95.04971	31.5
95.08602	21.5
97.02892	16.9
97.06527	10.9
97.10184	13.7
99.04472	9.3
99.08102	3.1
105.07032	31.6
107.04942	16.4
107.08596	25.2
109.02879	5.3
109.06525	9.5
109.10163	51.2
111.04440	10.3
111.08079	12.3
113.06046	1.7
115.05422	2.3
117.07032	12.0
119.08580	29.6
121.02869	3.5
121.06506	10.4
121.10158	25.6
123.04427	6.9
123.08070	5.2
123.11678	1.8
125.05978	2.3
125.09644	15.9
127.03951	3.3
128.06253	2.7
129.05505	2.1
129.06998	14.9
130.07765	1.8
131.04980	2.0
131.08568	23.6
133.06483	6.0
133.10147	19.3
135.04434	5.6
135.08055	6.4
135.11696	11.6
137.05981	4.1
137.09618	4.7
139.03914	3.6
141.06950	1.7
142.07819	4.2
143.08539	4.5
145.06487	3.7
145.10123	18.2
147.04427	3.6
147.08018	7.3
147.11688	15.5
147.64009	1.6
149.06035	1.5
149.09605	22.9
149.13298	2.3
151.11200	3.1
151.25250	1.4
153.09140	4.6
153.12730	8.7
155.08505	2.0
155.10594	2.6
157.06572	2.2
157.10114	17.6
159.11697	3.1
161.06035	4.2
161.09634	3.5
161.13152	2.4
163.03876	2.8
163.11188	16.4
165.12743	3.8
167.10690	2.4
171.08015	2.1
171.11670	1.7
173.04547	1.7
173.09659	2.6
173.11748	11.7
175.11203	15.8
181.10188	1.7
181.12248	7.6
183.11674	2.8
184.07349	1.7
185.09645	2.3
185.13260	3.6
187.11192	3.2
189.05472	2.5
189.09375	1.9
189.11235	9.4
189.12686	1.7
191.10715	7.9
193.12247	49.7
197.15332	2.4
199.11476	1.8
199.13301	6.0
199.14899	2.0
205.12276	2.6
207.13782	2.1
209.11716	11.4
211.11366	2.0
211.13281	34.2
213.12833	2.1
215.10706	2.1
215.24785	1.4
217.12288	1.6
217.14316	2.9
219.13744	3.8
221.15509	1.8
223.13319	5.5
225.14787	8.2
227.12756	19.1
229.12292	2.3
229.14336	42.9
231.13847	4.3
235.13243	3.6
239.16272	1.6
241.14345	4.3
241.18130	2.5
243.13828	1.6
247.13428	7.0
249.14793	11.9
259.13220	2.8
259.15594	1.8
265.14606	1.7
267.15915	64.7
268.16077	2.0
271.13275	1.9
273.14883	3.1
279.15787	1.7
281.13739	2.1
283.15399	12.7
285.17148	2.5
295.15598	1.8
299.14908	2.0
299.18384	2.0
303.04871	1.6
309.16995	2.8
315.17877	7.0
319.20578	1.5
337.21509	4.5
347.19772	2.6
355.22659	7.3
365.21140	8.8
373.23724	5.0
383.22079	20.5
391.24854	1.6
401.23221	18.4
409.25562	2.3
415.24777	2.8
419.23804	3.1
421.25891	28.7
433.25891	6.1
447.27438	2.9
453.24429	3.4
457.26025	10.9
459.27371	2.4
475.26898	43.6
476.27307	1.5
489.28635	5.0
493.27982	10.1
507.29547	20.9
525.30920	8.3
592.33105	9.5
754.42578	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	753.4071
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	7.5
54.40774	2.7
55.01868	5.7
55.05521	17.6
57.03425	6.5
57.07091	4.0
61.02931	4.5
65.03935	5.3
67.05501	24.2
68.99797	3.6
69.03431	24.7
69.07068	18.3
69.38140	19.6
71.04995	4.8
73.02924	5.2
79.05502	34.3
81.03434	25.4
81.07056	59.7
81.75443	3.0
83.04995	7.0
83.08614	11.7
85.02386	3.5
85.02910	55.7
87.00832	25.6
87.01828	2.6
91.05487	34.2
93.07057	55.1
95.04975	14.1
95.08610	73.2
97.02898	33.6
97.06536	4.4
97.10175	5.4
99.04427	9.3
99.08098	17.8
105.01858	24.8
105.07029	79.2
107.04926	3.9
107.08601	81.3
109.02886	19.5
109.06515	8.3
109.10162	31.8
115.05452	4.3
117.07023	16.3
119.08585	92.5
121.06473	3.6
121.10162	42.1
123.04444	4.3
123.08086	7.7
123.11696	8.3
125.09617	4.1
127.03932	40.2
129.06992	9.8
130.07800	4.8
131.08575	63.0
133.10133	60.0
135.08089	4.0
135.11723	24.2
137.05951	2.6
139.03943	3.1
142.07742	7.9
143.08565	29.2
144.09305	2.6
145.04958	13.7
145.10130	89.3
147.11693	63.2
149.09589	3.3
149.13261	74.3
155.08524	13.2
156.09383	7.6
157.10156	41.3
159.02884	9.8
159.08069	3.5
159.11691	65.2
161.13280	42.7
163.03938	6.4
163.07477	2.8
163.11235	2.7
163.14778	12.4
167.08479	3.1
169.10115	17.6
170.10854	3.6
171.11676	27.3
173.13264	43.7
175.11183	3.4
175.14842	42.8
176.73222	2.6
177.12804	2.8
177.16434	8.6
179.14383	6.4
181.10075	7.3
182.10963	3.5
183.11737	20.2
185.13268	34.6
187.11172	3.3
187.14827	71.5
187.16475	4.6
189.09071	2.8
189.16396	21.8
191.14337	5.5
193.10175	5.5
193.12230	2.7
193.15834	4.3
195.11731	11.3
197.13225	17.9
199.14847	48.2
201.12743	3.5
201.16389	75.9
203.14331	26.0
203.17975	12.7
205.15895	21.2
207.11760	3.7
208.12500	2.8
209.13278	9.7
211.14836	23.0
213.03996	3.1
213.16380	27.5
215.14394	5.9
215.17967	8.1
217.15907	17.4
219.13794	5.5
219.17445	14.7
221.13380	6.3
221.15417	15.0
223.14839	7.7
223.16939	3.4
225.16367	15.5
227.17946	12.8
229.15919	6.5
229.19531	3.9
231.05037	8.2
231.13718	3.4
231.17505	7.9
233.15556	5.0
235.14810	5.0
237.16420	12.4
239.17970	9.9
241.19574	4.1
243.17435	5.2
245.15405	8.5
247.16977	6.8
249.18553	3.4
251.18010	7.0
253.19403	5.9
259.17056	3.9
263.18112	5.1
265.19498	7.5
277.19852	4.9
279.21140	8.7
281.22638	7.1
288.63766	3.1
293.22818	3.0
295.24081	4.1
297.18692	2.8
305.22495	3.7
307.24249	7.3
317.22742	3.2
325.21600	3.4
327.23218	3.1
333.25827	7.3
341.09122	2.5
349.28885	7.8
353.24832	3.7
367.30048	21.5
375.30289	4.1
387.30408	23.3
393.31500	9.6
395.29459	19.5
405.31519	81.1
407.33167	6.4
411.32962	6.1
413.30466	27.4
421.30966	8.1
423.32648	70.2
425.17941	4.4
433.31046	49.4
439.32004	7.8
441.33804	17.4
451.32086	100.0
469.33127	35.5
487.33609	11.1
505.33585	17.7
533.33081	7.7
635.35754	3.8
649.37030	6.2
667.38885	16.4
709.39697	31.6
753.39008	52.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	753.4051
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	7.1
55.01863	5.3
55.05522	19.1
57.03419	5.4
61.02929	6.6
65.03947	4.3
66.00204	2.7
67.05515	29.2
69.03432	25.9
69.07073	18.8
69.67390	19.8
71.01355	3.4
71.04988	9.0
73.02917	4.8
73.97226	3.5
78.45940	2.8
79.05492	25.1
81.03420	26.7
81.07058	62.0
83.04957	6.4
83.08614	14.1
85.02431	5.4
85.02907	69.9
85.79982	3.0
86.14198	3.0
87.00826	29.3
87.85628	2.8
91.03970	3.3
91.05481	35.0
93.07046	57.8
95.04955	10.4
95.08605	67.6
96.08882	3.3
97.02905	33.3
97.06519	7.1
97.10152	6.4
99.04455	10.8
105.01870	23.3
105.07040	64.6
107.04914	5.6
107.08598	70.7
109.02898	20.8
109.06516	6.0
109.10162	42.2
111.08074	4.8
117.06983	17.1
119.08585	100.0
121.06544	5.5
121.10142	40.1
123.04401	4.7
123.08036	6.7
123.11689	9.2
125.09581	4.6
125.66103	3.1
127.03921	38.3
127.07619	4.4
128.06203	4.0
129.06979	11.7
131.08568	48.7
133.10143	62.6
135.11659	17.8
139.01958	3.0
141.07127	3.6
143.08569	30.1
145.04993	10.8
145.06570	3.9
145.10127	69.6
147.08066	4.5
147.11697	51.3
149.09679	4.9
149.13255	72.8
155.08540	13.7
156.09296	5.7
157.10115	30.3
159.02922	7.9
159.11700	48.8
161.09618	4.0
161.13254	48.4
163.03885	5.7
163.07419	4.1
163.11230	4.2
163.14819	26.4
165.07008	3.8
165.09088	4.1
167.08545	4.3
169.10103	12.1
171.11708	23.2
173.09747	3.4
173.13263	55.8
175.14810	39.7
177.16406	15.3
178.06345	3.2
181.10146	3.8
182.10738	3.6
183.11664	15.1
185.13290	38.5
187.14832	66.2
189.12718	5.8
189.16386	35.9
191.10611	3.8
191.14304	16.2
191.17964	5.6
195.11754	7.8
197.13280	10.9
199.14828	37.4
201.12720	5.3
201.16394	82.2
203.14346	42.4
203.17944	49.9
205.15886	20.5
207.11754	6.0
209.13307	9.5
211.14839	14.3
213.16373	35.4
215.14377	6.3
215.17972	14.3
217.15883	13.9
217.19345	4.8
219.17432	12.4
221.13300	5.2
221.15344	32.8
223.14832	7.3
225.16379	12.1
227.17900	4.7
229.15889	7.9
229.19508	5.0
231.05019	8.7
231.17374	7.4
235.16982	4.3
237.16472	14.7
239.18036	7.5
241.19557	5.0
245.15428	6.4
247.16934	26.4
249.14900	14.0
249.18494	9.9
251.17918	4.2
253.19542	3.1
256.75882	3.4
277.19473	4.3
279.21054	6.8
281.22580	7.1
307.24323	5.6
367.29526	3.0
375.30594	4.7
387.30527	21.3
389.32089	6.5
393.31525	6.8
395.29410	13.6
405.31509	48.8
413.30396	9.3
421.30920	10.8
423.32730	41.7
425.33954	8.0
433.31107	43.2
439.31866	10.1
441.33295	9.2
450.21790	3.6
451.32104	89.6
469.33096	41.1
487.34302	9.9
505.34070	3.7
753.38678	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	752.5149
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	2.0
53.99213	0.5
55.01857	1.4
55.05517	6.4
57.03439	14.5
57.07079	24.9
57.07342	1.1
65.03931	0.8
67.05501	10.5
69.03403	2.0
69.07066	6.2
70.67197	1.1
70.67544	0.7
71.04974	1.0
71.08635	18.5
74.29140	0.5
78.77055	0.6
79.05492	6.4
81.03419	53.3
81.07062	13.4
83.04954	2.5
83.08170	1.0
83.08620	17.3
83.52244	0.6
85.02885	0.7
85.09738	0.8
85.10186	10.9
89.06039	1.5
89.80281	0.5
91.04990	0.7
91.05483	10.0
93.07035	4.2
95.04974	15.2
95.08604	15.1
97.02863	2.0
97.06512	0.8
97.10165	3.7
99.08089	0.6
99.11664	0.6
103.05468	0.5
103.07584	0.7
105.07043	6.4
107.04941	4.2
107.08570	2.0
109.06478	1.8
109.10159	6.1
111.04408	1.3
111.08096	4.4
115.05400	0.6
117.06944	0.6
119.08575	6.5
121.06464	0.8
121.10123	3.4
123.04377	0.7
123.08048	0.9
123.11701	2.8
125.09634	0.8
129.07018	5.7
131.08554	5.3
133.06441	1.7
133.10100	2.4
137.09630	0.8
137.13187	0.6
142.07693	1.0
147.08035	2.3
147.11664	4.2
149.09598	3.6
157.10139	6.4
163.11215	0.9
165.12747	0.8
175.11212	6.6
184.07301	1.1
193.12248	20.8
205.12257	0.8
211.13286	1.6
235.13260	1.0
239.23676	2.1
249.14766	1.4
249.88885	0.6
257.24747	1.3
266.38574	0.6
267.15921	100.0
268.16324	1.3
301.14267	0.7
309.16833	1.4
313.27368	92.1
314.28024	1.6
319.15363	0.7
505.38898	78.3
506.38971	2.8
523.40198	1.6
547.39893	2.3
565.41125	1.0
601.41418	1.2
656.51575	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	752.5153
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03910	1.3
55.01850	0.9
55.05515	6.2
57.03440	11.3
57.07079	27.4
61.02916	0.7
67.05508	12.5
69.03412	1.7
69.07068	6.5
70.80319	1.3
71.04984	1.2
71.08634	22.1
76.83889	0.6
79.05496	7.7
81.03419	56.3
81.07058	14.9
83.04977	2.8
83.08620	18.0
85.02876	0.8
85.06522	1.0
85.09731	1.0
85.10184	10.5
89.05988	1.6
91.05000	0.6
91.05489	9.1
93.07044	5.0
95.04392	0.9
95.04967	15.1
95.08607	16.5
97.02879	2.0
97.06500	0.7
97.10177	5.1
99.11693	1.1
103.07581	1.0
105.07027	7.2
107.04929	3.7
107.08584	3.0
108.46520	0.5
109.06493	2.4
109.10159	7.3
111.04431	1.0
111.08079	4.5
111.11710	0.5
115.05450	1.2
117.07031	0.8
119.08585	7.6
121.06532	1.4
121.10149	3.4
123.04448	1.2
123.08067	0.7
123.11717	3.2
125.09611	1.1
128.24191	0.6
129.06985	5.6
131.08575	5.7
133.06464	1.7
133.10115	3.3
135.11632	0.7
137.09642	1.2
137.13239	1.2
142.07765	1.0
145.10065	0.8
147.08018	2.4
147.11694	5.5
149.09624	3.6
157.10127	7.1
161.09657	0.7
165.12721	1.7
165.16473	0.8
175.11186	7.8
184.07315	1.9
193.12242	22.5
197.73929	0.6
211.13289	1.3
235.13365	1.1
239.23671	1.7
249.14897	1.8
257.24756	2.0
259.13153	0.8
267.15918	100.0
268.16211	1.5
273.14764	0.8
294.18048	0.6
301.14368	0.8
309.17072	1.2
313.27368	99.0
314.27771	2.2
325.89120	0.5
332.96191	0.6
338.29401	0.6
339.50970	0.7
383.34207	0.6
505.38885	85.1
506.39532	2.7
523.39630	0.8
547.39990	3.3
601.41962	1.0
613.40747	1.4
613.97797	0.8
631.42139	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	752.4577
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	4.9
55.01878	10.8
55.05509	10.5
57.03434	4.7
57.45182	1.4
58.52128	1.4
65.03921	1.8
67.05511	27.1
69.03432	2.1
69.07072	14.9
70.18718	1.3
70.76953	1.3
71.52358	1.4
77.12813	1.7
79.05497	26.1
81.03410	6.1
81.07060	27.6
83.04981	2.6
83.08614	6.2
85.02853	2.1
85.06557	1.7
91.05486	35.8
93.06481	2.4
93.07050	28.5
95.01333	4.1
95.04973	7.7
95.08609	20.3
95.24960	1.3
97.02917	2.0
97.06551	20.4
97.10176	1.5
99.08062	1.5
99.26871	1.3
105.07041	35.7
107.04975	8.1
107.08598	11.4
109.06519	5.5
109.10165	6.8
111.08077	2.2
117.07014	8.1
119.08591	27.6
120.65722	1.5
121.06506	3.3
121.10152	6.0
123.04417	2.5
123.08059	3.2
124.25307	1.4
125.34213	1.5
127.83993	1.8
129.06989	5.9
131.08589	10.6
133.06482	1.7
133.10147	18.8
135.11699	5.5
141.06958	1.6
142.91597	1.5
143.08566	2.5
145.10158	7.3
147.08064	1.5
147.11690	12.7
149.09637	5.5
159.11710	5.9
161.09711	2.2
161.13206	4.4
162.70158	1.4
163.11162	4.0
169.10226	1.9
171.11748	6.9
174.82973	1.3
179.14333	5.0
184.07295	2.3
187.11263	1.6
189.12764	1.8
207.13895	3.8
230.60089	1.4
254.80400	1.3
255.15994	1.5
275.20105	31.6
279.15918	2.5
281.17487	24.9
293.21320	1.7
301.16519	2.2
311.25784	2.7
349.23746	17.5
519.36633	1.9
537.36389	3.0
555.36847	100.0
556.37378	2.5
573.38110	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	751.3901
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	6.4
55.01861	5.8
55.05508	23.1
56.96550	2.9
57.03416	7.1
57.07078	4.7
58.42049	2.3
59.05006	3.0
61.02923	6.3
65.03928	3.0
67.05177	3.2
67.05505	41.1
69.03427	27.3
69.07074	17.9
70.06584	6.8
71.04979	6.5
71.53011	3.4
72.08158	3.5
73.02916	3.5
74.02437	8.7
79.05482	19.2
81.03423	40.5
81.07057	39.1
83.05002	14.7
83.08630	21.1
84.08141	5.0
85.02904	38.9
85.06551	3.5
87.00833	17.3
87.05585	10.9
89.03899	2.3
91.05475	29.7
93.07042	42.0
95.04959	18.5
95.08066	3.6
95.08614	46.0
96.08150	2.4
97.02887	20.7
97.06552	13.3
97.10119	3.0
98.97557	3.0
99.04448	7.6
103.05444	2.6
105.01833	7.4
105.07027	46.4
107.04963	5.8
107.08595	50.6
109.02858	13.5
109.06519	7.1
109.10157	54.2
111.04420	2.5
111.08074	12.3
112.91339	2.2
115.05520	3.3
117.03387	4.3
117.07005	12.1
119.04868	2.4
119.08586	82.7
121.06514	7.7
121.10149	45.1
123.04404	3.1
123.08031	5.3
123.11689	10.1
125.09638	6.2
127.03915	23.6
127.11195	3.6
127.45519	2.3
128.06241	3.6
129.06992	12.7
131.04939	4.0
131.08566	40.4
133.06085	54.3
133.10132	57.5
135.08037	5.8
135.11668	17.1
137.05972	4.7
137.09572	5.7
137.13261	4.8
137.15860	2.7
139.03893	6.5
142.07771	6.1
143.08563	26.0
144.09344	4.3
145.02800	5.2
145.04944	6.6
145.06427	2.7
145.10126	64.0
147.08049	8.3
147.11670	27.0
149.05984	3.6
149.09624	8.6
149.13310	11.2
151.11115	2.8
153.09148	2.8
155.08521	12.3
155.10677	3.6
156.09341	5.5
157.10127	36.0
158.10901	3.0
159.02875	7.7
159.08154	2.2
159.11702	48.8
161.09634	6.3
161.13263	26.2
163.03882	11.6
163.07545	4.3
163.11131	4.3
163.14838	12.2
165.06952	2.6
167.07195	2.4
167.08591	3.2
169.10091	23.6
170.10843	7.4
171.11684	31.1
173.11795	4.5
173.13231	38.6
175.03882	2.9
175.07468	4.0
175.11157	4.2
175.14851	29.7
177.05476	8.6
177.12756	5.4
177.16348	7.1
179.14319	5.6
181.04927	10.0
181.10167	11.8
181.15802	2.8
182.10890	3.6
183.11697	24.6
185.13254	50.9
187.14812	51.1
189.12761	13.4
189.16344	12.2
191.14333	14.1
191.17921	3.2
193.10130	6.5
193.12274	7.0
193.15791	3.6
194.10860	3.7
194.51372	2.5
195.11688	10.4
197.13251	18.6
199.14825	36.4
201.12723	7.3
201.16389	37.8
203.14293	26.4
203.17941	15.2
205.15881	12.1
207.11771	4.8
209.13248	9.4
211.14841	10.6
213.16388	21.4
215.14311	13.8
215.17821	3.5
217.15866	16.9
219.17444	8.2
221.13264	3.8
221.15369	4.5
222.13998	2.9
223.14754	7.7
225.16388	9.4
227.17967	8.9
229.14209	35.1
231.13864	3.1
231.17438	6.6
233.15337	3.6
234.11258	8.4
235.14832	11.6
235.16899	6.1
237.16396	49.5
239.17946	15.0
241.19508	4.9
243.17543	4.0
245.15312	7.9
247.16982	7.6
249.14694	29.3
251.18134	13.4
253.19525	8.9
254.13815	2.7
255.17427	9.4
259.09659	5.9
259.16946	5.0
261.14804	3.0
265.19556	4.9
267.15924	29.9
267.20935	4.3
269.19055	3.0
273.03775	2.9
275.18030	2.8
277.19467	4.8
279.20932	2.9
283.16971	5.5
293.22836	3.8
297.18533	3.3
303.04956	10.6
305.22391	3.6
319.24240	4.9
329.10269	4.1
331.24136	2.9
365.24786	3.4
367.22519	5.9
373.28790	3.9
375.30591	3.0
385.28738	9.2
387.30414	9.7
391.29999	8.5
403.24890	6.2
403.29947	47.4
405.31857	11.9
409.30850	7.6
419.29288	8.7
421.25742	30.4
421.31003	32.7
423.32480	7.1
431.29343	22.8
437.30545	25.9
439.32019	7.7
449.30499	90.1
450.30661	3.0
455.31656	13.5
465.29935	2.7
467.31613	100.0
468.32007	3.4
485.32758	19.5
503.33670	13.0
545.30927	3.6
733.37091	3.1
751.36847	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	750.4992
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	2.5
55.01865	0.9
55.05512	13.6
57.03437	11.6
57.07079	7.3
59.04976	0.6
60.08148	1.6
65.03922	0.7
67.05505	17.9
69.03418	1.7
69.07066	20.3
70.46357	0.6
70.46703	2.1
71.04989	1.6
71.08614	2.6
79.05495	11.2
81.03417	55.8
81.07056	23.8
83.04967	2.6
83.08618	22.6
83.09124	1.1
83.98621	0.6
85.02877	1.4
85.06528	1.4
85.10164	2.0
86.09705	6.8
87.04456	2.2
91.05481	10.3
93.07040	11.1
94.12518	0.6
95.04378	0.9
95.04971	15.1
95.07986	0.8
95.08604	15.9
97.02892	1.9
97.06517	3.7
97.10169	10.2
98.98453	1.1
99.08079	1.2
105.07025	8.3
107.04946	2.6
107.08588	5.7
109.06503	2.2
109.10153	6.3
110.97567	0.7
111.04430	1.5
111.08091	6.1
111.11704	1.6
117.07018	1.0
119.08572	8.1
121.06573	1.5
121.10138	12.2
123.04426	1.1
123.08092	0.7
123.11684	2.9
124.99965	4.3
125.09633	1.8
129.07008	5.8
131.08582	5.0
133.06487	2.0
133.10141	2.8
135.11682	6.6
137.09615	1.1
137.13249	1.7
139.11165	1.0
140.11768	0.6
141.22638	0.6
142.07794	1.3
145.10144	2.2
147.04303	0.7
147.08028	1.4
147.11710	5.6
149.09613	2.8
149.13260	2.1
153.12883	0.7
157.10107	6.7
163.11163	1.3
165.12741	1.2
175.11180	6.3
184.07335	22.9
185.13402	0.6
193.12239	19.1
205.12114	0.7
211.13309	1.4
219.21014	1.7
235.13483	1.2
237.22137	2.3
249.14977	1.7
267.15915	100.0
268.16174	1.9
309.16937	1.6
311.25797	84.4
312.26096	1.6
313.27298	2.0
314.27679	0.7
345.99545	0.7
429.33524	3.0
503.37320	72.7
504.37537	2.5
521.38397	13.8
539.38904	0.7
545.38354	2.3
553.40759	0.9
599.39648	0.8
611.39252	0.9
629.40314	0.8
647.40973	1.1
700.45416	0.7
750.48016	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	750.4989
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	4.1
55.01867	3.4
55.05510	14.1
57.03447	11.4
57.07077	36.2
59.04989	2.4
60.08154	4.0
61.02914	4.3
67.05178	2.0
67.05506	26.5
69.03387	1.7
69.07073	14.3
69.30259	10.0
71.01344	2.9
71.04984	4.6
71.08287	2.4
71.08635	26.1
72.08126	2.1
79.05494	22.9
79.59608	1.4
81.02940	1.7
81.03418	26.7
81.07054	28.4
83.01337	2.7
83.04977	10.9
83.08226	1.6
83.08626	16.1
85.02901	9.3
85.06522	4.0
85.09814	1.3
85.10194	15.2
86.09706	24.7
87.04443	6.5
89.05999	1.7
91.03960	2.8
91.05476	14.0
93.07049	26.5
95.04971	10.7
95.08612	26.4
96.31525	1.3
97.02907	10.9
97.06548	9.2
97.10187	8.0
98.98465	2.1
99.04450	1.7
99.08091	1.6
104.10724	1.8
105.07047	7.4
107.04962	15.9
107.08588	10.6
109.06499	6.0
109.10155	11.2
111.04444	26.1
111.08091	3.9
111.11741	2.3
117.07059	8.7
119.08585	10.6
121.06503	7.5
121.10162	10.0
123.08062	7.3
123.11689	3.9
124.99994	15.3
125.06017	7.7
125.09621	1.7
128.95558	1.6
129.07002	3.3
131.04886	1.8
131.08574	8.2
135.08052	3.7
135.11682	14.1
135.49187	1.6
137.09662	1.6
139.07535	2.0
145.06502	2.1
145.10135	18.4
147.08060	4.0
149.09644	2.7
153.12709	10.0
155.08534	3.0
160.11234	2.2
163.11176	28.7
173.09612	6.4
181.12236	5.7
184.02238	1.4
184.07349	73.4
185.07729	1.4
191.10728	10.9
193.12221	1.9
209.11700	9.9
223.13303	21.7
227.12752	7.7
239.23772	3.3
241.14355	34.4
249.10999	4.4
257.24802	1.9
258.08871	2.7
265.14322	14.7
265.16510	1.5
271.65298	1.4
283.15390	28.3
297.17075	1.8
313.27374	100.0
314.27753	3.5
315.18027	57.6
467.18585	3.4
468.19250	3.9
503.37350	11.0
521.38397	92.0
522.38373	4.0
523.32605	1.9
524.32819	1.8
539.39447	1.9
553.40997	65.8
554.41254	1.6
728.90277	1.6
750.44708	53.6
751.44812	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	750.4277
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.3
54.85213	0.6
55.01873	2.9
55.05513	15.7
57.03440	12.4
59.05000	4.4
59.24967	0.7
61.02929	3.3
65.03927	1.8
67.05505	90.5
69.03426	3.0
69.07067	5.7
71.01348	0.7
71.04997	3.9
73.02919	2.6
79.05489	9.8
81.03420	6.0
81.07055	19.2
83.01346	1.0
83.04961	3.5
83.08620	8.7
83.90970	0.7
85.02903	8.5
85.06561	2.5
87.04472	2.6
91.03960	1.1
91.05478	8.9
93.07045	7.4
95.04974	2.0
95.08611	9.7
97.02898	4.4
97.06514	2.0
97.10178	7.1
98.20715	1.2
99.08144	0.9
101.06037	0.7
103.03962	0.8
105.07019	2.1
107.04949	1.7
107.08611	7.2
109.06533	1.5
109.10157	87.6
110.10476	0.8
111.08106	3.5
113.05222	0.8
113.06084	0.8
115.03957	0.8
117.07027	1.8
119.08581	7.7
121.10153	2.7
123.08061	1.3
125.09627	9.0
129.05461	1.3
131.08572	1.6
133.10135	1.6
135.08072	0.7
135.11687	2.1
137.09607	3.4
143.10690	1.6
145.10139	2.6
147.08089	0.9
147.11690	1.0
153.12766	1.8
155.10670	8.3
157.08665	0.7
163.11125	4.6
173.11739	27.1
181.12257	1.1
184.07382	1.8
191.10664	2.6
193.12288	1.7
199.13252	3.4
209.11806	4.7
211.13406	0.7
227.12793	5.2
229.14355	100.0
230.14575	1.4
257.13858	2.0
267.15906	2.7
283.15399	3.4
301.16531	9.7
353.23093	1.4
371.24261	4.2
383.24277	24.9
399.23813	9.7
421.25861	1.3
437.25293	1.4
455.26370	6.8
456.18518	1.0
458.31204	0.8
473.27289	2.1
553.33752	23.4
599.15765	0.7
599.56635	0.7
732.39886	1.2
750.41022	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	750.2792
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.9
55.01870	3.1
57.03429	0.7
65.03938	2.6
67.05497	1.4
69.03416	1.8
69.07048	0.5
69.10551	0.5
70.06583	1.3
71.53129	0.8
72.08129	0.5
75.04447	0.9
75.62511	0.4
77.03931	0.5
79.05499	2.8
81.03420	1.0
81.07034	1.0
82.04189	0.5
85.02894	1.8
89.03903	0.6
89.06044	0.4
91.05475	4.5
93.03416	2.4
93.07026	1.5
95.04947	2.0
95.08600	0.8
97.02927	2.2
97.06515	1.5
97.97866	0.4
98.97567	1.3
103.05469	16.9
105.03385	0.8
105.07032	5.2
106.04183	3.9
107.04970	6.2
108.02088	0.4
109.06509	0.8
109.10165	2.6
110.03663	1.1
111.04450	1.0
115.05443	2.0
116.06235	0.5
116.98561	0.6
117.03336	0.5
117.07005	1.7
118.04176	4.0
119.04932	1.3
119.08559	1.5
120.05698	0.5
121.06506	4.7
121.49722	0.4
123.04430	1.8
123.08033	0.6
124.05161	0.5
125.05991	2.0
128.06230	0.8
128.98622	0.5
129.07066	1.0
130.04111	1.4
131.04935	18.3
131.08543	0.9
132.05763	0.8
133.02850	1.3
133.06497	4.7
133.10098	0.6
134.03688	0.7
135.04398	1.5
135.08038	1.5
135.11691	1.3
137.05966	1.0
138.03125	0.6
138.05486	0.9
139.03923	1.1
141.06934	0.5
142.02617	1.0
144.05702	1.7
145.02853	0.5
145.06502	2.4
146.03696	0.7
147.04404	1.2
148.05194	9.7
149.05980	8.6
151.03937	0.7
151.07578	0.5
153.05420	0.7
153.09105	2.0
155.07030	0.5
156.05643	0.9
157.06462	0.9
159.04445	0.9
159.08057	1.9
160.05185	0.6
161.05952	4.0
162.01291	1.1
162.06847	0.5
163.03912	4.5
163.07544	19.6
165.05495	0.5
167.07057	15.2
169.07698	0.9
171.06561	1.6
172.05202	0.5
173.05983	3.6
174.06833	1.3
174.67674	0.5
175.07616	0.7
175.14786	0.5
176.04724	2.9
177.05466	7.6
179.01625	0.6
179.06987	0.7
181.04964	32.0
181.08479	4.1
182.05345	0.5
187.07573	3.4
189.09131	1.8
190.00792	0.6
190.06270	1.4
191.07036	100.0
192.07581	1.5
193.08601	3.6
193.15923	1.5
195.06604	0.6
195.08295	0.4
201.09059	0.6
205.08638	3.4
207.06570	1.1
208.01833	0.8
209.08099	29.0
211.16949	1.9
213.05644	0.6
215.07042	1.1
216.07794	0.7
217.08603	5.5
218.07321	0.6
219.01784	0.8
219.08176	0.9
219.10191	1.8
220.08862	0.6
221.07988	0.7
223.04243	11.2
229.08636	0.9
231.08107	0.8
233.11676	0.7
235.07504	0.6
235.09683	1.1
237.02916	0.5
247.07469	1.1
247.09692	4.6
248.08223	1.0
249.11282	2.0
260.08344	0.5
261.09003	0.6
263.10809	0.5
264.07971	0.8
265.10904	2.4
267.06540	0.6
269.08005	0.6
271.09708	0.5
272.10916	0.7
274.54706	0.5
276.07840	0.8
277.08527	0.8
279.10245	1.5
291.10245	1.2
292.07132	0.6
293.08060	1.0
307.09625	1.9
309.10931	0.6
312.08932	1.8
315.08621	1.7
321.07849	0.8
323.12744	0.7
327.12177	1.0
330.10934	5.2
331.11795	0.6
337.11093	0.6
339.12250	2.4
341.13788	0.6
343.11816	0.8
351.12228	1.9
353.09818	0.5
355.11862	0.4
359.14914	5.2
368.12573	1.3
369.13397	3.3
371.14847	1.8
383.14890	17.7
387.14340	4.1
401.11124	0.9
401.15921	7.6
411.16824	0.5
412.16937	0.5
419.16971	12.8
427.17566	9.1
439.17163	0.7
458.21548	1.1
458.71854	0.9
479.22549	0.6
524.23712	2.8
524.73969	3.0
525.73834	0.5
543.21185	0.6
587.75818	0.5
763.21332	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	749.4443
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	0.7
55.01870	0.4
55.05516	1.1
57.03436	1.9
57.07075	0.7
59.04978	0.2
60.08167	0.3
60.11771	0.2
61.02927	5.3
63.18449	0.2
63.58088	0.2
65.03958	0.4
67.05505	5.9
69.03431	2.8
69.03777	0.3
69.07071	1.2
71.01359	0.3
71.04993	2.3
71.08635	0.5
73.02917	3.8
79.05494	2.9
81.03416	2.4
81.07059	4.3
83.04990	0.4
83.08627	0.7
85.02906	5.0
85.06509	0.2
86.09696	0.9
87.04466	0.7
89.06020	0.2
91.03961	3.0
91.05488	2.5
93.07049	3.7
95.04991	0.7
95.08603	3.0
97.02895	4.7
97.06532	0.3
97.10185	0.3
99.04449	1.0
101.02378	1.5
103.03953	0.4
105.07050	1.0
107.08607	1.7
109.02897	0.7
109.06531	0.3
109.10159	2.5
111.11658	0.3
115.03908	0.4
117.06996	0.3
119.08595	1.5
121.10137	1.8
123.11749	0.5
125.00044	0.6
127.03921	1.6
129.05479	0.4
131.08585	0.7
133.10124	0.7
135.11694	1.8
137.09627	0.8
145.04974	0.4
145.10147	0.9
147.11697	0.3
149.13336	0.3
159.11641	0.3
161.13135	0.2
163.11230	0.4
173.11855	0.3
173.13188	0.3
178.06999	0.2
184.07338	3.1
185.04257	0.6
193.12390	0.4
203.05281	0.5
243.08441	2.1
243.16100	0.3
249.14752	0.2
253.14073	1.4
259.07788	0.3
267.16052	0.7
280.49442	0.2
311.25674	0.2
313.27521	0.9
335.25775	0.5
363.83646	0.2
471.22040	3.6
505.39059	0.3
519.29279	7.0
520.29712	0.3
520.37286	0.3
587.39264	0.3
749.44446	100.0
750.44696	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	748.5205
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	1.7
55.05270	1.6
55.05513	18.2
57.03438	6.1
57.07078	8.3
57.37161	1.0
59.04992	2.3
59.84757	0.9
61.02922	3.3
65.03941	1.3
67.05506	77.0
69.03416	2.2
69.07072	27.3
70.60497	0.9
71.04996	18.3
71.07368	1.3
71.08627	3.8
79.05492	14.7
81.03410	2.9
81.07054	31.8
83.04979	3.0
83.08614	19.3
85.02905	2.7
85.06541	2.9
85.10157	3.2
86.09699	4.3
91.03996	1.3
91.05484	11.2
93.07042	20.5
95.04984	2.1
95.08607	30.9
96.04528	1.0
97.02908	2.0
97.06529	3.3
97.10174	12.8
98.21593	3.1
99.08095	2.0
105.07017	3.5
107.08595	8.9
109.06525	1.2
109.10158	67.5
111.08068	3.3
111.11716	4.2
117.07005	1.8
119.08596	9.2
121.06566	1.4
121.10141	8.7
123.11689	3.5
125.00007	1.7
125.09610	1.4
133.10072	1.0
135.11687	11.9
137.09599	8.1
143.93761	0.9
145.10100	3.1
149.13242	1.8
151.14828	1.6
155.10687	4.1
163.11208	3.2
163.14719	1.5
169.12206	1.6
173.11708	8.5
173.55627	1.0
181.12234	2.3
184.07329	12.1
211.13243	1.4
229.59988	1.5
243.15866	1.4
247.24078	1.9
252.44601	1.2
255.15897	3.7
256.16827	1.1
265.25220	2.2
287.18555	24.9
313.27332	1.9
339.28940	22.7
340.29459	1.1
475.37619	5.3
493.38879	100.0
494.39047	3.6
507.40454	3.2
519.40460	10.1
551.43097	96.2
552.43463	5.4
589.48065	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	748.2635
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	1.6
55.01875	2.2
56.60345	0.6
65.03939	4.2
67.05510	1.9
68.99751	0.5
69.03439	2.3
69.40084	3.9
70.06593	1.8
74.25503	0.6
75.04489	1.8
77.03922	1.3
78.04708	2.3
79.05505	4.8
81.03416	2.0
81.07062	1.2
82.00560	0.5
82.04185	1.2
83.04998	0.7
85.02914	5.6
89.03925	0.8
90.22308	0.5
91.05486	10.2
93.03416	9.1
93.07034	3.0
95.04956	4.6
95.08636	0.7
96.05727	0.6
97.02894	2.1
97.06527	2.7
98.20732	1.0
101.06065	0.6
102.04662	0.6
103.05470	21.1
104.06246	0.6
105.03403	1.7
105.04507	1.6
105.07043	7.4
106.04187	11.9
107.04971	10.1
108.02081	0.9
109.02876	0.9
109.06537	1.2
109.10201	0.7
110.03703	1.5
111.04433	0.9
115.05455	4.3
117.03355	1.1
117.07017	3.3
118.04175	6.1
119.04943	2.0
119.08579	1.5
121.06512	16.6
121.07384	0.8
122.03660	0.7
123.04432	4.1
123.08048	0.7
124.05229	1.6
125.05996	6.2
128.06218	0.9
129.06998	1.0
130.04140	1.8
131.04936	20.1
131.05858	0.7
131.08568	1.6
132.05682	2.5
133.02864	2.3
133.06508	10.4
134.03656	3.0
135.04428	2.2
135.08072	1.5
137.05983	5.3
138.09157	1.7
139.03940	1.0
139.07535	1.7
142.02614	1.8
143.04945	1.2
144.05701	2.3
145.02864	1.6
145.06499	5.1
147.04422	2.2
147.08008	2.6
148.05185	11.4
149.05995	26.0
150.06656	0.7
151.03981	2.7
151.04974	0.6
151.07559	2.4
152.04675	1.5
153.05461	4.4
153.09103	7.4
155.05977	0.8
155.07088	1.3
157.06514	1.9
159.04427	1.3
159.08067	1.6
160.05217	0.6
161.05997	9.8
162.01346	1.9
162.03146	0.5
163.03922	5.1
163.07547	23.6
165.05524	2.2
166.06258	1.1
166.08664	3.5
167.07051	62.2
168.07402	1.2
171.06567	1.3
173.06004	6.6
174.06718	0.8
175.03870	1.0
175.07513	3.1
176.04662	2.6
177.05486	19.6
177.08992	0.9
178.06194	0.7
179.07138	1.0
180.07813	0.8
181.04968	77.4
181.08539	15.9
183.06500	0.6
187.07539	2.9
189.05508	1.3
189.09180	1.5
190.00867	1.0
190.06276	0.7
191.07036	100.0
192.07675	1.9
193.04985	1.7
193.08636	3.8
195.06543	6.2
195.08316	0.6
195.08986	0.5
196.07173	0.6
201.05482	2.0
203.07045	3.3
205.08647	4.5
207.06453	3.0
207.08289	1.0
207.10216	2.3
208.01836	1.7
209.08098	97.0
210.08372	1.6
211.07697	0.8
213.05411	0.8
217.08580	2.5
218.07349	0.9
219.08180	1.2
219.10132	6.9
221.08073	1.9
223.04254	18.4
225.07524	1.8
229.08609	0.8
229.52887	0.5
231.06499	1.4
233.08105	6.4
235.07491	1.5
235.09644	5.8
237.08974	1.0
241.08485	0.9
245.08031	2.3
247.07562	0.9
251.09091	0.7
252.07826	0.7
253.08528	1.1
255.10179	0.7
263.09183	29.2
265.08472	0.8
267.06659	0.5
267.10208	3.6
269.11441	0.6
273.07675	0.6
279.06827	0.6
279.10117	1.0
281.07980	0.7
282.08871	0.8
289.10812	0.8
295.09686	1.3
297.11264	1.8
303.05020	1.0
307.09634	1.3
309.07593	0.6
312.09058	3.9
325.10751	3.7
327.12183	1.0
329.10043	0.7
329.13565	1.0
330.10107	1.5
331.11679	0.9
335.09000	0.8
337.10568	1.0
339.12167	1.9
345.13696	0.7
353.09982	1.6
355.11633	1.0
357.13266	7.9
359.14868	0.7
367.11743	2.2
369.13232	2.2
371.14832	1.9
381.13379	0.9
385.08020	0.9
385.12811	14.0
385.17612	0.9
387.14352	1.7
389.15576	0.8
399.14355	4.7
417.15445	20.5
577.20398	0.7
587.06842	0.6
609.22748	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	748.2634
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	2.7
55.01860	2.3
57.03423	0.6
57.94870	0.5
61.02921	0.6
63.54605	0.5
65.03943	4.4
66.04719	0.5
67.05502	2.2
69.03425	1.7
69.07082	0.6
70.06580	1.3
71.50797	0.5
71.52735	0.7
72.02866	0.5
73.74940	0.6
75.04469	2.0
77.03922	1.0
78.04706	1.9
79.05493	5.2
81.03414	2.1
81.07047	0.6
82.04185	1.2
84.04456	0.7
85.02905	5.0
85.06555	0.6
86.09653	0.5
89.03929	0.8
89.06006	0.7
91.05480	8.6
92.12667	0.5
93.03397	8.5
93.07032	3.4
95.04951	4.4
95.08599	0.9
97.02878	1.7
97.06537	3.5
103.04802	1.1
103.05469	18.0
105.03381	1.3
105.04528	0.9
105.07025	7.1
106.04177	13.6
107.04958	9.8
107.89769	0.6
109.02843	0.8
109.06486	2.0
110.03637	2.0
111.04419	1.2
112.03973	0.9
115.05453	4.6
117.03366	1.1
117.07040	4.2
118.04151	5.3
119.04944	3.4
119.08559	1.0
120.08128	0.6
121.06507	16.2
122.03655	0.6
123.04421	5.5
124.05206	1.9
125.05994	8.2
129.06985	1.3
130.04117	1.4
130.22729	0.5
131.04935	20.0
131.08548	1.5
132.05681	1.7
133.02829	1.3
133.06503	7.7
134.03607	3.3
134.08809	0.5
135.04391	2.1
135.08051	1.5
136.05107	0.6
137.02354	0.7
137.05972	4.5
138.03117	1.1
139.03888	1.4
139.07549	1.3
140.46584	0.5
141.06923	0.9
142.02592	2.1
143.04944	0.7
143.05992	0.6
144.05699	1.5
145.02821	2.0
145.06487	5.4
146.03581	1.1
147.04402	2.4
147.08018	2.1
148.05197	9.9
149.05981	26.5
151.03893	3.8
151.07550	2.9
152.04651	1.5
153.05461	4.4
153.09082	7.4
155.05992	1.0
157.06532	1.4
159.04428	1.1
159.08038	2.1
160.05180	1.5
161.05971	8.5
162.01305	1.9
162.06657	0.6
163.03925	5.6
163.05170	0.9
163.07547	20.9
165.05470	2.2
166.06294	1.0
166.08681	0.9
167.07040	55.0
168.05792	0.6
171.04451	0.6
171.06532	2.0
172.05150	0.6
173.05980	5.8
174.06741	0.8
175.03896	1.2
175.07512	3.8
176.04735	2.7
177.05461	19.5
177.09091	0.9
178.06221	0.8
179.01563	1.0
179.07059	1.4
181.04956	69.8
181.08528	15.4
187.07483	3.2
189.05457	0.8
190.00923	0.8
190.06195	1.0
191.07025	87.8
192.07658	2.2
193.04955	1.0
193.07146	0.6
193.08566	3.5
195.06531	4.0
195.08018	0.8
201.05458	2.0
202.06195	0.9
203.06970	3.2
205.06909	0.8
205.08556	3.4
207.06488	2.7
207.08170	1.2
207.10265	1.4
208.01913	1.7
209.08087	100.0
210.08485	1.7
213.05637	0.7
217.08562	1.8
219.08128	1.2
219.10147	5.7
220.07196	1.0
221.07959	1.2
223.04253	15.7
225.07494	1.6
229.08659	0.8
231.06525	1.2
233.06024	0.9
233.08078	5.4
234.06560	0.7
235.07489	1.5
235.09641	5.5
236.08244	0.6
237.09093	1.2
241.08527	0.9
245.08032	2.2
251.06921	0.7
252.07729	1.0
253.19112	0.7
257.08069	0.6
259.09747	0.6
261.11188	0.9
263.09155	25.5
265.08615	0.8
267.10086	3.5
269.08154	0.6
279.10199	0.7
280.07321	0.7
281.07770	0.6
289.05243	0.7
293.07892	0.7
295.09473	1.0
297.10989	1.0
307.09656	1.5
311.12604	0.6
312.09061	2.9
324.09634	0.7
325.10757	3.4
330.09979	0.8
331.11697	1.1
337.10617	1.0
339.12186	1.2
353.10120	0.8
355.11795	1.2
357.13284	6.6
367.11694	1.8
369.13138	1.3
371.14944	0.7
381.13187	0.8
385.12766	11.9
387.14243	1.9
389.15927	0.8
399.14407	3.4
417.15430	20.1
585.28772	0.6
609.23303	1.2
739.85028	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	747.3771
Annotation	Pandicine
Peak:m/z	Relative Intensity
53.03946	0.7
55.01869	0.4
55.05511	1.1
55.78896	0.3
56.96574	0.3
57.03443	1.7
57.33770	0.4
59.05008	0.7
61.02925	3.9
67.05499	2.6
69.03435	2.6
69.07062	1.7
69.32206	1.5
69.32628	1.2
71.04988	1.5
71.05332	0.3
73.02919	3.4
79.05504	3.1
81.03422	5.2
81.07056	2.9
83.08624	1.1
85.02898	4.7
87.04489	0.6
91.03958	2.3
91.05479	3.5
93.07037	2.7
95.04980	1.8
95.08610	1.4
97.02895	4.7
97.06557	1.1
99.04464	0.9
101.02390	1.6
103.03974	0.6
103.21265	0.4
105.07039	2.5
107.04967	0.5
107.08635	1.4
109.02908	1.3
109.06537	0.6
109.10198	0.5
111.08069	0.7
115.03891	0.4
119.08587	2.2
121.06558	0.5
121.10151	2.8
123.04436	0.7
127.03947	2.3
128.52281	0.3
129.07013	1.1
131.08594	1.9
133.10130	1.5
139.11211	0.7
141.51942	0.3
145.04991	0.5
145.10141	0.5
147.11719	1.2
149.09576	2.2
157.10121	1.9
161.09598	0.3
163.03925	0.4
175.11241	1.4
185.04274	0.6
193.12296	2.6
203.05286	0.5
217.36632	0.4
225.14929	0.9
233.11548	0.5
243.08441	2.2
251.12619	0.5
253.14215	0.3
267.16013	1.5
269.13721	1.1
283.15198	4.5
301.09793	0.4
339.17828	1.2
443.18866	7.3
469.20502	4.5
487.21506	8.7
501.23102	15.0
541.29767	0.5
585.32318	0.4
657.30835	1.3
703.35504	2.7
729.36530	2.4
747.37744	100.0
748.38300	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	746.5047
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	2.0
55.05514	10.6
57.03442	7.3
57.07077	32.4
57.45707	1.1
59.05003	1.1
60.08149	1.2
60.89420	1.1
61.02928	1.2
67.05186	1.7
67.05508	21.3
67.36263	1.1
69.07063	10.4
69.16132	10.7
71.04992	2.9
71.08637	20.0
77.43809	1.1
79.05498	18.2
81.03414	1.8
81.07059	22.8
83.04967	3.2
83.08231	1.3
83.08628	15.2
85.09732	1.3
85.10191	14.1
86.09691	4.7
89.06001	3.7
91.05478	6.9
93.07049	30.0
95.04964	5.3
95.08607	44.3
97.02898	3.3
97.06520	3.4
97.10162	6.7
98.20721	2.7
99.04442	3.6
105.07021	4.4
107.04991	7.4
107.08598	23.6
109.06508	2.3
109.10146	11.1
111.11747	1.8
117.06995	5.8
119.08591	8.5
121.06497	4.4
121.10154	11.9
123.11674	3.1
124.99973	5.2
125.05980	3.6
133.10136	2.6
135.08046	1.9
135.11703	43.0
139.07574	1.4
145.10126	29.5
158.81038	1.2
163.11186	62.6
173.09587	1.1
181.12224	10.4
184.07346	18.9
185.07710	1.4
209.11639	1.5
227.12793	66.6
283.15417	100.0
284.15701	1.7
285.27866	2.3
341.30521	98.3
342.30713	2.1
352.44196	1.4
549.41510	97.3
550.41681	2.4
728.54767	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	745.4133
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	0.7
55.01868	0.5
55.05513	1.4
57.03437	1.5
57.31165	0.3
61.02934	3.6
67.05510	4.4
69.03441	2.2
69.07079	1.1
71.01347	0.3
71.04984	0.6
73.02920	3.4
77.69481	0.3
79.05502	3.6
81.03423	1.3
81.07058	4.3
83.05006	0.5
83.08624	1.1
83.58705	0.3
85.02908	3.8
86.09699	0.5
91.03960	2.8
91.05486	1.6
93.07053	4.3
95.04981	0.5
95.08617	4.4
97.02904	3.9
97.06539	0.5
99.04475	0.8
99.45087	0.3
101.02386	1.3
105.07052	1.3
107.04996	0.7
107.08585	2.5
109.02908	0.6
109.10152	1.5
115.03948	0.4
117.07046	1.0
119.08628	1.5
121.06514	0.4
121.10137	1.6
123.11765	0.4
127.03933	1.0
131.08592	0.8
133.10159	0.9
135.11707	3.9
145.10146	1.9
147.11726	0.5
163.11188	3.8
173.13438	0.4
181.12340	0.5
184.07376	1.2
185.04272	0.9
214.01370	0.3
219.09998	0.8
219.48048	0.3
227.12804	3.0
243.08435	3.2
249.10988	8.7
305.13565	2.2
335.25824	0.6
467.18878	11.6
519.29254	5.5
519.36957	0.4
583.36499	0.4
656.44171	0.4
745.41333	100.0
746.41534	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	745.4133
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	0.7
55.01857	0.4
55.05508	1.1
57.03441	1.4
60.08131	0.2
61.02648	0.4
61.02932	4.6
67.05509	4.6
69.03432	3.1
69.07070	1.2
70.21794	0.2
71.01340	0.3
71.05007	0.7
73.02917	3.6
79.05488	3.5
81.03407	1.4
81.07059	4.9
83.05005	0.5
83.08628	0.8
85.02912	4.8
86.09725	0.6
91.03956	3.2
91.05495	2.1
93.07043	4.0
95.04966	0.6
95.08616	4.0
97.02895	4.6
99.04472	0.8
101.02399	1.4
103.03924	0.3
105.07043	1.4
107.08578	2.3
107.22060	0.2
109.02902	0.8
109.10151	1.5
110.39960	0.2
115.03913	0.4
117.07018	0.8
119.08589	1.1
121.10172	1.9
123.11703	0.3
124.99963	0.4
127.03913	1.3
131.08580	0.6
133.10147	0.9
135.11693	2.3
145.04926	0.3
145.10146	1.2
147.11726	0.4
149.13316	0.5
159.11699	0.4
161.13199	0.3
163.11177	2.0
173.13272	0.3
181.12172	0.3
182.87866	0.3
184.07350	2.8
185.04283	0.6
203.05275	0.4
219.09889	0.2
222.60103	0.3
227.12820	1.2
229.25073	0.3
229.27139	0.3
243.08405	1.8
249.10983	11.4
305.13690	1.2
335.25818	0.5
367.07565	0.2
393.52438	0.3
467.18961	5.4
467.25293	0.4
519.29333	7.5
583.36353	0.4
745.41309	100.0
746.41644	5.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	745.3627
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	1.1
55.05511	1.2
57.03438	2.0
59.04991	0.8
61.02930	4.3
61.03231	0.6
64.10136	0.4
66.38860	0.4
67.05512	5.0
69.03441	2.3
69.07063	1.4
69.88525	0.8
69.88922	1.3
71.04991	1.7
73.02923	2.7
79.05486	2.4
81.03410	4.4
81.07046	3.0
83.05009	0.6
83.08624	1.7
85.02911	6.1
87.04449	0.9
91.03965	2.8
91.05482	2.7
93.07056	1.8
95.04976	1.1
95.08617	1.3
97.02889	4.0
97.10150	0.5
99.04520	1.1
101.02390	1.3
103.03970	0.9
105.07037	1.5
107.04980	0.8
107.08614	1.8
109.02862	1.4
109.10158	2.4
111.04453	0.5
119.08598	1.9
121.10181	1.6
123.04392	0.6
123.08085	0.5
123.11683	0.8
126.62284	0.5
127.03925	1.2
129.05511	0.7
129.06990	0.6
131.08577	1.1
133.10130	1.3
135.11729	0.5
141.82848	0.4
145.10181	0.6
147.11699	1.0
149.09653	1.5
153.48402	0.4
157.10170	0.9
163.03873	0.6
163.11160	0.9
173.11754	0.6
175.11108	0.8
181.04706	0.7
185.04247	2.2
193.12323	1.6
195.09972	0.8
199.05765	0.5
201.03769	1.0
201.07542	0.5
203.05377	0.5
207.13731	0.6
229.14389	0.5
241.06787	0.6
243.08406	3.4
267.16089	0.9
283.15170	6.0
301.08936	7.3
309.16830	1.5
315.10544	1.3
317.08688	0.6
323.18384	1.6
329.12152	0.6
339.17761	0.7
341.12186	0.6
373.11230	3.0
381.18900	3.6
383.16959	1.3
385.18347	4.3
395.20749	0.8
399.19815	1.2
413.17960	3.6
415.15378	0.5
427.19321	4.8
429.17432	1.0
439.19730	1.1
441.21225	1.0
443.19183	0.5
448.28055	0.5
451.19354	0.5
457.20367	0.5
458.93997	0.4
465.28500	1.9
467.19308	0.8
469.20502	3.5
483.22672	1.0
485.19989	3.4
499.21387	2.2
501.23236	13.7
511.28897	0.6
517.22614	0.7
529.22552	7.8
545.22174	0.9
573.25043	6.0
583.30981	1.1
587.26868	1.3
601.27899	2.2
613.32147	1.2
615.30060	0.9
629.31476	0.9
641.31445	23.1
642.32117	1.0
643.32782	2.7
645.33728	0.6
657.34259	0.5
673.34424	2.1
685.34808	0.5
687.35358	2.7
695.32458	1.4
699.35767	1.5
701.37335	0.6
727.35242	4.4
745.36017	100.0
746.36359	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	745.3621
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03999	1.0
55.01902	0.7
55.05561	1.4
56.96612	0.8
57.03493	1.7
59.05029	0.7
61.02990	5.5
67.05574	8.1
68.05894	0.8
69.03438	3.3
69.07127	1.5
69.64088	3.1
71.05064	1.6
73.02926	3.0
79.05581	3.0
81.03423	5.2
81.07141	3.6
83.05035	1.3
83.08710	1.6
85.02996	5.2
85.06577	0.7
87.04562	0.6
91.03954	3.2
91.05579	2.9
93.07150	2.3
95.04980	2.3
95.08704	1.7
95.55935	0.5
97.02895	4.8
97.06580	0.6
97.10244	0.7
98.21449	0.9
101.02379	2.4
105.06496	0.6
105.07130	2.3
107.05073	1.0
107.08698	2.0
109.02975	0.8
109.10168	7.8
111.04541	0.9
111.08163	1.1
117.07092	0.5
119.08577	2.7
121.10242	1.7
123.04514	1.2
125.09766	0.8
127.04034	2.0
129.07088	0.8
131.08656	1.2
133.10161	0.9
135.04504	0.6
135.11813	1.4
138.11031	0.5
139.03979	0.6
147.11852	0.7
149.09705	0.9
157.10269	0.9
163.04073	1.7
165.12950	0.7
173.11815	2.3
175.11398	1.4
185.04295	0.7
191.03583	0.9
193.12296	2.7
195.10051	0.7
211.13310	2.3
213.52435	0.5
216.25443	0.5
227.13181	0.7
229.14575	1.8
243.08516	2.9
249.11157	0.7
251.12686	4.1
267.09152	0.5
283.15390	0.5
285.10376	0.7
307.05380	0.6
307.15192	0.6
355.15741	0.6
413.17844	14.0
413.23056	0.8
414.18311	1.1
415.18256	1.3
439.19730	0.8
469.20459	14.1
474.16153	0.5
479.26041	0.9
485.23599	0.7
501.23065	2.5
624.22900	0.6
639.29565	1.5
640.30273	1.9
641.31323	100.0
642.31305	3.3
673.33588	1.4
699.35706	7.6
713.31134	0.7
727.33539	1.5
745.36188	25.5
746.36145	0.8
756.53461	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	744.489
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.8
55.01873	1.3
55.05514	12.9
55.32876	0.5
56.40168	0.4
57.03440	7.4
57.07073	2.7
59.05010	2.8
61.02934	4.1
65.03948	3.0
67.05505	96.6
68.05828	0.7
69.03431	2.2
69.07072	12.0
71.04997	21.1
71.08630	0.7
73.02904	0.9
77.03918	0.8
77.99235	0.5
79.05495	33.0
81.03415	3.2
81.07059	38.7
82.07401	0.7
83.04979	4.1
83.08624	8.8
85.02907	3.7
85.06554	3.6
86.09695	1.8
87.04460	0.6
91.03965	1.1
91.05484	23.2
93.07045	42.6
94.07378	0.7
95.04977	4.0
95.08610	29.2
97.02895	2.3
97.06527	3.5
97.10163	2.4
99.08109	1.9
105.04520	1.1
105.07031	10.3
107.05010	0.5
107.08598	20.6
109.06530	1.8
109.10159	67.9
111.08083	3.6
112.11315	0.4
115.05447	0.6
117.07023	3.7
119.08582	17.6
121.06533	0.7
121.10147	18.2
123.08047	1.3
123.11739	2.3
125.00033	0.8
125.09628	0.7
129.07022	0.9
131.08580	7.6
133.10136	7.2
135.08159	0.7
135.11694	17.6
137.09627	8.7
137.13205	0.8
139.11186	0.6
143.08513	0.9
145.10130	7.1
147.11678	5.7
149.09636	0.6
149.13300	3.9
151.11195	0.8
155.10664	3.0
156.33745	0.5
156.64561	0.5
157.10123	0.9
159.11679	3.6
161.13277	2.9
163.11143	3.0
163.14836	1.2
169.12215	1.1
173.11760	7.0
173.13274	2.9
175.11221	0.9
175.14867	0.8
179.14378	0.7
181.12260	1.6
183.11710	0.6
184.07343	3.8
187.13286	1.0
187.14851	1.4
192.76311	0.5
193.12199	0.9
199.14830	0.5
211.13257	0.8
213.14760	0.8
227.12721	0.6
229.14388	0.9
243.15967	2.2
255.15962	5.1
261.22131	2.5
267.15933	0.5
283.15527	0.7
287.18521	17.7
317.24774	1.3
333.24118	0.9
335.25809	30.4
336.26190	1.2
337.27377	0.9
379.30127	0.9
397.30954	0.7
407.28101	0.5
431.22638	0.8
441.33160	0.5
465.35675	0.9
471.34564	3.0
489.35754	100.0
490.36047	3.2
497.36893	0.9
498.30649	0.6
503.37207	3.2
511.20114	0.6
515.37341	14.9
533.38483	1.1
547.39960	83.7
548.40155	4.1
646.68317	0.6
726.44507	0.7
744.45825	12.4
745.46063	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	744.4892
Annotation	Unknow
Peak:m/z	Relative Intensity
52.09360	0.7
53.03925	1.6
54.54187	0.7
55.01868	3.3
55.05511	18.8
57.03440	7.8
57.07074	7.2
59.04974	0.8
60.93396	0.7
61.02895	0.9
65.03927	1.0
67.05505	21.4
69.03408	1.5
69.07069	26.5
69.31675	6.0
71.04960	2.0
71.08636	4.3
73.02897	0.9
79.05496	20.7
81.03383	2.5
81.07056	27.2
83.04973	3.5
83.08619	20.8
85.02879	1.1
85.06519	2.0
85.10141	2.4
91.05478	6.1
93.07047	32.3
95.04964	5.0
95.08608	45.6
97.02860	3.1
97.06526	3.7
97.10178	8.9
98.21542	1.6
99.04425	2.6
105.07043	5.4
107.04951	6.1
107.07903	1.4
107.08598	25.4
109.06467	1.5
109.10164	8.5
111.04412	1.0
111.08047	2.0
111.11681	2.1
113.05983	1.1
113.09661	0.8
117.06368	0.6
117.07022	6.2
119.08575	9.1
121.06511	5.6
121.10146	15.8
123.11701	2.2
125.05947	2.6
125.09619	1.1
130.07793	1.0
133.10100	1.8
135.08025	2.5
135.11691	46.7
136.12018	0.7
137.13278	0.9
139.07477	1.9
143.08603	1.1
145.10120	23.2
149.13257	2.1
153.12617	1.0
163.11182	56.7
173.09534	0.8
181.12244	9.4
184.07233	2.1
209.11647	1.3
227.12782	59.5
247.24207	1.0
265.25311	1.0
283.15399	94.1
284.15762	1.7
291.19733	1.0
339.28949	89.8
340.29324	2.3
369.64929	0.7
547.39954	100.0
548.40424	4.4
603.46234	1.3
639.20721	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	743.4336
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	1.1
55.01871	1.0
55.05515	1.3
57.03433	1.8
57.07072	0.4
57.46137	0.4
61.02920	3.8
67.05504	5.3
68.16609	0.4
69.03430	2.8
69.07077	1.3
70.63732	1.5
71.04998	0.6
73.02917	3.4
79.05499	4.7
81.03423	1.5
81.07049	3.7
83.04966	0.5
83.08626	1.0
85.02908	4.4
85.10207	0.5
87.04462	0.4
89.36073	0.4
91.03962	2.5
91.05479	3.1
93.07038	3.4
95.04939	0.5
95.08625	3.3
97.02901	4.3
99.04464	0.5
101.02400	1.7
105.07066	1.6
105.14976	0.5
107.08595	2.0
109.02899	0.8
109.10169	1.3
116.59121	0.6
117.07043	1.1
119.08593	1.3
121.10187	1.6
127.03893	1.0
133.10176	0.6
135.11705	0.9
145.10147	0.9
147.04439	1.7
147.11713	1.6
155.84164	0.5
161.13313	0.6
171.11763	0.8
203.05305	0.8
212.42790	0.4
243.08498	2.0
247.13127	1.6
304.24445	0.5
465.20911	4.0
519.29285	4.8
560.78931	0.5
646.25513	0.7
743.43433	100.0
744.43604	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	744.4528
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	7.2
55.01871	8.5
55.05266	2.4
55.05510	32.4
56.96544	3.2
57.03441	23.5
57.07051	1.9
59.04995	1.6
59.52477	1.5
60.08149	4.8
61.02907	6.5
65.03928	4.5
66.07172	1.4
66.41691	1.7
67.05505	84.4
69.03427	8.4
69.07069	42.9
69.38609	13.1
71.01340	6.5
71.04986	8.9
71.07360	3.7
73.02906	3.8
77.50613	1.5
79.05494	78.9
81.03417	15.8
81.07056	69.8
83.04981	18.4
83.08630	16.8
85.02908	10.4
85.06532	6.6
86.09229	1.9
86.09708	27.5
91.03955	2.2
91.04906	2.5
91.05480	51.9
93.07042	93.2
95.04961	13.1
95.08060	2.4
95.08603	32.4
96.49301	1.6
97.02876	5.6
97.06527	29.6
97.10163	22.9
98.20759	3.0
98.97582	1.9
98.98511	2.4
99.04480	1.8
99.08054	2.4
101.02376	2.1
103.05451	2.8
104.10765	1.8
105.04507	1.4
105.07032	33.4
106.99358	1.4
107.04963	10.2
107.08591	65.0
108.46841	1.5
109.02900	2.2
109.06525	8.2
109.10154	17.1
111.08078	7.0
113.09625	1.9
115.05422	3.2
116.98574	1.9
117.07016	17.8
119.04927	1.5
119.08578	26.6
121.06512	4.9
121.10152	18.2
123.08065	3.7
123.11692	2.4
125.00015	14.9
125.09611	11.7
127.03889	4.5
128.06152	2.5
129.05423	1.9
129.06982	6.3
130.07742	2.5
131.08560	17.0
133.10130	23.2
134.10393	2.1
135.08035	5.9
135.11690	65.4
135.12726	3.5
137.09608	4.7
139.11145	2.0
141.06993	2.5
143.08549	5.1
145.04970	1.9
145.10117	26.7
147.04329	2.3
147.11722	9.5
149.09619	13.8
149.13229	6.9
151.11195	2.5
153.09157	2.0
153.12668	4.0
155.08572	2.9
157.10114	6.1
159.11679	15.1
161.09610	2.0
161.13239	5.6
163.11200	17.7
165.75722	1.5
169.10217	2.3
173.04451	1.8
173.11807	2.4
173.13248	6.0
177.12717	3.4
179.14273	2.9
181.12247	14.2
183.11699	2.0
184.07336	85.2
185.13136	1.9
187.14745	2.1
189.11205	4.6
193.12271	1.8
195.13800	2.7
199.13205	3.8
205.35187	1.7
227.12807	20.1
229.14267	2.3
229.19460	3.0
239.17891	3.6
247.20578	1.9
253.14267	2.3
255.15912	100.0
257.19000	14.2
267.08990	4.8
267.15768	2.4
269.17487	10.2
275.20047	37.7
285.10068	2.8
331.22571	2.8
349.23703	30.2
351.21744	1.8
372.18628	2.0
397.20355	5.1
409.25833	4.2
413.21759	2.3
425.25266	9.8
433.29437	3.2
435.27411	23.9
449.28967	82.8
450.29160	3.0
489.32053	2.7
501.35788	2.3
511.34073	2.8
529.35272	69.5
530.35022	2.8
547.36456	10.6
593.32996	2.1
726.43365	6.4
744.43335	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	743.3459
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	0.7
54.48637	0.3
54.79546	0.3
55.01868	1.0
55.05506	2.3
55.62284	0.4
56.96570	0.6
57.03441	2.6
59.05003	0.9
61.02926	6.6
65.03939	0.5
66.11452	0.3
67.05510	5.3
68.05836	0.7
69.03428	4.0
69.07069	1.7
70.06606	0.8
71.01361	0.4
71.04993	1.6
71.07384	0.3
71.52927	0.4
72.08158	1.0
73.02920	4.0
79.04449	0.3
79.05496	4.7
80.05816	0.4
81.03419	7.5
81.07057	4.9
83.04985	1.7
83.08611	2.7
85.02912	6.9
85.06544	1.1
86.09712	1.6
87.04455	0.6
91.03954	3.3
91.05486	5.3
91.69716	0.3
92.05862	0.5
93.07053	4.6
95.04973	3.5
95.08614	2.5
96.04522	0.5
97.02898	5.6
97.06552	1.3
97.10191	0.8
98.20917	0.4
99.00821	0.8
99.04459	1.1
101.02389	2.8
103.03935	0.4
105.07024	3.8
107.04923	1.7
107.08582	1.9
109.02879	1.6
109.06537	0.6
109.10178	2.8
110.10511	0.5
111.04446	0.9
111.08095	1.3
113.05988	0.5
115.03907	0.5
117.07070	0.7
119.04921	0.4
119.08595	3.3
121.06517	1.2
121.10176	2.2
123.04440	0.7
123.08085	0.6
124.99988	1.0
125.09673	0.6
127.03916	2.4
129.07024	1.4
131.08603	2.0
133.10133	4.7
134.10518	0.4
135.04413	0.5
135.08032	0.5
135.11693	0.7
137.06042	0.5
139.03940	0.7
145.10153	1.8
147.04459	0.5
147.08052	0.4
147.11682	1.7
149.09651	1.7
151.11203	1.4
157.10178	2.0
159.11842	0.5
161.05966	0.4
161.09619	1.7
163.03961	1.1
163.11201	0.9
173.11853	0.7
175.11201	1.3
179.10716	0.8
184.07332	6.0
185.04341	1.1
185.07733	1.1
189.09184	1.3
193.12230	3.0
195.08760	0.8
197.11809	0.5
197.15428	0.6
203.05443	0.6
211.13368	0.8
221.08221	0.5
225.11287	1.1
225.14893	0.6
227.12782	0.6
229.14447	1.2
239.11353	0.6
243.08386	1.9
249.15128	0.5
251.11349	0.8
257.04538	0.5
265.10419	1.5
265.13791	0.4
267.09021	2.1
267.15836	3.0
268.16229	0.6
269.12405	1.5
283.10455	0.9
283.15079	2.8
285.10077	2.1
285.16885	0.6
286.10574	0.4
299.11899	0.5
299.15045	0.6
301.11398	0.8
303.05106	1.1
321.13116	0.7
339.17831	0.9
348.65274	0.4
364.66629	0.4
373.16873	0.7
410.66214	0.3
451.19244	2.2
459.27344	1.0
460.27817	1.8
469.20657	0.6
477.28467	1.2
478.28696	2.2
483.18143	11.0
501.23105	8.4
531.25208	1.0
639.31055	0.4
693.30682	14.0
711.30981	1.5
725.33301	2.6
743.34552	100.0
744.34857	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	743.3465
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	0.5
55.01888	0.4
55.05517	1.7
56.96589	0.4
57.03445	2.2
57.51821	0.4
59.05013	1.3
61.02929	4.1
64.95856	0.3
65.03941	0.6
67.05505	9.4
68.05851	0.4
69.03422	2.5
69.07080	1.5
69.27579	1.7
69.27990	1.1
70.06596	0.7
71.05002	1.3
72.08170	0.6
73.02913	2.4
79.05505	2.6
81.03413	2.5
81.07061	4.0
81.44122	0.4
83.04997	1.2
83.08622	1.7
85.02907	4.0
85.06554	0.6
86.09724	0.5
87.04489	0.5
91.03950	2.3
91.05479	2.4
93.07054	3.5
95.04972	0.8
95.08612	2.8
95.75150	0.4
97.02901	3.8
97.06528	0.8
97.10169	0.6
99.04471	1.5
99.08099	0.5
101.02399	0.9
105.07061	1.4
107.04988	0.9
107.08595	1.9
109.02906	0.5
109.06595	0.4
109.10160	8.6
110.10502	0.4
111.04498	0.7
115.03979	0.4
117.07052	0.9
119.08566	2.1
119.60456	0.3
121.06532	0.7
121.10175	1.5
122.20499	0.3
123.04482	0.6
123.08142	0.5
123.11718	0.6
125.09666	0.6
127.03943	1.3
128.75803	0.3
129.07057	0.4
133.10211	1.0
135.08136	0.4
135.11713	2.8
137.09651	0.7
138.06621	0.6
139.03964	0.7
145.10158	1.9
149.09607	0.3
155.10710	0.7
163.03960	1.0
163.11180	4.8
165.09126	0.4
173.09618	0.5
173.11780	2.4
181.12234	0.8
184.07530	0.4
185.04324	0.6
191.03400	0.4
195.08800	1.1
195.10263	0.5
219.10048	0.4
227.12784	4.2
229.14395	1.8
243.08391	2.6
249.10980	9.1
249.13356	0.7
251.12544	0.6
267.09045	0.8
301.09177	0.7
305.13531	1.7
397.26279	0.4
400.79834	0.4
413.17828	15.9
442.28259	0.5
467.18900	13.0
468.19009	0.5
477.24612	1.1
499.21811	0.5
639.29852	100.0
640.30432	2.5
697.33923	0.8
725.32605	1.1
743.33881	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	743.3463
Annotation	Unknow
Peak:m/z	Relative Intensity
52.05782	0.2
53.04011	0.3
55.01704	0.3
55.01930	0.5
55.05584	0.9
56.96636	0.3
57.03517	1.5
58.52208	0.2
59.04805	0.2
59.05072	0.8
61.02674	0.3
61.03012	2.7
67.05197	0.9
67.05596	8.1
67.77842	0.2
69.03118	0.4
69.03522	2.4
69.06837	0.2
69.07167	0.8
70.06350	0.2
70.06699	0.7
71.22301	0.4
73.03016	2.1
79.05602	1.8
81.03039	0.6
81.03532	1.8
81.07167	3.0
83.05084	0.8
83.08247	0.4
83.08733	1.2
84.41712	0.2
85.03024	3.8
85.06644	0.4
85.61375	0.2
87.04583	0.6
87.64847	0.2
89.04039	0.3
91.04077	2.3
91.05606	1.8
91.29471	0.2
93.07168	2.6
95.04552	0.3
95.05087	1.0
95.08734	2.8
97.03023	3.5
97.06646	0.5
97.10291	0.3
98.98597	0.2
99.03971	0.4
99.04590	1.1
101.02513	1.3
103.04041	0.3
105.07153	0.8
105.76583	0.2
107.05080	0.6
107.08735	1.4
109.03002	0.7
109.06639	0.4
109.10304	7.6
110.10608	0.3
111.04551	0.6
111.08169	0.4
116.20812	0.2
117.07169	0.5
119.08736	1.5
121.06634	0.6
121.10300	1.0
123.04560	0.4
123.08195	0.4
125.00129	0.3
125.06170	0.3
127.03911	1.5
129.05658	0.3
129.07140	0.3
130.41644	0.2
131.08702	0.4
133.10229	0.4
135.08250	0.3
135.11699	3.1
136.08479	0.3
137.09761	0.3
139.04016	0.4
145.05049	0.3
145.10130	1.8
147.11841	0.5
155.10822	0.6
157.10208	0.4
163.11185	3.7
173.11748	2.5
181.12422	0.7
184.07430	0.4
185.04407	0.6
191.03680	0.3
193.05548	0.3
195.10173	0.9
199.13490	0.2
209.11786	0.3
219.10060	0.5
227.12804	3.8
229.14391	1.9
230.14851	0.3
240.78485	0.2
243.08455	2.7
249.10988	8.6
251.12819	0.4
285.10181	0.3
303.05118	0.3
305.13635	1.9
307.12115	0.3
383.24503	0.8
384.24960	0.5
413.17856	18.9
414.18494	0.5
442.29333	0.5
459.23383	0.4
467.18918	14.4
468.19513	0.3
477.24536	1.1
480.82657	0.3
517.22754	0.3
639.29865	100.0
640.30188	3.4
653.29401	0.5
668.77905	0.3
697.33832	0.6
725.33752	0.8
743.34436	17.8
744.34766	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	742.4732
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.8
55.01876	1.8
55.05263	1.1
55.05515	12.8
57.03439	9.8
57.07075	1.5
61.02914	2.2
65.03951	2.0
67.05507	33.5
69.03420	2.9
69.07075	9.9
70.97352	2.3
71.04990	3.1
79.05495	27.4
81.03419	33.6
81.07058	30.7
83.04987	9.9
83.08626	17.8
85.02909	12.9
85.06548	1.2
86.09727	1.8
91.05483	21.9
93.07045	24.5
95.04974	12.8
95.08607	23.1
96.08926	1.4
97.02896	3.1
97.06535	3.4
97.10170	3.4
105.07033	15.4
107.04979	2.5
107.08598	12.0
109.06508	2.7
109.10154	9.5
111.04462	1.8
111.08085	5.6
117.07015	2.3
119.08577	12.7
120.83475	0.7
121.06492	1.4
121.10142	12.1
123.08092	2.3
123.11686	3.3
125.00038	0.9
125.09685	0.8
129.07005	5.9
131.08582	8.5
133.06454	1.9
133.10146	8.1
135.11690	6.6
136.12019	0.8
137.09607	1.4
142.07800	1.3
143.69748	1.0
145.10118	2.8
147.04437	1.4
147.08072	1.6
147.11694	12.6
149.09622	4.6
149.13284	2.5
151.11221	1.0
154.16905	0.9
157.10146	7.6
159.11740	2.2
161.13257	2.1
163.11182	1.7
163.14789	0.9
165.12704	1.9
173.13255	1.9
175.11180	8.6
175.45285	0.9
184.07339	4.2
187.14795	0.9
193.12250	26.9
200.65935	0.8
211.13287	38.4
227.12865	2.1
229.89505	0.7
243.21004	1.9
261.22131	4.9
267.15881	8.6
283.15372	2.3
284.15790	2.3
285.16971	39.3
317.24765	1.3
335.25812	44.1
336.26077	3.4
337.26639	0.9
416.42029	0.9
435.32379	1.2
453.33493	1.2
471.34622	1.1
527.37372	9.2
544.37384	0.9
545.38361	100.0
546.38849	4.6
563.39331	1.2
683.78528	0.9
742.44830	7.1
743.45251	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	742.4731
Annotation	Unknow
Peak:m/z	Relative Intensity
52.30017	0.7
53.03947	2.5
55.01878	1.2
55.05261	1.2
55.05513	13.9
56.05828	0.9
56.93029	0.7
57.03442	12.0
57.07070	1.0
61.02911	2.6
65.03944	1.4
67.05508	34.5
69.03421	2.5
69.07071	9.9
69.31388	5.2
69.31803	1.9
71.04972	2.8
79.05494	27.6
81.02933	1.3
81.03419	34.7
81.07058	38.7
82.07406	1.6
83.04975	7.5
83.08617	13.9
85.02918	12.3
85.06551	1.4
86.09705	1.7
91.03981	0.8
91.05485	21.3
93.07050	28.8
94.07406	1.1
95.04967	15.0
95.08611	26.4
96.08948	1.3
97.02898	2.6
97.06538	3.4
97.10160	3.7
99.08102	1.4
103.42684	0.9
105.07037	17.2
107.04945	2.6
107.08601	14.5
108.08884	1.1
109.06505	2.7
109.10151	10.0
111.04523	0.9
111.08076	5.3
113.05949	1.2
115.05416	1.0
117.07018	3.2
119.08582	13.7
121.06490	1.1
121.10136	11.5
123.08053	1.7
123.11690	3.0
125.00009	1.4
125.09624	1.5
129.07008	4.4
131.08583	8.7
133.06445	1.0
133.10120	7.4
135.11685	8.5
136.12012	1.8
137.09618	1.0
137.13307	1.0
143.08568	1.0
145.10123	4.3
147.08060	1.9
147.11705	9.5
149.09639	3.3
149.13264	2.4
157.10141	7.2
159.11691	2.7
161.13199	1.4
161.79514	0.8
163.11227	3.8
163.14807	1.5
164.11601	1.0
165.12866	1.0
173.13339	1.8
175.11217	7.5
181.85861	0.8
182.12468	0.8
184.07349	6.6
187.14896	1.0
193.12260	19.8
211.13300	28.8
216.33174	0.8
227.12813	4.7
228.13138	2.7
243.21124	1.2
253.22333	0.8
261.22192	5.0
267.15872	7.6
283.15469	3.3
284.15695	2.5
285.16977	31.4
286.17386	0.9
317.24649	1.4
335.25806	56.9
336.26102	5.5
337.26492	3.4
471.34412	0.9
527.37274	7.8
543.36414	0.8
544.36914	2.3
545.38348	100.0
546.38599	3.5
742.44495	3.8
743.43842	1.1
753.83240	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	742.4218
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	3.2
55.01873	6.0
55.05509	15.3
57.03191	0.9
57.03439	9.3
61.02916	0.9
65.03942	1.1
65.49146	0.8
67.05509	20.6
69.03423	3.6
69.07067	6.0
69.43496	1.4
69.43900	4.1
71.04992	4.1
73.02932	1.0
79.05495	22.2
81.03419	48.9
81.07050	18.7
83.04993	5.3
83.08625	13.6
83.44954	0.8
85.02902	1.8
85.06559	1.8
91.05477	16.2
93.06483	1.6
93.07042	20.1
95.04971	22.7
95.08605	8.5
96.93617	0.9
97.02888	2.6
97.06519	3.5
97.10167	14.4
98.21570	1.7
99.04471	1.1
105.06384	1.4
105.07025	13.7
107.04296	1.4
107.04953	14.7
107.08594	13.1
109.02895	1.3
109.06518	17.0
109.10171	7.7
111.04421	1.9
111.08073	5.0
113.05967	0.9
115.05455	1.4
117.07030	5.9
119.04953	1.1
119.08578	11.6
121.06509	12.7
121.07371	1.2
121.10135	12.0
123.04399	1.6
123.08076	5.5
123.11707	1.3
125.05982	1.4
125.09628	14.4
129.06976	9.2
131.04929	1.7
131.08566	11.3
133.06499	4.1
133.10126	5.7
135.04524	1.1
135.08072	8.0
135.11671	3.0
136.21407	0.7
137.05945	0.9
137.09601	1.8
139.07475	0.9
139.11168	2.7
141.07014	1.5
142.07758	1.7
143.08569	2.7
145.06479	6.1
145.10127	5.9
145.97285	0.8
147.04445	1.4
147.08037	5.0
147.11688	6.6
149.05939	1.0
149.09628	6.0
151.07559	1.0
153.09152	2.8
153.12732	1.5
155.08546	1.9
157.06474	1.0
157.10124	8.6
159.08061	2.0
159.11745	1.2
161.05916	1.9
161.09607	1.9
163.11185	3.8
165.12752	1.7
167.10699	1.9
169.10059	1.1
171.10243	1.3
171.11687	1.8
173.09596	2.2
173.13240	2.0
175.07518	1.2
175.11194	6.5
177.12744	0.8
183.11720	1.0
184.07378	3.6
185.09702	1.0
185.11758	1.4
185.13248	0.8
187.11232	1.6
187.14746	1.3
189.11215	7.6
189.12794	1.9
191.14307	4.7
193.10452	1.0
193.12231	16.1
193.71031	0.9
195.11627	1.3
197.09654	0.8
197.13283	1.0
199.11211	1.1
199.13255	1.1
201.12772	1.3
205.12209	1.9
209.11617	1.3
211.11214	0.9
211.13258	1.6
213.12776	1.7
215.14317	1.9
217.12122	1.6
219.06300	1.0
219.13812	10.0
225.12840	1.0
227.12523	1.4
229.14304	1.1
231.13933	1.8
233.15373	4.2
235.13333	1.2
237.12712	1.7
237.14832	1.0
249.14986	1.8
255.13795	1.8
259.13184	1.4
259.15460	6.8
267.15924	39.6
273.14755	5.7
275.16379	1.4
281.54333	0.8
285.17032	1.1
291.15906	0.9
293.17490	6.3
301.16525	1.7
321.22235	0.9
339.23163	1.7
349.21680	4.0
357.24182	2.5
367.22653	12.7
385.23743	19.8
403.24619	6.7
433.25754	1.9
437.25189	1.0
441.26486	8.3
451.26923	5.5
459.27432	100.0
460.27692	3.2
477.28479	96.9
478.28925	2.6
491.30115	9.0
495.29498	8.4
501.28491	2.3
509.31940	3.9
527.28217	1.0
543.29572	1.3
567.29395	2.7
585.30298	1.1
603.31647	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	741.4396
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	1.3
57.03432	2.0
57.07072	3.3
61.02933	5.6
67.05510	3.1
69.03437	1.9
69.07065	1.5
71.01350	0.6
71.04996	0.7
71.08640	3.4
71.52454	0.8
73.02901	3.9
79.05495	2.6
81.03421	2.2
81.07043	3.1
83.04966	0.7
83.08626	1.8
85.02899	4.9
85.10182	1.8
85.35249	0.6
91.03961	3.8
91.05491	1.4
93.07052	3.0
95.08626	3.9
95.17532	0.7
97.02893	4.3
97.10184	0.8
99.04457	1.6
101.02394	2.5
107.08623	1.0
109.02861	1.0
109.10178	1.3
116.75281	0.6
119.08646	0.7
121.10119	1.1
127.03946	1.6
133.10191	0.7
135.11725	2.4
145.10097	1.6
147.04370	0.6
163.11214	3.1
184.07393	2.4
185.07797	0.9
191.55864	0.8
224.43129	0.6
227.12907	1.4
243.08514	2.8
249.10986	5.2
267.12097	0.7
305.13809	2.0
313.27438	1.4
337.27383	0.7
467.18903	6.6
485.19974	3.6
497.30768	6.2
561.38196	0.7
723.42987	20.2
741.43933	100.0
742.44269	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	741.4397
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	1.7
57.03443	1.6
57.07078	2.9
61.02926	3.7
67.05503	2.8
69.03442	2.4
69.07073	1.0
69.18102	2.3
69.18530	3.1
71.08633	2.2
73.02917	3.4
76.72952	0.7
77.36891	0.5
79.05505	1.6
80.38229	0.6
81.03429	2.5
81.07058	2.8
83.04971	1.0
83.08646	1.2
85.02913	5.0
85.05179	0.5
85.10200	1.8
87.71590	0.6
91.03983	3.2
91.04485	0.5
91.05500	0.8
92.62457	0.7
93.07063	2.0
95.04979	0.6
95.08624	2.7
97.02904	4.3
97.10181	0.9
98.21555	1.3
101.02389	2.0
105.07018	0.7
107.08636	0.9
109.10180	2.5
119.08596	1.2
121.10119	0.7
127.03881	1.5
135.11737	1.0
163.11212	1.6
169.66826	0.5
184.07419	0.8
191.10675	0.7
203.05391	1.0
209.11858	1.3
227.12837	0.8
243.08517	2.3
247.61649	0.6
267.12170	2.3
313.27460	1.6
441.17245	5.9
485.19830	5.6
497.30859	6.3
545.38739	0.6
697.41241	3.0
723.42566	1.6
741.43909	100.0
742.43958	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	741.3671
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03898	0.4
55.05450	0.7
55.05677	0.4
57.03346	1.2
57.06997	0.3
59.04921	0.4
61.02842	3.5
61.03174	0.6
67.05417	6.9
67.05818	1.0
67.68275	0.4
69.03334	1.9
69.06988	0.8
70.06526	0.3
71.04925	0.7
71.51999	0.4
73.02821	2.2
79.05396	3.1
81.03321	1.6
81.06954	3.3
81.07461	0.7
83.04912	0.8
83.08543	0.7
83.56915	0.3
85.02805	3.2
85.06455	0.4
88.83369	0.3
91.03852	2.3
91.05376	2.9
93.06940	3.3
95.04840	1.2
95.08488	1.7
97.02891	3.1
97.06424	0.6
99.04414	0.8
101.02270	1.2
103.03867	0.4
105.06914	2.1
107.04849	0.4
107.08466	1.4
109.02809	0.6
109.06459	0.4
109.10166	5.4
115.26001	0.4
117.06921	0.4
119.08584	2.3
121.06385	0.5
121.10085	0.6
127.03894	1.8
129.06952	0.8
131.08511	0.8
133.10023	0.8
137.09526	0.5
143.08475	0.8
145.04802	0.5
145.09988	1.0
147.11551	1.5
149.09514	0.5
155.10605	0.8
158.86282	0.3
161.13171	0.4
163.03897	0.3
163.11049	0.5
171.11574	1.4
173.11597	2.5
173.13077	0.7
177.00729	0.4
184.07278	0.7
185.04158	0.5
189.12527	0.5
195.09833	0.9
207.13733	0.5
229.14259	1.4
243.08455	2.3
247.13055	2.3
251.12582	0.6
281.17337	0.8
303.15665	0.8
413.17862	13.0
465.20959	11.2
618.12811	0.4
637.31958	100.0
638.32281	4.1
695.36652	0.7
723.35773	1.0
741.36835	15.6
742.37195	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	741.1817
Annotation	Kandelin A-1
Peak:m/z	Relative Intensity
53.03938	0.7
55.01871	2.1
57.08130	0.4
63.02380	0.7
65.03935	0.5
67.01872	1.1
67.05504	1.2
68.99790	13.2
69.03428	1.2
70.06584	0.5
70.66745	1.1
77.03925	0.9
79.05482	1.2
81.03429	2.2
83.04990	0.8
85.02921	1.2
89.03912	2.9
91.05471	1.2
93.03415	0.8
95.01346	0.8
95.04972	2.1
97.02923	0.7
103.05463	1.0
105.03408	1.2
107.01264	0.5
107.04962	5.2
109.02859	2.1
111.00807	0.9
111.04446	15.8
115.05477	0.7
116.89370	0.4
117.03375	2.7
119.04919	2.2
123.04430	55.2
125.02327	0.5
125.05990	0.8
127.03914	2.8
131.04961	2.2
133.06433	0.4
135.04419	49.4
137.02345	50.4
138.02748	0.5
139.03905	17.1
143.04906	1.0
145.02866	3.2
145.06477	0.8
147.04422	9.0
149.02275	0.6
149.05931	1.2
151.03906	5.8
153.01825	11.0
153.05467	9.2
155.03426	1.1
155.04874	0.8
157.06503	0.9
159.04417	3.9
161.02357	0.8
161.05971	4.2
163.03906	82.3
164.04459	0.9
165.05507	2.7
165.06699	0.4
169.06479	0.9
171.02887	3.3
171.04425	1.1
173.02406	0.8
173.05995	4.2
175.03912	3.9
177.05519	2.2
179.03397	100.0
180.03761	1.0
181.04958	0.6
181.06389	1.0
182.33395	0.4
183.04399	1.5
185.06004	1.5
187.03902	9.7
189.01868	0.8
189.05481	3.4
191.03380	4.6
193.04964	1.3
193.06573	0.5
195.04437	0.6
197.05991	1.2
199.03909	1.4
199.07524	0.8
201.05496	6.7
203.03403	6.9
203.07024	0.7
205.04961	4.1
207.02916	1.6
207.06482	1.0
209.06050	0.7
211.03929	2.4
211.07553	0.4
213.05536	2.4
215.03384	4.1
215.07037	0.5
217.04982	1.6
219.02910	1.0
221.06075	0.6
225.05466	1.3
227.03366	1.4
227.07083	0.9
229.04953	8.7
231.02905	1.7
231.06354	0.9
237.05434	1.0
239.03319	0.5
239.07030	0.7
241.04919	3.0
243.02962	1.2
243.06412	0.7
245.04535	2.1
247.05972	29.0
248.06483	0.6
249.05431	1.0
253.04967	2.0
255.02908	1.3
255.06573	1.8
257.04364	2.7
259.05930	2.7
265.05002	0.8
267.06528	1.6
269.04486	4.1
271.02780	0.6
271.05707	4.0
273.03952	1.4
273.07452	1.3
275.06998	1.3
277.04901	0.7
279.06412	0.7
281.04517	2.2
283.02805	0.9
283.05936	6.4
285.03970	3.3
285.07318	0.8
287.05493	2.5
289.07053	85.7
290.07413	1.4
291.08618	1.0
293.04471	0.6
293.08063	1.4
295.03055	0.6
295.05893	3.1
297.03918	4.7
297.07565	2.7
299.05392	2.7
301.03888	0.9
301.07025	7.2
303.06088	0.7
305.04443	1.4
307.06061	0.7
309.03906	2.7
311.05386	3.0
313.03757	0.6
313.06982	2.8
315.04974	5.0
315.08606	1.9
317.08066	1.7
319.06189	0.5
321.04111	0.9
321.07581	2.5
323.05521	5.9
325.07007	0.9
327.05045	1.8
329.06500	2.2
333.06082	1.3
333.09796	0.6
335.09045	2.4
339.04965	6.6
341.06522	12.3
345.07614	1.5
349.06946	1.3
351.04910	3.3
353.06635	0.9
363.04834	0.6
363.08646	4.7
365.06451	1.3
367.07953	0.9
373.06973	1.1
377.06430	1.7
391.08063	10.1
395.07523	0.6
407.07635	1.6
409.09195	16.2
410.09174	0.5
411.10721	2.4
415.08362	1.1
419.07587	3.4
431.07434	0.7
433.09213	19.9
435.10602	1.4
437.08698	8.2
449.08636	4.6
451.10229	43.4
452.10684	1.3
461.08578	4.6
473.08426	1.2
491.09659	0.6
529.11493	2.7
553.60345	0.5
571.12372	18.9
572.12488	0.8
583.12012	1.5
589.13092	1.8
595.12164	0.8
613.12469	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	740.4707
Annotation	Unknow
Peak:m/z	Relative Intensity
52.27892	0.1
55.05505	0.4
55.72213	0.1
56.05029	0.6
57.03430	0.2
57.07067	0.3
58.06624	0.5
59.07381	0.2
60.08167	5.8
65.79836	0.1
67.05508	1.0
69.07075	0.2
71.07376	2.8
71.08637	0.2
71.53192	0.2
79.05480	0.7
81.03410	0.3
81.07068	0.7
83.08605	0.3
86.09708	27.0
91.05491	0.4
93.07042	0.4
95.04956	0.2
95.08617	0.5
97.06526	0.1
97.10208	0.2
98.98462	2.6
104.10735	2.3
105.07043	0.2
107.08627	0.2
109.10152	0.4
119.08566	0.3
125.00008	17.6
126.18744	0.2
134.42416	0.1
143.01149	0.2
145.10132	0.2
149.09518	0.2
149.13199	0.2
163.11212	0.2
184.07344	100.0
185.07745	0.6
227.12785	0.2
283.15463	0.5
301.41983	0.2
306.27942	0.3
335.25674	0.2
438.86215	0.1
528.37653	0.3
543.36884	0.3
621.27057	0.3
650.43945	10.9
740.47015	6.1
741.46497	0.4
770.68658	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	740.4709
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	0.2
56.05032	0.6
57.03428	0.1
57.07060	0.2
58.06619	0.5
59.07376	0.2
60.08164	5.5
67.05497	0.8
69.06104	0.1
69.07065	0.2
69.37267	0.8
70.06604	0.2
71.07374	2.9
71.08624	0.1
79.05480	0.5
81.07045	0.4
83.08597	0.2
86.09707	27.1
87.10004	0.1
90.13083	0.1
91.05489	0.4
93.07044	0.6
95.04977	0.1
95.08606	0.4
98.98463	3.0
101.67770	0.1
104.10749	2.4
104.82421	0.1
105.07038	0.2
107.08601	0.1
109.10175	0.5
111.08032	0.1
117.07051	0.1
119.08552	0.2
120.31348	0.1
125.00006	18.4
131.08531	0.1
133.10133	0.2
143.38725	0.1
147.04459	0.2
147.11732	0.2
166.02461	0.1
171.11604	0.1
180.81448	0.1
184.07341	100.0
185.07664	0.6
209.11748	0.1
222.08913	0.2
281.17551	0.2
283.15329	0.1
309.97128	0.1
337.23660	0.1
473.35657	0.1
512.25262	0.1
543.36774	0.8
650.43945	10.9
651.44519	0.3
722.46234	0.3
740.47028	6.2
741.46179	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	740.4575
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	2.3
54.65965	0.5
55.01870	4.0
55.05513	13.3
56.48555	0.5
57.03439	8.5
57.07048	1.6
58.94394	0.5
60.08127	1.0
61.02896	1.0
65.03910	2.2
65.50261	0.6
67.05505	42.0
68.95395	0.5
69.03402	1.8
69.07069	13.0
71.04978	3.9
71.08591	0.8
73.02898	1.7
79.05492	37.2
81.03381	1.8
81.07055	46.9
83.04987	3.9
83.08162	0.8
83.08618	10.4
85.02897	1.0
85.06500	1.4
86.09702	2.8
91.05479	17.0
93.07041	54.5
94.07367	0.7
95.04971	7.2
95.08606	56.4
97.02883	3.8
97.06535	4.0
97.10132	1.7
98.98436	0.8
99.04449	4.0
100.61763	0.5
103.05457	1.0
105.04494	1.0
105.07028	13.4
107.04955	8.8
107.08595	37.8
108.08916	0.6
109.06471	2.2
109.10152	11.6
111.04416	1.6
111.08069	1.7
113.09534	0.6
115.05430	0.9
117.07008	9.6
119.08580	15.3
121.06508	4.8
121.10143	22.6
123.08093	0.7
123.11687	3.3
125.00002	1.6
125.05983	3.0
125.09633	0.6
130.07761	1.8
131.08592	4.7
133.10117	7.0
135.08014	2.0
135.11690	52.5
136.12012	0.6
137.09604	0.6
137.13223	0.8
139.07520	1.6
143.08516	1.4
145.10123	32.7
147.04393	0.6
147.11705	3.1
149.09587	0.7
149.13246	3.2
152.06201	0.5
153.12701	0.8
155.08566	0.7
159.11722	2.3
161.13214	1.9
163.11180	63.1
163.14799	1.7
164.11511	0.9
173.09612	1.0
173.13242	1.6
181.12225	10.1
184.07343	12.2
187.14729	0.6
191.81177	0.6
209.11723	1.3
227.12781	76.1
228.12965	0.8
241.96986	0.5
243.21022	2.2
261.22171	7.8
283.15384	100.0
284.15649	1.9
301.27255	0.6
317.24768	2.6
335.25793	99.9
336.26221	2.2
375.54175	0.6
543.36810	94.9
544.36969	2.4
561.37817	0.7
650.43878	0.9
740.42542	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	740.4576
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03913	1.8
53.40706	0.4
55.01870	2.6
55.05513	10.8
57.03437	6.9
57.07027	1.7
60.08136	1.0
61.02881	1.4
65.03944	2.3
67.05505	33.5
67.05831	1.3
67.06010	1.1
69.03382	1.2
69.07070	9.8
71.04992	2.2
71.16593	0.9
73.02899	0.8
73.14883	0.4
77.03907	0.5
79.05493	29.4
81.03368	1.4
81.07057	36.1
83.04976	2.3
83.08619	7.6
85.02862	1.2
85.06500	1.2
86.09704	5.4
91.05478	12.9
93.07045	38.6
95.04986	4.5
95.08607	44.2
96.08871	0.6
97.02844	1.9
97.06535	3.9
97.10131	1.3
98.98425	0.6
99.04462	2.5
103.05418	0.9
105.04482	0.8
105.07037	10.1
107.04960	5.9
107.08595	28.7
109.06461	1.5
109.10158	10.4
111.04472	0.6
111.08015	1.5
113.09644	0.5
115.05431	0.5
117.07025	7.3
119.08585	10.9
121.06496	4.2
121.10141	14.2
123.08025	0.8
123.11703	2.5
125.00005	3.6
125.06005	2.0
125.06743	0.4
125.09594	0.6
127.07541	0.5
129.07013	0.6
130.07735	0.9
131.08566	4.5
133.10138	5.4
135.08000	1.8
135.11690	34.6
137.09579	0.6
137.13232	1.1
139.07480	1.0
139.11066	0.6
143.08504	0.5
145.10124	21.0
147.11623	1.4
149.13254	3.5
153.12671	0.5
159.11688	2.4
161.13199	1.3
163.11177	38.9
163.14796	1.4
165.12802	0.4
173.13206	1.7
175.14825	0.8
177.16371	0.6
181.12228	6.9
184.07341	19.3
189.16351	0.5
209.11646	0.8
227.12785	44.8
228.13084	0.5
233.22676	0.4
243.21042	1.1
261.22128	5.7
283.15399	47.7
284.15533	0.6
306.27740	0.5
317.24817	1.5
335.25797	100.0
336.26309	2.0
469.33063	0.5
543.36829	76.0
544.37085	3.2
640.83990	0.5
650.43951	1.9
740.46082	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	740.4422
Annotation	Unknow
Peak:m/z	Relative Intensity
52.78802	0.5
53.03946	1.3
53.95307	0.4
55.01870	1.1
55.05518	5.4
57.03443	3.8
57.07084	0.6
57.32468	0.5
59.05006	0.6
61.02917	1.5
65.03936	0.7
67.05509	21.5
67.30960	0.5
69.03424	1.2
69.07076	3.2
70.06599	0.6
71.04998	9.5
73.02906	0.5
79.05500	12.0
79.05959	0.8
81.03424	18.1
81.07063	26.9
83.04997	3.3
83.08624	5.6
85.02911	1.2
85.06561	2.8
87.35173	0.5
91.03986	0.7
91.05487	13.2
93.07050	8.5
95.04973	10.2
95.08617	6.9
96.04501	0.5
97.02891	2.0
97.06548	2.8
97.10163	2.9
99.08092	0.8
105.04511	0.5
105.07034	8.0
107.04966	7.1
107.08605	7.2
109.06522	5.6
109.10152	5.1
111.04487	0.7
111.08076	2.2
115.05482	0.8
117.07056	2.5
119.08598	4.7
121.06517	6.8
121.10154	4.4
123.04449	0.6
123.08076	1.7
123.11707	3.5
125.09641	2.5
129.07028	4.5
130.42529	0.5
131.04930	0.8
131.08568	5.4
133.06512	1.4
133.10144	8.0
134.10544	0.7
135.08093	2.7
135.11708	1.6
137.09639	0.7
141.07037	0.8
143.08557	1.5
145.06514	1.8
145.10085	2.5
147.08081	2.7
147.11713	2.7
149.09605	2.9
149.13284	1.8
151.11223	2.2
155.08566	0.9
157.10136	3.4
159.08058	1.2
159.11722	2.5
161.09601	1.2
163.11226	1.5
165.12854	0.6
169.10110	0.6
171.08121	0.5
171.11742	1.2
173.09547	0.8
173.13312	1.7
175.11235	2.2
177.12825	0.9
183.11676	0.9
184.07358	1.0
187.13313	1.0
189.09181	0.7
189.11212	1.2
189.12816	0.6
191.14333	1.8
193.12265	3.7
195.13713	0.8
195.34653	0.5
197.13304	0.6
199.11333	0.8
199.14861	0.7
201.12869	1.1
211.13280	0.6
213.12788	0.6
217.15939	0.6
219.13727	2.7
221.15317	0.8
223.13399	0.7
227.12831	0.9
229.14169	0.9
243.15901	0.5
249.14865	1.3
251.16537	0.8
257.15256	0.7
257.17639	1.2
259.74600	0.5
267.15948	8.8
269.17578	1.8
271.16818	0.6
273.14905	0.6
275.16599	0.9
275.20230	1.0
285.17084	1.1
293.17618	0.6
301.20102	3.6
315.23282	0.7
325.21631	1.3
343.22775	4.0
361.23639	0.6
369.24454	2.1
387.25421	1.2
389.26990	0.5
417.26334	2.2
425.26810	1.2
435.27463	11.5
439.26886	1.0
443.27991	7.7
461.29025	100.0
462.29138	2.9
475.30716	1.4
477.28354	0.7
493.31680	4.3
503.30560	0.7
527.29529	0.6
569.30835	0.7
585.30573	0.5
605.33618	0.7
619.34546	1.1
723.65356	0.6
740.39301	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	740.4061
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	5.3
55.01868	17.7
55.05269	1.5
55.05514	23.9
57.03438	22.0
57.07068	1.9
59.04993	6.6
61.02923	2.3
65.03934	3.5
67.05505	46.8
69.03428	6.4
69.06775	1.0
69.07073	10.7
69.38364	2.7
69.38770	5.2
71.01346	1.9
71.04998	6.5
73.02906	3.3
79.05487	38.9
81.03417	100.0
81.07055	33.0
82.04198	2.0
83.04979	25.1
83.08147	1.9
83.08617	29.8
85.02908	6.1
85.06538	3.3
87.04470	3.3
91.03962	1.3
91.05481	36.5
93.03429	1.2
93.07040	31.8
95.04963	36.1
95.08601	17.5
97.02883	10.1
97.06530	11.5
97.10168	12.0
98.07290	2.3
98.20700	1.7
99.04436	2.9
99.08068	3.3
103.05450	1.4
105.07027	19.8
107.04954	20.5
107.08595	20.7
108.74317	0.9
109.02864	1.3
109.06487	6.6
109.10152	19.8
111.04450	14.3
111.08082	13.5
115.05451	2.8
116.04694	5.6
117.05500	1.3
117.07039	7.7
119.04990	1.6
119.08580	19.2
121.02858	4.2
121.06491	10.7
121.10139	13.1
123.04430	3.2
123.08060	3.5
125.06032	1.4
125.09616	12.6
127.03903	1.0
128.06232	1.8
129.05501	14.0
129.06989	13.1
131.04919	1.6
131.08560	16.3
133.06491	4.7
133.10135	9.5
135.04442	5.1
135.08052	4.7
135.11685	18.3
137.06000	2.0
137.09576	3.4
141.07025	1.7
142.07773	2.8
143.07043	3.0
143.08557	1.5
145.06487	3.0
145.10100	13.9
147.04469	1.8
147.08080	5.3
147.11702	10.9
149.06003	1.7
149.09612	9.5
151.11086	1.3
153.09113	2.5
153.12746	29.3
155.08551	2.6
157.08604	5.7
157.10123	14.9
159.08014	1.3
161.06030	1.6
161.09572	1.8
163.11176	26.8
165.12766	2.4
169.10245	1.1
171.10184	4.0
171.11526	1.5
173.04617	1.1
173.09621	3.6
173.11758	2.8
173.13165	1.9
175.11194	12.5
181.12242	20.6
183.11687	2.7
185.13338	1.2
189.11169	6.3
191.10658	11.2
193.12238	37.0
199.13286	4.2
200.14058	1.3
201.12804	1.8
201.14896	2.7
203.14209	1.5
209.11748	9.7
211.13257	10.8
219.13797	2.7
223.82567	1.1
225.14886	1.3
227.12785	47.2
228.13181	1.4
229.12267	1.9
229.14320	16.4
231.13782	2.5
247.13292	22.1
249.14975	4.9
255.15974	1.9
265.14337	2.3
267.15918	77.6
268.16351	1.6
273.14795	1.3
283.15369	34.2
285.16968	2.8
301.13306	1.8
301.16495	20.8
321.16919	7.4
355.22665	2.0
365.20859	1.4
373.23758	1.7
383.22147	5.8
401.23215	4.6
403.24713	1.2
421.25958	5.2
433.25491	1.3
439.26633	3.6
457.25598	3.0
458.26791	1.1
459.27249	2.1
475.26917	23.0
476.27652	2.9
493.21320	1.5
493.27972	23.7
507.29431	1.3
525.30267	1.8
591.90131	1.1
766.88391	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	740.4064
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	6.5
53.30091	1.6
54.24489	1.8
55.01876	8.8
55.05265	3.0
55.05511	33.5
56.05040	29.1
56.96563	2.5
57.03433	17.9
57.05818	2.3
57.07063	1.8
58.02963	19.3
58.06585	3.6
59.05007	17.3
60.08152	6.4
61.02707	1.5
61.02931	19.3
67.05508	64.4
68.05017	5.1
69.03434	12.8
69.07071	14.2
70.02949	2.8
70.06598	20.3
71.04994	13.9
71.07364	4.4
72.04520	62.3
72.08149	2.7
73.02922	9.6
74.06081	2.9
79.05495	34.1
80.05029	10.0
81.03422	69.5
81.07059	40.2
82.06573	7.4
83.04977	10.4
83.08623	22.3
84.04509	24.7
84.04986	2.8
84.08138	5.5
85.02912	20.7
85.06538	6.2
86.06075	3.3
86.09708	28.5
87.04461	4.1
91.03967	6.3
91.05482	35.7
93.07047	32.4
94.02296	1.6
94.06567	5.4
95.04967	23.1
95.08617	23.7
96.04491	10.9
96.08115	4.4
97.02901	21.6
97.06530	14.3
97.08923	2.3
97.10184	12.1
98.06034	6.8
98.07346	1.8
98.09685	2.2
98.98489	2.6
98.99278	1.8
99.04453	4.0
99.08052	2.3
100.03978	3.6
100.07557	1.7
102.05550	35.1
103.05511	2.2
104.10748	24.3
105.07043	18.1
105.36871	1.6
105.77550	1.8
106.06535	2.3
107.04978	11.0
107.08607	16.0
108.08166	1.8
109.02878	2.3
109.06532	6.3
109.10159	40.7
110.06032	4.9
110.09694	4.3
111.04440	3.9
111.08086	7.3
112.07573	4.9
114.09181	1.8
114.12800	6.5
115.03877	3.0
115.05421	1.9
117.07042	7.2
119.04980	3.6
119.08585	18.8
120.08046	2.6
121.02875	2.1
121.06498	4.8
121.10150	17.6
122.06033	2.4
123.04422	7.5
123.08076	7.7
123.11694	4.1
124.11228	2.3
125.00005	14.1
125.09650	12.6
126.05543	3.3
127.03919	4.2
129.05525	3.7
129.07014	9.6
130.07806	1.7
131.08559	12.0
133.06517	3.9
133.10136	8.9
135.04399	3.9
135.08075	4.8
135.11681	6.0
136.07603	2.3
136.11249	2.3
137.09598	6.3
138.12798	5.3
139.03909	11.1
139.11139	2.7
140.07068	2.6
140.10718	4.1
142.07722	2.1
142.12294	3.6
143.06970	2.4
145.02835	3.2
145.10115	8.7
147.04378	5.2
147.08075	5.4
147.11673	11.9
148.11186	2.6
149.09627	12.6
151.03926	1.9
151.07477	2.1
153.09090	2.0
154.12265	6.6
155.08310	2.5
155.10664	3.4
156.13831	3.6
157.10101	12.1
163.03908	15.0
163.11160	8.8
164.07127	2.3
164.10675	3.4
165.12735	2.7
166.12262	15.7
168.13773	2.3
173.09631	4.0
173.11815	9.5
175.11206	8.0
177.05486	13.4
180.13802	2.5
181.04932	2.3
181.12218	2.1
182.11781	6.1
182.15379	18.6
183.12567	7.2
184.07344	68.5
184.13332	27.5
185.11697	2.2
188.74942	1.9
189.08994	2.2
191.10716	6.1
192.13844	3.1
193.12260	18.3
199.13338	5.1
201.05487	2.2
201.14915	2.8
203.03320	2.5
204.03745	2.2
207.06430	3.2
208.13414	9.6
209.11633	3.6
210.14911	41.8
211.13292	4.0
213.14885	2.1
222.14871	4.2
223.13269	2.0
226.14368	8.3
227.12653	4.7
228.15933	4.4
229.14365	42.5
240.15674	3.7
246.14743	2.7
246.17146	2.1
249.14993	2.6
256.15512	2.5
257.04395	2.6
258.04752	2.6
258.17056	4.3
259.09583	3.3
259.15417	5.3
267.15945	50.6
282.17050	2.3
283.15378	3.7
284.18698	8.5
289.21671	2.4
299.15030	2.1
300.18097	6.1
302.19534	4.7
315.18048	4.8
318.19235	3.2
338.21298	1.9
342.39331	1.8
346.23596	2.1
363.25241	3.1
374.23746	2.0
381.26480	5.3
384.21585	2.3
392.23856	2.4
400.25043	2.1
412.27222	4.4
418.26028	2.2
420.27173	3.3
421.25909	17.0
430.27673	2.6
431.24307	3.4
438.28540	5.4
449.26126	4.4
456.29718	20.6
464.29990	5.5
466.27829	3.6
467.28583	2.0
475.26932	3.2
482.30905	3.4
484.29260	4.3
492.29446	7.8
494.30927	3.0
498.30920	3.2
510.30469	13.9
516.31683	11.3
528.31732	68.3
530.15186	4.0
542.33105	6.3
560.34338	18.8
618.34723	18.9
646.34406	2.7
672.36060	9.2
690.36908	100.0
691.36725	2.4
704.39075	2.7
722.39709	67.6
723.39758	3.9
740.29584	8.1
740.40338	5.6
741.25195	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	738.4914
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	0.1
56.05049	0.7
57.07077	0.3
58.06638	0.4
59.07405	0.2
60.08167	6.0
67.05502	0.1
70.06608	0.1
71.07378	3.2
71.08611	0.1
81.03424	0.5
81.07064	0.2
86.09710	29.1
87.10015	0.2
91.05497	0.2
93.07041	0.2
95.04961	0.1
95.08610	0.2
98.98466	2.8
104.10747	2.4
109.80466	0.1
125.00011	19.5
143.01082	0.2
163.23682	0.1
166.02745	0.1
184.07347	100.0
185.07715	0.6
188.85907	0.1
193.12202	0.1
229.12317	0.1
267.16071	0.5
308.04214	0.1
313.27478	0.5
505.38730	0.5
634.44049	0.1
688.45490	10.8
689.45862	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	739.424
Annotation	Unknow
Peak:m/z	Relative Intensity
54.30808	0.8
55.05512	1.1
57.03429	3.2
57.07080	4.3
60.55005	0.7
61.02931	4.5
67.05517	2.6
69.03426	3.4
69.07051	1.2
71.01357	1.2
71.04990	0.7
71.08640	2.2
71.52727	0.9
73.02924	3.5
79.05494	1.2
81.03425	2.5
81.07072	4.0
83.04969	1.3
83.08619	1.9
85.02906	5.7
85.10192	1.3
86.09715	2.8
89.06020	1.0
91.03953	2.8
91.05480	1.1
93.07047	2.5
95.08626	4.2
97.02894	4.5
99.04502	1.1
101.02390	1.6
107.05019	1.3
107.08606	0.8
109.02885	1.2
109.10175	1.5
112.70383	0.9
124.99997	2.1
127.03880	1.9
132.90779	0.8
133.10175	3.3
135.11737	0.8
140.83710	0.8
147.04457	2.2
161.09593	0.8
163.43913	0.8
179.10667	1.4
184.07365	8.3
184.46501	1.1
184.60977	0.8
185.07727	0.8
186.89798	0.8
189.77092	0.8
227.96419	0.8
265.10522	0.9
313.27396	1.4
314.27765	1.2
322.04703	0.9
419.02850	0.8
483.18475	7.8
497.30960	3.5
577.37183	0.9
739.42395	100.0
740.42749	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	738.4785
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	3.2
55.05510	9.5
57.03447	5.3
57.07081	2.3
57.26828	0.9
65.03923	1.7
67.05508	34.4
69.07075	9.3
69.92220	4.5
71.05000	1.2
71.07407	1.2
71.08627	1.5
73.82796	1.0
77.03922	1.0
79.05497	38.3
81.03426	4.8
81.06588	2.1
81.07056	35.5
83.04971	4.6
83.08611	5.0
85.02892	1.1
86.09689	2.8
91.05482	28.7
93.07047	41.3
95.04955	7.9
95.08608	23.1
97.06525	2.0
97.10173	3.0
105.04475	1.3
105.07029	19.1
105.38087	1.0
105.50256	1.0
107.04945	2.9
107.08601	13.1
109.06506	2.3
109.10162	7.1
117.07005	4.5
119.08588	13.3
121.10130	7.3
122.63135	1.0
123.08100	2.0
123.11667	2.0
125.00051	1.1
129.06979	6.5
131.08545	3.9
133.10138	8.4
135.11670	5.2
143.08575	4.4
145.10162	6.0
147.08075	1.2
147.11696	15.9
149.09770	0.9
149.13205	1.2
151.11230	1.6
159.11674	2.6
161.09680	2.1
161.13245	5.6
171.11684	10.3
173.13226	2.6
176.40074	0.9
179.08366	0.9
184.07344	6.5
184.17116	1.1
189.12753	3.0
207.13837	10.4
243.21149	1.2
261.22116	3.8
279.16086	2.2
281.17477	31.1
301.16449	1.2
313.27423	2.5
315.28009	1.1
317.24762	1.2
335.25787	40.7
522.42120	1.1
523.39160	1.0
541.38947	100.0
542.39130	4.5
575.02277	1.0
738.47064	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	738.4265
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	3.4
55.01860	4.1
55.05267	1.4
55.05511	14.8
57.03437	8.7
59.04993	1.7
61.02914	1.8
65.03937	2.3
67.05506	24.7
69.03439	5.7
69.07072	6.3
70.06561	1.1
71.05003	5.1
71.52893	1.2
73.02926	2.0
74.91959	0.8
76.15790	0.8
79.05072	1.5
79.05498	22.5
81.03420	52.7
81.06597	1.5
81.07063	24.7
83.04978	7.2
83.08148	1.4
83.08620	17.1
83.49303	0.9
85.02902	4.2
85.06571	2.1
91.05485	22.0
93.06499	1.0
93.07047	17.7
95.04968	22.5
95.08611	11.0
96.95763	0.9
97.02873	5.9
97.06525	4.1
97.10172	15.0
105.07039	13.7
107.04959	15.3
107.08598	14.5
109.02889	2.6
109.03751	0.9
109.06532	10.0
109.10153	10.8
111.04440	2.6
111.08064	5.0
115.05528	1.1
117.07026	5.5
119.08580	14.4
121.02792	1.1
121.06510	8.9
121.10148	10.6
123.04418	2.5
123.08056	5.7
123.11696	1.7
125.05971	1.1
125.09639	15.5
127.03907	1.0
129.07014	7.6
131.04955	2.6
131.08562	10.2
133.06491	5.3
133.10132	10.9
135.08051	6.5
135.11674	2.7
137.05951	1.1
137.09598	2.6
139.03944	1.2
139.11186	1.3
141.06944	2.3
142.07759	1.6
143.08557	3.0
145.06487	6.3
145.10104	6.7
147.04375	1.6
147.08046	3.6
147.11697	7.0
149.09647	7.4
151.11192	2.3
153.09135	2.2
153.12740	2.2
155.08559	1.8
157.10139	7.8
159.08047	2.1
159.11700	3.4
161.06003	1.1
161.09636	3.7
163.04041	1.9
163.11142	5.7
165.12738	2.1
169.10107	1.8
171.08023	2.1
171.10300	1.1
171.11668	2.4
173.09662	2.2
173.11740	0.9
173.13239	1.2
175.11197	9.1
177.12659	1.3
179.10667	1.7
181.10045	0.9
181.12218	1.2
184.07237	1.4
185.09569	1.3
185.13284	1.4
187.11203	1.8
187.14723	1.5
189.09451	1.7
189.11241	7.3
189.12666	1.3
191.10689	1.6
191.14308	1.6
193.12238	18.2
195.08208	1.2
195.11691	2.1
197.13341	1.8
199.11215	2.4
199.13222	1.3
203.14262	1.5
205.12202	1.3
207.13739	1.3
209.11635	1.7
211.11375	1.4
211.13286	3.6
213.12778	1.4
215.14304	3.2
217.12239	1.2
219.13715	3.8
223.13287	2.8
227.12749	3.6
229.14333	1.3
231.13782	1.5
233.15414	3.9
235.13237	1.8
237.12720	1.2
241.14240	1.6
244.56938	1.0
246.14983	1.1
249.14891	1.4
255.13808	2.1
259.13324	1.4
263.16678	1.1
267.15924	54.6
273.14706	5.2
293.17542	1.8
299.14813	3.2
317.15912	4.1
339.23196	2.8
349.17752	1.1
349.21695	5.3
357.24249	2.5
367.22681	13.4
385.23752	19.3
403.24933	8.3
405.24121	1.4
423.25522	1.7
437.25455	1.4
441.26370	10.2
459.27426	100.0
460.27777	3.1
473.25104	1.3
477.28503	92.3
478.28699	2.7
491.30801	11.8
501.28415	2.3
509.27792	4.0
509.30688	4.2
517.60785	1.0
541.29822	1.1
671.30914	1.2
719.56384	1.1
738.39612	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	738.3904
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.9
55.01872	4.9
55.05512	20.2
56.74487	0.6
57.03439	14.1
57.07086	1.1
59.05001	11.6
61.02920	1.3
65.03944	2.0
67.05505	67.3
69.03418	3.4
69.07072	6.5
70.06572	0.6
71.01353	0.5
71.04990	7.6
72.08167	0.6
73.02917	1.2
73.41100	0.4
77.03959	0.8
79.05493	27.6
81.03419	7.7
81.07056	26.5
83.01360	0.6
83.04980	5.3
83.08625	11.9
85.02903	4.1
85.06551	2.3
87.04474	12.8
87.04977	1.0
91.05486	12.1
93.07044	36.7
95.04964	6.9
95.08607	34.7
97.02892	7.0
97.06526	4.8
97.10175	7.6
99.04449	10.6
99.08069	0.7
101.06017	0.7
103.05411	0.6
105.04470	0.6
105.07040	8.3
107.04961	10.6
107.08596	27.7
109.02900	1.0
109.06528	2.6
109.10156	51.9
110.10555	0.6
111.04441	3.8
111.08070	3.8
113.06010	0.5
115.05510	0.6
117.07015	9.5
119.08583	13.8
121.06504	5.8
121.10142	12.6
123.04454	0.8
123.08041	1.4
125.05986	3.4
125.09626	5.5
127.03952	1.0
127.11134	0.6
129.07013	0.7
130.07779	1.8
131.08582	2.1
133.10150	2.8
135.08069	2.2
135.11691	45.2
137.05872	0.6
137.09639	2.9
139.07545	1.6
143.08516	1.4
145.10127	29.0
146.10468	0.8
147.08112	0.5
147.11688	0.8
149.09555	0.6
150.15674	0.5
153.12770	1.7
155.08624	0.8
155.10667	5.1
163.11180	62.4
164.11591	0.6
173.09605	1.3
173.11746	13.9
173.13184	0.9
181.12239	11.9
191.10596	2.7
193.12253	1.0
199.13298	6.3
205.38277	0.5
209.11707	4.0
211.13295	1.6
223.13203	1.0
227.12779	79.9
228.13127	1.0
229.14354	76.6
230.14667	1.0
241.14362	2.3
257.13861	0.8
265.14307	1.4
267.15839	2.4
283.15390	59.2
284.15698	0.8
299.14960	0.5
301.16711	0.5
311.14905	1.6
315.18033	12.3
333.19104	1.2
407.24362	2.1
425.25455	4.1
437.25357	100.0
438.25690	2.0
491.26270	1.0
509.27313	1.5
523.28967	1.8
541.30054	3.1
738.38171	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	738.3908
Annotation	Unknow
Peak:m/z	Relative Intensity
52.85798	0.4
53.00305	1.6
53.03946	2.5
55.01865	3.9
55.05511	14.8
56.96587	0.5
57.03439	12.7
59.05001	2.0
61.02920	1.2
65.03001	0.4
65.03938	1.2
67.05505	18.2
68.77908	0.5
69.03439	4.2
69.07063	4.2
71.01357	1.6
71.04990	2.4
72.42106	0.5
73.02924	1.3
79.05494	15.8
81.03419	70.1
81.07056	20.7
83.04987	6.2
83.08620	23.4
83.09123	1.1
85.02906	3.0
85.06544	2.6
87.04473	0.8
91.05481	27.6
93.07048	19.4
93.07642	1.1
95.04968	22.7
95.08606	8.4
96.04485	0.7
97.02891	7.7
97.06531	4.2
97.10161	6.5
98.20693	1.1
99.00822	13.3
99.01467	0.8
99.04450	0.8
99.08102	1.6
101.02369	0.5
103.05474	1.2
105.04521	0.5
105.07036	20.4
106.07288	0.5
107.04960	13.1
107.08596	12.0
109.02882	12.8
109.03600	0.8
109.06526	6.1
109.10155	6.7
111.04441	3.5
111.08083	10.0
113.05994	0.8
115.03942	2.3
115.05465	1.7
117.06995	4.7
119.04961	1.6
119.08585	17.9
121.02911	1.0
121.06506	11.1
121.10149	5.7
123.04404	3.0
123.08092	2.8
123.11686	2.6
125.06051	0.7
125.09625	5.8
127.03123	0.6
127.03896	2.8
128.06229	1.4
129.07008	8.9
131.08562	9.5
133.06502	4.1
133.10133	40.4
134.10500	0.8
135.04469	0.7
135.08051	2.4
135.11694	2.2
137.06021	1.9
137.09615	3.4
139.03926	1.1
139.07542	3.6
141.07002	0.7
142.07768	2.2
143.08566	6.5
145.06505	1.5
145.10138	3.9
146.07256	0.5
147.04425	1.5
147.08060	4.4
147.11693	7.1
149.09644	4.7
151.11183	12.6
151.41528	0.5
153.09125	1.2
153.12672	0.7
155.08525	0.6
157.10126	10.2
159.07994	0.5
159.11693	1.2
161.06006	0.9
161.09619	24.0
162.94995	0.5
163.03944	1.1
163.07593	0.7
163.11223	2.8
165.09108	1.3
165.12738	1.2
170.41943	0.6
171.08031	5.1
171.10242	1.0
171.11623	1.0
173.13269	0.8
175.11186	10.2
177.05463	0.5
179.10686	11.8
179.12215	1.0
181.12146	0.7
185.13094	0.6
189.09132	13.0
189.11226	4.0
189.12776	0.8
191.07091	0.5
191.10875	0.8
191.14320	0.9
193.12241	24.4
197.11742	4.0
201.12772	0.9
205.12241	0.8
207.10197	4.6
209.11769	1.1
211.11389	0.9
211.13313	3.3
214.52249	0.6
219.13808	9.5
223.13280	0.7
225.11200	12.3
225.14806	1.0
227.12794	3.6
235.13268	0.9
237.14854	0.8
243.12248	1.2
249.14856	1.5
263.12781	1.7
267.15915	88.7
268.16260	1.8
273.14786	0.8
281.13788	5.9
283.15497	1.0
285.16858	1.4
299.14899	78.9
300.15250	1.4
301.13864	0.5
309.16998	0.9
317.15823	0.7
343.22369	0.5
353.21228	0.7
363.19537	0.7
371.22281	0.8
381.20786	2.1
387.12674	0.5
389.23282	1.7
399.21637	1.8
407.24408	1.1
417.22720	1.7
437.25183	0.5
445.25851	11.3
447.27304	0.9
455.24173	0.9
459.27570	2.2
463.26935	6.7
473.25360	26.8
474.25571	1.6
477.28348	2.0
491.26407	100.0
492.26974	3.3
509.27325	6.2
523.28540	0.8
533.27289	2.0
541.29553	0.5
587.28668	0.7
617.29889	0.7
648.43304	0.5
734.94513	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	738.3904
Annotation	Unknow
Peak:m/z	Relative Intensity
51.80915	0.7
53.03934	2.8
53.80301	0.6
55.01871	5.5
55.05276	1.3
55.05516	17.1
57.03440	10.6
57.07090	1.1
59.04751	0.9
59.05002	11.3
61.02925	1.6
65.03924	2.1
67.05506	61.7
69.03413	3.4
69.07071	8.3
70.06599	0.8
71.04997	7.8
71.17254	1.4
73.02903	1.9
79.05496	25.6
81.03420	6.9
81.06590	1.2
81.07060	23.5
83.04982	6.5
83.08627	12.7
85.02905	3.5
85.06551	2.6
87.04467	8.9
91.03945	1.0
91.05480	13.8
93.07047	32.5
95.04967	7.4
95.08609	39.0
97.02890	6.5
97.06522	4.2
97.10170	6.3
99.04454	9.5
103.03882	0.7
103.05468	1.0
105.07050	6.5
107.04961	8.8
107.08601	25.8
109.02869	0.8
109.06508	2.8
109.10159	51.4
111.04434	2.5
111.08105	4.1
113.06061	1.0
117.07011	10.3
119.08588	13.7
121.06527	5.7
121.10151	12.9
121.75377	0.8
123.04416	1.3
123.08016	1.7
125.05976	2.9
125.09640	5.5
127.03903	1.2
129.07002	1.7
130.07759	0.9
131.08588	2.0
133.10170	3.9
135.08044	2.2
135.11694	38.4
137.09634	3.1
139.07573	1.6
143.08537	1.0
145.06497	0.9
145.10126	28.3
147.11676	1.0
149.09694	1.5
153.12724	2.5
155.10713	4.8
157.10170	1.1
163.03853	0.9
163.11189	52.5
173.04462	1.1
173.09610	1.9
173.11739	13.0
177.27293	0.8
181.12245	10.7
191.10628	2.2
193.12296	1.0
197.18806	0.8
199.13263	4.6
209.11751	3.8
211.13261	2.7
223.13434	0.9
227.12787	79.5
228.13252	1.3
229.14357	75.8
239.30983	0.9
241.14386	1.8
253.14465	1.0
258.82758	0.8
261.10495	0.9
265.14438	2.2
267.15839	4.8
283.15396	56.7
301.16589	0.9
311.14948	2.3
315.18024	9.4
333.19260	1.5
334.00085	0.7
407.24567	0.9
425.25266	2.4
437.25360	100.0
438.25629	3.1
477.28726	0.9
491.26483	2.4
495.30002	1.3
509.27396	0.9
523.28827	1.7
540.33649	0.9
541.30237	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	737.4473
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	6.6
55.01867	11.0
55.05511	30.4
57.03436	11.7
57.07063	3.2
59.04984	1.9
61.02639	1.9
61.02930	20.5
62.66758	1.4
65.03937	3.0
67.05505	66.2
69.03432	14.8
69.07066	24.0
69.35296	4.2
69.35725	5.7
70.06589	4.9
71.01363	1.7
71.04993	11.9
73.02923	8.8
77.03883	1.3
79.05496	52.2
81.02973	2.6
81.03419	24.2
81.06583	2.9
81.07056	59.7
83.04993	11.6
83.08619	20.2
84.04521	1.9
85.02908	18.7
85.06542	8.0
86.09704	3.7
87.04477	1.8
91.03963	7.8
91.05485	43.9
93.07047	43.9
93.07637	2.6
95.04974	14.9
95.08607	37.4
96.70934	1.4
97.02887	19.8
97.06527	9.1
97.10173	20.0
98.20683	3.0
99.04440	4.1
99.08084	4.3
101.02388	2.2
101.07094	1.3
101.20662	1.5
103.05457	2.5
105.07036	40.0
107.04982	8.8
107.08596	33.6
109.02878	5.2
109.06503	8.0
109.10155	25.8
109.48971	1.3
110.10471	2.0
111.04431	4.7
111.08084	6.2
115.05444	3.9
116.06239	1.5
117.07014	25.7
119.07805	2.4
119.08594	32.5
121.06515	4.5
121.10146	20.6
123.04440	1.7
123.08054	8.4
123.11730	5.7
125.05997	2.3
125.09643	15.6
127.03922	6.0
128.06247	5.0
129.05511	2.0
129.07005	20.1
131.08574	33.4
133.06471	5.5
133.10127	20.0
135.08066	6.6
135.11687	10.9
137.06071	1.3
137.09598	2.5
139.11177	1.7
141.07027	7.8
142.07758	4.0
143.08574	24.7
144.09389	1.4
145.06497	3.8
145.10129	33.0
146.10675	1.8
147.08058	8.0
147.11662	16.2
149.09641	8.4
149.13260	2.8
151.11143	3.2
153.09120	2.5
153.12752	2.6
155.08568	13.7
156.09406	1.6
157.10150	24.8
159.08067	4.4
159.11707	22.4
161.09613	5.2
161.13264	5.2
163.11118	7.2
164.67944	1.6
165.07014	2.2
165.09084	1.6
167.08559	4.3
167.10655	1.9
169.10138	15.5
171.08055	2.8
171.11687	16.1
173.04485	2.4
173.05930	1.6
173.09579	6.6
173.11841	2.1
173.13208	13.6
175.11163	5.9
175.14859	2.5
177.12766	2.9
179.08614	2.5
181.10130	8.2
183.11697	13.6
185.09612	2.1
185.13235	9.6
186.13846	1.7
187.11203	3.5
187.13300	1.5
187.14851	5.0
189.11206	6.6
189.12750	2.5
193.10168	3.9
193.12247	4.9
195.11726	12.7
195.13550	2.3
197.09550	1.5
197.13254	10.7
199.11246	1.8
199.13206	2.1
199.14830	7.6
201.12737	2.1
203.04129	1.4
207.11678	3.0
207.27452	1.4
209.13274	9.6
211.13303	4.4
211.14897	4.2
213.16429	3.1
217.15817	1.8
219.11656	3.2
221.13295	3.2
223.14830	4.4
225.16428	2.1
227.12617	9.6
229.14268	3.6
233.13275	1.9
237.16457	3.6
239.14279	1.4
245.13416	2.3
255.17764	1.5
255.21068	1.4
257.19150	1.7
259.20471	2.2
263.17871	1.6
267.15927	5.6
271.20630	1.8
273.18738	6.9
275.20166	7.5
283.20557	4.0
285.10269	1.6
285.16971	1.6
285.22098	3.5
287.20020	3.6
291.19577	9.1
297.22083	3.7
299.20316	2.5
299.23639	8.1
301.21750	1.4
302.20493	1.5
309.21490	1.8
321.22168	2.6
325.21817	2.3
327.23245	1.7
335.23602	1.4
338.14145	1.4
339.23422	1.9
347.22214	3.2
349.24051	2.9
350.16785	2.5
351.23083	2.0
357.24374	2.2
359.25864	1.5
361.23785	1.7
365.09018	1.6
365.23431	4.6
415.30054	4.3
421.25937	3.8
423.32471	1.7
431.27847	1.9
433.30991	18.7
443.27905	5.0
451.32260	12.3
461.28928	2.9
465.33755	1.7
469.33090	5.8
483.34653	2.7
489.33487	2.9
499.33981	2.0
507.34720	9.6
517.35535	12.7
525.35785	77.2
526.36053	4.1
539.37390	3.4
541.34979	2.0
543.36859	100.0
544.36603	3.0
557.38831	23.2
575.39734	24.9
633.37866	1.5
669.39294	1.9
679.40430	3.7
687.40393	5.3
705.41498	2.7
719.40149	5.8
737.33777	2.9
737.44360	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	736.4841
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	2.6
55.01872	6.5
55.05513	17.8
57.03434	17.1
57.07075	44.8
61.02924	6.6
65.03954	1.6
67.05504	35.2
69.03448	3.4
69.07075	14.9
71.01361	4.7
71.04990	4.5
71.08631	33.7
73.02919	2.0
79.05496	29.2
81.03416	22.7
81.07062	40.5
83.01373	2.0
83.04989	17.6
83.08624	21.1
85.02906	10.6
85.06566	2.0
85.10197	15.0
86.09695	5.4
86.62964	1.6
89.06019	1.5
91.05483	15.3
93.07047	29.6
95.04971	9.2
95.08609	31.6
97.02901	8.9
97.06528	11.2
97.10150	9.9
99.04447	3.8
105.07057	7.8
107.04951	15.6
107.08589	18.6
109.06535	4.3
109.10162	14.8
111.04449	13.5
111.08102	4.7
117.07018	11.4
119.08604	12.7
121.06512	4.4
121.10150	12.4
123.08067	5.3
123.11703	4.6
124.95348	1.5
124.99988	3.6
125.05928	1.7
125.09688	3.3
129.07037	3.1
131.08580	10.4
133.10135	4.9
135.08086	4.3
135.11687	18.9
137.09610	2.1
145.10129	21.5
147.08069	3.9
149.09608	4.6
151.11212	1.7
153.12764	13.4
155.08583	3.9
163.11198	33.2
173.09644	7.1
177.55093	1.6
181.12260	7.7
184.07385	16.6
188.45660	1.6
191.10670	15.6
193.72108	1.6
209.11746	31.0
227.12791	17.0
239.23787	3.1
257.24768	2.9
265.14398	6.0
283.15414	59.8
301.16476	69.3
313.27374	100.0
314.27658	4.3
503.37250	7.0
521.38391	64.2
539.39478	88.7
540.39545	2.1
652.23651	1.7
736.17871	1.9
736.47833	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	737.411
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	10.6
55.01866	10.8
55.05513	32.0
57.03438	20.4
57.07077	3.2
59.04990	2.3
61.02932	20.6
65.03938	4.4
67.00594	1.8
67.05508	49.1
69.03434	18.3
69.07070	26.6
71.01343	2.8
71.04990	11.8
71.52460	3.0
73.02917	14.1
75.71012	2.2
79.05065	3.6
79.05496	41.2
81.02991	3.6
81.03424	38.4
81.07059	52.5
83.04970	9.0
83.08620	20.0
85.02911	26.3
85.06539	6.5
87.04475	5.3
91.03945	8.2
91.05480	45.7
93.07053	37.7
94.07422	2.5
95.04971	26.6
95.08614	23.7
97.02891	19.5
97.06042	1.9
97.06541	18.0
97.10175	17.9
99.04435	2.9
99.08102	25.9
101.02383	3.5
103.05479	2.4
105.07031	32.6
107.04955	13.9
107.08614	24.3
109.02875	6.5
109.06521	15.6
109.10157	17.4
111.04436	5.5
111.08119	6.1
115.05472	3.6
115.07573	11.6
117.07024	17.9
119.04942	3.0
119.08587	28.7
121.06525	10.2
121.10144	16.2
123.04403	7.6
123.08057	8.6
123.11736	5.8
125.09648	15.4
127.03947	4.9
127.07561	7.2
128.06258	3.5
129.07036	17.9
131.04936	4.5
131.08551	26.0
133.06482	6.4
133.10107	13.7
135.04367	2.9
135.08057	11.0
135.11699	7.3
137.05969	4.0
137.09612	4.8
141.06995	7.1
142.07805	4.8
143.08537	15.3
145.06471	8.9
145.10147	18.3
147.04425	2.8
147.08078	11.6
147.11696	12.3
149.09592	11.2
149.13246	3.8
150.54138	2.4
151.07509	3.2
151.11238	2.7
153.09111	2.5
155.08504	5.4
157.06493	4.2
157.10168	12.2
159.08035	10.3
159.11682	10.4
161.05997	4.5
161.09605	9.9
161.13258	2.7
163.03918	4.3
163.11200	9.5
165.12775	2.5
167.08620	3.3
169.10141	10.1
171.08075	4.6
171.11658	6.7
173.09660	7.1
173.11842	3.3
173.13261	3.6
175.11238	7.2
175.25600	2.0
177.12706	3.4
181.10106	5.6
183.11681	5.4
184.07292	4.7
185.09584	4.0
185.13264	5.3
187.11234	5.2
189.09174	3.4
189.11253	6.0
189.12779	4.0
193.12238	6.5
195.11731	4.5
197.09543	4.7
197.13283	2.5
199.11208	4.6
201.12746	3.2
207.11702	2.6
209.09631	3.9
211.11311	3.3
213.12724	5.3
217.15962	2.4
221.15337	2.8
223.11328	2.5
227.12804	9.0
229.14357	6.7
257.15558	3.1
267.15894	13.0
271.16965	3.3
273.15686	2.3
273.18414	13.5
275.20078	4.0
283.15302	4.7
287.16382	3.5
289.98621	2.0
291.19559	10.2
295.20755	2.8
301.14264	2.4
313.21573	6.2
315.19629	3.2
325.17740	2.2
327.19617	2.6
331.22629	3.0
347.22159	3.3
351.23447	2.3
365.23343	2.7
411.24716	2.7
413.17957	3.3
421.25745	5.3
425.26709	3.6
435.27539	3.1
437.25467	4.5
447.28644	9.8
461.28589	4.6
465.30063	12.6
473.89081	2.9
483.31003	12.3
487.30569	7.8
489.28391	3.0
499.30542	8.5
501.31689	4.5
517.31451	9.7
539.33813	28.2
557.34680	56.9
575.35791	100.0
576.36011	4.0
599.35254	4.0
607.32330	2.5
617.36627	3.0
683.37787	4.8
701.38879	4.3
719.39752	9.3
737.40594	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	736.4771
Annotation	Unknow
Peak:m/z	Relative Intensity
52.97490	0.1
53.03938	0.2
55.01867	0.4
55.05503	1.0
56.05027	0.8
57.03451	0.9
57.07076	2.5
58.06610	0.3
60.08163	6.5
61.02914	0.3
67.05507	2.0
69.07069	1.0
69.51716	1.0
70.06597	0.2
71.04971	0.2
71.07373	3.2
71.08633	2.0
77.41154	0.2
79.05497	1.4
80.43589	0.2
81.03443	0.8
81.07054	2.2
83.04988	0.5
83.08611	0.9
85.02880	0.5
85.06559	0.2
85.10199	1.1
86.09705	31.0
91.05479	1.1
93.07047	1.9
95.04953	0.5
95.08614	2.1
97.02884	0.5
97.06541	0.3
97.10175	0.5
98.97861	0.3
98.98464	3.6
104.10743	2.1
105.07024	0.3
107.04933	0.7
107.08596	0.9
109.10172	1.0
111.04446	0.4
111.08147	0.2
111.11748	0.2
113.05944	0.2
114.97536	0.1
117.07006	0.3
119.08572	0.6
121.06516	0.3
121.10159	1.0
123.08059	0.2
123.11795	0.3
125.00004	21.5
125.06019	0.2
125.09640	0.2
129.06975	0.2
131.08594	0.5
133.10091	0.3
135.11691	0.9
137.13222	0.2
142.47556	0.2
145.10135	0.8
147.08031	0.3
149.09666	0.2
153.12718	0.3
163.11191	1.2
173.09654	0.3
181.12279	0.4
184.07336	100.0
185.07684	0.7
191.10710	0.6
202.04424	0.2
209.11732	1.6
227.12813	0.8
239.23744	0.3
245.13867	0.3
245.56308	0.2
265.14380	0.4
283.15341	2.2
299.14899	0.2
301.16461	4.8
311.26065	0.2
313.27341	7.9
496.34445	0.2
503.37415	0.2
519.82086	0.2
521.38403	2.1
538.38123	0.2
539.39423	5.0
540.40234	0.3
704.44690	0.3
736.47644	9.9
737.48694	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	736.4117
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03959	5.6
54.05476	1.0
55.01870	4.4
55.05519	14.6
56.96575	1.6
57.03442	8.0
57.07071	1.9
59.05003	9.4
60.37510	1.2
61.02922	2.5
65.03939	3.4
66.29738	1.0
67.05508	61.5
69.03429	4.5
69.07066	9.6
71.04990	4.8
71.52165	1.4
71.52537	1.4
72.47727	1.3
73.06567	1.2
74.71266	1.1
79.05498	39.2
81.03426	13.6
81.07058	28.2
82.07387	1.4
83.04989	8.6
83.08627	7.8
85.02915	4.6
85.06555	3.5
86.09712	1.3
87.04477	5.8
91.03989	1.9
91.05484	31.0
93.07047	36.1
94.07389	1.4
95.04979	11.9
95.08611	19.1
97.02928	5.4
97.06536	3.9
97.10183	7.3
99.04456	3.8
105.06374	0.9
105.07034	24.9
107.04989	6.4
107.08596	10.4
109.02911	2.8
109.06541	5.4
109.10163	37.5
111.04445	2.0
111.08075	2.9
115.05418	1.2
117.07033	5.7
118.09684	1.1
119.08585	15.5
121.06534	3.3
121.10146	6.6
123.04414	2.3
123.08074	5.2
125.09673	2.9
127.03900	1.6
129.07021	7.3
130.07784	1.3
131.08585	6.5
133.06544	1.5
133.10158	10.3
135.08049	1.9
135.11655	5.8
137.09633	2.6
141.06987	1.9
143.08548	6.6
145.10144	9.7
147.08057	2.9
147.11693	20.2
149.09695	1.9
149.13284	1.4
155.10663	2.7
159.11716	2.2
161.09622	3.2
161.13297	3.7
163.11197	5.2
171.11700	16.0
173.09599	1.3
173.11749	8.4
177.12830	1.6
184.07474	2.1
189.12801	5.3
191.10794	1.3
193.12279	2.3
199.13293	2.3
207.13823	16.9
225.14799	1.3
227.12766	4.3
228.13124	1.8
229.14362	36.2
241.14574	1.5
267.15948	3.8
274.18814	1.5
281.17480	34.7
282.18024	1.6
283.15366	2.0
284.15775	1.4
291.19788	1.2
315.18091	1.9
355.09988	1.1
405.26434	1.2
425.34006	4.4
435.27454	100.0
436.27859	2.8
503.78342	1.3
539.32080	3.8
556.33051	2.7
574.34717	1.8
736.38293	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	736.4111
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	3.1
54.09353	0.6
55.01868	2.6
55.05269	0.9
55.05515	14.0
56.96566	1.2
57.03438	6.5
58.34178	0.6
59.05006	9.0
60.08443	0.6
61.02917	1.8
65.03941	1.8
67.05508	57.7
69.03432	3.6
69.07083	4.6
71.04989	3.7
72.64450	0.7
73.02931	0.7
73.76318	0.7
79.05496	32.3
81.03422	9.0
81.06588	1.4
81.07065	25.9
82.03769	0.7
82.07395	0.7
83.04986	7.3
83.08622	7.3
85.02903	3.6
85.06533	2.9
86.06919	0.7
87.04472	5.8
91.03961	0.7
91.05482	30.6
91.49962	0.7
93.07051	33.2
94.07352	0.8
95.04977	9.5
95.08617	13.9
97.02914	1.6
97.06524	2.7
97.10173	5.1
99.04456	3.3
105.04543	1.3
105.07037	19.5
107.04960	5.2
107.08597	10.2
109.02883	1.2
109.06528	4.5
109.10160	36.0
111.04453	1.3
111.08088	2.6
113.05973	0.7
117.07037	5.3
119.08586	15.0
120.09002	0.7
121.06518	2.4
121.10157	4.7
123.04427	0.7
123.08071	4.4
125.09641	3.0
127.03946	0.8
128.06242	1.4
129.07018	7.4
130.07677	0.6
131.08574	3.3
133.10155	4.8
135.08093	1.3
135.11710	3.8
137.09613	1.8
143.08572	6.6
145.10132	7.7
147.08054	1.2
147.11696	15.2
149.09613	1.5
155.08490	0.7
155.10658	2.4
159.08023	0.8
159.11696	0.8
161.09647	2.1
161.13303	4.8
163.11211	2.7
171.11696	10.7
173.04398	1.0
173.11774	8.1
181.12192	0.7
184.07399	1.7
187.11327	0.7
189.12776	4.3
191.10712	1.0
199.13316	1.5
207.13834	16.1
209.11700	1.4
211.13225	0.8
223.13332	0.7
225.14883	1.7
227.12811	2.7
229.14365	36.6
241.14232	0.9
259.15421	0.8
267.15991	1.3
281.17496	31.8
282.17728	0.9
291.19662	0.7
309.16931	1.4
315.18097	2.9
423.27505	1.5
435.27457	100.0
436.27838	2.6
471.27426	1.0
489.28247	0.8
539.32117	3.9
555.33618	0.7
620.55499	0.8
736.37494	1.0
737.36365	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	735.431
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	14.7
55.01873	15.3
55.05511	39.9
57.03443	14.7
57.07078	3.5
61.02921	8.0
65.03951	5.8
67.05502	86.9
67.28690	3.2
68.17346	2.5
69.03430	21.1
69.07066	28.1
71.04979	9.7
71.53057	3.6
72.06340	2.9
73.02909	3.7
79.05494	100.0
81.03423	36.4
81.07058	86.4
83.04978	22.2
83.08611	15.5
85.02908	11.4
85.06538	6.5
86.83535	2.7
91.03943	3.6
91.05478	84.0
93.07040	82.5
95.04987	31.3
95.08611	40.3
97.02880	11.5
97.06532	27.3
97.10172	10.1
99.04468	6.4
105.04527	3.7
105.07033	71.6
107.04940	19.2
107.08601	38.6
109.02862	7.0
109.06491	10.5
109.10140	17.8
111.08095	5.7
115.05450	4.2
117.07018	26.4
119.08578	43.9
121.06509	9.0
121.10113	17.4
123.08067	6.8
123.11727	6.1
125.09626	8.0
127.03922	4.3
128.06190	5.8
129.06993	16.9
131.08562	22.3
133.06523	3.3
133.10106	29.5
135.08005	5.8
135.11681	11.4
137.05899	3.0
141.06979	7.9
143.08517	14.6
145.06508	3.4
145.10114	23.8
145.16208	2.9
147.08031	5.1
147.11679	43.3
149.09644	13.8
149.13200	4.3
150.40981	3.1
151.11127	4.2
153.09164	4.0
155.08542	3.9
157.10109	7.1
159.11659	14.1
161.09648	8.3
161.13261	12.1
163.11169	11.2
169.10097	3.6
171.11659	25.2
173.04428	15.0
173.13206	6.8
175.11209	4.0
177.12785	4.7
184.07361	3.5
189.12801	8.2
197.13280	4.4
207.13789	27.1
223.70996	3.0
227.12770	21.9
236.79689	3.1
239.17853	4.3
257.19046	8.5
267.15887	5.4
273.18588	4.4
275.20029	50.7
281.17459	63.3
291.19476	4.6
293.21091	6.5
349.23746	27.1
425.21411	4.2
475.30612	50.4
526.53931	3.7
527.37665	4.6
537.35925	4.3
545.91852	3.1
555.36792	53.2
573.37292	12.1
619.34698	10.4
717.41187	5.0
735.40674	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	734.4687
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00280	2.0
53.03948	0.9
55.01858	2.1
55.05514	11.0
57.03442	10.6
57.07079	24.9
57.07342	1.0
59.04977	1.8
61.02936	3.8
61.94064	0.4
67.05508	11.9
69.03407	1.3
69.07069	6.6
69.98437	0.9
69.98840	1.2
71.01321	1.3
71.04966	0.9
71.08635	19.7
73.02882	2.0
79.05081	0.4
79.05489	5.3
81.03418	3.5
81.07061	19.8
82.51714	0.5
83.05003	2.1
83.08623	14.2
85.02901	3.1
85.06526	0.9
85.10186	10.0
86.09674	1.6
87.04408	0.7
89.05994	1.5
91.03923	1.2
91.05486	11.9
93.06483	0.7
93.07043	10.0
95.04957	2.7
95.08612	14.0
97.02892	5.7
97.06532	2.8
97.10175	3.6
98.21472	0.6
99.00817	14.0
99.04407	0.5
99.08086	0.7
99.11661	1.1
103.05460	1.0
103.07552	0.9
105.04535	0.4
105.07034	10.4
107.04962	5.3
107.08004	0.5
107.08604	5.3
109.02887	8.2
109.06480	1.8
109.09480	0.6
109.10160	9.0
111.04424	0.8
111.08095	2.5
111.11699	0.6
115.03924	1.8
117.06998	2.5
117.09045	0.6
119.08582	5.4
121.05777	0.5
121.06499	5.4
123.04362	1.6
123.08031	1.1
123.11689	4.5
124.99967	1.2
125.09574	0.6
127.03883	2.0
127.04770	0.4
128.06177	0.8
129.06992	0.9
131.08572	1.0
133.06464	1.7
133.10135	28.2
135.08026	0.9
135.11655	1.0
137.05937	1.0
137.09636	1.2
137.13251	1.0
139.03847	0.5
139.07567	2.3
143.08588	3.7
145.04857	0.5
145.06485	0.7
147.08046	0.9
151.11183	10.0
151.14807	0.6
153.06969	0.5
161.09627	15.0
163.11198	0.6
165.09052	0.7
171.08029	2.9
179.10672	7.9
184.07349	6.3
189.09117	7.4
197.11800	2.9
207.10167	3.0
209.19141	0.4
225.11203	7.4
239.23721	1.5
243.12294	2.4
257.24640	2.0
281.13806	4.4
299.14899	100.0
300.15219	1.7
313.27374	86.5
314.27625	1.3
514.42572	0.5
537.37885	57.0
538.38055	1.6
563.35394	1.1
564.35730	2.1
734.48651	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	734.4321
Annotation	Unknow
Peak:m/z	Relative Intensity
51.59026	0.6
53.00323	0.6
53.03946	2.6
55.01870	5.8
55.05510	16.9
57.03437	9.7
57.07079	2.0
58.43121	0.6
59.05005	3.8
61.02931	4.9
65.03934	3.2
66.37211	0.6
67.05504	100.0
68.05045	1.2
69.03439	4.9
69.07069	30.3
69.63733	3.7
71.01360	1.4
71.04987	4.9
71.08640	0.8
73.02921	1.6
77.03946	0.6
79.05493	20.6
79.77773	0.6
81.03417	9.0
81.07056	33.1
83.04979	4.1
83.08621	10.0
83.09109	0.7
85.02908	4.7
85.06553	4.3
87.04451	0.6
91.03948	2.0
91.05479	26.5
93.07047	24.0
93.07640	1.2
95.04971	7.0
95.08611	24.4
97.02899	5.3
97.06534	7.5
97.10152	4.3
99.04456	1.1
99.08101	1.5
103.03939	0.8
103.05459	0.8
105.04502	1.0
105.07040	16.1
107.04953	4.5
107.08599	12.4
109.02914	0.8
109.06525	3.1
109.10156	77.2
110.10508	1.1
111.04443	1.0
111.08084	5.7
113.09692	0.7
117.07019	5.1
119.04993	0.8
119.08579	18.7
121.06481	2.4
121.10152	5.9
123.08099	2.7
123.11672	1.2
125.00018	0.6
125.09653	4.5
127.03912	3.1
129.05489	1.8
129.06989	3.0
130.07776	0.7
131.08578	8.4
133.06503	1.0
133.10124	9.7
135.08060	2.3
135.11720	5.1
137.09605	10.8
139.11281	0.8
141.06993	0.8
143.08549	2.8
145.06444	0.7
145.10135	6.2
147.08029	1.5
147.11687	6.1
149.09624	12.3
149.13266	1.9
151.11125	1.5
154.24608	0.6
155.08566	1.4
155.10637	6.4
157.08615	0.7
157.10086	2.5
159.11684	4.9
161.09615	1.9
161.13248	3.9
163.11177	4.2
165.09116	1.0
165.12724	0.7
169.10117	1.1
171.10292	0.6
171.11674	1.5
173.04431	1.2
173.11752	23.1
173.13208	2.5
175.11159	1.3
177.12726	1.9
179.14319	3.2
183.11635	1.1
184.07303	1.1
184.13458	0.7
185.13310	0.9
187.11070	1.3
187.14670	0.8
189.11220	2.4
193.12250	0.8
197.13342	1.1
199.13219	1.1
209.11711	0.5
211.13242	0.7
213.16473	0.7
223.13266	1.8
227.12743	3.2
229.14354	50.7
233.15392	0.8
239.17923	1.3
247.20476	1.1
253.14052	0.7
257.19000	3.4
263.19925	0.7
267.15717	1.1
273.18408	2.3
275.20041	14.1
275.23001	0.5
277.21420	0.6
285.17072	0.6
291.19534	4.4
293.21042	2.4
299.14771	1.1
325.20126	5.2
349.23727	21.2
365.23105	1.6
373.18591	0.6
383.19522	1.1
383.24268	18.1
397.25803	1.7
407.27814	4.0
409.25693	1.5
410.32855	0.7
423.27097	1.9
489.35516	2.1
503.33670	26.2
504.33450	0.8
521.34729	4.6
527.28168	0.7
543.36816	2.9
593.39752	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	732.5468
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00324	1.5
54.41935	1.7
55.05509	5.4
56.35542	1.5
56.99905	1.5
57.07081	95.3
58.17399	1.3
59.05004	31.5
60.08167	1.8
65.30280	1.6
67.05531	2.9
69.03444	2.0
69.07066	1.9
69.50688	3.4
69.51099	7.6
71.08636	100.0
72.03201	2.0
73.06564	2.4
78.48441	1.5
79.05493	2.1
81.07050	2.9
83.08621	4.6
85.09657	3.7
85.10188	94.8
86.09700	6.7
87.04485	15.1
89.06039	96.2
91.05484	2.2
97.10178	1.8
99.11737	7.9
101.09666	2.5
105.07045	2.0
107.07097	2.5
109.10145	2.4
110.72951	1.6
111.11732	1.9
111.29973	1.7
117.09147	7.2
125.00027	4.5
130.08618	2.9
131.07039	6.7
133.08615	81.4
141.16379	9.7
158.32552	1.5
166.24252	1.6
175.09689	5.0
177.11244	32.9
184.07381	21.9
185.35992	1.5
199.20576	23.6
207.38791	2.0
219.12314	2.3
221.13890	5.4
239.14954	1.8
240.23311	2.0
257.24805	11.8
265.16385	1.9
276.92114	1.7
283.17587	2.7
299.14948	2.3
311.25809	2.4
459.28064	17.2
469.10385	1.8
535.36694	3.4
631.89026	1.9
732.55139	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	732.547
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05522	4.6
57.03434	2.0
57.07078	71.5
59.05005	13.1
66.36201	0.8
67.05502	4.6
69.07073	4.6
71.08635	48.9
71.52605	1.0
73.02940	1.4
73.06568	4.9
75.14587	1.1
79.05486	3.1
81.07049	4.0
83.08617	4.5
85.10187	35.9
86.09700	4.7
87.04474	15.4
89.06036	100.0
91.05493	2.6
93.07043	3.7
95.04950	1.6
95.08616	2.7
96.99004	1.3
97.10172	2.7
99.00843	2.6
99.11723	5.6
103.07590	7.0
105.07038	2.6
107.07056	1.7
107.08589	2.8
109.10149	2.8
113.06002	1.0
113.13264	1.6
117.09135	3.9
119.08625	1.3
121.10175	1.8
125.00020	2.9
130.08653	3.3
131.07013	5.3
133.08609	77.0
133.10185	3.9
135.11696	2.0
136.17007	0.9
143.08572	1.3
147.81314	0.9
151.11157	0.9
155.17953	3.6
161.09581	2.2
161.11755	1.6
175.09680	6.3
177.11244	31.2
179.10670	1.6
184.07347	15.1
189.09207	1.5
213.22131	3.9
219.12379	1.9
221.13797	7.0
225.11316	1.8
237.13301	1.1
239.15001	1.4
257.24802	5.9
265.16443	1.3
283.17578	1.7
299.14880	20.6
309.19067	1.7
311.25812	14.4
327.20123	1.7
339.56317	1.0
353.21780	2.0
459.27917	2.6
503.30588	10.0
535.36279	10.5
543.33807	2.2
547.32855	1.2
548.04260	1.0
595.60315	1.0
715.52319	2.0
732.55499	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	732.4808
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05009	0.9
57.07033	0.3
58.06594	0.5
59.07366	0.3
60.08162	6.3
67.05487	0.7
69.07036	0.3
71.07053	0.3
71.07373	3.6
71.53544	0.5
73.90997	0.3
79.05470	0.3
81.07046	0.8
86.09705	31.5
87.26826	0.3
89.05997	0.5
91.05475	0.6
93.06999	0.4
95.08572	0.8
98.98464	3.0
99.24065	0.3
104.10735	3.1
109.97536	0.3
117.07076	0.5
119.08575	0.4
121.10146	0.5
125.00005	21.0
133.08543	0.3
145.10152	0.3
152.74707	0.3
161.56703	0.3
184.07338	100.0
185.07724	0.6
215.40565	0.3
216.85089	0.3
225.92203	0.3
427.36411	0.3
433.06104	0.3
509.88773	0.3
526.96503	0.3
732.48108	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	731.1791
Annotation	Unknow
Peak:m/z	Relative Intensity
58.89925	0.2
60.95855	0.3
70.96571	0.4
72.99772	0.2
89.03922	0.9
104.79446	0.2
105.62381	0.2
107.04935	0.2
115.06233	0.2
117.03395	0.9
135.04424	1.7
145.02855	1.2
146.03217	0.3
146.06194	0.2
146.99342	0.3
157.54590	0.2
163.03918	8.8
164.04271	1.3
165.04376	0.3
179.03146	0.6
185.02113	1.2
197.04327	1.4
210.01526	0.2
215.05266	3.5
220.84985	0.2
221.02914	0.4
235.01074	0.2
259.01120	0.5
277.02164	0.3
331.07932	0.3
359.07373	1.0
375.57675	0.4
376.07382	0.8
376.57346	0.7
377.08426	100.0
378.08740	2.0
381.44330	0.2
384.38272	0.2
424.23157	0.2
548.33624	0.2
589.09869	0.3
731.16919	0.2
751.14001	0.3
752.13354	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	731.3823
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	0.8
55.01868	0.3
55.05505	0.8
56.03891	0.3
56.96565	0.3
57.03434	1.5
59.04996	0.9
61.02927	3.6
61.35973	0.3
67.05510	4.6
69.03432	2.9
69.07069	0.4
71.04995	3.7
73.02924	2.6
74.55993	0.3
79.05494	2.3
81.03417	3.4
81.07067	2.2
83.04990	0.5
83.08634	0.7
85.02914	4.3
85.06570	0.6
87.04475	0.5
88.15473	0.3
88.43157	0.2
91.03963	2.5
91.05488	2.6
93.07040	2.9
95.04974	1.0
95.08585	1.3
97.02897	3.6
97.06541	0.9
99.04464	0.7
101.02386	1.8
103.03974	0.7
105.07024	1.6
106.50939	0.3
107.04960	0.6
107.08580	1.6
109.02901	0.7
109.06524	0.5
109.10175	3.6
111.08080	0.4
117.07031	0.5
119.08588	2.1
121.06519	0.5
121.10179	1.4
123.04443	0.5
127.03938	1.0
129.06964	0.5
131.08589	1.1
133.10182	1.1
134.68570	0.3
135.11703	1.5
137.09599	1.6
145.05034	0.4
145.10147	0.8
147.11740	1.1
149.09624	1.5
157.10130	0.6
163.03786	0.3
163.11230	0.5
165.12840	0.3
173.11690	0.5
175.11195	0.5
185.04286	0.5
187.13371	0.3
193.12277	1.4
201.05681	0.3
203.05229	0.5
211.13414	0.3
225.14970	0.6
229.14435	0.6
233.11430	0.3
236.89354	0.3
238.06578	0.3
243.08437	2.4
243.13820	0.3
243.16084	0.8
249.15028	0.4
253.14166	1.6
267.15970	0.8
282.64468	0.3
283.12308	0.3
283.15158	4.0
287.18839	0.5
309.16809	0.3
339.17923	0.7
367.87491	0.3
377.11362	0.3
413.18066	0.6
439.19659	0.4
441.21176	0.4
455.18842	0.8
469.20663	0.6
471.22046	9.7
501.23123	11.8
569.32996	0.4
627.29816	5.9
641.31537	0.7
699.35974	0.3
731.38263	100.0
732.38593	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	729.3663
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.7
55.05504	0.9
57.03441	1.7
57.95796	0.3
59.04999	0.5
61.02649	0.3
61.02933	3.5
61.39822	0.3
67.05501	2.6
69.03434	2.4
69.07062	0.6
69.78310	1.7
71.05009	1.4
72.60532	0.3
73.02924	2.7
79.05504	2.4
83.04992	1.1
83.08631	1.6
85.02911	5.0
85.06522	0.4
87.04491	0.6
91.03958	2.9
91.05488	4.2
93.07040	2.4
95.04960	2.0
95.08629	1.3
97.02892	3.5
97.06554	0.6
97.10172	0.3
99.04478	0.5
101.02380	2.0
102.04088	0.3
105.07023	1.9
107.04976	0.5
107.08608	1.3
109.02882	0.5
109.06541	0.7
109.10184	1.0
111.08085	0.6
119.08569	1.7
121.06525	0.4
121.10140	2.1
123.04439	0.4
127.03941	1.3
129.05565	0.3
129.07025	1.1
131.08580	1.5
133.10138	1.6
145.04916	0.3
145.10117	0.6
147.11716	1.8
149.09630	1.6
157.10152	1.2
157.60992	0.4
163.03920	0.6
163.11218	0.4
175.11201	1.5
185.04271	0.5
193.12230	2.5
203.05360	0.4
211.13382	1.1
225.14946	0.5
237.74330	0.4
243.08452	2.5
251.12605	1.3
267.15930	0.7
283.15253	3.4
301.08990	0.4
307.15359	0.5
339.18039	0.7
463.31696	0.4
465.20300	0.3
469.20471	8.9
501.23117	10.1
567.31805	0.7
657.31018	0.8
683.33575	0.4
711.31787	0.6
729.36688	100.0
730.37158	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	728.4582
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	2.3
53.87545	1.0
54.08895	1.0
55.01865	4.2
55.05515	8.0
57.03442	7.0
57.07061	2.6
65.03922	1.9
66.69335	1.0
67.05506	40.5
68.49226	1.0
69.03427	1.6
69.07076	9.4
71.04983	4.0
73.02914	1.4
78.40734	0.9
79.05075	1.5
79.05501	20.4
81.03408	4.2
81.06591	2.0
81.07063	39.8
83.04968	4.5
83.08611	4.9
85.02894	2.0
85.06540	2.5
85.10152	1.3
86.09705	2.0
91.05487	27.2
93.07053	21.6
95.04989	6.1
95.08609	17.7
97.02893	1.8
97.06547	1.5
99.04468	2.4
105.07037	23.8
107.08607	23.3
109.06532	2.8
109.10162	43.4
111.07944	1.1
113.05900	1.2
117.07024	3.5
119.08562	4.7
121.06492	1.5
121.10147	6.5
123.08090	1.6
123.11703	8.2
131.08545	4.4
133.10138	41.9
135.11696	5.6
143.08478	1.4
145.10095	2.0
147.11708	2.3
149.13266	2.4
151.11192	20.0
159.11707	2.0
161.09688	1.8
161.13261	1.2
169.12228	4.3
171.30006	1.0
173.13283	2.7
184.07346	3.0
201.76683	1.0
215.12749	1.4
243.21092	1.7
253.14368	100.0
261.22147	8.9
271.15448	25.3
315.22784	1.2
320.26553	1.4
335.25821	51.5
457.33072	1.4
503.36945	1.7
513.35864	7.4
531.36853	53.8
532.37384	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	727.3512
Annotation	Unknow
Peak:m/z	Relative Intensity
52.51610	0.3
53.03947	0.4
55.01865	0.5
55.05505	1.2
57.03432	1.4
59.05001	1.1
61.02931	3.2
67.05505	3.8
69.03430	2.2
69.07070	0.6
70.76312	0.8
71.01361	0.5
71.04996	1.4
73.02926	2.3
79.05498	3.5
81.03423	5.1
81.07063	2.7
81.77442	0.3
83.04995	0.8
83.08617	1.2
85.02910	3.3
85.06560	0.5
87.04443	0.8
91.03954	1.7
91.05476	2.7
93.07049	3.6
95.04975	1.7
95.08617	3.0
97.02888	3.3
97.06528	0.8
98.20828	0.3
99.04472	0.6
101.02396	0.9
105.07025	1.9
107.04987	0.9
107.08595	2.4
109.02891	0.7
109.06520	0.8
109.10187	1.1
111.04451	0.4
111.08090	0.7
117.07020	0.8
119.08594	1.9
121.06512	0.5
121.10161	2.1
123.04462	0.3
123.08076	0.3
127.03946	0.9
129.07007	0.7
131.08594	1.4
133.10135	1.0
135.11722	2.3
145.04942	0.5
145.10147	1.4
147.11714	1.2
149.09674	1.4
157.10107	0.7
158.04182	0.3
163.03889	0.6
163.11176	3.6
175.11246	0.9
181.12305	0.6
186.01237	0.3
191.07170	0.4
193.12230	1.7
194.81416	0.4
197.15486	0.4
225.14951	0.6
227.12749	2.9
243.08447	2.8
249.10997	7.5
267.15997	1.1
283.15173	2.8
305.13556	1.9
339.17996	0.7
447.27780	0.8
448.27979	2.2
467.18918	12.2
469.20367	0.5
501.23102	16.2
502.23163	0.4
545.47455	0.3
565.30298	0.8
727.35107	100.0
728.35504	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	727.3173
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02389	0.5
55.01883	0.6
55.05515	1.2
59.07408	0.4
61.02909	0.4
65.03944	6.5
65.94930	0.5
67.05508	2.7
69.03435	2.9
69.07072	1.0
70.06601	0.7
71.04993	0.6
71.52894	0.6
73.06546	0.8
75.50462	0.4
76.60211	0.4
77.03912	0.9
79.05515	1.0
81.03428	1.9
81.07060	1.6
83.04988	1.4
83.08622	0.5
85.02918	1.4
91.05490	14.1
93.03419	5.9
93.07032	2.5
95.04980	1.8
95.08628	1.8
97.02896	100.0
97.06548	1.4
98.03221	1.4
99.08105	1.2
103.05450	0.8
105.07032	1.7
107.04967	1.3
107.08607	4.6
109.06509	1.5
109.10152	1.7
111.04439	1.0
111.08089	0.8
115.05459	1.4
116.06255	0.5
117.07011	0.9
119.04951	24.9
119.08607	1.3
121.02860	2.8
121.06520	1.0
121.10124	3.0
123.04438	2.1
123.08058	0.9
123.11737	0.6
125.02353	1.6
125.06059	0.4
125.09632	4.6
129.07007	1.3
130.77324	0.4
131.04939	1.1
131.08582	2.9
132.00522	0.4
132.02145	0.4
133.06509	0.5
133.10121	1.5
135.04439	0.6
135.08116	1.0
135.11751	1.0
137.05959	0.6
139.03906	1.7
139.11205	0.6
140.04695	2.3
141.06998	2.4
144.05710	2.5
145.02811	0.7
145.06483	0.8
145.10127	1.0
147.04422	19.5
147.08003	0.6
147.11722	1.1
148.04750	0.6
149.01176	0.6
149.02353	10.4
149.09624	10.1
149.13240	1.3
151.11174	1.6
153.05499	1.0
153.09148	1.7
154.06287	2.3
155.07040	2.8
157.03999	2.7
157.06471	0.7
159.08078	3.2
161.06032	0.6
163.03889	2.2
163.07631	0.5
163.14857	2.0
164.04555	0.8
167.03415	52.0
168.05795	0.6
169.06461	2.2
173.05957	0.6
173.13263	1.2
175.03917	39.8
176.04292	0.9
177.05502	0.8
179.07097	2.2
181.04962	2.9
181.06274	0.5
183.04469	0.8
184.07288	0.9
185.05992	0.6
186.06808	0.5
187.07524	5.6
191.14346	4.9
191.30701	0.4
192.04047	0.6
197.05972	1.8
199.07614	0.7
201.09158	0.4
207.06540	90.3
208.06902	1.8
209.15381	16.5
209.17361	0.9
215.07080	3.2
216.41110	0.4
217.08649	0.4
218.09383	1.9
219.06671	2.9
219.10121	4.1
225.05391	0.8
227.16434	2.0
229.08601	7.1
229.75043	0.5
243.06520	1.9
244.07298	0.7
247.09657	4.7
257.08112	5.0
259.09595	0.6
268.16235	0.5
275.09155	19.1
276.09476	0.6
285.03870	0.5
285.07639	1.0
303.05075	1.1
303.08630	5.4
321.09705	29.9
322.10095	0.8
339.10803	9.2
359.45352	0.4
369.11694	1.0
476.27222	0.7
477.28006	0.5
727.41608	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	725.4445
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	1.1
57.03432	1.8
57.07072	2.6
61.02929	3.1
67.05515	1.5
68.55581	0.4
69.03432	2.2
69.07051	1.0
69.92910	1.3
71.08636	2.3
73.02920	2.8
75.91280	0.4
79.05496	1.1
81.03413	3.7
81.07056	1.9
83.05008	0.5
83.08629	2.3
84.45617	0.4
85.02918	5.1
85.10188	1.2
91.03947	2.3
91.05478	1.2
93.07048	1.0
95.04980	1.3
95.08600	2.4
96.90668	0.4
97.02902	3.2
97.10175	0.7
99.04458	0.8
101.02392	1.5
107.08657	0.6
109.02893	0.7
109.10187	0.9
115.16361	0.4
119.08589	1.4
125.00008	0.7
127.03932	1.1
131.08595	0.5
133.10135	0.5
134.09711	0.6
147.11700	0.8
160.11189	2.6
161.11526	0.9
175.11215	1.0
185.04364	0.7
193.12273	2.8
203.05338	0.5
211.13365	1.5
222.87665	0.4
224.39661	0.4
225.78540	0.5
231.53696	0.4
243.08498	1.9
251.12561	3.9
258.08990	3.0
259.09241	1.1
307.15244	1.0
313.27643	1.0
469.20490	10.3
497.30890	5.5
725.44421	100.0
726.44897	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	725.4448
Annotation	Trungapeptin B
Peak:m/z	Relative Intensity
53.03961	0.5
55.01854	0.6
55.05513	1.2
56.02039	0.5
57.03429	1.7
57.07074	2.1
58.88473	0.7
60.87974	0.5
61.02941	3.8
67.05510	4.5
69.03438	2.5
69.07079	2.1
71.05002	1.0
71.08638	2.4
73.02908	3.1
79.05503	2.4
81.03398	3.3
81.07067	5.0
83.05010	1.0
83.08624	1.7
85.02915	4.7
85.10154	0.8
88.22610	0.6
91.03977	3.7
91.05496	2.5
93.07055	2.5
95.04965	1.4
95.08603	3.7
97.02901	3.6
97.06554	0.6
98.20724	1.5
99.04445	0.9
101.02407	1.5
105.07034	1.9
107.08617	1.4
109.02887	0.6
109.10164	2.8
111.08109	0.8
119.08607	1.1
121.10157	1.4
123.11732	0.7
127.03919	1.6
131.08585	1.0
131.32481	0.5
133.10165	1.3
135.11580	0.6
137.13348	0.6
147.11674	0.7
147.81223	0.6
157.10199	1.4
169.10347	0.6
185.04146	0.7
211.13258	0.8
211.85687	0.6
243.08508	2.6
251.12630	1.4
253.14326	1.0
269.17587	1.5
313.27417	1.5
326.10312	0.5
335.25851	1.4
358.36578	0.7
469.20477	7.4
471.22144	1.2
474.84552	0.6
495.29276	1.0
497.30798	3.7
529.38666	3.3
550.54211	0.7
725.44446	100.0
726.45013	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	726.4269
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.7
55.01865	1.5
55.05511	4.2
55.71858	0.3
57.03442	4.4
59.04992	1.5
61.02918	1.0
65.03919	0.7
67.05508	25.2
69.03415	1.2
69.07076	3.1
69.72031	2.0
70.47992	0.4
71.04997	7.6
73.02893	0.5
79.05070	0.6
79.05495	8.5
79.63696	0.4
81.03421	13.8
81.07056	10.3
83.04988	2.6
83.08616	6.1
85.02900	0.8
85.06547	0.8
87.04472	1.3
89.98146	0.3
91.05490	8.5
93.07047	8.1
95.04971	8.7
95.08610	5.9
97.02880	1.4
97.06557	2.2
97.10172	2.6
98.20804	0.4
99.08105	0.7
105.07030	4.6
107.04963	6.3
107.08591	5.8
109.06523	4.8
109.10162	18.7
110.10501	0.5
111.04436	0.4
111.08068	2.2
117.07034	2.7
119.04932	0.4
119.08579	6.8
119.09369	0.6
121.06502	4.9
121.10137	3.4
123.04434	0.8
123.08080	1.6
123.11690	0.5
125.09631	3.0
127.03972	0.4
129.05495	0.6
129.07034	2.9
131.04947	0.8
131.08591	4.6
133.06488	1.5
133.10126	4.6
135.08035	2.7
135.11691	3.7
137.09633	3.6
139.11172	0.5
143.08578	1.4
145.06494	1.3
145.10092	3.3
147.08066	1.5
147.11617	2.2
149.09624	1.7
151.11200	1.3
155.08574	0.6
155.10672	0.9
157.06511	0.5
157.10161	2.3
159.08087	0.6
159.11729	1.3
161.09610	1.1
163.04010	0.6
163.11197	2.5
165.12868	0.5
167.08479	0.5
167.10762	0.7
169.10143	0.7
169.12231	0.6
171.08041	0.5
171.10188	0.5
171.11676	1.0
173.09624	0.7
173.11740	2.4
173.13271	1.6
175.11243	2.1
177.12732	0.4
181.12308	0.8
183.11688	0.7
185.09731	0.4
185.13272	1.3
187.11206	1.0
189.11205	1.2
191.14346	1.6
193.12236	3.3
195.11774	0.7
199.11243	0.5
201.12781	0.6
203.10641	0.7
203.14322	0.9
205.12294	1.0
207.13747	0.8
211.13284	0.5
213.12907	0.4
215.14771	0.4
217.12523	0.4
219.13745	2.8
221.15375	0.6
223.13239	0.7
225.12866	0.6
227.12639	0.8
229.14294	2.7
231.13860	0.6
237.14821	0.5
243.15965	1.3
249.14893	1.5
253.14372	6.6
255.15903	1.4
259.16776	0.4
267.15945	6.8
271.15289	0.9
275.16367	0.6
287.18613	3.0
295.15289	0.4
301.21664	0.8
311.20062	1.2
314.25751	0.4
329.21143	4.1
337.21588	0.8
355.22821	2.2
357.24353	0.5
373.23657	0.4
387.60959	0.4
393.24298	0.5
403.24716	2.9
411.25323	0.8
421.25867	12.9
425.25378	3.5
429.26346	7.0
429.31586	0.7
443.27682	0.5
447.27435	100.0
448.27753	2.5
461.28949	1.6
465.87546	0.5
479.30081	4.3
489.28485	0.5
490.71439	0.5
491.24475	0.4
555.29333	0.5
564.31689	0.7
573.30310	0.6
575.31982	0.5
587.32452	0.5
591.31689	1.0
605.33331	0.9
623.34369	0.6
726.34113	1.7
727.34491	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	725.3716
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	0.9
54.47229	0.3
55.01862	0.8
55.05513	1.8
56.95175	0.3
57.03434	1.5
58.14980	0.3
59.04995	0.8
61.02925	4.0
61.95918	0.3
65.03937	0.3
67.05506	5.2
67.05837	0.5
68.05836	0.4
69.03435	3.0
69.07074	1.6
70.52303	0.3
70.52641	0.9
71.04989	1.6
73.02917	3.0
76.31534	0.4
79.05489	4.2
81.03424	4.1
81.07053	5.0
83.04997	1.0
83.08625	1.5
85.02911	3.7
85.06561	0.7
87.04472	0.7
91.03963	2.1
91.05479	4.1
93.07044	4.5
95.04966	2.6
95.08610	2.2
97.02901	3.6
97.06545	1.2
97.10172	0.5
97.54635	0.3
99.04478	0.9
101.02393	1.0
103.03957	0.5
105.07034	2.5
107.04967	0.9
107.08584	2.0
107.68745	0.3
109.02901	0.8
109.06531	0.4
109.09545	0.3
109.10178	1.4
110.10517	0.3
110.37510	0.3
111.08116	0.7
117.07018	0.7
119.08566	2.7
121.06506	0.3
121.10135	1.7
123.08081	0.4
123.11733	0.7
125.09647	0.4
127.03928	1.0
129.07025	0.9
130.28221	0.3
131.08586	1.2
133.10121	2.0
135.11705	0.5
143.08582	0.4
145.10156	0.5
147.08025	0.5
147.11696	2.5
149.09634	2.0
149.13261	0.4
151.11319	0.3
157.10188	0.8
161.13309	0.4
165.09113	0.5
168.17043	0.3
171.11720	1.2
175.11261	0.7
184.07326	0.4
185.04301	0.3
189.12825	0.5
190.34688	0.3
193.12308	1.4
197.15439	0.4
203.05235	0.3
207.13824	0.6
225.14931	0.7
229.14441	1.0
243.08467	2.5
247.13170	1.2
267.16043	0.9
269.17599	1.0
270.17871	0.6
283.15222	3.1
303.15552	0.4
339.17838	0.9
424.27957	1.6
465.20956	9.6
469.20456	0.5
501.23056	11.9
563.31384	0.4
725.37183	100.0
726.37378	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	724.476
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05517	0.3
56.05040	0.6
57.07078	0.2
58.06636	0.5
60.08166	5.6
62.18533	0.1
67.05498	0.6
69.03444	0.1
69.07075	0.2
70.06600	0.1
71.07375	3.0
71.36422	0.1
71.52459	0.1
79.05495	0.5
81.03416	0.3
81.07053	0.5
86.09707	28.5
87.10043	0.3
91.05480	0.3
93.07034	0.3
95.04986	0.2
95.08608	0.3
98.98469	2.6
102.42873	0.1
104.10744	2.3
105.07051	0.2
107.08572	0.3
109.10157	0.2
121.06517	0.2
121.10165	0.3
125.00008	18.6
137.41843	0.1
139.53532	0.1
143.01067	0.2
149.09660	0.1
175.11279	0.1
184.07344	100.0
185.07689	1.0
186.07793	0.5
246.56247	0.1
390.23038	0.1
688.45465	9.2
689.45044	0.3
724.48053	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	725.3374
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	2.3
55.05512	8.3
56.05845	0.8
57.03437	4.9
57.07072	0.8
58.03757	0.8
61.02921	1.4
65.03937	4.9
67.05506	15.1
68.05832	1.7
68.66273	0.5
69.03416	3.5
69.07059	6.0
69.86898	2.5
71.01357	0.7
71.04983	2.3
72.08148	0.6
73.02901	0.9
75.78745	0.5
79.05494	9.3
80.05812	1.8
81.03417	19.6
81.07054	11.3
82.03767	3.4
82.07395	1.6
83.04987	6.1
83.08617	8.9
84.05312	0.6
84.08958	1.1
85.02899	5.2
85.06557	1.5
86.03259	0.7
91.03938	0.8
91.05478	7.8
91.52025	0.5
92.05805	1.3
93.03410	3.8
93.07041	7.2
94.07408	1.2
95.04966	7.4
95.08608	9.8
95.09177	0.9
96.05293	1.6
96.08987	0.6
97.02889	86.3
97.06522	2.3
97.10149	3.2
98.03220	1.0
98.10497	0.8
99.08090	1.4
103.05419	0.6
105.07032	6.5
106.07397	0.9
107.04962	3.8
107.08592	7.0
108.08924	1.3
109.06506	3.5
109.10153	22.4
110.10489	1.0
111.04432	2.1
111.08095	3.8
117.07038	1.3
119.04990	1.4
119.08585	10.0
120.08912	1.8
121.02840	1.9
121.06516	1.7
121.10141	5.6
122.10509	1.1
123.04407	1.3
123.08056	3.1
123.11740	1.9
125.02338	0.9
125.09662	2.6
126.09995	0.9
129.05431	0.8
129.06999	2.2
130.04150	0.8
130.07324	0.7
131.04942	1.0
131.08598	2.6
132.08910	1.1
132.76552	0.5
133.06480	1.2
133.10135	5.6
134.10521	0.6
135.04402	1.5
135.07950	0.5
135.11691	18.9
135.12729	1.1
136.11977	0.7
137.05972	0.7
137.09593	3.2
139.03885	0.9
142.07848	0.6
143.08591	0.6
145.02876	0.6
145.06473	0.8
145.10120	2.2
146.10423	0.8
147.04410	3.9
147.08063	1.4
147.11690	2.3
148.12036	1.0
149.02330	6.8
149.05963	0.8
149.09688	2.6
149.13268	1.4
151.11176	1.6
151.14809	2.4
153.05455	1.9
153.12802	1.2
154.06215	3.3
157.10147	3.4
158.10396	0.9
159.08026	0.7
161.05898	1.7
162.06758	5.4
163.03899	4.0
163.07588	1.3
163.11197	3.0
164.11464	1.0
165.12796	0.7
165.16422	0.6
167.03404	34.0
168.07829	3.9
169.06404	0.6
169.08638	3.1
171.10260	0.6
171.81773	0.6
173.09656	1.2
173.11650	1.4
175.02550	0.6
175.03864	2.7
175.11246	3.0
175.14819	6.8
176.04794	1.0
176.11499	0.8
177.05510	2.2
178.06242	5.2
179.06966	0.5
181.12254	1.0
184.07318	0.9
187.07536	1.0
188.04691	0.5
189.05460	1.7
189.11252	0.6
190.06239	19.0
191.03384	4.8
191.07021	2.2
191.10791	1.0
193.08617	11.3
193.12248	6.9
193.15868	10.2
194.12538	2.8
195.06490	2.9
198.10167	0.6
199.07610	0.5
201.09204	0.8
202.09871	3.8
203.06993	0.7
205.04971	0.7
205.08504	0.8
206.05757	5.9
209.11717	1.7
210.12097	0.7
211.13495	3.8
211.16924	21.0
212.08310	1.3
212.13680	1.5
213.05391	1.1
217.08621	0.9
218.09409	1.1
221.08086	100.0
222.08456	1.5
227.12770	2.0
228.07895	1.0
228.13158	0.9
229.08536	1.1
229.14354	4.2
230.09245	0.9
230.14622	1.2
232.10916	0.7
233.08173	3.4
233.11716	4.7
239.06953	0.7
242.14801	0.6
243.06419	0.7
243.10214	5.7
256.07385	1.0
257.08099	0.7
258.08920	1.7
261.11130	3.1
267.15930	8.1
268.16223	5.0
269.17166	0.7
271.09586	4.2
283.15387	2.2
284.15723	0.8
285.16800	3.4
286.17361	2.3
289.10718	17.8
301.16434	1.5
302.16766	0.9
317.10205	8.5
335.11209	23.6
353.12372	6.8
366.23465	0.7
367.22256	0.5
368.22925	1.3
385.23746	1.4
386.23950	2.0
403.24408	0.8
404.25583	0.6
437.25305	0.9
438.25714	1.6
442.26999	0.6
459.27277	6.7
460.27795	15.1
477.27939	7.2
478.28802	20.3
510.27847	1.8
528.28790	2.3
725.34491	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	724.4112
Annotation	Unknow
Peak:m/z	Relative Intensity
53.90693	0.6
54.82012	0.6
55.01853	2.6
55.05514	10.9
57.03444	11.2
59.04984	0.9
59.23884	0.7
61.02926	1.1
65.03916	1.1
66.20138	0.6
67.05508	19.5
69.03431	4.8
69.07064	5.8
71.04987	3.5
77.03930	0.7
79.05497	18.8
81.03421	72.7
81.07060	19.3
83.04502	0.6
83.04980	9.8
83.08623	20.4
85.02437	0.8
85.02908	11.6
85.06516	1.0
87.04472	0.7
91.05486	23.7
93.07050	12.5
95.04383	1.5
95.04974	25.8
95.08617	7.4
97.02898	3.6
97.06521	2.5
97.10175	6.1
103.05479	1.0
105.07037	16.6
107.04939	7.1
107.08595	8.2
109.02850	0.8
109.06541	3.8
109.10170	5.5
111.04422	2.3
111.08087	9.3
113.05972	1.4
115.05431	1.6
116.06165	0.7
117.07075	3.3
119.04990	0.9
119.08582	17.2
121.06508	3.8
121.10146	8.1
123.04469	0.7
123.08044	2.8
125.09628	4.2
129.07001	10.8
131.04932	1.5
131.08585	9.4
133.06532	4.3
133.10136	8.9
135.08032	1.9
135.11714	1.8
136.59608	0.8
137.09641	2.0
137.90868	0.6
142.07776	3.1
143.08580	1.9
145.06493	3.9
145.10088	2.9
147.08083	3.5
147.11699	11.7
149.09628	5.6
151.11153	1.0
155.08614	1.1
155.10707	0.6
157.06490	0.6
157.10135	13.2
159.08022	0.8
159.11670	1.0
163.11169	2.8
165.12746	2.5
167.08722	0.7
169.10184	0.7
171.08028	0.8
171.10271	0.7
171.11693	0.8
173.09552	1.1
175.11188	12.5
184.07289	0.8
185.13240	1.0
187.11139	0.8
189.11212	1.7
189.12782	0.7
193.12250	35.7
195.11699	0.8
197.13213	1.1
205.12311	0.8
209.11716	1.8
211.13290	14.7
223.13383	0.8
227.12767	2.2
229.14380	2.7
233.15378	1.3
237.12943	0.8
249.14821	1.6
255.13759	2.8
257.15408	0.7
267.15924	100.0
268.16183	0.8
273.14813	3.5
283.15472	3.1
285.14014	1.3
285.17001	15.7
301.16473	1.9
323.19083	0.8
339.23404	1.2
341.21265	1.1
349.21573	2.9
367.22681	9.1
385.23669	9.9
403.24881	3.0
415.24683	0.8
433.25931	15.5
441.26297	6.1
442.26483	0.8
459.27432	84.6
460.27908	1.4
477.28500	57.5
478.28717	1.9
509.30997	1.1
519.29559	1.6
527.28528	1.6
585.30658	1.3
725.42578	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	724.4106
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	2.6
55.01880	3.0
55.05270	1.0
55.05513	12.1
57.03438	9.9
57.07059	0.7
59.04992	1.2
61.02922	1.2
65.03936	2.0
65.77724	0.6
67.05504	19.8
69.03426	4.1
69.07068	4.8
69.22403	5.4
71.01352	1.2
71.05004	3.8
71.22630	0.5
73.02917	1.3
79.05492	19.3
81.03419	62.9
81.07058	19.3
82.03751	1.0
82.07416	0.7
83.04977	10.0
83.08620	20.8
85.02907	10.9
85.06537	1.7
86.09712	0.6
87.04457	0.8
91.05484	18.2
92.05788	0.7
93.07043	13.1
95.04974	22.8
95.08615	7.5
95.23467	0.6
97.02893	5.0
97.06525	3.8
97.10172	7.6
99.04461	1.3
105.07032	14.1
107.04956	8.7
107.08601	8.4
109.02871	0.6
109.06499	4.4
109.10162	7.0
111.04401	2.7
111.08088	8.7
113.05954	1.6
115.05448	1.2
117.07001	3.0
119.04934	1.4
119.08581	15.1
120.08871	0.7
121.06523	3.4
121.10134	9.0
123.08080	2.1
123.11694	1.5
125.09631	6.2
127.03892	0.6
128.06226	0.8
129.05515	0.9
129.07010	8.6
131.08585	9.3
133.06476	3.8
133.10130	6.2
135.08014	1.7
135.11678	2.9
137.06020	0.6
137.09624	2.2
142.07765	1.8
143.08562	1.4
145.06508	1.9
145.10118	4.2
147.08012	3.3
147.11691	9.6
149.09616	7.0
151.11171	1.4
153.09099	0.9
153.12700	1.0
155.08595	0.7
155.10687	0.8
157.10124	11.9
159.11708	0.7
161.09637	0.6
163.11176	5.1
164.11566	1.3
165.12761	2.1
169.38203	0.7
171.11708	1.0
173.09653	1.2
173.11777	1.5
173.13300	0.8
175.11191	11.5
181.12216	0.9
184.07405	1.2
189.11259	2.3
189.12805	1.1
191.10603	1.0
193.12247	32.5
199.11191	1.2
199.13316	0.9
205.12337	0.6
209.09955	0.6
209.11693	3.2
211.13292	20.0
215.14299	0.6
227.12714	4.1
228.13120	1.0
229.14349	3.8
233.15425	1.4
241.14490	1.0
249.14896	1.0
267.15906	43.3
268.16254	2.0
269.16467	0.6
273.14740	2.7
283.15305	4.0
284.15762	1.7
285.16953	18.6
294.66202	0.7
301.16522	2.8
309.16870	0.6
349.21567	1.7
357.23947	0.9
367.22592	6.8
375.18430	0.6
385.23734	10.7
403.24826	3.9
421.25659	0.9
437.25211	0.6
441.26187	4.0
455.26578	1.0
459.27429	61.2
460.27878	1.3
475.26825	1.2
476.27225	1.5
477.28458	100.0
478.28763	3.6
509.26968	0.9
519.29669	1.3
527.28192	3.3
545.29559	1.8
585.29968	0.9
621.32776	1.0
688.76410	0.6
700.37653	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.4289
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	0.6
53.24089	0.2
55.01873	0.6
55.05510	0.7
57.03436	0.9
57.07079	2.7
61.02927	3.3
61.52993	0.2
67.05511	1.5
69.03436	2.5
69.07074	0.9
69.43429	1.5
71.01360	0.3
71.05010	0.5
71.08644	1.9
73.02918	2.3
79.05508	0.8
81.03430	0.8
81.07063	1.5
83.04974	0.2
83.08621	1.4
85.02908	3.2
85.10184	1.1
85.11058	0.2
86.09726	0.5
87.04489	0.3
91.03970	2.2
91.05486	0.3
93.07043	1.4
95.08612	2.9
97.02898	3.3
97.10201	0.3
98.20761	0.4
99.04467	0.9
101.02386	1.3
103.03972	0.2
105.07050	0.4
107.04974	0.3
107.08626	0.9
109.02911	0.5
109.10160	1.2
115.80882	0.2
117.07072	0.2
119.08590	0.4
121.06543	0.3
121.10172	0.9
121.15003	0.2
123.11703	0.4
125.00018	0.4
127.03928	0.7
133.10129	0.2
135.11708	2.5
145.05161	0.2
145.10149	1.4
163.11206	3.6
173.58572	0.2
181.12273	0.5
184.07375	1.7
185.04274	0.8
203.05327	0.3
219.10014	0.5
227.12770	3.1
227.14600	0.2
243.08415	2.3
249.11003	9.2
305.13654	2.2
313.27530	0.7
407.09555	0.3
458.99356	0.2
467.18927	12.4
497.30872	5.9
497.37881	0.4
561.37885	0.6
723.42896	100.0
724.43243	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	723.429
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	0.4
55.01882	0.6
55.05508	1.0
57.03424	1.7
57.07080	4.6
60.08152	0.9
61.02926	4.8
67.05504	2.5
69.03431	2.4
69.07068	1.1
71.01353	0.6
71.04976	0.4
71.06179	0.3
71.07388	0.6
71.08629	3.2
71.52317	0.4
73.02911	3.8
79.05518	0.7
81.03418	1.8
81.07063	3.4
83.04963	0.3
83.08616	1.8
85.02906	4.9
85.10194	2.0
86.09705	3.8
87.04479	0.5
87.10036	0.6
89.06068	0.5
91.03962	3.3
91.05468	0.8
93.07030	1.6
95.04958	0.4
95.08610	4.0
97.02889	4.4
97.10191	0.9
98.98455	0.6
99.04453	0.5
101.02375	1.4
103.03886	0.4
104.10712	0.4
105.07029	0.7
105.97364	0.3
107.08598	0.8
107.90945	0.3
109.02882	0.7
109.10145	1.9
111.08092	0.3
115.03952	0.4
119.08609	0.6
120.55697	0.3
121.10131	0.5
122.27274	0.3
123.11733	0.7
125.00007	3.7
126.55173	0.3
127.03924	1.1
129.53856	0.3
133.10161	0.4
135.11731	1.4
145.10095	0.7
163.11156	1.5
181.12216	0.6
184.07336	14.3
185.04274	0.6
185.07707	1.7
227.12849	1.2
243.08395	2.4
249.10980	12.6
303.84702	0.3
305.13708	1.0
313.27484	1.2
467.18915	6.0
482.39871	0.4
497.30820	9.7
497.37936	0.6
546.00293	0.4
549.25665	0.5
561.37585	0.5
569.38788	0.3
611.46716	0.8
705.43591	0.4
723.42841	100.0
724.43024	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	723.3932
Annotation	Unknow
Peak:m/z	Relative Intensity
51.52246	0.3
53.03939	1.0
55.01867	0.8
55.05512	2.6
57.03447	2.1
59.04996	0.5
60.08138	0.3
61.02928	3.9
65.03945	0.5
66.01511	0.3
67.05508	10.4
69.03432	3.0
69.07066	1.9
71.01376	0.5
71.04984	1.2
73.02927	3.1
73.59383	0.3
76.25765	0.3
79.05495	3.6
81.03426	3.7
81.07063	4.6
83.04986	1.0
83.08620	1.4
84.53568	0.4
85.02910	4.8
85.06547	0.6
86.09721	1.0
87.04479	1.0
91.03956	2.2
91.05496	3.8
91.66490	0.3
93.07053	3.3
95.04996	1.8
95.08611	2.8
97.02891	4.2
97.06541	0.9
97.10183	0.8
99.04475	0.9
101.02399	1.7
103.03977	0.4
105.07045	2.3
107.04969	0.8
107.08614	1.9
107.55465	0.4
109.02879	0.9
109.06512	0.9
109.10159	7.7
111.04462	0.5
111.08110	0.4
116.98654	0.3
117.07020	0.9
118.42020	0.3
119.08595	2.0
121.06557	0.8
121.10149	1.4
123.04443	0.5
123.08081	0.4
123.11742	0.5
123.48664	0.4
125.00014	1.0
125.09656	0.7
127.03930	1.5
129.06993	0.4
131.08571	1.2
133.10130	1.4
135.08040	0.6
135.11696	0.8
137.09637	0.5
140.74364	0.4
145.10144	1.1
147.11702	0.8
149.09647	0.9
149.13274	0.6
155.10646	0.6
157.10129	0.7
159.11720	0.5
163.11256	0.4
171.11786	0.4
173.04401	0.4
173.11790	2.2
173.13222	0.7
175.11285	0.4
177.12895	0.5
184.07347	3.9
185.04164	0.4
185.07663	0.4
193.12213	0.7
195.09978	0.9
201.66347	0.4
203.05286	0.4
229.14421	1.5
241.07062	0.4
243.08424	2.7
251.12668	0.3
267.16077	0.9
275.20129	0.9
301.08984	0.6
315.69354	0.3
333.20441	1.9
351.26184	0.4
389.22708	0.5
413.17850	10.2
422.25891	0.4
453.21201	0.5
529.35144	0.4
543.36823	1.0
551.28339	4.4
561.37994	0.6
723.39252	100.0
724.39600	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	722.5049
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	7.6
57.03438	4.4
57.07081	29.6
59.04971	1.9
59.21650	0.7
60.08144	0.8
61.02925	3.0
63.92076	0.6
64.18958	0.6
65.03905	1.7
67.05509	62.7
69.03404	1.3
69.07072	9.2
71.05001	19.1
71.05371	1.6
71.08634	20.6
73.02888	1.0
74.09701	0.6
79.05495	6.7
80.02590	0.6
81.03406	1.3
81.07059	20.8
83.04946	1.9
83.08624	12.5
85.02898	3.5
85.06522	2.1
85.10191	12.2
86.09701	5.3
89.06020	0.6
91.03918	0.7
91.04986	0.7
91.05489	8.5
93.07052	11.4
95.04919	0.7
95.08612	24.8
97.02853	1.5
97.06514	2.3
97.10190	4.6
99.08090	1.2
99.11720	0.9
101.06057	0.7
107.08590	5.4
109.10162	61.3
111.08051	2.0
111.11717	1.4
117.06973	0.8
119.08597	8.4
121.10125	2.5
123.11729	4.2
123.12544	0.8
125.00027	3.1
125.13293	1.0
133.10071	0.7
135.11700	8.4
137.09619	10.0
137.13203	1.4
145.10143	2.9
155.10695	3.3
160.86035	0.6
163.11157	2.3
169.12241	1.5
173.11736	9.2
181.12213	1.4
184.05804	1.4
184.07353	18.6
229.14287	0.7
237.14687	0.7
239.23639	2.6
243.15884	1.6
255.15915	5.8
257.24908	0.8
267.35690	0.7
271.15366	0.8
287.18542	20.7
313.27350	21.4
341.26782	0.7
341.85062	0.8
456.18289	0.7
467.37357	98.6
468.37769	2.1
481.39017	3.3
493.38867	5.0
525.41528	100.0
526.41974	3.8
613.02454	0.7
695.38141	0.8
709.16473	0.8
722.47327	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.3925
Annotation	Unknow
Peak:m/z	Relative Intensity
52.04641	0.6
53.03928	1.0
55.01868	1.4
55.05504	2.3
55.67168	0.5
57.03428	2.3
57.64372	0.5
59.05016	0.6
61.02923	4.3
67.05502	11.9
67.89546	0.6
69.03428	3.8
69.07070	3.0
71.04984	2.0
71.52364	0.7
73.02917	3.4
79.05495	5.7
81.03416	5.0
81.07059	7.3
83.04972	1.7
83.08636	1.8
85.02914	5.4
85.06522	0.6
91.03963	2.9
91.05486	4.5
93.07047	4.5
95.04996	1.5
95.08614	3.7
97.02898	4.9
97.06541	1.2
97.10178	1.0
99.04464	1.3
99.21403	0.6
101.02363	1.3
105.07029	3.2
107.04956	0.8
107.08604	3.1
109.02879	1.0
109.10162	9.0
111.04438	0.9
111.08114	0.7
117.07036	1.5
119.08617	3.0
121.10145	1.7
123.08104	0.8
125.09654	1.0
127.03921	1.8
129.06891	0.8
131.08603	1.6
133.10156	1.8
135.11681	1.5
137.09616	0.8
143.08595	0.6
145.10129	1.4
147.11725	1.0
151.11142	0.6
157.10112	0.8
159.11685	1.2
164.11412	0.6
173.11745	2.3
178.81395	0.5
184.07439	1.6
189.12817	0.6
193.12267	0.7
195.09999	1.2
211.13354	0.6
228.45238	0.6
229.14394	1.4
243.08400	2.2
275.20148	1.2
306.22772	0.6
333.20474	1.4
349.24191	0.7
413.17844	9.7
439.19424	1.0
453.20865	1.6
475.26920	0.6
503.33682	0.6
543.36688	1.8
551.28253	4.5
561.36731	0.6
625.32996	0.8
723.39252	100.0
724.39539	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	722.3958
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03920	1.5
55.01842	2.2
55.05510	6.6
57.03441	7.6
61.02918	0.7
65.03934	0.7
67.05508	11.8
69.03396	2.3
69.07065	3.7
70.03524	2.1
70.03938	0.5
71.04972	1.9
73.02880	0.7
79.05494	15.7
81.03421	44.7
81.07056	13.0
83.04977	3.7
83.08170	0.9
83.08625	14.2
85.02864	1.6
91.05485	11.5
93.07049	21.6
95.04379	0.9
95.04971	15.6
95.08611	20.8
97.02891	4.7
97.06533	2.9
97.10150	1.4
99.04452	2.3
103.05421	0.9
105.07034	8.2
107.04956	7.0
107.07870	0.9
107.08593	14.9
108.68504	0.5
109.06508	2.2
109.10139	3.0
111.04421	2.5
111.08077	4.8
113.05978	0.6
115.05430	0.8
117.07028	6.0
119.08579	10.9
121.06485	3.8
121.10155	8.5
123.08020	0.9
125.05997	1.6
125.09625	0.6
127.07579	0.6
129.07016	4.6
130.07788	1.1
131.08580	4.9
133.06503	1.2
133.10126	3.4
134.21457	0.5
135.08018	1.6
135.11696	33.8
137.09659	0.8
139.07504	1.0
142.07758	1.8
142.37096	0.5
145.10121	17.6
147.08041	1.8
147.11671	4.6
149.09584	2.3
153.12744	0.9
155.08536	0.8
157.10126	5.4
163.11183	43.7
165.12744	1.2
173.09677	0.6
175.11194	6.1
181.12250	7.3
193.12244	14.5
205.12329	0.5
209.11751	1.6
211.13280	1.6
227.12790	45.5
228.13191	0.8
249.14886	1.3
267.15927	94.5
268.16306	2.2
283.15405	55.8
284.15979	0.8
301.13425	0.6
436.10751	0.5
475.26947	100.0
476.27252	2.7
493.27789	1.5
493.90588	0.6
517.27850	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	721.4155
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	9.2
55.01880	14.8
55.05270	2.7
55.05518	42.2
56.96563	3.3
57.03447	17.6
57.07076	4.3
59.04993	3.5
59.41091	2.3
61.02911	7.9
65.03941	4.7
67.05508	100.0
68.05858	3.1
68.94335	2.6
69.03435	24.7
69.07073	29.1
71.04983	11.8
71.17213	4.6
73.02914	6.6
79.05498	72.3
80.67681	2.7
81.03423	90.7
81.07062	87.3
83.04996	21.1
83.08631	29.3
85.02908	21.9
85.06532	6.0
91.03963	3.9
91.05489	71.4
93.07048	60.2
95.04980	45.9
95.08613	39.3
97.02906	18.7
97.06561	16.4
97.10178	20.7
99.04476	5.1
99.08101	5.6
103.05510	3.0
105.04514	4.2
105.07036	66.1
107.04967	24.1
107.08596	36.1
109.02874	11.2
109.06501	15.0
109.10165	31.6
111.04430	5.4
111.08083	12.1
113.05987	2.9
115.05390	4.5
117.07026	28.6
119.08597	47.9
121.06508	17.7
121.10164	19.6
123.04402	7.2
123.08086	11.8
123.11681	9.4
124.99985	4.1
125.09641	19.6
127.03922	8.5
128.06200	8.3
129.07005	23.5
131.04900	7.3
131.08580	39.3
131.76151	2.4
133.06512	8.9
133.10143	37.1
135.04442	3.1
135.08066	15.3
135.11716	16.7
137.09634	8.6
140.38861	2.4
141.06985	7.7
143.08575	20.1
145.06474	11.4
145.10132	30.0
147.04424	5.7
147.08032	11.0
147.11668	27.9
149.09647	14.0
149.13249	5.4
151.11127	3.8
153.09103	4.0
155.08543	7.1
157.06522	3.2
157.10155	19.6
159.08075	7.2
159.11710	21.9
161.09659	8.0
161.13231	8.9
163.03906	3.8
163.11168	9.2
165.07007	4.3
165.09175	3.4
165.12808	4.1
167.06958	3.2
169.10132	8.5
171.08054	3.7
171.11696	9.5
173.04488	7.7
173.05939	3.6
173.09642	9.5
173.13260	8.8
175.07376	3.2
175.11191	15.1
177.12721	7.1
177.19051	2.5
179.14368	3.0
181.10167	4.5
181.12148	2.5
183.08089	3.1
183.11702	11.9
184.07347	8.4
185.09612	4.7
185.13246	10.2
187.11266	3.4
187.13132	2.8
187.14754	4.4
189.11232	10.9
189.12741	3.8
193.12299	19.4
197.13295	5.3
199.14847	3.5
203.14406	4.1
205.12109	2.7
209.11650	3.9
211.13251	5.8
217.12206	2.9
225.12682	3.3
227.12665	17.2
229.14310	7.8
231.13655	2.6
235.13222	3.6
239.18042	3.3
250.88863	3.0
257.18951	6.9
259.13239	4.8
267.15936	35.0
269.17453	3.8
273.18423	5.8
275.17319	3.7
275.20090	37.9
281.19098	2.8
285.17096	2.7
293.21155	5.3
299.20132	7.2
301.14243	9.2
301.21539	3.2
309.17029	6.6
313.21738	5.8
315.23108	3.5
317.21100	7.0
320.24704	2.6
321.20566	2.9
331.22757	3.6
341.21219	2.7
349.23804	27.9
355.15231	3.1
373.23749	6.5
375.17938	4.2
408.09842	3.0
429.20184	4.6
431.29623	3.2
435.27185	7.1
447.27338	8.0
449.30060	3.0
461.28888	8.9
467.31375	9.1
485.32596	3.8
501.31931	9.0
523.34100	4.2
541.35229	83.9
542.35626	3.0
559.36395	49.9
583.36011	7.3
587.32275	3.4
649.36884	3.9
667.37958	6.4
685.39362	9.4
703.40430	14.9
721.40900	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	721.4136
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	0.9
55.05504	2.2
57.03440	1.6
57.07065	1.1
60.08156	1.4
61.02924	4.2
63.30637	0.6
67.05505	3.8
69.03421	1.6
69.07076	2.7
71.04977	0.5
71.08619	0.7
71.52561	0.8
73.02934	3.1
79.05491	2.1
81.03416	1.7
81.07076	3.2
83.04959	0.8
83.08617	2.1
85.02905	4.1
86.09715	3.9
91.03976	2.5
91.05491	1.1
93.07075	3.7
95.08626	4.1
97.02907	3.0
97.10184	1.1
99.04450	0.8
99.40234	0.6
101.02369	1.3
107.04951	0.7
107.08628	2.7
109.02847	0.8
109.10176	1.4
119.08595	0.8
121.10165	1.5
123.11752	0.5
125.00035	3.3
127.03941	0.6
135.11697	4.1
145.04877	0.6
145.10165	2.0
147.04437	1.2
163.10071	0.5
163.11162	3.3
184.07349	13.5
185.04256	0.7
185.07730	1.6
194.67857	0.6
227.12752	3.4
237.22188	0.6
243.08430	2.2
249.10994	8.5
267.16168	0.7
305.13638	2.5
311.25949	1.1
314.27615	0.7
467.18848	11.8
486.39896	0.7
495.29214	5.8
559.35925	0.7
721.41315	100.0
722.41541	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	721.3768
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	1.1
54.62593	0.4
55.01883	2.2
55.05522	5.4
57.03440	3.2
59.04998	0.4
61.02936	2.7
67.05508	12.8
69.03440	3.5
69.07074	4.6
70.06597	0.4
70.63478	0.4
70.63820	1.0
71.04994	1.5
73.02920	2.8
79.05492	6.6
81.03424	8.3
81.07059	8.0
83.04992	1.7
83.08639	2.5
85.02904	5.0
85.06551	1.0
87.04486	0.7
91.03952	2.0
91.04974	0.8
91.05487	8.4
93.07058	6.1
95.01340	0.5
95.04970	3.8
95.08607	4.4
97.02901	4.7
97.06548	3.0
97.10172	2.6
99.04478	1.2
101.02387	1.3
105.07041	6.6
107.04946	2.5
107.08617	4.4
109.02880	1.5
109.06524	1.4
109.10160	8.5
111.04461	0.6
111.08062	0.8
117.07071	2.2
119.08598	5.2
121.06509	1.4
121.10144	1.9
123.08069	0.7
123.11683	0.4
125.09639	1.9
127.03896	2.2
128.06262	0.5
129.07027	1.4
131.08572	3.4
133.06572	0.5
133.10139	3.2
135.08070	1.4
135.11688	1.3
137.09634	1.0
139.03893	0.4
141.07057	0.4
143.08571	1.2
145.06544	1.0
145.10138	2.7
147.08057	0.9
147.11684	2.0
149.09666	1.2
149.13275	0.8
151.11156	0.5
151.30325	0.5
155.10638	0.6
157.10139	1.8
158.97272	0.5
159.08113	0.9
159.11653	1.3
161.13257	0.7
163.11200	1.3
169.10165	0.4
171.11725	0.9
173.04559	0.9
173.11800	2.0
173.13187	0.7
175.11252	1.4
183.11716	0.8
184.07402	0.8
187.14842	0.4
189.11316	0.6
193.12262	1.5
195.10016	0.7
201.12775	0.4
211.13301	1.0
223.13342	1.2
227.12883	0.9
229.14313	2.2
243.08411	2.8
256.26370	0.5
267.15894	3.1
275.20093	5.4
285.16611	0.6
291.19641	1.6
293.21143	1.1
300.29114	0.6
331.19003	1.9
349.23792	2.5
365.23395	0.5
368.04105	0.5
387.21429	0.5
413.17886	9.6
413.23135	0.6
419.59106	0.4
429.21481	1.0
461.28906	0.9
485.20126	0.6
541.35339	8.2
549.26740	4.7
559.36487	2.7
703.40204	1.9
721.37708	100.0
722.38110	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	721.3758
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.6
55.01863	1.8
55.05514	3.4
57.03436	3.9
57.07078	1.6
57.93869	0.6
59.26313	0.5
61.02922	4.9
65.03949	1.0
67.05508	13.8
69.03429	4.5
69.07069	3.4
71.04981	1.6
71.08638	0.8
72.11217	0.5
73.02908	3.5
73.45654	0.5
79.05489	5.8
81.03418	7.5
81.07059	8.1
83.04984	2.8
83.08624	3.4
83.42255	0.6
85.02903	5.5
85.06545	0.9
86.09708	1.4
91.03960	3.1
91.05484	7.4
93.07056	5.0
95.04967	5.2
95.08611	5.1
97.02880	4.1
97.06541	2.1
97.10168	1.4
99.04467	1.3
101.02396	2.1
105.07030	6.1
107.04968	2.2
107.08588	3.4
108.44475	0.5
109.02889	2.0
109.06503	3.6
109.10167	9.8
111.01140	0.5
111.04448	0.6
111.08096	1.3
113.06004	1.0
117.07020	1.9
119.08569	3.1
121.06518	0.6
121.10142	1.5
123.08082	1.1
125.00001	0.6
127.03935	2.3
129.07037	0.9
131.04852	0.6
131.08585	2.8
133.06557	0.8
133.10124	3.7
135.08073	1.5
135.11707	1.6
143.08635	1.2
145.10150	2.1
147.08086	1.0
147.11668	1.5
149.09618	1.0
151.11174	1.3
157.10181	1.1
159.11699	1.4
161.09712	0.6
163.11209	0.5
169.10168	0.7
171.11699	0.8
173.11780	2.8
175.11200	1.0
177.12700	0.6
182.15416	0.9
182.40175	0.6
184.07422	1.8
184.21689	0.6
191.10841	0.6
193.12294	2.0
195.09982	1.3
210.15001	1.0
211.13362	1.0
221.62361	0.5
227.12825	0.6
229.07506	1.1
229.14427	1.8
243.08517	2.6
257.19159	0.8
267.15872	3.1
268.16281	0.8
269.17560	0.8
273.18597	1.6
275.20160	2.3
291.19550	3.1
301.08984	0.7
313.17902	1.3
313.27515	2.0
314.27777	2.1
331.18939	2.4
349.23724	1.1
365.23242	0.8
370.18506	0.6
413.17789	10.6
429.21570	0.7
451.19617	1.2
485.19897	1.7
505.39151	0.9
506.39343	1.5
527.24976	0.6
531.25610	1.9
541.35297	2.3
541.43231	1.3
549.26892	2.3
559.36377	2.5
623.30371	1.7
703.36792	9.0
703.48315	1.0
721.37665	100.0
722.38141	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	720.4893
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	2.6
53.29284	0.7
54.42866	0.8
55.01867	1.1
55.05510	10.3
57.03445	11.4
57.07082	19.2
59.27827	0.8
60.08159	1.0
61.02921	3.6
65.03915	1.0
67.05508	27.5
69.03426	3.1
69.07077	11.9
69.28818	6.9
70.06567	1.1
71.05011	5.1
71.08636	14.1
73.63867	1.0
79.05493	14.0
81.03421	27.9
81.07056	24.0
81.97304	0.8
83.04973	7.8
83.08621	17.2
85.02911	12.9
85.06528	2.0
85.10188	7.6
86.09708	5.2
88.07620	0.9
91.03943	1.3
91.05485	19.3
93.07045	11.0
95.04974	13.1
95.08611	19.9
95.29684	1.0
95.98100	0.8
97.02888	2.8
97.06550	2.1
97.10170	6.3
99.08113	1.0
105.06400	1.1
105.07037	11.2
107.04942	3.7
107.08610	6.4
109.06512	2.8
109.10164	18.6
111.04449	1.4
111.08078	6.8
111.11745	1.2
117.06971	1.3
119.08590	12.2
121.06509	0.8
121.10154	7.5
123.08076	1.3
123.11703	3.5
125.00015	4.0
125.09635	1.4
129.07025	4.9
131.08553	5.2
133.06525	1.5
133.10149	5.6
135.11685	3.4
137.09631	2.7
137.13245	1.1
145.10126	1.9
147.11703	7.3
149.09608	3.9
149.13283	1.2
157.10178	7.7
163.11140	1.7
165.12750	1.7
173.11876	1.0
175.11185	8.2
184.07336	16.5
193.12242	22.1
199.21735	0.8
211.13304	38.8
211.15318	1.9
239.23715	1.6
257.24854	1.0
267.15942	14.0
285.16974	55.1
287.18460	4.6
311.25729	4.4
313.27374	57.0
314.27576	1.6
465.35757	17.9
491.36951	2.0
505.38867	12.1
523.39978	100.0
524.40173	3.2
541.38818	1.4
720.34076	1.6
720.47339	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	720.4891
Annotation	Unknow
Peak:m/z	Relative Intensity
51.60106	0.4
53.03946	1.2
55.01867	1.5
55.05512	7.2
57.03437	6.4
57.07079	18.8
61.02919	1.6
65.03939	0.6
65.50158	0.4
67.05505	11.4
69.03443	1.9
69.07069	5.7
70.35511	0.4
71.04991	1.4
71.08634	14.4
73.02920	0.5
79.05493	6.6
81.03420	28.7
81.07060	15.1
82.07370	0.4
83.04983	5.6
83.08624	15.1
85.02911	10.8
85.06557	1.0
85.10184	7.9
86.09713	1.1
89.06035	0.9
91.03999	0.6
91.04972	0.7
91.05490	9.1
93.07053	6.1
94.07411	0.5
95.04974	9.5
95.08611	13.4
97.02884	2.7
97.06564	1.1
97.10172	4.0
99.08094	0.5
103.07562	0.5
105.07027	6.5
107.04944	2.5
107.08611	3.2
109.06524	1.7
109.10159	5.3
111.04463	1.4
111.08081	5.4
113.06013	1.3
115.05495	0.5
116.07082	0.5
117.07040	0.9
117.09159	0.5
119.07796	0.7
119.08593	6.6
121.06519	1.0
121.10165	3.5
121.18398	0.4
123.08086	0.6
123.11713	2.5
125.00045	0.5
125.09640	0.7
127.03847	0.4
129.06995	3.7
131.08588	4.3
133.06506	1.3
133.10123	3.6
135.11687	1.4
136.12022	0.5
137.09647	0.8
137.13261	1.0
142.07753	0.8
145.10120	1.4
147.08047	1.2
147.11702	5.6
149.09610	2.5
157.10152	6.6
163.11237	1.5
164.11594	0.7
165.12787	1.6
175.11188	6.4
184.07315	3.2
193.12253	23.2
211.13297	32.5
227.12918	0.9
228.13147	0.6
239.23660	2.0
257.24841	1.0
267.15942	9.3
283.15421	1.7
284.15833	1.5
285.16977	31.2
286.17395	0.4
291.35800	0.4
313.27377	42.0
314.27811	1.5
315.27850	1.1
433.20560	0.5
447.22293	0.6
448.22110	1.2
475.21448	0.6
476.21655	1.5
505.38879	7.9
521.38928	0.8
522.38489	1.0
523.39954	100.0
524.40259	2.8
536.23724	1.3
562.25055	1.1
622.27783	2.8
623.18567	0.9
623.28192	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	720.4449
Annotation	KDdiA-PC
Peak:m/z	Relative Intensity
55.05497	0.3
56.05034	0.7
57.07071	0.2
58.06623	0.4
59.07119	0.1
59.07395	0.2
59.24499	0.1
60.08165	6.3
67.05490	0.2
69.07070	0.1
69.29163	0.1
70.06583	0.1
71.07378	3.4
71.08624	0.2
71.10585	0.2
77.32638	0.1
78.46142	0.1
79.37005	0.1
81.07053	0.3
83.08617	0.1
86.09709	30.8
91.05479	0.1
93.07054	0.1
95.08611	0.3
98.98466	3.2
104.10749	2.4
125.00010	21.8
131.08577	0.2
163.01523	0.1
166.02684	0.1
184.07346	100.0
185.07726	0.6
219.96904	0.1
245.27194	0.1
311.26062	0.1
350.27728	0.1
464.20547	0.2
496.33679	0.2
720.44458	7.6
721.45398	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	720.4733
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.2
55.01879	0.8
55.05518	2.7
56.96569	1.3
57.03434	8.2
59.05002	100.0
61.02929	1.6
67.05504	4.3
69.03436	2.4
69.07080	2.4
70.06583	0.6
71.05006	1.2
71.53201	0.7
72.08171	0.6
73.02895	0.6
79.05486	4.1
81.03420	11.3
81.07066	5.0
83.05012	1.3
83.08624	3.1
84.08121	0.5
85.02911	3.4
86.09727	0.5
87.04478	0.7
91.03989	0.6
91.05488	4.6
93.07050	3.3
95.04967	3.7
95.08650	2.2
97.02914	3.5
97.06554	1.8
97.10210	1.5
98.97626	0.6
99.00828	0.8
99.04491	0.8
99.08121	1.9
101.09676	1.5
105.07031	3.5
106.78075	0.4
107.04949	2.4
107.08609	2.8
109.02919	1.7
109.06540	1.2
109.10191	2.0
110.06043	0.6
111.04478	0.5
111.08099	1.2
115.07561	3.2
117.09135	40.8
119.04960	0.5
119.08579	3.2
121.06533	2.0
121.10149	1.4
123.04426	0.6
123.08109	0.8
125.09653	1.5
127.03925	1.7
129.07033	1.3
131.08607	1.8
133.06493	0.7
133.10126	3.1
135.08066	1.0
135.10190	0.6
137.09680	0.8
138.05515	3.1
139.03957	0.8
143.08549	0.9
145.06561	0.7
145.10165	1.0
147.11723	1.3
149.09653	1.4
151.11223	0.9
157.10213	1.9
157.12134	0.6
158.11786	0.8
159.11673	0.6
161.09676	1.5
163.03867	0.9
163.11244	0.6
165.12796	0.4
166.75623	0.5
173.11821	0.6
175.11215	1.0
175.11670	0.8
175.13300	24.5
179.10747	0.5
184.07430	1.1
189.09206	0.8
189.11223	0.6
193.12323	3.5
193.14186	0.8
208.13423	0.6
210.35759	0.5
211.13268	0.5
219.13861	1.0
227.12794	0.8
233.17467	9.9
251.18590	1.9
267.09262	1.6
267.15918	11.0
267.18576	0.7
273.14941	0.7
281.14093	0.5
285.10187	1.3
291.21738	3.3
299.14886	5.6
309.22580	2.2
349.25983	1.5
364.16483	1.3
367.22598	1.4
367.26883	1.0
385.23691	1.0
425.87222	0.5
429.21356	0.6
445.26215	1.0
459.27536	5.8
473.24841	2.4
477.28455	4.6
491.26218	6.7
509.30896	0.6
541.39447	3.9
664.00183	0.5
720.33820	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	720.4167
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02366	0.6
53.03722	0.6
53.03944	3.2
55.01880	1.1
55.05272	0.7
55.05516	8.3
57.03433	5.7
65.03933	0.9
66.20498	0.4
67.05507	20.7
69.03416	1.6
69.07068	5.2
69.70765	2.7
71.04987	1.4
73.06555	0.6
77.03940	0.6
77.10704	0.4
79.05497	27.8
80.22050	0.4
81.03423	39.7
81.07057	17.1
83.04989	6.7
83.08625	7.7
83.42199	0.4
85.02914	1.6
85.06538	1.4
86.36630	0.4
89.68768	0.5
91.05483	25.0
93.07046	25.9
95.04972	16.6
95.08609	9.2
95.09173	0.3
97.02900	2.0
97.06508	2.1
97.10156	2.3
99.08104	0.6
105.04535	0.5
105.07036	18.4
107.04952	4.2
107.08595	8.3
109.02911	0.6
109.06541	4.1
109.10139	1.9
111.04464	0.8
111.08099	3.2
115.05447	1.0
117.07026	3.7
119.08584	14.6
121.06498	1.7
121.10165	3.6
123.04435	0.8
123.08073	3.0
127.07586	0.5
128.06247	1.1
129.07010	9.6
131.08574	3.9
133.06502	1.4
133.10149	5.4
135.08029	0.6
135.11696	1.1
137.09634	0.6
141.09140	0.5
142.07779	1.4
143.08568	3.6
145.10135	4.7
147.08075	2.0
147.11688	16.8
149.09630	2.0
149.12016	0.4
151.11169	0.4
154.38924	0.4
155.08592	0.5
156.56497	0.4
157.10123	4.0
159.11713	0.8
161.09660	1.9
161.13297	4.2
163.11157	1.1
165.12831	1.0
171.11702	9.5
175.11191	4.4
185.13226	0.6
189.12729	2.8
193.12250	8.6
207.13792	7.9
211.13387	0.7
226.13057	0.4
249.14862	1.0
267.15921	31.3
281.17480	34.3
381.24252	0.5
421.26016	0.7
447.27252	0.8
455.27707	0.6
473.29016	100.0
474.29483	2.9
491.30334	2.7
509.73343	0.4
515.30103	2.0
571.81720	0.5
581.31323	1.1
590.01691	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	719.4358
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02378	3.1
53.03936	14.1
55.01872	6.6
55.05510	27.6
57.03425	11.3
57.07085	7.4
60.08139	2.9
61.02933	5.9
65.03931	6.1
67.05184	5.5
67.05510	77.5
69.03422	10.9
69.07072	20.4
71.04992	9.5
71.08607	3.3
73.02903	4.5
73.06539	3.4
73.35838	3.7
78.28194	3.3
79.05073	6.3
79.05500	84.5
81.03414	13.9
81.07059	75.0
83.04969	10.7
83.08631	17.1
85.02911	9.3
85.06515	2.8
85.10152	3.4
86.09686	4.5
91.03960	4.2
91.05486	100.0
93.06482	5.4
93.07050	90.7
93.27583	3.2
93.63739	3.6
95.04993	15.7
95.08618	48.0
97.02890	6.4
97.06541	5.1
97.10171	8.2
99.08053	3.8
105.07041	75.5
106.19830	2.9
106.54686	2.8
107.04957	11.2
107.08610	30.0
109.06521	7.2
109.10143	15.4
111.08116	3.6
113.09698	3.5
117.07037	26.9
119.08585	62.9
121.06423	3.4
121.10162	21.4
123.08066	4.9
125.00095	3.3
125.09702	3.6
126.66647	3.0
128.06207	5.5
129.07021	27.0
131.08575	24.3
133.10143	41.2
135.11697	14.1
141.06992	6.7
142.07820	5.2
143.08598	19.2
145.10132	31.2
147.08025	5.7
147.11685	49.8
149.13254	11.6
155.08575	7.2
157.10097	15.9
159.07954	3.0
159.11717	23.8
161.09694	7.3
161.13289	31.4
169.10164	11.7
171.11711	30.9
173.13318	15.0
175.11195	3.5
175.14856	10.2
177.12706	5.1
181.10130	7.7
183.11699	9.7
184.07341	10.6
185.13272	11.7
187.14912	4.3
189.12761	7.5
193.10237	5.0
195.11693	4.0
197.13219	6.3
198.08382	3.0
199.14806	3.1
207.13835	12.9
211.14713	3.5
213.16356	4.4
230.63335	3.5
230.65562	4.7
231.21146	6.5
241.19576	21.9
257.19107	4.4
259.20596	38.7
275.20065	6.7
279.15881	10.2
281.17484	47.5
310.10507	3.6
333.24344	27.5
447.32556	9.4
465.33591	9.1
477.81323	3.4
483.34656	8.9
501.35629	3.8
521.36499	4.8
539.37347	86.2
540.37494	4.2
557.38519	47.4
663.51263	3.5
701.42407	7.9
719.40656	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	719.1887
Annotation	Unknow
Peak:m/z	Relative Intensity
62.31867	0.6
69.03438	0.8
69.64758	2.7
69.65163	1.2
76.26278	0.6
82.99802	0.7
85.02872	0.7
85.81001	0.6
89.03902	2.6
91.32774	0.6
95.04951	2.2
97.02866	1.3
101.00328	0.7
101.00883	5.3
107.04947	1.3
109.01350	0.8
109.02837	1.1
112.93475	0.6
113.00865	1.1
115.02395	0.9
117.03400	4.9
119.01917	7.6
121.02865	2.4
122.01407	0.8
125.55672	0.7
127.02402	1.9
131.01897	4.2
135.04433	11.0
136.06169	0.9
139.02406	0.8
139.03874	0.7
140.59065	0.7
143.01904	9.8
145.02837	8.5
145.03600	2.9
146.03482	0.8
147.01413	1.1
153.03987	0.7
155.01892	7.2
157.03432	3.3
161.02965	10.7
163.03903	100.0
164.04234	2.2
167.01886	5.7
169.03442	3.8
171.01344	0.9
171.05060	3.5
173.02963	10.0
175.04515	0.8
179.01961	2.3
179.51126	0.7
181.03345	0.8
185.01192	1.3
185.02951	22.0
185.04610	1.2
187.04510	3.4
193.03401	1.7
195.05045	1.0
197.02959	9.9
203.02011	2.4
203.04034	4.2
209.02982	2.6
211.04677	1.1
215.03998	5.8
221.02965	47.5
222.03107	1.1
227.04033	5.0
235.06677	1.2
239.04012	13.3
244.04741	0.8
245.02963	2.0
245.05072	36.5
246.05222	0.9
247.04620	1.3
257.05096	14.6
259.04556	1.9
263.03769	4.8
263.06403	3.3
265.05511	0.7
269.03445	0.7
271.04520	11.0
273.06122	2.3
275.06201	5.8
277.03003	0.6
277.05487	3.2
281.05042	9.9
285.06119	1.2
287.03714	3.4
289.05515	5.4
290.05838	0.8
291.07150	2.1
293.07178	1.4
295.06976	3.7
297.02579	0.9
297.05957	1.0
299.03934	2.5
299.06622	1.4
305.05017	3.6
305.07715	2.5
307.06583	5.1
309.08307	2.2
313.05429	3.3
315.03391	1.7
315.07190	3.5
317.05020	2.3
323.03635	2.2
323.06308	2.9
325.07751	0.7
331.06509	6.8
333.04565	2.5
333.08173	4.7
341.04901	3.6
349.07681	13.0
351.05585	2.3
351.09589	3.2
359.06049	6.8
365.07278	4.8
367.08783	2.6
369.06516	4.0
371.08521	0.9
377.07159	29.7
378.07535	1.6
383.08273	1.2
392.08832	0.8
395.08237	26.2
397.09882	2.2
407.10336	1.1
413.09283	1.7
418.09750	1.1
422.08432	1.1
425.07690	0.9
431.50961	0.7
437.09305	95.0
438.09653	2.5
449.09293	15.9
455.10349	12.3
461.09314	1.4
467.10358	25.8
468.70862	0.7
478.11935	1.1
479.10571	3.9
481.11844	1.9
491.09525	1.0
497.11331	8.4
509.11383	1.3
521.11346	1.8
539.12451	19.6
557.13678	2.9
571.14307	1.3
579.76935	0.7
587.11218	1.0
719.18909	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	719.1885
Annotation	Unknow
Peak:m/z	Relative Intensity
55.32081	0.7
71.51557	0.8
82.99839	1.2
89.03931	3.5
95.04973	2.1
96.99915	0.7
97.02890	1.2
101.00863	7.0
109.02927	0.9
113.00874	2.0
116.73050	0.9
117.03372	3.2
119.01928	10.1
121.02847	1.4
127.02435	2.1
128.01376	1.1
131.01921	5.1
133.03479	1.1
135.04425	7.6
139.02388	1.0
143.01897	11.8
145.02792	4.9
145.03542	4.7
146.03326	0.8
153.03944	1.0
155.01909	8.4
157.03459	4.6
161.02940	8.3
163.03906	88.9
164.04239	1.9
167.01860	6.8
169.03513	3.6
171.05051	2.9
173.02982	11.2
175.04514	1.9
179.01920	2.1
181.03500	1.2
185.01184	1.9
185.02946	23.9
185.04536	1.3
187.04546	4.7
193.03403	1.0
197.02979	10.5
199.04585	1.3
203.01907	3.7
203.03989	5.2
203.05522	1.6
209.03062	3.2
211.04637	0.8
215.04001	7.3
221.02966	41.6
221.04810	1.5
222.03143	1.1
227.04031	4.7
235.06664	1.5
239.03967	11.9
245.03023	2.1
245.05090	42.8
246.05389	1.0
247.04900	1.2
257.05060	17.4
259.04483	1.4
263.03790	5.9
263.06488	4.3
271.04529	10.4
273.06140	2.2
275.06165	7.3
277.05676	3.4
281.05118	9.9
284.06625	0.9
285.06271	1.1
287.03992	2.5
287.06757	0.9
289.05444	4.6
291.07089	2.6
293.07327	1.3
295.06842	4.3
297.06113	0.9
299.03946	3.0
299.06619	1.8
305.05045	4.3
305.07758	2.8
307.06711	4.9
309.08121	2.4
313.05548	3.1
315.03494	2.8
315.07190	3.5
317.05078	2.6
323.03806	0.9
323.05991	3.1
323.09445	1.0
331.06638	5.9
333.04755	1.9
333.08215	4.7
341.05228	2.5
349.07706	15.3
351.05441	1.9
351.09274	2.4
359.06195	6.1
365.10120	8.6
367.08829	2.6
369.06668	3.0
377.00510	2.3
377.07159	27.1
377.11929	1.7
378.07346	1.7
380.08636	1.2
381.07910	7.0
383.08160	1.1
395.08249	28.7
397.09766	2.5
413.08948	1.6
419.08487	1.0
437.09323	100.0
438.09531	3.3
438.61749	0.9
449.09308	17.6
455.10358	12.2
461.09399	1.4
467.10361	23.2
478.11908	1.4
479.10211	4.3
481.12131	1.2
485.10901	1.1
491.10315	1.3
497.11414	10.6
521.10846	2.0
525.10754	1.2
539.12427	19.4
557.13318	3.3
571.14880	2.6
719.07764	1.8
719.18323	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	718.5313
Annotation	Unknow
Peak:m/z	Relative Intensity
54.99002	1.0
55.05512	2.4
57.07080	57.8
59.05003	14.9
60.61382	1.1
66.44051	0.9
67.05507	3.3
67.35316	1.1
67.86381	1.0
69.07069	2.4
70.17340	2.4
71.07355	1.6
71.08636	58.2
73.06564	5.0
79.05487	2.0
81.03423	2.0
81.07053	3.4
83.05020	1.8
83.08618	1.4
85.02952	0.9
85.10187	49.5
86.09714	3.7
86.19062	1.0
87.04478	15.1
89.06038	100.0
91.05476	2.2
93.07055	2.4
95.08592	2.2
97.02927	1.1
97.10197	1.1
99.11738	3.9
102.40217	1.0
103.07589	5.9
105.07088	1.0
107.07082	1.4
116.50545	1.1
117.09119	5.2
125.00089	1.2
130.08632	3.0
131.07066	6.7
133.08614	81.4
141.16414	4.7
161.11771	2.0
175.09662	5.8
177.11232	31.7
177.12706	2.2
184.07359	11.2
199.20540	6.4
219.12373	3.2
221.13802	7.8
229.14340	1.4
239.14796	1.4
243.23222	7.1
265.16458	2.2
283.17615	2.1
302.65536	1.0
309.19122	2.0
327.19992	2.2
333.01849	1.1
353.21866	2.0
397.24115	1.8
415.25317	1.2
459.27985	2.5
503.30649	11.1
503.37732	1.6
543.33612	1.9
701.50073	2.0
718.52545	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	718.4735
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03924	1.1
55.01868	2.1
55.05514	8.4
55.35237	0.4
57.03442	9.3
57.07080	29.6
61.02899	1.4
63.72815	0.4
65.03905	0.6
67.05508	17.5
69.03410	1.1
69.07072	9.7
71.04964	1.9
71.08636	20.9
71.09003	0.8
73.02896	1.1
79.05497	17.7
79.05957	0.9
81.03385	1.8
81.07063	20.5
83.04986	2.5
83.08170	0.9
83.08624	13.3
85.02888	1.3
85.06543	0.9
85.10189	12.6
89.06029	2.8
91.03911	0.6
91.05492	5.8
93.03418	0.7
93.07050	24.8
95.04988	4.6
95.08612	40.3
97.02896	3.9
97.06541	2.2
97.10189	4.0
99.04466	3.3
99.08043	0.5
99.11700	1.2
103.05437	0.7
103.07562	1.5
105.07044	5.4
107.04964	5.8
107.08599	21.0
109.06507	1.6
109.10160	8.2
111.04408	1.2
111.11674	0.8
113.06001	0.5
117.06380	0.4
117.07023	5.4
119.08591	7.7
121.06499	4.6
121.09344	0.7
121.10154	9.0
123.11726	2.4
125.06030	2.8
130.07793	0.8
133.10081	1.7
135.08011	1.7
135.11697	43.6
137.00616	0.5
137.13229	1.0
139.07556	1.3
143.08501	0.8
145.10133	23.9
153.12691	0.8
155.08504	0.5
163.11189	53.5
164.11513	0.8
173.09613	0.6
181.10616	0.5
181.12239	10.2
184.07332	0.7
209.11812	0.7
227.12791	58.7
228.13097	0.8
239.23744	1.9
257.24689	2.3
283.15405	93.2
284.15738	1.4
313.27380	100.0
314.27655	1.6
454.39459	0.5
521.38416	99.9
522.38989	2.8
555.29395	0.5
622.26837	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	718.4733
Annotation	Unknow
Peak:m/z	Relative Intensity
51.78182	0.5
53.03922	0.6
55.01841	1.9
55.05513	6.1
57.03440	7.9
57.07076	23.3
59.04964	0.5
61.02902	1.2
67.05505	12.1
69.03426	0.6
69.07070	7.8
71.04971	1.0
71.08634	18.1
73.02886	1.0
79.05490	10.4
81.03374	1.9
81.07059	13.4
83.04947	1.6
83.08165	0.7
83.08614	9.2
85.02859	1.4
85.06509	0.6
85.10185	10.3
86.09672	1.3
89.05991	1.7
91.05492	3.5
93.07043	16.4
95.04948	2.7
95.08608	27.3
97.02890	3.0
97.06490	2.0
97.10163	3.5
99.04434	1.4
99.11687	0.9
103.07565	0.9
105.07013	2.9
107.04941	4.0
107.08595	13.2
109.06458	0.7
109.10156	7.1
111.04394	1.1
111.08056	0.8
111.11678	0.8
117.07008	3.9
119.08591	4.0
120.00220	0.5
121.06487	2.7
121.10146	5.9
123.11664	2.2
125.00008	0.8
125.05951	1.4
133.10088	1.7
135.08046	1.2
135.11690	23.5
137.13200	1.0
139.07544	0.9
139.11220	0.5
145.10123	14.8
153.12729	0.5
163.11179	33.4
181.12241	5.7
181.13753	0.8
184.07338	4.0
209.11545	0.5
227.12776	34.3
239.23721	1.8
257.24713	2.7
267.15897	1.0
268.16339	0.6
283.15387	42.3
284.15573	0.7
313.27356	100.0
314.27747	2.7
324.10730	0.6
506.39404	0.8
521.38367	82.3
522.38806	2.9
622.27130	0.6
710.23737	0.5
718.44928	0.7
719.33911	0.6
740.60834	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	718.4374
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	2.4
55.01868	5.0
55.05268	1.4
55.05514	16.5
57.03437	11.5
57.07063	1.8
59.05004	5.0
61.02930	4.1
65.03952	2.8
67.05505	100.0
68.05852	0.8
69.03432	5.1
69.07072	17.2
69.41624	5.3
71.01332	1.0
71.04999	4.7
71.46037	0.7
73.02923	2.3
79.05495	23.8
81.03410	6.7
81.07059	41.7
83.04983	5.3
83.08616	14.5
85.02908	5.9
85.06546	5.0
91.03961	2.1
91.05482	22.6
93.07041	27.8
94.69031	0.7
95.04956	5.6
95.08609	19.4
97.02897	3.6
97.06532	7.9
97.10188	7.2
99.04462	1.7
99.08124	1.7
103.05479	0.6
105.07031	16.7
105.07687	1.1
107.04957	5.4
107.08600	20.3
107.09299	1.2
109.02893	1.3
109.06538	3.1
109.10158	74.1
111.04533	0.8
111.08070	6.0
113.05983	0.8
113.09679	0.7
115.05489	1.5
115.75239	0.7
117.07011	7.6
119.08584	18.2
121.06515	3.7
121.10117	6.7
123.08093	2.8
123.11718	1.7
125.09623	7.1
127.03919	2.2
128.06293	0.9
129.07022	3.3
131.08583	10.6
133.06505	1.3
133.10136	10.6
135.08072	3.0
135.11687	8.2
137.09589	4.6
141.06976	1.3
143.08583	2.3
145.05031	1.1
145.06500	1.5
145.10127	9.2
147.11685	5.8
149.09619	7.2
149.13275	4.0
151.11273	0.9
153.09105	1.0
155.08580	1.5
155.10626	5.5
157.10155	2.9
159.11702	7.2
161.13295	2.4
163.11191	5.1
165.09155	0.8
165.12834	1.0
169.10164	1.8
171.10329	1.0
171.11743	3.0
173.04536	1.8
173.11787	19.2
173.13329	3.9
175.14716	0.9
177.12784	2.6
179.14357	1.6
181.12415	0.7
183.11722	1.2
184.07443	1.4
185.13304	0.8
187.11215	1.2
189.11200	4.8
195.13846	2.1
197.13318	1.5
213.14940	0.7
227.12787	15.1
227.14896	1.0
229.14340	71.4
230.14684	0.9
239.18073	1.7
247.20731	1.3
253.18150	0.8
255.16014	3.1
257.19003	6.6
267.15979	1.1
269.17505	10.2
275.17004	1.3
275.20050	20.9
291.19690	1.1
293.18002	1.2
293.21323	1.8
325.20309	1.9
331.22699	2.3
332.62219	0.7
349.23779	22.5
367.25024	1.6
383.24347	1.8
399.23892	5.4
407.28113	2.0
409.25854	15.2
423.27414	58.3
424.27649	1.0
447.27936	0.9
463.30566	1.7
485.32721	0.9
503.33725	38.4
504.34503	1.7
521.34625	7.1
543.28198	1.1
562.00043	0.7
567.31976	2.7
689.14453	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	718.2525
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02390	1.0
53.03938	1.9
55.01862	1.8
62.02393	0.7
62.80938	0.9
65.03929	3.9
65.20881	0.8
67.05500	2.1
69.03423	1.4
69.34052	4.3
69.34454	1.5
70.06592	2.0
71.04986	1.1
73.02907	0.8
75.04468	1.9
79.05478	3.1
81.03406	3.2
81.07079	1.3
85.02912	4.2
89.03920	1.0
91.05489	7.9
93.03400	5.4
93.07042	3.2
94.04156	2.1
95.04993	4.6
95.08582	0.8
97.02889	5.6
97.06519	2.3
99.04454	1.1
102.04634	0.7
103.05472	22.0
105.03385	0.9
105.07040	4.1
106.04175	9.7
107.04960	6.5
108.02099	1.4
109.02859	0.8
109.06533	1.8
109.10133	0.9
115.05450	3.6
117.03383	1.6
117.07032	2.4
118.04160	3.1
119.04960	4.5
119.08575	1.5
121.02845	1.1
121.06512	9.9
122.03643	3.3
122.05985	0.9
123.04430	5.0
124.05183	1.2
125.05985	5.1
129.07022	1.5
130.04164	1.0
131.04936	28.8
132.05717	1.3
133.02808	1.5
133.06506	5.8
134.03606	2.4
135.04440	2.3
135.08037	2.6
137.05978	42.3
139.03864	1.3
139.07588	1.3
141.05484	1.1
141.06921	0.9
142.02643	1.5
143.04909	1.8
145.02849	2.3
145.06512	4.2
146.03563	1.0
147.04453	3.9
147.07999	1.7
148.05188	10.9
149.00522	0.9
149.05992	19.5
151.03915	55.0
151.05006	4.1
151.07542	2.1
152.04396	1.2
153.05502	3.7
153.09064	4.7
157.06519	1.8
159.04398	1.3
159.08023	1.2
160.05217	1.2
161.05962	6.2
163.03946	5.4
163.07547	18.9
165.05481	4.2
165.09085	1.5
167.03439	1.7
167.07050	28.7
167.08449	1.7
168.03775	1.1
171.06467	0.9
173.06020	4.4
175.03882	1.2
175.07533	5.9
176.04668	2.7
176.07880	0.8
177.05476	17.1
177.06908	1.6
179.07050	2.3
181.04961	39.5
181.08563	10.8
187.07559	3.5
189.05478	1.3
189.09094	1.5
190.00887	1.1
190.06151	1.1
191.03404	3.0
191.07034	100.0
192.07654	1.7
193.03203	5.7
193.04953	2.0
193.08620	2.2
195.06505	3.2
201.05470	1.6
202.81418	0.8
203.07036	3.1
205.06644	1.5
205.08633	4.3
207.06522	2.3
207.08276	1.0
207.10187	1.9
208.01912	1.1
209.08102	67.2
217.08578	1.5
219.10185	3.5
221.08066	0.8
223.04234	11.8
223.09552	0.8
225.07556	1.5
231.06502	1.5
231.10338	0.9
233.08075	4.2
235.07581	1.6
235.09702	4.0
237.09007	1.0
245.08270	1.6
247.07567	1.0
249.09062	1.5
251.07092	0.9
263.09149	25.1
265.08575	0.9
267.10291	1.7
277.08701	0.7
279.10080	1.1
282.08044	0.9
291.08691	1.1
292.08948	0.9
295.09589	2.1
297.11038	0.8
301.07101	1.0
309.11240	0.9
311.16177	0.9
312.09119	2.5
325.10645	2.9
327.12299	2.3
329.13684	2.2
337.10675	1.6
350.18402	0.8
351.12241	0.8
355.11853	6.4
357.13251	3.6
359.15024	1.5
369.13211	2.4
383.21252	0.9
385.12756	6.6
387.14331	22.1
399.14365	1.8
417.15417	10.5
492.64972	0.8
547.19330	1.2
579.22717	0.9
719.28552	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	718.2525
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02390	1.0
53.03938	1.9
55.01862	1.8
62.02393	0.7
62.80938	0.9
65.03929	3.9
65.20881	0.8
67.05500	2.1
69.03423	1.4
69.34052	4.3
69.34454	1.5
70.06592	2.0
71.04986	1.1
73.02907	0.8
75.04468	1.9
79.05478	3.1
81.03406	3.2
81.07079	1.3
85.02912	4.2
89.03920	1.0
91.05489	7.9
93.03400	5.4
93.07042	3.2
94.04156	2.1
95.04993	4.6
95.08582	0.8
97.02889	5.6
97.06519	2.3
99.04454	1.1
102.04634	0.7
103.05472	22.0
105.03385	0.9
105.07040	4.1
106.04175	9.7
107.04960	6.5
108.02099	1.4
109.02859	0.8
109.06533	1.8
109.10133	0.9
115.05450	3.6
117.03383	1.6
117.07032	2.4
118.04160	3.1
119.04960	4.5
119.08575	1.5
121.02845	1.1
121.06512	9.9
122.03643	3.3
122.05985	0.9
123.04430	5.0
124.05183	1.2
125.05985	5.1
129.07022	1.5
130.04164	1.0
131.04936	28.8
132.05717	1.3
133.02808	1.5
133.06506	5.8
134.03606	2.4
135.04440	2.3
135.08037	2.6
137.05978	42.3
139.03864	1.3
139.07588	1.3
141.05484	1.1
141.06921	0.9
142.02643	1.5
143.04909	1.8
145.02849	2.3
145.06512	4.2
146.03563	1.0
147.04453	3.9
147.07999	1.7
148.05188	10.9
149.00522	0.9
149.05992	19.5
151.03915	55.0
151.05006	4.1
151.07542	2.1
152.04396	1.2
153.05502	3.7
153.09064	4.7
157.06519	1.8
159.04398	1.3
159.08023	1.2
160.05217	1.2
161.05962	6.2
163.03946	5.4
163.07547	18.9
165.05481	4.2
165.09085	1.5
167.03439	1.7
167.07050	28.7
167.08449	1.7
168.03775	1.1
171.06467	0.9
173.06020	4.4
175.03882	1.2
175.07533	5.9
176.04668	2.7
176.07880	0.8
177.05476	17.1
177.06908	1.6
179.07050	2.3
181.04961	39.5
181.08563	10.8
187.07559	3.5
189.05478	1.3
189.09094	1.5
190.00887	1.1
190.06151	1.1
191.03404	3.0
191.07034	100.0
192.07654	1.7
193.03203	5.7
193.04953	2.0
193.08620	2.2
195.06505	3.2
201.05470	1.6
202.81418	0.8
203.07036	3.1
205.06644	1.5
205.08633	4.3
207.06522	2.3
207.08276	1.0
207.10187	1.9
208.01912	1.1
209.08102	67.2
217.08578	1.5
219.10185	3.5
221.08066	0.8
223.04234	11.8
223.09552	0.8
225.07556	1.5
231.06502	1.5
231.10338	0.9
233.08075	4.2
235.07581	1.6
235.09702	4.0
237.09007	1.0
245.08270	1.6
247.07567	1.0
249.09062	1.5
251.07092	0.9
263.09149	25.1
265.08575	0.9
267.10291	1.7
277.08701	0.7
279.10080	1.1
282.08044	0.9
291.08691	1.1
292.08948	0.9
295.09589	2.1
297.11038	0.8
301.07101	1.0
309.11240	0.9
311.16177	0.9
312.09119	2.5
325.10645	2.9
327.12299	2.3
329.13684	2.2
337.10675	1.6
350.18402	0.8
351.12241	0.8
355.11853	6.4
357.13251	3.6
359.15024	1.5
369.13211	2.4
383.21252	0.9
385.12756	6.6
387.14331	22.1
399.14365	1.8
417.15417	10.5
492.64972	0.8
547.19330	1.2
579.22717	0.9
719.28552	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	717.4185
Annotation	Unknow
Peak:m/z	Relative Intensity
52.38183	0.6
53.03933	0.7
55.01874	0.8
55.05510	1.4
57.03437	2.2
57.07072	0.9
61.02701	0.4
61.02934	5.0
67.05505	6.0
69.03433	2.9
69.07075	1.2
70.00896	1.7
71.01342	0.7
71.04982	0.9
73.02920	5.4
78.99780	0.5
79.05498	3.2
81.03416	1.5
81.07056	4.3
83.04991	0.9
83.08641	0.6
85.02905	5.4
86.09694	1.3
87.04440	0.5
90.59647	0.5
91.03976	3.4
91.05485	1.7
93.07037	5.1
94.92838	0.5
95.08612	3.8
97.02914	4.8
98.21452	0.6
99.04466	1.1
101.02399	1.5
105.07025	0.9
107.08573	2.8
109.02885	0.7
109.10182	1.5
119.08624	1.0
121.10170	2.0
125.00032	1.4
127.03937	1.3
131.08597	1.0
133.10114	1.2
135.11725	3.5
145.10139	0.8
176.12546	0.5
177.30811	0.6
178.10205	0.5
184.07382	4.6
185.04227	0.7
221.11522	1.4
243.08559	1.5
335.25864	0.9
347.97928	0.6
403.71399	0.5
439.19543	3.7
472.76352	0.6
519.29285	5.8
717.41797	100.0
718.42328	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	716.4943
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	2.7
53.09381	1.2
55.01861	1.3
55.05513	8.7
55.62290	0.9
57.03431	4.7
57.07077	17.8
67.05508	22.9
69.07072	7.5
69.56439	4.7
69.56843	2.2
71.08636	11.9
79.05071	2.0
79.05499	28.9
81.03411	3.7
81.07060	20.4
83.04990	7.5
83.08614	6.9
85.10181	6.7
91.05477	19.8
93.07045	27.0
95.04975	6.3
95.08604	20.6
97.06524	2.9
97.10149	4.0
103.05473	1.2
105.04497	2.1
105.07027	14.6
107.04971	3.3
107.08617	6.8
109.06516	1.6
109.10141	5.8
111.11654	1.3
117.07016	3.5
119.08594	9.4
121.06554	2.1
121.10113	1.7
123.08090	2.5
123.11687	2.1
129.07014	7.7
133.10110	4.1
135.11674	1.5
139.53259	1.0
143.08554	3.5
145.10138	4.1
147.08115	2.3
147.11678	15.6
161.13217	2.4
171.11726	10.8
184.07359	6.2
189.12784	4.1
207.13818	12.8
281.17484	46.0
313.27356	44.7
335.67325	1.1
519.40466	100.0
520.40601	2.2
716.48932	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	717.3857
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	7.7
55.01879	6.5
55.05500	10.0
57.03435	8.3
57.07074	2.5
59.04998	3.2
61.02934	7.1
61.51622	1.8
65.03918	2.7
67.05504	18.8
69.03426	27.0
69.07059	16.3
70.67134	5.9
70.99236	2.1
71.05013	7.1
73.02929	3.6
79.05486	13.2
81.03424	29.2
81.07053	27.4
83.04993	4.8
83.08627	12.6
85.02907	47.4
87.00829	18.7
87.04478	2.5
91.03963	4.5
91.05479	16.8
93.07046	26.7
95.04991	7.0
95.08615	33.2
95.09171	2.9
97.02895	28.1
97.06551	6.2
99.04482	9.9
101.02367	2.0
103.03954	2.7
105.01863	12.8
105.07030	29.4
107.08607	34.4
109.02880	21.5
109.06622	2.4
109.10159	26.7
111.08121	3.4
116.74001	2.6
117.07069	7.5
119.08585	47.2
119.09357	3.6
121.06528	3.3
121.10140	21.3
123.08095	3.3
123.11726	8.5
124.45467	2.1
127.03925	41.4
128.03308	2.1
129.01828	3.1
129.07040	4.9
131.08574	26.8
133.10124	37.9
135.08064	2.7
135.11705	12.6
137.09633	3.2
137.13242	3.8
139.03923	2.5
141.07048	3.3
142.07805	2.7
143.08549	14.2
145.04979	12.0
145.10123	29.1
147.02945	2.6
147.04457	2.5
147.11703	19.7
149.09740	2.6
149.13287	14.0
153.09145	2.3
155.08618	7.2
156.09424	3.6
157.10117	19.8
158.11090	2.7
159.02878	10.9
159.08194	2.6
159.11713	23.4
161.13258	27.7
163.03908	2.7
163.14833	9.9
165.09180	3.0
169.08957	2.1
169.10115	12.9
171.11682	13.8
173.13280	21.6
175.11256	2.4
175.14807	29.5
175.16048	2.4
177.12802	2.7
177.16376	14.0
179.14401	7.4
181.10184	5.1
182.11029	2.6
183.11755	9.6
185.13261	18.7
187.14821	19.7
189.16370	13.7
191.14384	6.7
193.15862	20.8
195.11823	4.6
197.13269	9.9
199.14815	18.8
201.16379	26.9
203.14417	7.1
203.17957	15.8
205.15883	10.2
207.11740	2.8
207.17561	3.6
209.13354	4.5
211.14917	7.3
212.07213	2.4
213.04103	2.7
213.16426	18.7
215.18088	5.4
217.15825	14.0
219.17497	5.0
221.19026	3.8
223.14949	5.1
225.16470	8.4
227.18080	7.8
229.16058	3.6
229.19643	2.8
231.05193	6.8
231.15399	2.2
231.17392	13.1
233.19090	5.1
235.14812	4.5
237.16400	37.0
239.17946	10.7
243.17525	5.1
245.15417	3.7
247.16977	9.9
249.14894	5.5
249.18715	2.7
251.18182	3.1
253.19621	3.0
255.17592	5.3
259.17224	4.1
261.14923	2.4
273.18558	4.0
277.19803	3.9
279.21326	4.6
283.16953	6.8
297.18958	3.2
319.24197	3.8
387.30728	8.2
389.32419	4.4
393.27844	3.4
405.31540	36.2
407.33334	6.0
413.18015	4.0
421.31186	3.0
423.32797	14.3
433.31085	32.3
443.19147	2.4
451.32098	100.0
452.32455	3.6
456.31119	2.9
469.22610	2.7
469.33154	47.4
471.22134	9.3
487.21582	3.2
501.23331	2.8
627.72052	2.5
653.36682	2.9
681.36896	2.5
699.37622	17.1
717.36908	90.2
718.37115	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	716.4578
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.3
55.01858	1.4
55.05274	1.3
55.05513	18.2
57.03435	8.2
57.07075	8.8
59.04995	1.9
61.02929	1.3
67.05504	25.0
69.03432	1.3
69.07069	22.1
71.04987	2.7
71.08632	6.3
73.02887	1.3
74.33277	0.8
79.05491	20.9
81.03413	1.7
81.06591	1.8
81.07058	30.4
83.04980	3.4
83.08157	1.2
83.08620	18.6
83.79207	0.9
85.02899	2.1
85.06552	2.2
85.10171	2.9
86.09713	2.4
91.05485	6.0
93.07048	32.1
95.04958	3.8
95.08609	34.8
97.02885	4.7
97.06548	4.2
97.10165	8.4
98.20733	2.2
99.04448	3.7
99.08144	0.8
103.03980	1.1
105.07021	4.7
107.04964	6.7
107.07870	1.6
107.08595	24.9
109.06513	1.9
109.10159	8.9
111.08080	2.4
111.11720	3.0
117.07035	6.2
119.08587	8.1
121.06493	3.5
121.10139	16.5
123.11694	2.8
125.00030	1.7
125.06009	2.0
125.09639	1.2
125.13305	0.9
130.07831	0.8
133.10152	2.2
135.08054	1.4
135.11690	45.0
137.13292	1.2
139.07483	1.6
139.11241	1.1
143.08580	0.9
145.10127	21.3
149.13268	2.4
153.12750	1.3
161.09621	1.0
163.11180	50.6
173.09560	1.2
181.12228	9.2
184.07370	8.4
185.07729	0.9
186.07648	0.9
199.20494	1.1
209.11687	1.5
219.21060	1.2
227.12775	50.0
237.22095	2.0
283.15396	82.3
284.15546	1.4
311.25803	88.6
312.26102	1.8
364.09439	0.8
467.36844	1.0
519.36816	100.0
520.36932	2.6
716.50244	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	716.4212
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	1.7
55.01856	4.5
55.05509	10.8
55.27320	1.1
57.03438	7.5
57.07063	1.3
59.04986	3.5
61.02915	4.6
65.03934	2.4
67.05506	91.5
69.03417	4.9
69.07070	12.8
71.04991	4.3
71.52324	1.4
79.05492	18.6
81.03420	6.2
81.06592	2.3
81.07057	41.1
83.04985	5.3
83.08630	7.8
85.02905	3.1
85.06528	4.6
86.09702	2.7
91.05485	32.4
93.07044	23.5
95.04975	5.9
95.08609	12.9
97.02882	2.8
97.06521	3.7
97.10123	1.3
99.04447	2.5
100.34258	1.0
101.05949	1.1
105.07040	25.1
107.04948	4.8
107.08588	22.0
109.02885	1.9
109.06523	6.1
109.10158	83.2
111.08064	4.6
113.06010	2.7
117.07023	4.3
117.48589	1.0
119.08578	12.5
121.06461	5.2
121.10139	3.6
123.04424	1.2
123.08099	2.6
123.11674	6.3
125.00014	2.0
125.09573	1.4
127.07493	2.1
128.06201	1.1
129.06999	2.0
131.08566	6.9
133.06464	3.2
133.10136	42.6
135.08051	4.7
135.11699	2.0
136.60098	1.2
137.09608	3.5
143.08546	2.8
145.10162	5.9
147.08028	3.1
147.11678	3.7
149.09633	5.0
149.13307	1.7
151.11182	18.9
155.10663	2.9
159.07930	1.4
159.11687	2.7
161.09599	4.3
161.13263	1.6
163.11124	2.1
169.12219	3.5
171.11665	2.3
173.11748	12.0
173.13200	1.8
175.11201	2.3
177.09114	1.8
184.07336	4.7
185.13159	1.4
197.11771	1.3
215.12801	2.8
229.14354	53.5
245.19026	2.7
251.12886	2.2
253.14354	100.0
254.14642	1.6
255.17560	1.4
257.13873	1.8
263.20093	2.5
273.18491	17.1
282.36118	1.4
291.19553	18.1
299.72183	1.3
309.20609	1.2
347.22223	5.8
365.23248	22.0
383.24396	1.3
423.23822	2.5
425.25339	28.7
439.26755	1.4
501.32355	8.4
519.33197	67.5
520.33124	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	716.4215
Annotation	Unknow
Peak:m/z	Relative Intensity
50.24601	0.9
53.03934	2.1
55.01871	3.3
55.05512	16.5
57.03442	8.7
57.07068	1.0
59.05013	3.5
61.02930	2.8
65.03933	1.8
67.05507	78.9
68.05832	0.8
68.95675	0.7
69.03427	8.1
69.07072	19.4
69.85393	1.7
69.85793	1.4
71.04996	3.5
73.02929	1.1
73.88932	0.7
79.05499	13.6
81.02994	0.7
81.03419	5.3
81.07059	24.6
83.04979	2.9
83.08623	11.5
85.02894	2.9
85.06543	2.8
86.09697	0.9
91.05485	14.6
93.07051	15.2
94.04192	0.9
95.04982	5.3
95.08614	11.6
97.02888	7.3
97.06538	3.2
97.10170	7.7
98.21449	0.8
105.07033	10.4
107.04938	5.6
107.08614	10.1
109.06528	1.9
109.10160	68.5
111.04428	0.9
111.08075	3.7
117.07014	4.7
119.04957	1.4
119.08578	11.8
121.06508	2.4
121.10134	4.3
123.08076	3.1
125.09644	6.2
127.03909	0.7
129.07037	2.1
130.94659	0.7
131.08568	5.0
133.06535	2.6
133.10126	5.5
134.07309	1.3
135.08057	3.2
135.11736	2.0
137.09625	4.3
142.07848	0.7
143.08559	3.1
145.10138	4.7
147.08081	4.7
147.11713	1.8
149.09592	1.7
149.13255	1.1
151.11192	1.2
151.22456	0.7
155.10637	4.8
157.10182	2.7
159.11760	2.1
161.09688	1.9
161.13301	0.8
163.11261	1.4
165.09215	0.9
173.11743	14.6
173.13184	1.3
175.11244	1.6
177.12796	1.0
184.07384	2.7
189.11240	3.0
200.60234	0.8
205.12250	1.1
211.13329	1.5
223.13297	15.4
227.12718	3.8
229.14355	70.3
230.14868	1.4
245.19092	1.1
249.14917	2.8
249.50494	0.7
253.14433	2.0
273.18518	12.8
291.19553	73.3
292.20020	2.4
347.22278	2.1
365.23242	38.4
370.09329	0.8
399.23898	1.6
421.25562	2.3
425.25250	1.0
439.26929	3.0
475.30600	1.1
500.98932	0.9
501.32132	3.2
519.33203	100.0
520.33350	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	715.3512
Annotation	Unknow
Peak:m/z	Relative Intensity
50.59180	0.4
53.03947	0.6
55.05520	0.9
56.96555	0.5
57.03438	2.0
59.04985	0.7
60.93122	0.4
61.02929	4.9
67.05509	4.3
69.03426	2.9
69.07069	1.4
69.21852	3.7
71.01341	0.5
71.05000	1.2
73.02927	3.6
76.31222	0.5
77.40665	0.4
79.05501	2.3
81.03428	4.2
81.07066	3.8
83.04996	1.0
83.08638	1.3
85.02910	4.5
85.06554	0.7
86.11116	0.3
87.04481	0.6
91.03949	2.9
91.05482	4.2
93.07046	2.5
95.04984	1.8
95.08622	1.7
97.02887	4.4
97.06545	1.0
97.19771	0.4
98.20702	0.8
99.04466	0.9
101.02405	1.7
103.03989	0.5
105.07059	3.5
107.04974	0.8
107.08597	2.9
109.02910	0.9
109.06548	1.0
109.10143	3.3
111.08109	0.7
115.03947	0.5
119.08582	1.5
121.06496	0.4
121.10104	1.8
123.04402	0.5
123.08105	0.4
123.11729	1.1
127.03931	1.5
129.07030	0.6
131.08580	1.1
133.10132	5.0
139.03966	0.4
140.55237	0.4
145.04988	0.8
145.10204	0.5
147.08090	0.4
147.11732	1.2
149.09654	1.8
151.11237	1.8
157.10123	1.0
159.11723	0.4
163.04022	0.5
175.11244	0.8
185.04344	0.6
193.12308	1.7
203.05353	0.9
211.13536	0.5
225.14803	0.5
237.11079	2.2
243.08528	1.6
253.14406	0.9
255.10968	1.0
267.09253	0.5
267.15967	1.4
269.12482	1.2
271.15417	0.4
273.11945	0.8
283.15219	3.0
293.13559	0.9
339.18024	0.7
451.19504	1.5
455.18845	10.4
467.19043	0.4
469.20349	1.0
471.22076	0.6
501.23035	8.5
503.26587	0.7
553.29584	0.4
633.65167	0.4
643.32440	0.4
665.31036	5.8
683.31427	1.6
697.33801	2.7
715.35095	100.0
716.35370	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	715.2349
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03967	0.4
55.05488	0.4
65.03938	2.1
65.63745	0.3
67.05521	0.4
68.99771	0.3
69.07051	1.0
70.06573	1.0
70.27922	0.6
70.28312	0.8
72.08160	0.6
72.22672	0.3
73.86351	0.3
79.05486	0.6
81.03399	0.3
81.07035	0.7
82.06571	1.0
85.02902	0.6
89.03920	1.5
92.05010	3.8
94.06576	1.0
95.04952	0.5
96.04489	0.4
96.08119	0.6
97.02910	0.4
107.04980	0.3
110.06044	1.3
111.04484	0.4
112.07594	0.8
117.03380	1.0
120.04470	1.9
120.05199	0.3
120.08163	0.7
122.06043	1.7
123.04441	0.6
124.07603	6.9
135.04427	3.8
136.07541	0.6
137.02313	0.4
138.05511	6.5
140.07047	2.7
141.07863	1.5
142.08638	53.9
145.02844	1.7
147.04404	0.3
153.05469	0.5
154.08643	1.1
161.04700	0.7
162.05481	0.9
163.03914	24.6
164.04234	0.4
167.07071	0.5
177.05461	0.5
188.03432	94.0
189.03792	1.3
192.06522	0.5
199.58527	0.3
206.04494	43.7
207.04816	0.5
216.10280	1.9
217.13507	0.8
220.06059	0.9
243.11269	1.6
244.09708	1.2
252.06723	0.4
253.07404	0.7
256.09735	0.4
261.12347	11.6
266.08142	0.4
278.08179	0.7
279.13422	3.3
281.06818	1.3
282.07697	0.5
284.09354	0.6
294.07727	0.9
301.11780	0.4
304.06110	0.9
306.07480	0.3
308.05499	1.1
309.06320	6.0
310.07425	0.4
311.10214	1.0
322.07162	2.6
324.08768	0.5
329.11325	100.0
330.11615	1.3
337.09351	0.5
342.10779	0.4
343.11334	0.6
347.12393	1.9
350.06577	1.5
351.07260	0.8
355.10211	2.3
361.13934	12.7
361.18442	0.7
370.13815	1.6
382.09232	0.9
449.13571	0.4
473.13010	0.4
491.14514	4.0
496.12210	0.5
523.17084	5.4
526.12842	0.4
631.40851	0.3
715.27985	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	714.5514
Annotation	Soyacerebroside I
Peak:m/z	Relative Intensity
53.03944	1.1
55.05516	5.6
56.05057	3.6
57.07083	3.0
58.02959	0.5
58.06585	0.9
60.04516	1.6
65.03944	0.9
67.05508	12.1
68.05021	1.0
69.03427	1.1
69.07072	8.1
70.06604	2.3
71.01939	0.8
71.08634	1.8
79.05495	9.0
80.05025	3.0
81.03415	0.6
81.05801	1.3
81.06592	0.7
81.07063	10.1
82.06577	7.7
83.08629	4.6
85.02910	2.3
85.10174	0.7
87.70898	0.4
91.05488	7.5
93.07050	9.6
94.06569	18.4
95.04961	0.8
95.07351	8.0
95.08607	8.3
96.08144	5.9
96.63420	0.4
97.02909	0.8
97.06482	0.5
97.10180	2.7
100.07614	0.5
105.07028	6.4
107.08611	5.2
108.08138	3.2
109.10165	3.7
111.11700	0.8
119.08593	5.3
121.08842	0.7
121.10143	5.9
122.09660	2.2
123.11686	1.2
127.03879	0.6
133.10135	3.2
135.10580	0.4
135.11725	3.5
136.11205	1.0
147.11710	1.5
149.13274	0.9
151.14813	0.8
156.17465	0.4
161.13239	0.6
163.14832	0.5
175.14845	0.5
184.07388	0.9
233.22691	2.9
234.22168	0.5
245.22612	5.0
250.25351	8.0
254.24831	0.7
262.25308	100.0
263.23398	0.6
263.25818	1.0
272.25836	5.1
280.26318	6.4
442.31610	0.5
504.47839	6.2
516.47797	32.6
517.48151	0.8
518.49286	5.4
534.48859	23.0
535.27673	0.5
535.48938	0.7
644.23706	0.4
696.42438	0.8
696.53961	7.5
711.17163	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	712.4632
Annotation	Unknow
Peak:m/z	Relative Intensity
51.28904	1.5
53.03948	2.4
54.73292	1.5
55.01861	5.3
55.05514	16.9
57.03443	16.9
57.07066	7.2
61.02928	2.7
65.03931	2.1
67.05508	57.4
69.03426	3.8
69.07076	14.0
71.04979	4.2
71.08619	2.6
73.02903	1.7
77.17019	1.7
79.05083	2.8
79.05502	45.0
81.03403	3.5
81.06592	3.1
81.07059	42.2
81.08504	1.6
81.22379	1.6
83.04980	13.2
83.08612	7.6
85.02877	1.7
85.06524	3.0
91.05476	24.6
93.06488	3.5
93.07050	56.8
95.04961	4.0
95.08612	36.5
97.02919	2.0
97.06555	10.0
97.10175	9.9
98.20612	3.4
105.07006	10.4
107.04948	2.5
107.08602	39.3
109.10156	18.7
111.08067	3.6
117.06989	5.7
119.08599	15.5
121.10152	15.5
123.08044	1.9
123.11694	3.9
131.08554	5.8
132.68126	1.8
133.10149	11.1
135.11703	45.3
137.09660	2.0
145.10167	12.1
147.11670	3.3
149.13284	6.2
153.12738	6.2
159.11697	4.2
163.11147	4.9
181.12216	10.5
184.07330	3.8
187.14853	1.9
227.12752	2.9
255.15936	67.2
256.16602	1.9
261.22162	13.3
282.62799	2.0
311.63318	1.9
317.24905	2.6
335.25803	58.0
336.26007	2.1
423.32834	2.6
467.37305	4.6
515.37347	100.0
516.37695	3.1
533.38123	2.8
674.47040	2.3
712.43433	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	711.3224
Annotation	Unknow
Peak:m/z	Relative Intensity
51.65376	0.7
53.03948	1.3
55.01850	0.9
55.05502	2.6
57.03440	1.5
57.07071	1.0
65.03945	6.6
67.05507	6.8
69.03427	2.5
69.07082	3.6
70.00531	1.7
70.00917	1.7
79.05483	4.3
79.11199	0.8
81.03423	7.7
81.07046	5.3
82.03781	1.0
83.04984	2.8
83.08617	3.3
85.02876	1.9
85.06557	0.9
86.09730	1.0
91.05484	17.4
93.03414	5.7
93.07046	3.1
95.04977	3.4
95.08625	5.5
97.02894	100.0
97.06526	2.6
97.10217	1.5
99.08136	0.9
103.05476	1.3
105.03367	1.0
105.07035	2.7
107.04998	1.4
107.08610	5.3
109.06520	2.8
109.10159	18.2
111.04482	0.8
111.08082	1.3
115.05458	0.9
119.04949	21.4
119.08588	7.2
121.02879	2.7
121.06531	0.9
121.10138	2.6
123.04423	4.7
123.08087	1.9
123.11773	1.0
125.02415	0.9
127.11250	0.8
129.06993	1.7
131.08571	2.9
132.02092	1.0
133.10164	4.6
135.11699	14.3
137.05939	0.9
137.09622	2.6
139.03944	2.3
140.04704	2.1
141.06990	2.3
144.05742	2.0
145.06569	1.0
147.04416	21.4
149.02353	12.5
149.13208	1.6
151.11195	1.2
151.14841	1.1
154.06224	2.0
155.07045	2.6
157.04002	2.5
157.06505	0.8
157.10191	0.8
159.08058	3.8
163.03882	3.6
163.11156	0.8
167.03407	52.9
169.06502	3.1
175.03917	41.5
175.11179	0.9
175.14821	4.7
177.05411	1.2
179.07068	2.0
181.04999	3.3
184.07402	2.4
187.07504	7.9
191.07054	1.3
193.12213	2.5
193.15878	9.9
194.12621	1.1
197.05954	2.4
199.07748	0.9
201.09100	5.5
207.06532	94.8
208.06944	1.4
211.13470	1.0
211.16943	24.0
214.06351	0.9
215.07068	3.1
217.05183	0.8
218.09444	1.4
219.06541	2.9
219.10143	5.1
229.08592	5.8
243.06619	1.6
243.10167	1.4
247.09749	4.1
257.08136	4.1
259.05994	0.9
266.08859	0.8
267.15945	5.6
268.16214	3.5
275.09119	19.7
285.16971	1.3
286.17465	0.9
303.04993	3.9
303.08682	7.1
321.09702	34.6
339.10751	10.4
369.12012	1.9
405.08124	1.0
450.71671	1.0
459.27353	2.8
460.27847	6.7
477.28436	3.5
478.28638	7.4
549.19812	1.6
711.30792	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	711.3198
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.9
55.01866	1.6
55.05501	2.6
56.96545	0.7
57.03438	3.0
57.07068	0.7
61.02929	5.0
61.87184	0.5
64.59511	0.5
67.05509	8.6
67.81087	0.6
69.03425	3.1
69.07058	2.5
70.06583	0.9
71.01344	0.9
71.04978	2.2
71.53168	0.7
73.02930	3.9
79.05123	0.6
80.05804	0.7
81.03413	4.9
81.07060	6.8
83.04971	2.6
83.08607	1.7
85.02911	5.2
85.06525	0.6
86.03252	0.6
87.04447	0.8
91.03950	3.3
91.05479	6.0
93.07041	5.4
95.04979	3.1
95.08610	4.5
97.02898	5.7
97.06523	2.1
97.10167	1.0
99.04439	1.3
101.02367	1.8
103.49105	0.7
105.07032	5.1
107.04915	1.3
107.08578	3.9
109.02892	1.3
109.06512	0.9
109.10161	5.5
110.10514	0.8
111.04450	1.2
111.08082	0.9
115.03908	0.7
119.08561	2.3
121.06524	1.2
121.10178	3.0
123.04400	0.6
123.08118	0.7
123.11697	0.8
125.09605	0.8
127.03954	1.4
127.11189	0.6
129.05461	1.2
129.07016	0.9
131.08566	1.8
133.10152	4.0
134.10463	0.8
135.08110	0.6
135.11710	3.5
139.03893	1.7
143.08571	0.8
145.04945	0.7
145.10118	2.2
147.11664	1.8
149.09590	1.4
151.11082	0.8
157.10100	0.7
158.18362	0.6
161.05994	0.7
163.03865	1.4
163.11151	3.5
175.11157	0.7
181.04668	0.7
181.12227	1.1
184.07326	1.7
185.04218	2.6
191.03397	0.6
191.10591	0.9
193.12241	1.5
199.06065	0.7
201.03682	1.1
211.13312	0.6
219.09853	0.6
227.12794	2.9
229.07532	0.9
229.14355	1.3
243.08411	4.6
249.10960	10.8
251.12527	1.1
253.14368	3.9
254.14713	2.6
259.05930	1.2
267.15921	2.8
268.16263	1.8
271.15375	1.5
275.12549	2.1
283.15213	0.8
289.11148	0.7
289.13989	2.6
301.09006	9.0
305.13626	1.4
315.10486	2.0
324.75784	0.6
341.11932	0.7
347.14557	4.6
355.14264	0.7
357.15344	0.8
365.15796	1.7
371.16742	2.8
373.11038	5.1
383.16779	2.4
385.18228	3.6
387.12491	1.2
393.15118	4.4
401.95041	0.6
413.17920	1.3
418.32315	0.6
421.08929	0.8
424.27612	0.8
427.19000	0.7
431.24161	1.9
438.25732	0.7
443.18988	5.1
446.26065	1.4
457.20544	1.2
463.26797	2.0
464.27173	3.6
465.20914	2.6
467.18869	13.7
485.19617	3.0
487.21326	1.1
495.29520	0.8
496.29636	1.9
526.20264	5.7
539.20776	6.1
539.34814	0.6
553.22406	1.0
567.23981	1.5
581.25391	0.9
609.28857	3.8
610.29468	4.3
639.29761	5.6
649.31500	1.2
653.31708	3.5
665.30688	1.2
667.32330	0.9
693.30963	3.7
694.32013	1.1
711.32220	100.0
712.31659	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	711.2495
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	0.8
55.05484	2.1
56.96530	0.6
57.03408	2.0
57.07076	14.6
65.03907	0.7
67.05508	10.7
68.05832	0.7
69.03414	1.6
69.07054	1.3
70.06573	0.6
70.64191	1.5
71.04971	0.9
73.02877	1.1
79.05479	2.7
81.03412	4.6
81.07063	5.2
83.04961	1.1
83.08626	5.2
85.02911	4.8
85.06527	1.0
85.10143	0.6
86.09687	1.6
91.02901	0.5
91.03929	1.2
91.05487	3.3
93.07042	2.6
95.04944	2.2
95.08584	1.6
97.02909	3.0
97.06485	1.0
98.09302	0.6
98.97559	0.8
103.03937	1.3
103.08146	0.6
103.82822	0.6
105.06994	2.5
107.04949	1.4
107.08560	2.0
109.02840	0.8
109.10160	25.7
110.10469	0.8
111.08089	0.8
117.06997	0.7
119.08589	1.5
121.06492	0.8
121.10126	1.3
123.04416	1.2
124.99992	1.3
127.03958	0.9
127.11194	3.2
131.04926	0.7
131.08551	1.2
133.10107	1.4
135.04362	1.1
135.11639	1.2
137.05969	0.7
139.03877	1.9
145.04893	0.5
145.10081	1.1
147.04338	0.6
147.11676	1.0
149.09599	0.6
153.01808	1.0
157.10115	0.9
161.09575	0.6
163.03886	2.9
163.11188	1.6
163.78561	0.6
167.03439	1.2
175.03864	0.6
175.11113	0.6
177.05476	0.7
184.07344	4.8
187.03867	0.7
193.12239	2.0
201.05446	1.0
203.03374	0.7
205.05020	0.8
207.06602	0.8
211.13272	1.0
215.03345	1.1
217.04953	1.8
221.08043	0.6
228.04141	1.3
229.05013	1.1
229.14223	1.4
233.04398	3.8
239.03532	1.0
243.02838	1.4
245.04521	2.9
246.05226	2.8
249.04021	0.8
253.05029	1.2
256.03650	3.4
257.04504	6.9
259.05972	1.5
260.03168	2.2
261.03998	7.6
267.02911	0.9
267.09094	1.6
267.15887	2.1
271.05804	1.0
273.03937	43.9
274.04715	15.4
275.05371	0.7
281.04459	1.9
285.03961	27.6
285.10181	1.3
287.05493	4.2
294.04977	0.6
295.06015	2.0
297.04007	3.1
298.04709	1.9
299.05460	4.6
301.03506	2.0
303.05002	100.0
304.05588	0.9
309.04071	1.2
313.03433	1.6
313.07089	5.6
315.05032	2.0
323.05481	2.7
325.02948	0.7
327.01114	1.2
327.04999	25.1
333.06226	0.7
339.05069	0.7
341.06531	3.0
345.06256	0.6
351.04889	6.1
356.46140	0.6
357.06085	6.2
369.06064	11.0
387.07129	12.4
405.08197	26.1
423.09171	2.1
428.14569	0.6
437.25357	0.8
446.26181	1.0
463.27078	0.7
464.27328	0.8
467.19000	1.2
477.28842	0.6
496.29813	1.2
513.17548	2.4
531.18677	9.2
531.26428	0.4
549.19678	81.5
550.20074	1.5
693.30713	2.5
711.34149	18.8
742.15717	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	711.1709
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01847	2.3
56.05011	2.1
65.03923	1.2
68.70759	0.7
68.99769	1.7
69.03397	0.6
70.06561	1.6
70.17963	1.9
72.08144	0.9
74.02433	1.2
79.05470	1.1
81.03391	1.0
81.07019	0.8
83.04990	3.3
84.04498	0.7
84.08120	2.2
85.02889	2.7
86.09673	1.5
87.05569	1.9
88.03979	1.3
89.03891	1.4
91.05455	1.3
95.04945	1.5
97.02895	1.3
97.31283	0.6
98.06010	2.2
103.05481	0.9
105.03367	0.9
107.04928	1.1
107.08623	0.6
109.02820	0.9
111.00804	0.6
111.04420	2.5
115.05421	0.7
117.03365	1.0
119.04940	3.3
120.08108	6.7
121.02856	0.9
123.04431	20.1
123.05323	1.0
127.03892	0.9
129.07095	0.5
130.08588	1.0
132.14755	0.8
133.05092	0.7
133.06093	6.2
135.04388	2.0
137.02301	1.1
137.05952	0.7
139.03909	39.2
141.07018	0.8
145.02872	1.1
147.03616	0.5
147.04427	6.1
147.11365	0.8
151.02779	0.9
151.03908	14.4
153.05515	0.7
163.03905	21.4
165.05473	1.7
169.04984	4.7
169.06300	1.0
173.05995	0.9
175.03908	1.7
177.05487	2.0
181.05016	0.6
182.89900	0.7
187.07570	1.0
189.05386	0.8
190.05347	3.5
191.03366	1.1
195.08766	2.1
197.05991	0.8
201.05455	1.2
203.03407	3.9
212.88969	0.6
213.05508	1.8
215.06979	1.5
217.04762	0.9
223.07744	0.9
225.05357	0.7
227.06921	0.9
229.04953	7.9
230.05624	0.7
235.07632	1.3
235.10919	1.1
237.05380	0.7
239.06921	0.6
241.04834	0.9
241.08440	0.9
242.05620	0.9
245.04427	11.9
245.06738	0.9
246.14876	1.0
246.65163	0.8
247.07541	1.6
249.09138	0.9
251.07050	0.8
253.05029	0.9
257.04456	100.0
258.05081	4.1
259.05994	19.3
261.09076	0.8
263.06985	2.7
264.07867	4.4
265.09711	1.8
266.05649	0.8
267.11276	1.9
269.04465	3.4
270.05164	1.7
271.05792	5.0
273.03888	1.8
275.07040	2.6
277.08557	1.9
279.06628	3.1
281.04489	1.3
282.05142	1.4
283.05850	1.3
285.04120	0.7
285.07544	2.8
287.05338	5.2
289.08600	1.2
291.06470	5.5
292.07294	7.1
293.08588	2.3
295.06036	2.1
299.07166	1.4
301.06931	9.2
303.06555	4.2
305.07993	4.2
307.05804	1.0
309.07733	1.1
313.11871	0.6
315.06610	1.4
316.07327	1.3
317.08075	4.7
319.06055	2.7
320.06848	1.1
321.04321	0.8
321.07568	3.8
323.09177	1.2
327.06537	3.0
329.08020	2.8
331.06006	2.2
332.06879	1.0
333.07675	2.0
334.45779	0.6
335.05496	1.1
335.09341	1.1
337.06845	3.0
337.14432	0.9
339.06342	1.1
339.09900	1.9
343.05960	0.8
345.07571	8.3
346.08450	0.8
347.09204	1.4
348.06363	1.4
349.07114	3.2
355.06107	1.6
355.15381	0.9
357.07535	6.3
357.16800	0.8
360.06320	0.8
361.07190	2.3
363.08701	1.6
367.06064	0.9
369.08008	0.7
373.07117	8.2
374.07739	1.9
375.08664	2.7
377.01453	1.0
379.08301	4.9
385.07153	4.4
386.07935	2.1
389.07236	0.7
389.08307	0.8
389.13394	5.7
391.08145	47.5
401.06699	0.8
402.07422	1.1
403.08157	27.9
404.08398	1.1
407.07816	2.9
409.09189	62.3
410.09476	1.8
415.07980	2.2
421.09195	9.1
433.09235	1.6
452.14548	0.8
525.11456	0.9
541.11304	17.3
543.12848	12.4
549.17188	0.7
555.12878	2.5
559.12408	22.5
647.34357	1.9
679.50800	0.7
693.15845	2.4
711.16992	40.4
711.34338	4.8
712.16913	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	710.3959
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	1.6
55.01873	3.1
55.05510	5.4
56.69488	0.5
56.96576	0.4
57.03439	5.6
59.04993	0.5
61.02927	0.9
65.03934	1.0
67.05505	22.4
68.05821	0.6
69.03432	3.4
69.07069	6.3
71.04995	3.5
71.52372	0.6
73.02914	0.6
75.41839	0.4
79.05492	10.9
79.34658	0.4
81.03421	30.4
81.07059	17.4
83.04993	6.2
83.08618	7.2
85.02899	2.5
85.06522	2.9
86.09692	1.0
91.05482	20.2
93.07046	10.2
95.04967	9.9
95.08617	4.3
97.02890	2.1
97.06528	2.1
97.10177	1.2
98.97601	0.5
99.04465	1.8
99.08092	0.8
105.07035	16.6
107.04965	2.8
107.08595	15.8
109.06525	3.1
109.10161	32.5
111.04427	1.4
111.08076	3.6
113.06011	1.8
115.07565	0.5
117.06994	1.2
119.08578	4.9
121.06509	1.0
121.10133	2.8
123.04446	1.1
123.08076	1.0
123.11709	4.4
125.00003	0.4
125.09619	1.4
127.03895	0.5
127.07543	1.8
129.07031	3.2
131.08577	4.5
133.06432	1.3
133.10136	40.7
134.10522	0.8
135.08046	1.0
135.11681	1.4
137.06013	0.5
137.09605	1.7
139.03909	0.6
142.07780	0.6
143.08600	0.8
145.10106	0.8
147.08046	1.2
147.11678	2.9
148.95992	0.4
149.09636	1.7
151.11189	22.7
157.10152	4.3
161.09605	1.7
163.03903	1.1
163.11191	1.7
165.12758	0.6
169.12231	3.2
175.11156	3.3
179.10684	1.6
184.07343	3.2
193.12256	13.5
194.12660	0.7
197.11765	0.7
199.12605	0.4
200.56253	0.4
211.13301	3.2
215.12762	1.3
227.12648	0.6
229.14264	0.7
235.40677	0.5
249.14842	0.8
253.14357	100.0
254.14682	1.5
267.15912	39.0
268.16235	1.0
271.15411	23.2
283.15408	0.8
285.17032	1.1
309.16888	0.5
371.22040	1.4
389.23373	0.9
404.99625	0.5
437.25293	1.1
441.27386	0.6
444.87854	0.6
445.25854	20.4
463.26932	53.9
464.27148	1.3
477.28424	0.9
481.27673	1.1
495.29333	3.0
505.27750	1.9
513.29572	0.7
528.10187	0.5
571.28888	0.6
710.34747	0.6
711.33875	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	709.1971
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	0.2
56.96555	0.3
63.02378	0.3
65.03941	0.5
65.09330	0.2
67.05494	0.5
69.03436	0.5
71.04956	0.3
71.52265	0.3
79.05473	0.9
81.03411	0.3
83.04982	2.4
85.02901	0.9
89.03919	6.0
93.03390	0.9
95.04978	0.6
99.00801	0.3
101.88371	0.2
107.04980	1.7
111.04442	3.3
117.03384	7.4
121.02837	0.6
121.88151	0.2
123.04443	0.5
129.05466	1.3
135.04417	15.1
137.02321	0.3
139.03915	2.2
143.00105	0.3
145.02849	11.1
145.03906	0.4
151.99576	0.2
156.75172	0.2
157.04964	1.5
163.03903	100.0
164.04269	1.5
175.06010	1.3
205.06549	0.4
221.05910	0.3
223.07579	0.7
226.98589	0.3
233.06052	0.5
237.00618	0.4
250.05850	0.3
251.07057	1.5
255.06435	0.3
261.05518	0.3
267.42719	0.2
269.08029	0.5
273.03046	0.3
273.06058	0.6
279.06500	2.2
283.05957	0.5
295.06116	0.8
296.06494	0.4
297.07501	1.7
298.07867	0.2
307.05933	0.5
313.07254	0.3
319.08264	0.7
325.07108	1.9
337.09177	1.0
343.08090	0.6
355.10013	1.1
374.07617	0.4
447.11249	0.9
455.63068	0.3
499.12436	2.3
518.35565	0.2
518.76886	0.2
563.07050	0.8
722.05054	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	708.481
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05498	0.2
56.05024	0.7
57.07069	0.4
58.06613	0.5
59.07373	0.2
60.08164	6.5
60.08473	0.3
64.77314	0.2
67.05515	1.1
69.07066	0.2
71.04993	0.3
71.07375	3.7
71.08581	0.4
79.05485	0.4
81.07041	0.5
83.08621	0.4
85.10146	0.2
86.09706	32.6
87.10022	0.2
91.05446	0.4
93.07034	0.6
95.04964	0.2
95.08607	0.3
98.20684	0.3
98.98464	2.7
104.10751	2.0
105.07040	0.2
107.08603	0.2
109.10162	0.4
119.08543	0.3
125.00004	21.3
131.91707	0.2
133.10136	0.2
142.84474	0.2
143.01015	0.2
179.40898	0.2
184.07338	100.0
185.07664	0.5
241.85866	0.2
246.14258	0.2
313.27383	0.4
467.37457	0.5
496.33682	0.2
511.40125	0.2
676.45160	0.9
708.48120	9.3
709.48218	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.4361
Annotation	Unknow
Peak:m/z	Relative Intensity
50.97167	2.4
53.03944	7.6
53.93794	1.9
55.01868	5.2
55.05513	25.4
57.03440	15.4
57.07074	3.0
59.04999	2.3
61.02920	7.2
64.84502	2.2
65.03931	4.0
67.05506	100.0
69.03432	18.0
69.06776	2.1
69.07075	21.1
71.04996	33.2
71.52321	3.6
73.02903	4.7
73.46561	2.3
77.03918	2.4
79.05494	47.6
81.03423	32.9
81.06593	3.1
81.07061	55.8
83.04977	16.7
83.08632	10.7
85.02898	10.5
85.06531	6.9
86.09691	8.9
91.03960	2.7
91.05487	60.9
93.07043	56.6
95.04980	12.8
95.08617	41.2
97.02889	15.1
97.06533	10.9
97.10172	4.8
99.04480	5.4
99.08115	3.3
103.05450	2.5
104.10730	9.7
105.04530	2.8
105.07037	46.1
107.04960	4.5
107.08603	32.2
109.02871	4.8
109.06511	6.6
109.10166	48.8
111.04435	3.8
111.08083	8.1
115.05511	3.8
117.07040	18.9
119.08592	37.7
120.08980	2.2
121.06519	6.6
121.10162	19.4
123.08085	4.4
123.11765	3.9
125.00005	5.3
125.09644	4.3
127.03930	5.0
127.27362	2.3
128.06210	3.9
129.05495	4.7
129.07007	16.2
131.08578	38.0
133.06482	4.8
133.10135	34.4
135.08090	6.6
135.11710	19.8
137.09608	8.2
139.11189	3.9
141.07001	4.3
143.08562	20.0
145.06482	3.3
145.10139	30.3
147.08121	4.5
147.11711	16.5
149.09601	5.3
149.13274	5.5
151.11145	6.3
155.08569	9.1
157.10139	18.3
159.07980	2.2
159.11687	18.7
161.09633	5.6
161.13281	9.2
163.11177	3.8
165.06975	2.1
167.08531	5.2
168.09389	3.1
169.10130	9.4
171.11732	18.6
172.08696	2.1
173.04489	14.8
173.09622	3.6
173.11751	5.9
173.13258	14.7
175.11147	3.1
175.14810	4.5
179.10747	3.5
181.10136	8.8
181.12285	3.7
183.11707	13.7
184.07356	17.0
185.09589	2.6
185.13280	11.5
185.89655	2.2
187.13249	3.7
187.14827	6.6
193.10150	3.7
195.11690	7.8
197.13272	6.9
199.11249	2.9
199.14844	5.1
207.11774	3.1
209.09668	2.9
209.13231	5.4
211.14886	4.9
221.13210	4.0
223.11040	2.6
223.14883	3.4
227.12788	2.8
229.14307	5.1
229.19576	2.7
239.18071	2.8
241.19519	4.7
243.15926	5.2
248.16481	2.2
255.15828	3.1
259.20541	16.3
261.22147	3.0
273.18625	3.9
285.22214	5.6
291.19525	5.6
325.21558	2.6
333.24316	12.2
335.25748	3.0
339.23114	3.6
367.22757	4.8
395.29529	2.6
397.30728	3.0
399.20084	3.3
421.31168	4.8
431.22528	4.3
440.39896	2.3
441.26096	3.1
471.34299	2.9
487.34268	26.3
489.35751	38.5
495.34558	3.7
513.28125	2.8
513.35803	46.3
519.36255	2.7
520.33972	3.2
527.37213	3.0
537.34125	3.2
545.38837	10.7
567.35986	3.1
579.19427	2.8
595.36267	3.2
621.38531	4.9
639.38605	7.5
653.40228	7.0
657.39648	7.1
671.40802	8.4
675.40668	14.8
689.42273	10.7
707.41364	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	706.4654
Annotation	Unknow
Peak:m/z	Relative Intensity
53.91473	0.1
55.05495	0.2
56.05031	0.9
57.03434	0.1
57.07059	0.4
57.30985	0.1
58.06629	0.5
59.07368	0.2
60.08165	6.7
67.05499	0.4
69.07066	0.2
70.06581	0.2
70.20697	0.4
70.21082	0.3
71.07374	3.7
71.08635	0.1
79.05495	0.3
79.34798	0.1
81.03419	0.3
81.07055	0.4
83.04969	0.2
86.09707	32.3
87.04465	1.1
87.10059	0.4
91.05467	0.3
93.07031	0.2
95.04951	0.2
95.08614	0.3
96.34611	0.1
98.98471	3.3
104.10751	2.4
105.07050	0.2
109.10165	0.2
121.06605	0.1
125.00008	21.7
143.00990	0.1
158.10602	0.1
166.02727	0.2
184.07341	100.0
185.07712	1.6
186.07819	0.5
249.70438	0.1
271.15408	0.2
272.04700	0.1
283.26346	0.1
285.17133	0.2
293.17834	0.2
345.26315	0.1
428.81009	0.1
434.07852	0.2
450.22610	0.2
496.33875	0.2
509.38336	0.2
609.26984	0.2
706.46521	12.6
707.48352	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	706.4002
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	4.9
55.01857	3.5
55.05514	15.0
57.03445	12.7
58.75114	1.4
60.08149	7.3
61.02918	1.6
67.05176	2.6
67.05507	28.2
68.05839	1.4
68.31450	1.5
69.03413	5.2
69.07066	5.6
71.04992	4.3
71.07364	2.1
73.02908	2.9
79.05499	20.9
81.03420	64.9
81.07059	24.1
83.04984	7.0
83.08635	17.3
85.02899	4.1
85.06493	1.6
86.09219	2.5
86.09708	31.4
91.03971	2.2
91.05475	23.5
93.07046	17.4
93.39914	1.3
95.04978	25.1
95.08614	11.3
97.02869	4.7
97.06509	4.0
97.10178	13.5
98.98451	2.3
104.10780	3.8
105.07032	15.8
107.04955	10.5
107.08595	11.6
109.02898	1.6
109.06522	8.1
109.10159	10.8
111.08080	7.3
117.07018	5.4
119.08584	14.3
121.06511	10.8
121.10138	8.2
121.72590	1.3
123.04444	4.1
123.08083	2.9
123.11658	2.5
125.00014	20.3
125.09637	9.4
125.79226	1.5
127.03877	1.9
129.06982	8.5
131.08556	11.1
133.06459	4.2
133.10162	6.7
135.08076	4.0
135.11693	3.1
137.09581	1.5
141.06984	1.7
142.07759	2.9
143.08569	2.3
145.06453	5.0
145.10178	6.7
147.04395	1.5
147.08041	5.7
147.11671	8.2
149.09602	5.1
151.11104	1.7
153.09108	1.9
157.06442	2.5
157.10123	11.5
159.08075	2.4
159.11693	2.1
161.09636	3.3
163.03983	1.9
163.11215	3.8
165.12794	1.5
171.10287	1.7
171.11668	3.2
173.09637	2.3
173.11719	1.5
173.13148	1.6
175.11195	8.4
183.11659	2.7
184.07353	100.0
189.11247	4.2
189.12814	2.4
193.12241	24.2
195.11665	2.1
211.13266	2.4
219.13660	1.7
223.59793	1.4
227.12701	1.6
229.64340	1.9
233.15424	3.0
249.14766	2.5
267.15927	78.9
268.16339	2.0
273.14819	4.4
283.15518	2.8
285.10117	1.8
301.16760	1.6
309.17044	1.6
339.22974	1.6
349.21402	3.4
357.24020	2.6
367.22748	10.6
385.23712	16.7
390.26056	1.4
403.24768	6.3
441.26266	5.8
459.27417	88.1
477.28525	59.6
477.33795	0.9
477.35510	1.7
491.30444	8.1
501.28290	3.9
509.27792	1.9
526.36133	1.8
543.36584	2.2
544.37134	11.4
555.29816	1.7
567.29541	3.5
606.34180	2.9
663.04926	1.8
670.40399	1.6
688.39893	3.9
706.42603	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	706.3634
Annotation	Unknow
Peak:m/z	Relative Intensity
50.79615	1.2
53.03940	5.7
54.73878	1.5
55.01873	13.0
55.05514	39.6
57.03441	24.1
57.07079	2.5
59.05011	6.3
60.02147	1.2
61.02928	9.4
65.03946	4.0
67.05508	90.8
69.03420	6.5
69.07071	10.9
69.54373	8.0
71.01350	4.4
71.04995	10.4
73.02921	6.9
79.05497	43.1
79.06184	1.3
81.03422	35.9
81.06588	2.5
81.07063	44.8
83.01335	9.8
83.04983	21.0
83.08620	24.3
85.02908	24.5
85.06535	5.6
87.04455	4.6
91.03945	5.5
91.04908	2.2
91.05486	36.9
93.06477	2.7
93.07047	39.3
95.04974	13.1
95.08607	21.0
97.02892	10.8
97.06534	9.8
97.10172	17.9
98.21487	2.7
99.04462	4.2
105.07032	20.9
107.04951	13.7
107.08601	25.8
109.02918	2.5
109.06558	8.4
109.10160	61.3
111.04462	5.4
111.08102	7.9
112.27911	1.3
113.06010	1.9
117.07020	12.2
119.08575	17.0
121.06510	4.1
121.10162	12.4
123.04447	2.7
123.08089	9.8
125.06011	3.1
125.09642	18.1
127.03862	2.6
129.05496	2.1
129.07033	6.2
131.08589	8.9
133.06517	1.8
133.10143	12.5
135.08049	4.1
135.11711	18.7
137.09613	3.3
139.07541	1.6
139.11313	1.2
140.86253	1.2
143.08543	2.3
143.10657	2.2
143.39365	1.3
145.06511	2.2
145.10133	21.9
147.08070	5.7
147.11679	5.0
149.05969	1.2
149.09602	3.6
151.07452	1.5
151.11206	2.8
153.12817	6.2
155.08592	2.5
155.10666	2.9
157.10185	3.8
161.09709	2.2
161.13332	1.4
163.11186	39.5
165.09119	1.7
171.11673	1.4
173.09633	5.2
173.11749	17.7
175.11195	3.8
181.12198	6.4
189.11253	2.7
189.91946	1.2
191.10632	7.1
193.12262	5.3
199.13365	6.7
209.11748	16.4
223.13307	1.4
227.12811	15.7
229.14359	46.2
253.14398	2.5
258.62698	1.3
267.15958	16.7
283.15405	74.5
301.16489	16.3
407.24298	2.7
425.25357	5.2
437.25433	29.0
451.26990	2.8
459.27441	30.6
477.28806	6.0
481.52145	1.3
491.25626	2.5
509.27414	100.0
510.05399	1.5
510.27298	2.2
527.28534	57.1
528.28558	1.5
700.22040	1.4
706.27289	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	706.364
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	5.6
55.01873	19.0
55.05269	3.4
55.05514	55.7
55.30962	2.3
56.96548	2.1
57.03443	24.0
57.07067	2.1
57.86214	1.9
59.04994	8.0
61.02919	9.2
62.29410	2.0
65.03931	2.8
67.05508	100.0
69.03424	8.0
69.06770	2.0
69.07076	18.3
70.00847	4.5
70.01241	5.7
70.06581	2.6
71.01349	7.0
71.04981	10.1
73.02936	10.0
79.05067	3.9
79.05499	49.7
81.03419	28.8
81.07061	58.3
83.01346	11.1
83.04977	21.8
83.08624	25.1
85.02895	21.8
85.06542	4.8
87.04469	4.8
91.03941	3.7
91.05482	38.9
93.04268	2.4
93.07045	43.4
95.04973	17.8
95.08610	25.6
96.04484	2.5
97.02894	16.8
97.06520	9.6
97.10164	17.0
99.04455	4.9
105.04527	2.4
105.07043	24.6
107.04974	17.7
107.08587	31.5
109.02898	2.8
109.06540	12.5
109.10161	69.9
111.04440	3.7
111.08096	8.5
117.07044	14.8
119.08597	20.8
121.06496	8.5
121.10165	18.7
123.08080	12.5
123.11726	2.3
125.09639	17.4
129.05533	2.9
129.07013	5.8
131.08559	10.3
133.10104	12.2
135.08072	5.6
135.11688	19.6
137.09610	4.2
139.03938	4.3
143.08495	2.4
143.10663	3.4
145.10152	23.6
147.08037	2.8
147.11684	3.6
149.09538	3.1
151.11140	4.3
153.12726	6.2
155.08545	2.6
155.10724	5.9
161.09624	2.0
163.11185	34.7
173.09613	7.6
173.11761	20.9
181.12259	8.4
184.07385	7.4
191.10651	5.2
193.12234	5.0
198.30859	1.9
199.13278	6.9
209.11716	24.3
227.12740	20.4
229.14342	49.9
253.14360	5.5
267.15891	8.8
283.15396	85.0
289.32181	2.0
301.16541	15.9
301.19482	2.3
425.25201	6.2
437.25342	31.4
451.26550	4.6
459.27350	7.1
465.27728	2.7
477.28436	9.6
495.29398	2.4
509.27380	98.8
527.28503	59.6
528.28827	3.0
697.92969	2.7
707.31366	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	706.3644
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	5.8
55.01877	9.9
55.05267	2.2
55.05512	26.6
57.03434	14.1
57.07080	1.9
61.02930	3.5
65.03958	2.3
67.05508	50.7
68.05845	1.9
69.03423	7.7
69.07073	11.5
69.32115	10.5
71.01359	3.0
71.04993	5.3
73.02912	4.2
79.05498	51.5
81.03419	48.3
81.06585	2.6
81.07061	39.4
83.01353	1.9
83.04980	17.9
83.08619	20.1
85.02902	7.6
85.06541	2.2
87.04491	2.4
91.05487	27.3
93.07046	57.5
95.04974	21.4
95.08609	38.6
96.04507	3.1
97.02898	14.9
97.06532	8.6
97.10168	7.9
98.20762	1.9
98.97577	1.4
99.04467	4.6
103.05483	1.8
105.04534	1.3
105.07030	24.0
107.04962	26.6
107.08601	37.5
109.02892	1.9
109.06542	6.0
109.10164	20.7
111.04453	10.2
111.08082	5.8
115.05481	1.6
117.07019	14.3
119.04943	1.2
119.08584	21.2
121.06506	12.4
121.10152	20.9
123.08070	4.9
123.11662	1.9
125.06025	3.6
125.09641	7.5
127.03892	2.6
129.07027	8.6
130.07748	2.0
131.08569	8.6
133.10144	11.1
135.08081	4.6
135.11691	44.0
137.09621	2.0
139.03957	1.7
139.07503	1.8
143.08575	3.1
145.06503	1.8
145.10130	31.6
147.08054	3.1
147.11685	12.3
149.09627	3.1
151.11211	2.5
153.12770	11.8
155.08574	2.8
155.10718	1.7
157.10150	3.1
161.09621	2.8
161.13324	2.5
163.11186	62.8
165.12833	1.8
171.11703	5.0
173.09631	4.8
173.11771	5.7
175.11218	3.4
181.12253	17.6
184.07335	1.7
191.07103	3.9
191.10654	11.5
193.12250	8.4
199.13306	5.4
207.13817	5.1
209.11731	11.9
211.13373	1.9
227.12793	100.0
229.07474	3.4
229.14417	11.5
253.14415	1.9
265.14380	12.7
267.15921	21.8
267.63040	1.3
281.17490	18.8
283.15399	66.2
299.14944	2.2
301.16464	5.1
311.95679	1.3
435.19058	1.4
437.25339	26.1
459.27487	4.4
468.16568	1.3
473.29169	59.0
474.29367	1.8
477.28290	2.4
491.20206	1.4
491.26166	7.4
509.27463	23.3
515.30292	1.4
527.28406	11.9
552.66583	1.4
602.26361	10.0
709.14862	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	706.365
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	4.2
55.01873	11.2
55.05514	22.1
57.03200	1.4
57.03440	15.2
57.07071	1.6
59.04992	1.7
61.02904	3.6
65.03935	1.5
67.05506	33.9
69.03419	5.0
69.07066	10.1
71.01338	2.0
71.04979	3.7
72.08175	1.2
73.02912	4.8
73.07722	1.0
76.03407	0.9
76.39670	0.9
79.05497	39.6
79.49437	1.0
80.06255	1.3
80.58204	1.0
81.03419	25.6
81.07059	30.2
82.04183	2.8
83.04977	13.4
83.08157	1.4
83.08622	16.4
85.02924	4.9
85.06539	2.4
86.09703	1.4
89.23269	1.1
91.03979	0.8
91.05481	21.7
93.07045	48.8
95.04979	17.4
95.08607	36.3
96.08976	1.1
97.02894	8.1
97.06542	6.2
97.10164	10.3
98.07303	2.9
99.04468	3.8
103.05453	1.2
105.07040	16.6
107.04292	1.4
107.04965	16.4
107.07869	1.9
107.08601	36.3
109.02841	1.4
109.06505	4.1
109.10168	12.8
111.04427	4.2
111.08051	4.2
113.83572	1.0
115.05424	1.1
116.04705	8.5
117.07008	10.5
119.07813	1.5
119.08594	20.8
121.06506	8.0
121.10136	17.0
123.04430	1.8
123.08057	3.4
125.05973	3.2
125.09635	8.0
129.05493	16.6
129.06982	6.3
130.07773	2.4
131.04921	1.3
131.08556	4.4
133.10150	6.9
133.78067	0.9
135.08041	4.1
135.11702	48.3
136.12035	1.1
137.09621	2.5
139.03894	1.2
139.07553	1.8
143.07057	5.1
143.08554	1.5
143.10779	1.1
145.06480	1.3
145.10129	30.0
147.08046	2.7
147.11671	7.5
149.09622	1.7
153.12753	5.7
155.08530	1.2
157.08594	8.4
157.10063	2.9
158.05746	1.6
161.09645	1.0
163.11186	66.2
164.11705	1.7
165.12708	1.7
171.06537	1.1
171.10136	3.5
171.11713	2.7
173.09613	4.0
173.11699	2.3
175.11179	4.0
181.12234	15.8
184.07280	2.8
189.11200	4.3
189.12747	2.0
191.10695	5.1
193.12238	4.4
199.13335	5.5
200.14130	2.0
207.13779	2.0
209.11732	9.2
227.12788	100.0
228.13391	1.3
229.05298	1.3
229.07405	1.2
229.14331	5.8
255.16045	1.6
265.14313	4.4
267.15909	15.4
281.17465	11.5
283.15405	82.1
299.14786	2.2
301.16458	62.8
302.16797	1.8
311.37271	1.1
337.16537	2.1
350.22009	1.0
407.24261	2.2
437.25305	10.1
459.27206	1.2
473.29166	22.9
475.27039	6.6
477.28619	2.2
491.26251	4.8
492.27173	10.4
509.27448	90.3
510.27661	2.9
527.28375	4.0
602.26630	6.7
632.11365	1.1
647.52521	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	705.4209
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.9
55.01865	3.4
55.02100	0.7
55.05272	0.9
55.05516	15.0
55.25641	0.7
56.68408	0.7
57.03441	5.0
57.07082	1.0
59.05006	0.8
61.02641	1.1
61.02928	12.1
65.03936	1.5
67.05510	24.6
69.03430	7.4
69.07071	7.3
70.06631	0.7
70.51394	0.6
71.01345	1.0
71.04992	3.3
71.52792	1.0
73.02914	3.8
73.50301	0.8
79.05496	17.4
81.03423	8.7
81.07063	20.2
83.04975	3.1
83.08627	7.7
85.02912	10.0
85.06542	1.6
91.03982	4.2
91.05488	14.6
93.07054	14.5
95.04967	7.7
95.08607	13.0
97.02904	7.1
97.03465	1.4
97.06520	2.9
97.10175	9.0
99.04442	1.8
101.02385	1.2
105.07032	12.8
107.04952	3.1
107.08603	13.1
109.02876	0.9
109.06521	2.3
109.10157	8.2
111.04477	1.2
111.08093	1.8
115.03900	0.9
115.05473	1.3
117.07014	9.4
119.04927	0.8
119.08591	10.7
121.06524	4.8
121.10143	4.7
123.08064	3.2
123.11740	1.7
125.09634	7.4
127.03924	2.3
128.06242	2.1
129.07014	6.4
131.04951	0.9
131.08582	14.6
133.06499	2.1
133.10130	7.9
135.08051	2.9
135.11725	2.4
137.09610	2.7
141.06990	2.8
142.07811	1.7
143.08571	7.2
145.05026	1.0
145.06494	3.1
145.10127	11.6
147.04329	0.8
147.08032	1.9
147.11673	4.5
149.09628	2.8
151.11206	1.4
153.09142	1.3
155.08569	5.8
156.09372	0.8
157.06609	1.2
157.10149	8.4
159.08092	2.5
159.11723	9.5
161.09660	1.9
161.13275	2.1
163.11186	1.7
167.08598	2.3
169.10143	4.9
171.08032	1.9
171.11684	8.3
173.09630	2.5
173.11911	0.7
173.13335	3.9
175.11235	1.7
175.14764	0.9
177.12813	1.4
179.08539	1.4
181.10175	3.0
183.11720	5.0
184.07378	2.3
185.09695	1.6
185.13216	4.7
187.11198	1.6
187.14819	2.5
189.11227	3.3
189.12819	1.3
193.10210	0.9
193.12390	1.2
195.11713	3.5
197.13290	3.0
199.11336	1.5
199.14856	2.8
201.12750	1.4
201.16394	0.9
203.14467	1.5
207.11732	1.5
209.13287	2.6
211.11281	0.9
211.14885	2.1
213.12779	0.8
213.16408	1.0
223.14999	1.4
225.12888	1.0
225.16309	0.9
227.12679	4.6
233.13338	1.3
259.20624	1.2
267.15979	1.4
283.20581	1.9
297.22083	2.3
299.23691	6.2
301.18280	0.9
301.21628	1.6
311.20233	1.1
321.21744	1.3
329.21127	1.9
333.24606	1.0
343.22794	2.2
357.24188	2.3
403.24777	2.9
415.30008	2.0
417.26608	1.6
421.25925	8.9
431.99316	0.8
433.31064	4.7
435.27585	6.1
451.32108	6.7
469.32904	3.6
507.34854	1.5
525.35748	23.9
541.34937	1.3
543.36841	100.0
544.37207	2.5
555.37347	1.1
567.36719	1.7
572.62280	0.8
585.37793	1.5
609.38403	1.3
633.37823	1.1
651.38513	1.7
669.39966	3.5
687.40906	3.9
705.42157	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	705.421
Annotation	Unknow
Peak:m/z	Relative Intensity
50.72691	2.1
53.03949	12.4
55.01867	14.1
55.05511	30.1
57.03435	13.9
57.07072	3.1
59.05010	2.8
61.02923	4.2
63.94889	2.5
64.64476	2.0
65.03933	4.9
67.05504	82.5
69.03439	27.4
69.07072	34.2
69.27610	22.5
71.04995	11.9
73.02907	5.7
79.05492	56.8
81.02937	2.8
81.03417	56.6
81.07056	100.0
83.04976	20.7
83.08601	16.9
85.02903	13.1
85.06548	5.2
88.13766	2.3
89.06016	4.6
91.05478	55.9
93.07043	61.4
95.04986	17.9
95.08608	40.6
97.02892	16.7
97.06556	13.8
97.10160	9.2
97.69594	2.5
98.21478	4.6
99.04434	4.0
99.08015	3.2
105.04535	3.1
105.07020	47.9
107.04970	14.3
107.08588	37.4
109.02879	11.4
109.06493	11.4
109.10163	17.9
111.04441	7.1
111.08121	6.0
113.76868	2.8
115.05428	5.1
117.07011	21.4
118.60399	2.4
119.08566	34.2
121.06491	8.7
121.10131	28.1
123.08051	7.4
123.11687	8.7
125.09629	8.1
127.03893	10.2
129.05484	4.0
129.06990	11.4
131.08562	29.2
133.06509	2.7
133.10133	23.0
135.08057	7.0
135.11668	11.4
137.09613	5.9
141.06989	5.1
142.07848	3.4
143.08530	10.0
145.06436	3.2
145.10135	20.1
147.08047	7.7
147.11662	19.5
149.09645	11.6
149.13228	11.0
151.11182	4.4
155.08557	8.5
157.10152	12.4
159.08023	5.5
159.11652	20.5
161.09596	4.2
161.13245	3.7
163.11153	8.5
167.08606	3.9
169.10106	8.6
171.11690	10.0
173.04443	11.3
173.09630	6.0
173.13264	9.3
175.11125	4.5
177.12747	4.8
181.10077	2.7
181.12074	2.8
183.11693	6.2
184.07355	7.7
185.13271	5.6
187.11250	4.2
189.11229	3.7
195.11801	5.2
195.13771	7.8
197.13335	4.2
199.14735	3.6
227.12744	5.7
229.19579	2.7
255.92326	2.5
257.18982	8.1
267.16019	3.8
269.17459	15.8
273.14807	2.6
275.20108	33.3
293.21100	6.0
344.99127	2.5
349.23703	16.6
360.96890	3.0
413.21753	12.0
415.30240	2.7
431.27811	3.6
433.30609	3.3
451.32019	5.1
469.33276	6.7
515.37079	6.4
525.35779	19.1
541.34711	3.0
543.36835	60.9
607.34406	3.3
669.39575	4.7
687.41083	23.5
705.41730	33.3
705.54700	4.0
718.70294	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	705.1665
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01885	0.3
55.05512	0.3
56.96564	0.4
61.02924	0.3
65.03950	1.8
67.05499	0.9
68.83757	0.2
69.03440	0.5
69.07082	0.3
70.06583	0.8
71.05042	0.2
71.52669	0.3
71.53130	0.3
72.08148	0.5
73.02917	0.5
79.05495	0.6
81.03408	0.9
81.07071	0.7
83.08607	0.3
85.02898	2.3
91.05482	0.6
92.76562	0.2
93.03397	0.6
93.07048	0.4
95.04996	0.4
95.08625	0.3
96.08139	1.0
97.02904	1.1
97.06534	0.5
99.04472	0.3
103.03939	2.0
105.07055	0.7
107.08582	0.5
107.86970	0.2
109.02895	0.6
109.10146	0.4
112.84951	0.2
119.08559	0.3
121.02873	34.1
121.10135	0.6
123.04451	0.7
127.03943	0.3
133.10156	0.5
135.04417	0.7
135.11603	0.4
139.03922	1.1
145.02803	0.3
147.04451	0.5
147.11780	0.2
149.02344	0.5
149.09688	0.3
151.03940	0.5
153.01845	0.7
161.06023	0.4
163.03888	1.7
165.09096	0.6
167.03413	0.4
177.05559	0.5
181.04967	0.5
187.03929	0.8
189.05486	0.3
203.03455	0.3
205.04959	0.4
207.06508	0.9
211.04036	0.6
215.03381	0.9
217.05038	1.3
217.66008	0.3
223.06055	0.8
228.04228	0.8
229.05038	1.1
231.02904	0.4
232.04126	0.3
233.04475	2.6
239.03395	0.8
243.02815	0.5
245.04530	2.3
246.05202	1.5
253.04982	0.6
256.03687	2.6
257.04462	5.1
260.03204	2.4
261.03958	4.6
267.02939	0.8
269.04465	0.7
271.06024	0.7
273.03943	20.9
274.04730	11.1
275.05460	0.7
279.04977	0.4
281.04538	0.8
285.03958	20.9
287.05426	1.9
295.05994	1.3
297.04041	1.5
298.04678	1.2
299.05447	3.1
301.03439	0.7
303.04996	100.0
304.05270	1.5
309.03943	0.6
309.24060	0.3
311.05417	0.6
313.03519	0.7
313.07068	3.4
315.04974	1.0
317.06464	0.3
323.05560	1.0
327.04993	19.2
328.05109	0.4
333.06085	0.4
339.05096	0.6
340.12820	0.3
341.06558	1.3
345.05969	0.5
351.04987	3.0
357.06027	2.9
369.06055	6.1
387.07144	7.8
405.08191	18.1
423.09445	1.4
425.08948	0.3
465.10281	2.3
489.08496	0.5
507.09106	2.6
525.10321	21.3
526.10437	0.6
543.11444	6.3
646.47968	0.4
704.37854	0.3
705.26208	1.0
705.37415	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	705.4029
Annotation	Voacamidine
Peak:m/z	Relative Intensity
51.75364	0.2
57.07072	0.4
60.08157	1.1
67.05503	0.6
69.07048	0.2
69.39423	1.5
70.91988	0.2
71.07371	0.6
71.08622	0.6
79.05511	0.4
81.03384	0.3
81.07059	0.8
83.04967	0.2
85.10188	0.3
86.09708	6.8
87.04470	0.6
87.10053	0.6
89.06037	0.4
90.01891	0.5
91.05450	0.4
93.07022	0.3
93.53963	0.2
95.04964	0.2
95.08586	0.5
98.98479	0.9
104.10760	0.6
105.07027	0.4
107.08651	0.3
117.07041	0.3
117.09145	0.3
118.18584	0.2
119.08559	0.4
119.35542	0.2
121.02866	0.2
125.00004	4.5
133.03419	0.2
135.11664	0.3
145.10100	0.2
184.07344	22.7
185.04285	0.7
185.07703	2.1
198.05540	0.3
244.06013	0.5
259.08029	0.3
283.66565	0.2
330.69418	0.3
346.18152	0.3
347.09476	1.2
364.19388	0.3
421.13000	0.3
435.04788	0.2
543.35028	23.1
544.35687	0.7
568.08759	0.2
694.65417	0.3
705.40295	100.0
706.39514	2.6
723.41437	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	704.5153
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	9.2
57.07076	39.1
59.05006	17.3
59.25712	2.1
62.00262	1.7
67.05507	13.5
69.03423	2.4
69.07062	4.5
71.08237	3.8
71.08632	73.3
71.52250	2.4
71.57072	1.8
73.06548	4.6
79.05506	9.5
81.03424	5.6
81.07050	13.0
83.08624	6.0
85.10183	38.2
86.09715	3.1
87.04477	16.1
89.06029	100.0
91.05481	8.6
93.07042	13.2
95.04958	3.7
95.08604	6.0
95.78519	1.7
97.02921	2.0
97.06526	3.1
97.10115	2.3
103.07584	5.4
103.51086	1.9
105.07021	7.4
107.05013	2.3
107.07076	3.3
107.08610	5.3
109.02923	2.8
109.10170	4.7
111.08022	2.1
117.07069	4.7
117.09132	3.5
117.49253	1.9
118.43936	2.0
119.08573	4.9
127.14845	3.9
130.08638	3.6
131.07036	8.3
131.08591	3.8
133.08604	71.8
133.10143	4.4
135.11778	3.7
145.10103	2.6
145.83383	2.1
149.09573	1.8
164.13873	1.9
175.09683	3.3
177.11235	32.3
177.12703	4.3
184.07401	10.6
185.18999	9.7
191.95630	1.8
221.13832	7.1
229.21672	7.1
269.17410	4.1
275.20132	5.4
283.17477	3.4
349.23288	2.1
503.30511	8.5
542.35175	2.6
543.36481	4.7
563.39380	5.7
649.02032	2.2
704.51318	5.0
705.39819	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	704.4495
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05487	0.1
56.05034	0.8
57.07062	0.3
58.06626	0.4
59.07387	0.1
60.08165	6.9
67.05486	0.3
69.30581	0.6
69.30996	0.2
70.06594	0.2
71.07375	4.0
71.08633	0.2
72.24365	0.1
79.05489	0.1
81.07053	0.2
85.10197	0.1
86.09706	34.3
87.10050	0.1
89.06054	0.1
91.05520	0.1
93.07027	0.2
95.08597	0.3
98.98463	3.2
104.10746	3.4
107.04931	0.1
107.08611	0.2
125.00005	22.7
135.11732	0.2
143.01048	0.2
145.10112	0.1
163.11200	0.2
184.07339	100.0
185.07660	0.4
227.12833	0.2
267.67978	0.1
448.20889	0.1
496.33792	0.2
521.38654	0.2
704.44965	16.6
705.45380	0.7
706.14386	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	704.3852
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	15.9
55.01867	11.6
55.05507	42.2
57.03445	18.2
57.07070	3.6
59.05001	6.9
61.02922	6.0
63.02723	3.5
63.03029	3.9
63.95963	5.4
65.03931	6.3
67.05506	100.0
69.03422	9.4
69.07082	25.9
71.04981	6.6
71.53129	4.5
73.02920	10.1
77.50623	3.8
79.05498	97.1
81.03417	45.2
81.07062	63.6
83.04987	36.5
83.08623	19.6
84.53466	3.8
85.02910	11.8
85.06533	5.0
86.09705	10.8
91.03948	3.9
91.05491	71.4
93.07049	85.0
95.04969	33.7
95.08601	43.6
97.02884	12.4
97.06524	14.4
97.10184	9.6
99.04512	4.4
103.57656	3.8
104.36564	3.5
105.04520	4.8
105.07039	49.8
107.04958	31.8
107.08600	32.7
109.02838	5.3
109.06507	15.4
109.10157	38.1
111.04441	6.4
111.08060	6.9
117.07049	19.1
119.08581	46.0
121.06481	5.3
121.10171	19.5
123.08067	6.0
125.09653	8.4
128.06125	4.3
129.05469	14.6
129.07024	25.0
131.04973	4.7
131.08531	14.7
132.05589	4.0
133.10107	17.9
135.08044	5.5
135.11678	23.2
137.09631	5.1
139.03891	4.1
141.39561	3.8
142.39203	4.0
143.08543	10.6
145.06445	7.5
145.10155	25.5
147.11685	41.4
149.05884	4.5
153.12766	8.1
157.10138	5.0
161.09612	7.5
161.13245	12.4
163.03883	5.1
163.11179	28.4
171.11679	32.9
173.09590	4.8
173.11760	9.9
173.13200	4.9
181.12180	9.5
184.07362	33.6
189.12724	10.5
191.10652	14.8
193.12309	4.8
207.13791	29.2
209.11789	5.6
227.12817	28.1
229.14371	14.7
265.14352	14.0
267.15872	5.2
275.20267	4.2
281.17480	56.8
283.15207	14.5
301.16443	14.4
348.53683	4.0
366.89078	4.2
435.27515	55.6
471.27325	10.7
489.28268	10.3
500.06464	4.1
507.29764	22.8
542.35748	5.4
704.39734	5.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	703.3867
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.3
54.50818	0.2
55.05516	0.7
57.07066	0.3
67.05515	1.4
69.03446	0.3
69.07060	0.7
69.85244	1.0
69.85660	0.5
79.05492	0.8
81.03437	0.8
81.07065	1.3
83.04972	0.5
86.09724	0.3
88.82088	0.2
91.05481	1.0
92.89030	0.3
93.07050	0.8
95.04982	0.5
95.08633	0.8
97.02889	0.4
97.10091	0.3
105.07053	0.9
107.08617	0.8
109.10194	0.5
110.73573	0.3
118.37093	0.3
119.08609	0.6
121.10107	0.4
124.99999	0.4
131.08612	0.4
133.10150	0.7
140.55283	0.3
145.10121	0.5
147.11772	0.3
159.11841	0.4
184.07373	1.0
185.04256	0.8
218.83138	0.3
232.11217	0.3
259.07993	0.5
265.93579	0.3
347.09555	1.2
541.33508	22.5
542.33862	0.4
703.38757	100.0
704.39001	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	703.4051
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10829	2.6
52.33832	2.6
53.03938	11.8
55.01872	12.9
55.05267	3.5
55.05511	38.2
56.96552	3.5
57.03446	14.4
59.05015	3.6
61.02919	13.3
62.66064	2.8
65.03929	5.2
67.05505	85.1
69.03432	34.3
69.07066	31.2
71.01355	4.8
71.04980	9.6
71.38148	5.9
73.02902	7.6
77.00060	2.3
77.48708	2.6
79.05494	61.3
81.03417	93.0
81.07057	76.2
83.04980	18.3
83.08614	29.2
85.02913	28.5
85.06538	4.0
91.03945	5.2
91.05479	66.3
93.07044	48.6
95.04972	53.4
95.08607	34.8
97.02892	24.0
97.06542	13.0
97.10165	23.4
99.04440	5.3
99.08139	2.6
103.05464	5.5
105.04513	5.5
105.07027	57.0
107.04966	20.9
107.08588	34.5
109.02890	12.6
109.06532	12.2
109.10146	28.2
111.04464	6.1
111.08080	7.1
115.05447	5.3
117.07011	30.5
119.04959	2.6
119.08589	36.2
121.06483	15.5
121.10148	22.4
123.04414	13.8
123.08078	7.7
123.11721	7.3
125.09637	15.7
127.03931	14.2
128.06203	4.4
129.07039	24.8
131.04945	5.0
131.08575	31.1
133.06465	6.6
133.10126	25.2
135.08067	12.9
135.11694	9.2
137.05931	3.4
137.09601	5.7
141.06993	7.4
142.07849	3.4
143.08601	17.2
145.05083	2.5
145.06508	15.7
145.10121	25.9
147.04398	7.5
147.08060	11.4
147.11650	16.9
149.09572	14.4
151.11223	5.0
153.09096	4.7
154.07733	3.4
155.08536	16.0
157.06445	6.2
157.10127	15.8
157.85005	2.5
159.08049	8.4
159.11684	19.3
161.06039	6.0
161.09683	6.9
161.13255	4.8
163.03967	3.0
163.11176	15.5
165.07030	4.7
167.08592	5.5
169.10115	13.5
171.08055	7.5
171.11665	13.4
173.04475	17.1
173.09641	8.0
173.11794	4.6
173.13303	9.7
175.07587	2.8
175.11230	10.4
175.14819	2.8
177.12764	6.3
181.10167	6.8
183.08029	4.5
183.11723	8.5
185.09645	6.3
185.13301	8.3
185.58244	2.4
187.07732	4.6
187.11238	3.9
189.05409	2.8
189.09244	2.6
189.11185	8.2
189.12740	4.5
191.10606	2.7
193.10332	4.1
193.12285	12.9
195.11621	5.2
197.13242	7.3
197.15007	3.2
199.11169	3.8
199.14886	3.4
201.12764	4.8
203.10687	2.9
205.12234	7.6
207.11787	4.2
207.13663	4.9
209.13403	6.1
211.11330	3.6
211.14891	4.6
213.12817	7.9
219.13808	3.1
223.11198	3.5
227.12766	11.0
229.14272	4.2
229.19553	2.8
231.13899	3.2
235.11060	4.6
235.13069	5.0
239.17885	4.2
243.13890	3.3
257.18961	8.6
259.13312	3.4
267.16034	9.8
273.14908	7.5
275.20071	31.1
277.78806	2.7
283.12976	3.7
297.22330	3.7
301.14459	13.1
313.21356	4.6
319.15506	5.9
339.18277	2.8
339.23352	4.2
349.23859	8.2
355.22705	3.7
367.18011	4.5
375.17920	4.1
393.19156	3.3
401.23077	3.6
404.98065	2.8
421.25781	9.7
431.29449	5.4
449.30649	12.5
467.31735	9.1
521.97931	3.0
523.34082	17.2
539.33417	3.7
541.35223	100.0
553.35126	2.8
557.31244	4.1
559.35651	4.9
565.35291	3.1
583.36047	9.9
605.32892	8.6
607.35614	3.0
625.35907	6.3
626.48383	2.8
631.35394	3.2
649.37213	10.2
667.38446	16.3
685.39514	23.6
703.28906	4.9
703.40448	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	703.349
Annotation	Unknow
Peak:m/z	Relative Intensity
53.08511	0.5
53.35856	0.5
57.07077	0.7
65.58701	0.5
67.05499	0.6
69.78446	1.6
69.78859	1.2
71.08638	0.7
81.07088	1.0
86.09696	1.0
89.06019	1.1
94.20562	0.5
95.08596	0.8
96.18155	0.6
98.21458	0.7
107.08573	0.6
124.99989	0.7
150.84235	0.5
184.07306	4.0
185.76201	0.6
206.51178	0.6
232.71806	0.6
235.12344	0.7
261.13864	0.6
382.96558	0.6
394.18741	0.5
401.17288	0.6
427.19373	0.9
433.23859	0.6
441.20905	1.7
445.20425	1.2
454.17981	1.5
455.18588	1.5
457.19937	0.7
459.21707	5.5
460.22635	1.9
468.19763	1.5
469.19873	2.6
470.20978	2.8
482.21451	0.7
483.21744	13.2
484.22583	8.7
485.23312	4.3
497.23550	0.8
498.24249	0.7
499.25507	0.8
511.25320	1.0
519.24359	0.7
527.24695	1.2
528.25378	0.8
543.24286	1.1
547.26697	2.8
570.26373	1.6
571.26941	3.6
585.28510	0.8
587.26825	1.6
601.28076	0.6
606.28595	2.9
630.28241	9.6
631.28845	3.9
643.32941	3.3
645.30627	1.3
703.34875	100.0
704.34760	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	702.4705
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05036	0.8
57.07070	0.2
58.06621	0.4
60.08163	6.4
67.05496	0.4
70.06555	0.2
71.07372	3.6
71.08622	0.1
71.52206	0.2
79.05514	0.2
79.61457	0.1
81.07040	0.3
83.08624	0.1
86.09705	33.3
87.10008	0.2
89.06018	0.4
91.05453	0.2
93.07046	0.2
95.04980	0.1
95.08617	0.2
98.98466	3.6
104.10741	2.7
125.00002	21.3
129.18912	0.1
133.08597	0.3
143.01064	0.2
145.10741	0.1
166.02657	0.1
177.11542	0.1
184.07335	100.0
185.07707	0.5
253.64793	0.1
304.83914	0.1
330.23096	0.1
331.56189	0.1
496.33899	0.3
505.38904	0.2
530.89709	0.1
590.48407	0.1
670.28986	0.1
702.46936	10.4
703.46960	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	702.4705
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05029	0.7
57.07062	0.4
58.06623	0.5
59.07375	0.1
60.08163	6.1
64.40247	0.1
67.05498	0.4
69.24655	0.5
69.25091	0.7
71.07372	3.0
71.08623	0.3
79.05522	0.2
80.97460	0.1
81.03432	0.2
81.07059	0.3
82.18382	0.1
83.08652	0.2
85.10145	0.1
86.09705	30.0
87.10065	0.1
89.06026	0.4
91.05476	0.1
93.07050	0.3
95.04946	0.1
95.08597	0.3
98.20811	0.3
98.98463	3.3
104.10748	2.2
107.97300	0.1
109.10159	0.2
125.00003	19.8
133.08583	0.2
163.11215	0.1
171.56776	0.1
175.18739	0.1
184.07336	100.0
185.07689	0.5
225.34151	0.1
227.12718	0.1
283.15533	0.1
313.27481	0.4
375.60345	0.1
505.39124	0.2
522.38403	0.2
702.46985	8.5
703.47485	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	699.3564
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	0.5
55.05519	1.0
57.03439	1.6
58.97779	0.2
59.05005	0.7
61.02926	3.3
67.05505	3.5
69.03436	1.8
69.07079	0.9
70.51698	0.6
70.52042	0.3
71.01347	0.4
71.04998	1.7
73.02923	2.7
76.27785	0.3
79.05492	2.8
81.03416	3.5
81.07065	2.8
83.04971	0.7
83.08625	1.1
83.47186	0.3
85.02914	3.8
87.04495	0.6
91.03967	2.4
91.05482	2.8
93.07047	3.6
95.04980	1.4
95.08636	1.1
97.02899	3.6
97.06551	0.9
97.10189	0.7
99.04472	0.9
101.02384	1.3
103.03967	0.4
105.07056	1.4
107.04942	0.5
107.08605	2.2
109.02897	0.8
109.06502	0.4
109.10166	1.3
111.08100	0.5
113.05981	0.3
115.03959	0.4
117.07057	0.6
119.08572	1.4
121.10143	1.5
123.04467	0.3
123.08112	0.4
125.09669	0.2
127.03940	1.2
129.07027	0.4
131.08588	0.8
133.10155	1.5
135.11700	2.2
137.09660	0.4
139.03902	0.3
145.10141	0.6
147.11700	1.3
149.09634	1.8
149.53374	0.3
157.10135	0.9
157.93097	0.3
163.04024	0.4
163.11153	0.4
175.11237	1.0
181.12260	0.4
185.04147	0.3
193.12270	1.6
203.05219	0.3
207.13922	0.3
211.13338	0.5
221.11562	0.9
225.14944	0.7
229.14531	0.4
243.08434	2.2
251.12669	0.3
253.20084	0.3
255.15892	0.6
267.16043	0.5
283.15216	3.3
315.10480	0.3
339.17822	0.8
439.19434	7.8
469.20450	1.3
471.22223	0.8
501.23050	9.7
537.30493	0.6
543.05585	0.3
699.35620	100.0
700.35742	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	700.4477
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03918	0.4
55.05464	4.9
57.03392	3.6
57.07027	34.8
57.07338	2.4
57.07469	1.2
59.04984	0.3
61.02929	13.5
61.03215	0.8
66.72597	0.3
67.05510	9.7
67.05839	0.6
69.03428	1.7
69.07071	7.0
69.42932	2.2
71.04941	0.6
71.08634	28.9
73.02921	5.3
75.04491	1.7
79.05466	0.5
81.03358	0.8
81.07059	14.9
83.08621	9.5
83.45516	0.3
85.02909	17.5
85.06503	0.6
85.10185	18.6
85.10663	0.7
86.09667	0.6
89.05975	0.8
91.03960	14.0
93.07017	0.7
95.08608	23.3
97.02897	7.4
97.06528	0.3
97.10176	10.0
98.21449	0.6
99.04411	0.7
99.08070	0.4
99.11751	1.9
103.07543	0.7
109.02849	0.5
109.10159	12.4
111.11044	0.3
111.11723	4.3
113.13235	1.0
115.03848	1.0
117.09071	0.4
121.10102	0.5
123.11704	5.2
124.99963	0.5
125.13232	0.9
127.03916	4.9
127.14798	0.5
137.06091	0.3
137.13261	2.2
139.14790	0.4
145.04967	7.5
151.14760	0.8
163.06026	12.9
165.16371	0.4
184.07344	1.5
193.19354	0.3
208.13278	0.5
249.25739	1.3
267.26828	19.6
268.27051	0.4
285.27875	4.0
326.30478	0.5
341.30508	100.0
342.30917	2.2
359.31567	39.5
360.31906	0.9
503.35840	0.5
700.44958	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	698.5201
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	6.4
55.01863	7.0
55.05517	36.7
57.03425	9.8
57.07073	3.6
58.80457	3.2
65.03929	6.3
67.05180	5.3
67.05509	75.4
69.03448	5.2
69.07072	28.6
71.04989	7.8
71.08633	32.1
71.51896	3.3
79.05496	68.3
81.03438	8.9
81.07059	100.0
83.04993	19.0
83.05418	3.5
83.08623	24.6
85.06541	7.2
86.56282	3.5
91.05474	47.0
93.07045	66.8
95.04972	19.1
95.08607	43.9
97.06529	15.6
97.10167	11.2
99.08094	19.2
105.07024	34.4
107.05005	4.0
107.08594	45.0
109.06512	5.4
109.10163	17.9
111.08086	6.4
113.09638	3.8
117.07018	14.2
119.08575	24.2
121.06493	5.1
121.10131	19.6
123.11681	3.6
125.09645	9.4
129.06955	6.9
131.08591	19.3
133.10139	27.0
135.08066	5.3
135.11717	20.8
137.09630	4.3
139.11200	4.9
141.07184	3.6
143.08548	7.5
145.10126	15.9
147.11676	12.6
149.13278	19.0
151.11179	20.4
159.11674	10.4
161.13289	12.6
163.11186	14.7
165.12820	6.3
171.11716	5.0
175.14827	8.6
177.12749	8.4
179.14287	4.6
185.13329	4.4
189.11227	5.1
195.13802	10.3
227.12761	16.7
241.19530	4.3
259.20551	6.5
269.17453	32.9
277.21588	35.6
333.24170	4.9
351.25333	33.8
436.16269	3.5
445.29739	4.7
463.30505	46.7
527.36768	6.3
545.38391	62.8
563.39166	11.4
645.46643	3.9
698.43475	5.9
699.43573	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	699.3558
Annotation	Unknow
Peak:m/z	Relative Intensity
50.34811	0.2
52.58997	0.2
55.05508	0.4
55.17319	0.2
57.03434	0.2
67.05503	1.0
69.03425	0.3
70.21671	0.8
79.05492	0.4
81.03396	0.3
81.07045	0.6
91.05487	0.5
93.07040	0.3
95.08626	0.3
107.08583	0.2
109.10155	0.7
130.34596	0.2
185.04272	0.5
218.80736	0.2
219.05528	0.2
227.12991	0.3
234.45772	0.2
236.64063	0.2
248.35028	0.2
259.07980	0.5
301.20129	0.8
329.76953	0.2
341.63065	0.2
347.09518	0.9
400.47971	0.2
437.22714	0.2
440.58316	0.2
516.05225	0.2
537.30334	20.5
538.30585	0.7
699.35559	100.0
700.35907	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	697.3406
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.4
53.48215	1.2
53.58892	1.2
55.05503	3.6
57.03436	2.8
58.76273	1.1
59.05002	1.8
61.02935	9.2
62.81083	1.2
67.05508	17.7
69.03423	3.8
69.07080	2.7
70.77862	1.1
71.52065	1.7
73.02908	5.0
79.05497	3.5
81.03423	5.6
81.07064	8.4
83.04983	1.3
83.08636	1.2
85.02893	7.5
91.03967	3.7
91.05483	5.1
93.07043	6.7
95.04958	1.6
95.08604	3.3
97.02900	5.8
97.06551	2.3
97.10133	1.4
99.04436	2.1
101.02408	2.8
105.07026	2.6
106.25314	1.1
107.08611	2.7
109.02846	2.1
109.10162	17.8
119.08585	3.8
121.10165	2.3
123.04346	1.2
125.09561	1.2
127.03932	3.3
131.08612	1.8
132.01994	1.2
133.10167	2.5
139.03934	2.8
141.34061	1.2
147.04407	1.7
151.04012	1.4
154.32742	1.2
163.03926	1.7
173.04546	1.3
173.11768	5.5
184.07306	1.4
185.04268	3.0
193.12234	1.4
195.09961	2.3
201.03807	1.3
229.14389	4.4
243.08386	3.6
245.04607	1.3
251.12589	1.2
301.08997	6.3
315.10602	3.1
320.59155	1.6
371.16837	4.8
373.11185	2.9
383.24207	1.5
385.18607	2.5
392.09216	1.5
413.17902	22.2
425.21640	2.9
453.20770	6.9
465.67242	1.3
484.22827	1.5
485.19946	7.4
497.23523	1.4
499.21405	2.2
516.21930	1.6
527.25171	1.4
529.48700	1.1
536.74664	1.3
541.26123	5.0
553.30096	1.4
567.31500	23.3
596.31708	10.0
625.31976	100.0
626.32489	3.2
628.30658	7.9
647.15399	1.7
651.33698	6.4
653.34363	2.0
669.35291	1.7
697.34021	49.3
697.46960	1.7
698.35052	1.6
703.74835	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	698.4321
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.9
55.05511	26.1
57.03442	7.6
57.07077	15.7
61.02927	27.8
67.05505	33.4
69.03414	3.0
69.07069	47.4
70.56736	1.9
70.57134	1.2
71.04981	3.1
71.08633	10.6
73.02924	10.8
75.04473	2.4
79.05491	13.3
81.03415	1.4
81.07058	47.3
83.08620	39.0
85.02904	33.9
85.06552	3.5
85.10170	6.7
91.03954	25.7
91.05486	2.3
92.53073	0.8
93.06484	1.1
93.07048	17.1
95.08611	49.1
97.02890	16.3
97.06524	6.7
97.10170	29.3
99.04448	2.4
99.08086	2.5
103.04002	1.0
103.97145	0.7
107.08596	15.8
109.10156	26.5
111.08077	6.2
111.11719	10.4
113.09650	1.6
115.03916	1.8
121.10146	35.8
123.11718	8.4
125.09615	2.8
125.13273	2.5
127.03920	11.9
135.11693	29.9
135.12721	1.5
137.13252	4.7
139.11200	2.8
142.31163	0.7
143.14410	0.8
145.04965	13.2
149.13249	13.6
151.14825	5.1
153.12665	1.2
155.14316	0.9
157.12262	0.7
163.06017	26.1
163.14784	5.2
165.16418	4.3
167.14281	1.0
169.15799	1.1
170.26732	0.7
177.16388	3.9
181.15857	1.2
185.15282	0.8
191.18034	1.6
199.17094	0.8
205.19461	1.8
209.19035	0.8
247.24207	32.3
265.25272	93.2
266.25656	1.3
283.26315	18.4
289.17258	0.8
339.28937	100.0
340.29468	1.6
357.29999	78.2
358.30344	1.7
369.89819	0.8
391.24902	0.7
461.24057	0.8
470.45334	0.8
476.62909	0.8
501.34402	1.0
657.68109	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	697.3069
Annotation	Unknow
Peak:m/z	Relative Intensity
52.76183	0.3
55.01878	0.4
55.05518	0.8
57.03440	0.5
57.07064	0.4
58.38358	0.3
63.02378	0.4
65.03941	6.3
65.16141	0.3
67.05509	3.2
69.03436	2.6
69.07064	1.2
70.06561	0.3
70.76421	0.9
71.04992	0.4
77.03955	0.4
77.93859	0.3
78.04723	0.3
79.05503	1.0
81.03429	0.7
81.07060	1.5
83.04983	1.3
83.08606	0.7
84.08140	0.4
85.02899	0.8
85.06525	0.5
89.03923	4.4
90.25962	0.3
91.05501	1.3
93.03414	7.5
93.07042	2.0
95.04977	0.9
95.08610	2.2
97.02897	100.0
97.06549	1.1
97.10174	0.4
98.03252	0.8
98.97586	0.3
99.04429	0.3
99.08105	1.4
103.05472	0.5
105.03421	0.3
105.07044	0.9
107.04942	0.6
107.08603	4.2
109.02857	0.4
109.06526	1.1
109.10155	2.2
110.03670	0.7
111.04464	1.1
111.08079	0.5
117.03386	13.7
119.04964	0.4
119.08601	1.0
121.02866	2.8
121.06517	1.1
121.10133	2.4
123.04371	0.4
123.08073	1.6
123.11745	0.6
124.05238	0.5
125.02374	1.3
125.05992	1.4
125.09635	5.0
128.06233	1.1
129.06157	0.5
129.07028	5.7
131.05043	0.4
131.08577	0.9
133.10155	1.7
134.03629	0.6
135.04413	1.6
135.08080	1.4
135.11716	1.2
137.05971	0.7
137.09604	0.4
139.03937	0.8
139.05420	0.9
141.06992	2.1
145.02852	43.3
146.03218	0.7
147.04410	0.7
147.11691	0.6
149.02356	8.2
149.05986	5.4
149.09630	11.1
149.13260	1.2
151.03894	2.0
151.11183	3.0
153.09123	1.5
155.79979	0.4
157.06497	6.7
161.06001	0.6
161.09718	0.5
163.03918	5.5
163.07584	0.5
163.14815	1.9
164.07086	1.0
165.12706	0.5
167.03421	51.0
168.03738	0.5
169.06468	2.6
171.08096	0.3
173.06026	0.4
173.13249	1.7
174.06795	0.9
175.07547	0.6
177.05479	88.8
178.05821	1.1
184.05136	0.5
185.05969	2.7
186.05579	1.0
186.60088	0.3
187.07573	1.0
188.08344	1.3
189.05522	1.7
189.09126	8.8
191.14301	5.4
193.15828	0.6
195.04625	0.7
195.06421	0.5
199.07552	6.5
200.04669	0.7
201.08990	0.7
203.06999	0.4
207.06514	2.5
209.15379	17.4
211.17000	0.9
212.04657	0.7
213.05502	1.5
215.07039	1.4
217.08598	6.7
227.07022	5.7
227.16444	2.2
231.06573	0.5
245.04343	0.6
245.08113	11.7
255.06509	0.5
273.07590	3.9
291.08646	41.6
292.09042	0.8
309.09686	10.0
318.90573	0.4
325.09299	0.4
339.10696	0.8
371.20609	0.4
385.20102	0.4
517.11224	0.7
547.11719	0.4
601.13324	0.6
663.61053	0.4
697.36450	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	696.4167
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05270	1.0
55.05513	13.4
56.96566	0.9
57.03433	4.8
57.07077	6.6
61.02927	25.9
65.03938	1.2
67.05506	61.9
69.03410	3.8
69.06730	1.3
69.07066	20.0
69.32363	6.6
70.01802	0.8
71.04977	2.1
71.08641	4.8
73.02919	9.2
75.04472	1.2
78.20215	0.8
79.05070	1.3
79.05493	17.2
81.03413	2.4
81.07056	75.2
83.04967	1.0
83.08618	17.1
85.02908	29.9
85.06525	2.0
85.10178	3.3
91.03414	1.6
91.03955	24.7
91.05476	13.2
93.07050	21.4
95.04990	1.1
95.08609	68.0
97.02889	16.0
97.06529	7.2
97.10166	9.2
99.04449	1.6
99.08118	4.2
105.07039	10.8
106.66358	0.8
107.08594	15.0
109.02869	1.4
109.10155	39.1
111.08070	3.0
111.11691	4.1
113.09659	2.4
115.03924	1.5
119.08580	11.7
119.92551	0.8
121.10149	17.4
123.08078	1.5
123.11707	20.4
124.99961	1.0
125.09618	1.9
125.13218	1.1
127.03923	10.2
127.11235	1.6
131.08473	1.2
133.10138	12.7
135.11688	13.6
137.09583	1.9
137.13234	6.3
141.12775	2.2
145.04958	13.4
145.10066	1.4
147.10663	1.2
147.11711	12.5
149.13274	8.7
151.11194	0.9
151.14825	5.9
153.12692	1.0
155.14290	3.3
161.13261	13.4
163.06020	22.6
163.14801	8.7
165.16397	8.4
167.14311	1.0
175.14832	8.5
177.16380	1.9
179.14371	1.6
179.17955	6.3
181.15883	2.3
184.07318	3.5
189.16371	4.6
199.06340	1.0
203.17949	1.6
217.19539	1.1
229.07513	1.0
229.27170	0.9
245.22646	62.2
247.08623	0.9
262.25235	0.9
263.23703	100.0
264.24023	1.9
265.25223	3.3
281.24719	3.3
301.13016	2.1
337.27380	47.3
349.16696	2.1
354.06796	1.0
355.28458	13.7
494.98975	0.9
499.32886	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	696.4165
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	2.1
55.01861	2.0
55.05275	1.3
55.05511	15.2
57.03443	6.1
57.07076	9.5
58.99918	0.7
61.02929	23.8
64.13387	0.7
65.03928	2.2
65.93787	0.8
67.05503	63.6
69.03426	4.0
69.07066	23.9
71.04973	2.4
71.08628	5.1
73.02920	8.8
75.04472	1.4
79.05492	20.3
81.03405	2.2
81.07055	80.7
82.07370	0.8
83.04986	2.1
83.08156	1.2
83.08624	15.7
85.02903	29.1
85.06526	2.5
85.10164	2.8
85.47890	0.8
91.03954	23.6
91.05479	12.3
93.06485	1.5
93.07043	21.9
95.04957	1.4
95.08607	66.0
97.02899	12.4
97.06532	6.9
97.10163	12.7
99.04449	1.4
99.08072	3.4
101.02325	1.0
105.07030	10.9
107.08600	17.7
109.02844	1.4
109.06519	1.3
109.10159	36.0
110.07108	1.1
111.08074	3.5
111.11700	3.4
113.09650	2.4
115.03909	1.4
117.07053	1.0
119.08577	12.1
121.10138	20.2
123.08044	1.6
123.11701	18.4
125.09589	1.6
127.03907	8.1
127.11191	1.6
133.10130	14.6
135.11682	13.2
137.09619	2.0
137.13249	7.7
139.03870	0.8
139.11176	1.4
141.12730	3.2
145.04953	12.7
145.07524	0.8
147.11678	11.8
149.13268	10.2
151.11070	0.8
151.14801	6.7
153.12724	1.4
155.14290	3.4
161.13257	12.8
163.06017	18.1
163.14799	8.9
165.12756	1.3
165.16408	8.4
167.14270	1.0
175.14796	8.8
177.16406	1.5
179.14362	1.4
179.17917	7.2
181.15880	1.7
184.07481	0.9
189.16418	4.0
193.15977	0.7
203.17949	1.6
217.19481	1.1
245.22646	58.9
246.22997	1.2
263.23700	100.0
264.24075	1.5
265.25323	1.8
281.24817	4.3
337.27368	65.7
338.27603	0.9
355.28455	18.0
430.46387	0.9
491.69070	0.8
499.32687	6.1
696.47357	1.8
725.29572	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	695.3273
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	0.7
55.01873	0.5
55.05510	1.3
56.96578	0.5
57.03432	0.3
57.07077	0.3
59.05008	0.4
61.02929	0.4
65.03946	3.9
67.01151	0.4
67.05510	4.7
69.03420	1.6
69.07073	1.8
69.07417	0.3
70.06599	0.3
70.89584	0.4
71.04988	0.8
73.02929	0.5
79.05486	1.9
81.03418	1.4
81.07062	3.0
83.04987	1.5
83.08618	0.9
85.02906	1.4
85.06506	0.3
86.09720	0.7
91.03946	0.4
91.05481	2.6
93.03409	5.4
93.07055	2.4
95.04972	1.1
95.08615	3.5
97.02896	64.7
97.06535	0.9
97.10203	0.5
97.38658	0.4
98.03214	0.4
99.08068	0.4
103.05449	0.8
105.07036	2.8
107.04980	0.9
107.08607	2.7
109.02909	0.7
109.06528	1.5
109.10158	9.9
110.10498	0.3
111.04452	0.8
113.09629	0.4
115.05486	0.5
117.07040	0.4
119.04945	2.5
119.08603	5.2
120.05735	0.6
121.02867	1.4
121.06502	0.9
121.10146	2.1
123.04425	1.5
123.08061	0.7
123.11697	1.2
124.05208	2.5
125.00056	0.7
125.02348	0.8
125.09560	0.4
127.03860	0.4
129.07036	0.4
131.08553	0.6
132.05754	1.7
133.02820	0.9
133.06490	1.0
133.10130	2.5
135.04486	0.4
135.11707	10.5
137.05960	0.5
137.09628	1.6
138.06755	2.8
139.03902	1.0
139.07556	2.4
143.08560	0.4
145.02881	0.3
145.05016	0.4
145.06479	0.8
145.10117	0.6
146.03598	0.5
147.04393	2.2
147.11714	0.6
148.05191	4.8
149.02351	6.8
149.13274	0.9
151.03929	0.5
151.07547	0.6
151.11162	1.3
151.14833	1.3
157.06464	0.5
160.05190	1.9
160.29298	0.4
161.05986	1.9
163.03938	2.6
163.07555	14.8
163.11185	0.4
165.05521	2.5
167.03409	37.3
169.06496	0.9
171.08055	0.6
172.08815	2.2
173.06017	0.5
175.03860	2.7
175.14850	4.4
176.04645	2.1
177.09044	0.5
182.07256	1.5
184.07359	2.4
184.08817	0.7
187.07506	1.0
188.08347	1.5
189.09100	0.6
191.07040	100.0
192.07416	1.1
193.15887	6.6
197.05862	0.4
198.06810	0.5
199.07608	0.5
202.09900	1.1
203.07065	1.5
203.10695	5.9
206.05681	0.5
207.06551	5.4
209.08139	0.5
210.06808	0.6
211.16946	12.5
213.09119	5.7
214.06282	0.6
215.10695	0.9
227.06763	0.4
228.07840	0.5
229.08652	0.7
230.18999	0.3
230.29756	0.4
231.10172	5.0
241.08600	5.9
259.09686	10.3
267.09116	0.3
268.16360	0.4
277.10745	0.3
287.09274	2.8
293.77243	0.3
305.10205	27.6
306.10583	0.4
323.11270	7.3
353.12335	0.5
448.27734	0.5
485.16660	0.4
695.30896	3.4
695.43030	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	695.3248
Annotation	Adociasulfate 2
Peak:m/z	Relative Intensity
51.02353	0.4
52.57846	0.4
53.03950	0.4
55.01867	1.0
55.05513	1.9
56.20490	0.4
56.96565	0.5
57.03442	2.7
57.07069	0.4
58.77179	0.4
61.02925	4.2
62.84545	0.4
67.05182	0.5
67.05508	6.5
68.05831	0.7
69.03428	2.1
69.07056	1.4
69.34290	1.6
69.34711	1.5
70.49076	0.4
71.04991	2.3
72.08145	0.7
73.02911	2.5
76.29730	0.4
79.05492	4.3
81.03422	6.7
81.07060	5.6
82.07404	0.5
83.04983	1.9
83.08620	2.3
84.31371	0.4
85.02904	4.5
85.06553	0.6
86.09705	0.8
91.03949	2.3
91.05482	5.6
92.05815	0.9
93.07048	4.6
95.04976	3.5
95.08601	4.2
97.02893	3.1
97.06524	1.2
97.10142	0.6
99.04459	1.6
101.02400	0.6
103.03957	0.4
105.07046	3.3
107.04975	1.4
107.08601	3.3
108.08875	0.6
109.02869	1.1
109.06537	1.0
109.10162	4.1
110.10508	0.9
111.04457	0.6
111.08097	1.2
112.08363	0.4
115.05408	0.5
117.07035	1.0
119.08599	2.8
121.06480	0.7
121.10121	2.8
123.04424	0.5
127.03917	1.1
129.07010	1.5
131.00142	0.8
131.08572	1.5
132.08902	0.4
133.06448	0.4
133.10127	1.7
135.08089	0.7
135.11716	3.7
137.09625	1.0
139.03868	0.9
142.57936	0.4
145.10127	2.3
146.10452	0.4
147.11700	1.8
149.09590	0.7
151.11145	0.4
157.10080	1.9
163.03955	1.0
163.11201	4.4
173.11725	0.8
175.11275	2.0
181.10727	0.4
181.12265	1.4
183.33788	0.4
184.07333	2.4
193.12245	3.7
194.12627	0.6
211.13240	2.5
212.13600	0.6
216.28168	0.6
219.09952	0.4
227.12740	3.3
229.07503	0.7
229.14520	0.5
243.08405	3.0
249.11069	5.8
251.12453	2.2
267.15973	1.2
268.16208	0.5
285.17117	0.8
286.17358	0.7
287.18567	0.8
305.13580	2.2
307.15167	0.9
395.82431	0.4
422.26260	1.1
439.27042	1.3
440.26889	2.2
447.27277	0.8
448.27686	1.9
465.28586	1.0
466.28860	1.9
467.18878	11.7
469.20389	13.1
478.99313	0.4
497.30896	0.8
498.31110	3.0
533.27002	0.9
535.37250	0.5
611.40143	0.4
649.41846	0.7
675.18988	0.4
695.32428	100.0
696.32928	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	695.2927
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	0.7
58.06848	0.2
61.74281	0.2
62.09532	0.2
67.05508	0.3
69.07056	0.6
70.06575	0.6
71.04939	0.2
71.20172	0.2
71.52988	0.3
80.05019	0.2
93.07024	0.3
94.06532	0.5
95.04978	0.3
97.02869	0.5
97.06521	0.3
98.06062	0.2
108.04496	3.1
108.08116	0.3
116.07055	0.3
117.03392	0.3
120.04465	0.5
122.06039	1.3
123.04424	0.7
135.04384	0.6
136.07605	1.4
136.27678	0.2
138.05490	0.6
139.03915	0.5
140.07057	1.3
145.02867	0.4
146.06027	1.7
148.03932	0.3
148.07544	1.0
150.05482	0.9
163.03925	1.9
164.04117	0.2
164.07056	0.7
166.04955	0.8
168.06589	4.4
172.03899	0.4
174.05486	0.8
174.09050	0.3
175.03790	0.2
177.05420	0.3
189.05562	0.3
194.09776	0.2
196.07669	0.3
196.11285	0.4
197.10780	0.2
198.07732	0.5
198.09296	0.3
199.08691	1.6
204.06604	1.1
206.08160	1.9
207.06586	0.5
208.07513	0.2
209.08389	0.2
209.78381	0.2
211.08655	4.9
211.12291	0.9
212.09346	1.8
213.10236	2.0
221.10739	1.0
222.09166	1.5
222.11226	0.3
223.08618	1.2
223.12210	0.4
224.10699	1.3
225.10237	5.0
226.07272	0.4
226.10890	1.0
227.08240	1.6
227.11807	0.5
229.09525	0.3
237.10446	0.3
238.10948	0.3
239.08066	0.9
239.11786	7.7
240.08974	0.8
240.12485	0.6
241.09738	2.7
241.13358	0.9
242.08249	0.2
242.10535	1.0
249.10210	0.8
250.08745	1.4
251.08145	1.6
251.11508	0.4
252.09058	1.4
253.09731	5.8
254.10460	0.7
255.11305	1.1
256.11945	0.3
257.12833	0.8
266.10458	0.3
267.11301	11.9
268.11996	0.8
269.10010	0.3
269.12842	2.0
271.10754	0.4
273.12366	0.7
277.09729	0.3
278.08047	0.5
280.08414	0.4
281.09155	0.9
283.10745	0.7
284.11511	0.8
285.09262	0.4
285.12302	1.9
287.13882	0.6
295.10794	6.0
296.09085	0.4
297.12378	1.2
298.10489	0.6
299.10251	0.7
300.10886	0.3
301.11838	0.5
303.13416	0.2
305.14948	2.1
313.11832	39.7
314.12262	1.0
315.13385	0.5
323.10242	1.9
333.14429	3.0
341.11337	17.9
342.12051	2.9
351.15579	0.8
355.12851	2.1
359.12372	2.3
373.13956	100.0
374.14319	2.4
375.15384	0.5
376.96924	0.2
391.14005	0.2
627.24402	0.9
645.25470	2.2
659.27295	1.2
663.26624	0.8
677.27850	0.7
695.24860	0.3
695.37439	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	695.2911
Annotation	Unknow
Peak:m/z	Relative Intensity
51.90610	0.5
55.05519	0.5
56.05029	0.8
59.04992	0.9
65.03936	5.2
67.05507	3.3
69.03430	1.5
69.07066	0.6
70.06602	0.7
72.08143	0.7
75.36800	0.5
79.05493	0.7
81.03403	0.8
81.07071	1.3
83.04996	0.9
84.08136	1.1
85.02924	1.0
86.09695	0.9
88.03991	1.0
89.03924	4.5
91.05489	1.7
93.03407	6.9
93.07037	1.2
95.04969	1.5
97.02893	100.0
97.06524	1.1
103.05457	1.0
104.05389	1.2
105.07050	1.7
107.04993	0.5
107.08578	3.2
109.06517	1.4
109.10155	0.7
110.03686	0.8
111.04417	1.1
115.05455	0.8
117.02538	0.6
117.03374	12.4
119.04912	0.9
119.08577	1.5
120.08107	4.5
121.02877	2.6
121.06522	0.8
123.04420	1.5
123.08081	1.2
124.05276	0.6
125.02339	1.0
125.06019	1.5
127.03921	0.5
128.06236	1.4
129.07030	5.1
133.10109	0.7
134.03662	0.9
135.04424	1.2
135.11697	0.8
136.07561	1.5
137.05981	0.9
137.09605	5.1
139.03889	1.6
140.68848	0.5
141.07005	1.4
145.02849	41.1
146.06361	1.0
147.04401	1.5
149.02356	8.7
149.05954	5.1
149.09647	0.9
151.03906	3.2
157.06500	6.2
161.13280	1.2
163.03918	3.8
164.07065	0.7
167.03416	45.9
169.06502	2.2
173.05916	0.7
175.03877	0.7
177.05473	82.7
178.05869	1.0
184.05023	0.6
185.06006	2.4
185.07474	0.6
186.05469	0.8
187.07574	1.6
188.08298	1.4
189.05585	1.2
189.09120	8.5
189.12718	1.2
195.04361	0.8
199.07544	5.9
201.09198	0.6
207.06587	2.5
207.13889	1.1
212.04623	0.6
213.05434	2.0
215.07031	1.5
217.08586	7.3
227.07021	7.1
235.10721	0.8
245.08083	12.3
251.17702	0.5
255.06635	0.7
259.09747	0.9
263.09225	0.6
265.31567	0.5
273.07483	3.8
291.08627	38.0
292.09091	0.8
301.11774	0.5
309.09680	7.8
313.11746	0.8
339.10913	1.0
378.21997	0.5
436.15051	0.9
566.92261	0.6
622.84290	0.5
677.27386	0.7
695.33710	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	695.2911
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02367	0.5
53.58181	0.5
55.05517	0.8
56.05027	0.4
57.29330	0.4
59.05006	0.7
65.03938	4.5
67.05507	3.3
68.27605	0.5
69.03436	1.2
69.07059	0.7
70.06597	0.7
71.52905	0.6
79.05473	0.8
81.03419	0.9
81.07084	0.7
82.69489	0.5
83.05001	0.7
84.08195	0.5
85.02880	1.0
86.09708	0.6
89.03925	3.3
91.05490	2.0
93.03409	7.5
93.07043	1.2
95.04977	1.1
95.08640	0.7
97.02895	100.0
97.06534	1.4
98.03236	0.6
99.04490	0.8
103.05486	0.8
104.05325	0.7
105.07034	1.9
107.08588	2.7
109.02889	0.5
109.06538	1.3
109.10168	1.0
110.03664	0.8
111.04449	1.2
115.05459	0.9
117.03389	11.6
119.08546	1.1
120.08118	2.8
121.02847	2.8
121.10143	0.6
123.04415	1.2
123.08059	1.5
124.05210	0.8
125.02339	1.1
125.05978	0.8
128.06198	1.0
129.07007	5.6
131.08603	0.6
134.03624	0.7
135.04390	1.4
135.08121	0.6
135.11674	1.6
136.07587	0.9
137.05998	1.1
137.09619	6.3
139.03900	1.6
139.05478	0.7
141.07010	2.1
143.04863	0.5
145.02852	41.2
146.06245	0.6
146.48271	0.5
147.04398	1.4
147.11435	0.5
149.02336	8.2
149.05989	4.0
149.09627	0.5
150.78264	0.4
151.03877	1.8
151.07434	0.5
153.09087	0.6
157.06482	6.7
161.13287	1.1
163.03915	3.3
164.07077	0.8
167.03416	52.4
169.06500	3.0
171.58324	0.5
173.05949	0.7
175.03917	0.6
177.05476	90.7
178.05760	0.6
185.05894	3.0
186.05486	1.0
186.11566	0.5
187.07596	1.1
188.08313	1.9
189.05505	1.4
189.09143	6.7
189.12727	1.3
195.04497	0.9
199.07542	5.9
201.09152	0.5
207.06540	2.8
207.13817	1.5
213.05435	1.1
215.06981	1.5
217.08578	6.8
220.59810	0.5
225.14961	0.9
227.07030	6.4
245.08104	13.0
255.06505	1.1
259.09821	0.7
273.07578	3.8
291.08640	43.2
291.91608	0.5
299.70938	0.5
309.09689	8.5
313.11865	0.8
333.14261	0.7
339.10748	0.8
374.41504	0.5
514.36188	0.6
616.51471	0.6
645.25293	0.6
695.33777	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	695.2882
Annotation	Unknow
Peak:m/z	Relative Intensity
70.06459	0.4
70.06798	0.5
71.04786	1.5
71.05215	1.0
71.52707	0.5
78.75515	0.5
85.02687	2.5
85.03237	1.1
87.05421	0.6
107.04773	0.5
121.09849	0.5
133.05806	1.6
136.07294	1.6
137.02029	0.6
138.08905	0.8
143.02873	1.9
143.08318	0.5
163.03574	1.6
164.06766	3.0
169.04497	0.5
185.04041	0.9
191.03342	2.7
203.04938	8.7
229.06467	1.5
314.02518	0.5
320.06842	0.4
331.10034	3.5
343.07819	0.8
349.11057	26.8
369.16635	0.7
505.24017	5.4
549.23071	4.0
633.28937	7.5
651.29865	100.0
652.30310	3.1
695.28857	41.4
696.29218	1.7
713.65881	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	694.4007
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01591	0.6
53.03937	1.6
53.55752	0.5
55.01866	1.7
55.05516	8.7
57.03196	0.8
57.03443	11.3
57.07056	1.5
59.05010	0.7
61.02928	1.4
64.91406	0.5
65.03938	0.8
67.05507	30.1
69.03422	2.2
69.06725	0.7
69.07066	7.1
70.96110	0.5
70.96465	1.4
71.01338	2.3
71.04990	4.5
71.08606	0.5
73.02900	0.8
79.05496	24.9
81.03420	43.5
81.06588	0.9
81.07058	15.8
83.04993	6.5
83.08145	0.8
83.08622	12.2
85.02907	3.3
85.06530	2.2
86.09705	0.8
91.03957	0.7
91.05480	17.3
93.07044	27.7
95.04974	15.1
95.08601	5.9
96.04552	0.6
97.02897	2.9
97.06540	7.3
97.10160	7.2
99.04469	0.9
99.08083	1.3
103.05463	0.6
105.07034	8.6
106.00441	0.5
107.04955	4.0
107.08595	18.1
109.02850	0.7
109.06538	3.3
109.10158	8.0
111.04436	1.4
111.08092	5.5
115.05447	0.8
117.07003	3.4
119.04937	1.6
119.08591	9.2
121.06499	1.5
121.10133	7.4
123.04356	0.6
123.08062	1.8
123.11721	0.8
125.09652	1.6
127.07568	0.7
128.06316	0.5
129.07010	4.8
131.08554	4.9
133.06541	2.5
133.10120	4.3
135.08063	1.3
135.11694	30.4
137.09618	2.3
142.07813	1.0
143.08533	1.3
145.10135	7.0
147.04437	1.1
147.08028	1.7
147.09180	0.6
147.11691	4.1
149.09599	2.4
153.09064	0.6
153.12737	1.3
157.10143	6.0
161.13269	0.6
163.03847	0.6
163.11177	6.4
165.12732	1.6
171.11624	0.6
173.11684	0.7
175.03873	1.8
175.11197	5.7
181.12207	4.7
184.07320	1.3
185.13228	0.6
193.12250	14.0
199.13367	0.8
203.06985	0.7
207.06558	2.2
208.06816	0.9
211.13266	3.7
249.14830	1.3
255.15913	58.7
267.15924	36.4
285.16943	0.8
287.18561	1.0
301.14368	0.7
329.21188	0.7
403.24753	1.0
421.25909	8.4
439.26816	4.5
447.27432	100.0
448.27588	3.0
461.97345	0.6
465.28479	8.8
489.28430	2.1
497.31296	6.1
504.93265	0.6
532.68109	0.6
549.69836	0.5
555.29388	0.7
648.41071	1.8
694.32703	1.7
695.32239	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	694.4013
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	3.9
55.01871	3.9
55.05515	13.5
56.29066	2.2
56.96555	4.4
57.03437	10.8
57.07059	2.5
59.04996	4.6
61.02908	6.0
65.03934	2.5
67.05508	83.2
68.82626	2.2
69.03419	6.3
69.07077	12.2
71.01366	2.0
71.04995	31.6
71.52563	2.5
73.02904	4.0
75.51675	1.8
79.05495	32.3
81.03423	38.7
81.07058	34.1
83.04979	13.5
83.08618	19.5
85.02904	20.8
85.06536	5.3
91.03951	4.3
91.05488	30.8
93.07045	32.9
95.04973	28.0
95.08618	18.5
97.02898	8.3
97.06545	10.2
97.10157	6.0
98.97577	3.0
99.04491	2.0
105.07027	22.0
107.04916	4.8
107.08614	19.7
109.06525	7.8
109.10162	65.9
111.04449	3.1
111.08099	9.8
117.07052	5.1
119.08581	24.4
121.06504	3.3
121.10149	13.8
123.04443	4.2
123.08113	2.9
123.11752	3.9
125.09631	4.1
129.07014	6.9
131.08563	9.8
133.06433	3.0
133.10124	12.1
135.04410	2.2
135.08041	5.6
135.11679	17.7
137.05968	2.3
137.09624	13.3
139.03880	3.0
142.07747	2.0
145.10127	7.6
147.11671	13.3
149.09627	6.5
151.11214	4.6
155.10641	5.2
157.10162	9.9
163.03894	2.4
163.11183	9.9
165.12741	5.9
169.12224	2.4
173.11800	10.2
175.11240	9.9
177.12807	2.4
181.12270	5.0
184.07365	6.4
193.12247	32.1
211.13289	34.8
229.07526	4.5
229.14313	4.8
241.07527	2.7
243.08427	2.0
255.15948	10.1
267.15906	16.0
269.10608	3.8
285.10257	2.1
285.17035	17.9
287.18558	19.2
367.17996	3.8
385.18988	4.4
421.25906	17.7
431.22714	2.7
439.26904	61.0
439.32959	3.2
440.26688	2.3
447.27414	23.6
453.28497	7.7
465.28485	100.0
469.83261	2.1
479.29721	4.1
497.31155	93.4
498.31375	2.8
694.35004	4.5
695.31934	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	692.4492
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	0.3
56.05026	0.5
58.06609	0.5
60.08161	6.1
67.05493	1.0
69.07061	0.3
71.07370	3.2
72.78257	0.2
79.05516	0.5
81.03410	0.2
81.07054	1.1
83.08639	0.3
86.09705	29.4
87.10031	0.3
91.05487	0.5
93.07017	0.5
95.04945	0.3
95.08604	0.7
98.98456	2.9
104.10738	2.2
105.07031	0.6
107.08591	0.3
109.10148	0.4
119.14034	0.2
121.10161	0.2
125.00002	19.2
131.08548	0.3
133.10106	0.2
143.01160	0.2
173.06367	0.2
184.07336	100.0
185.07732	0.5
190.42493	0.2
198.69391	0.2
272.15338	0.3
520.37030	0.4
692.44958	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	694.4007
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	1.8
55.01855	1.1
55.05509	8.1
57.03444	4.9
57.07061	2.4
57.41688	0.5
60.31952	0.5
61.02926	23.7
65.03925	2.0
65.18065	0.6
67.05505	51.2
69.03418	2.8
69.07063	9.2
71.04980	2.3
71.08636	0.6
71.22364	1.1
73.02917	9.6
75.04465	0.7
79.05494	32.3
81.03407	1.5
81.07057	59.3
83.04976	1.1
83.08615	6.3
85.02906	29.3
85.06526	2.3
91.03956	25.1
91.05477	18.9
91.89124	0.6
93.07043	46.7
95.04958	2.0
95.08607	44.6
97.02895	15.0
97.06528	2.9
97.10152	2.3
99.04435	1.9
99.08095	2.9
103.03955	1.2
103.24850	0.6
105.07023	15.2
107.08595	30.7
109.02866	1.6
109.06512	1.1
109.10156	27.3
111.08080	2.2
111.11722	1.0
113.09649	1.3
115.03931	2.1
117.07024	5.9
119.08578	13.7
121.10144	31.2
123.08060	1.0
123.11705	16.5
125.09606	1.3
127.03911	10.4
131.08572	17.0
133.10133	11.7
135.11694	25.1
137.09584	1.6
137.13261	6.4
139.11145	2.0
143.08623	0.6
145.04956	14.2
145.10118	15.0
147.11687	10.6
149.09561	0.7
149.13258	19.3
151.11156	2.5
151.14819	1.5
153.12706	1.1
155.10513	0.6
159.11697	12.6
161.11983	0.8
161.13254	10.0
163.06018	21.7
163.11191	0.9
163.14818	15.5
165.12737	2.2
165.16357	0.6
171.11636	0.7
173.13260	13.5
175.14830	3.7
177.12715	1.7
177.16377	7.2
179.14233	2.7
183.96252	0.5
187.14818	9.3
189.16344	0.7
191.14299	1.8
201.16385	2.3
204.08495	0.8
205.15892	1.8
215.17982	1.5
217.19574	0.5
219.17430	0.9
233.22615	2.4
243.21092	36.6
244.21426	1.1
245.00317	0.6
245.22606	0.8
261.22134	100.0
262.22482	2.0
263.23660	2.4
279.23184	2.8
297.20706	0.8
317.24823	1.3
335.25793	18.4
352.14297	0.6
353.26862	62.9
354.27197	1.6
497.31018	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	692.3853
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	4.2
53.55837	1.2
55.05511	38.2
55.52980	1.4
57.03430	23.8
57.07061	1.8
59.04993	4.1
61.02924	9.9
65.03930	3.9
67.05509	100.0
69.03414	5.8
69.07067	22.2
71.04993	9.0
73.02923	7.6
77.55141	1.4
79.05496	46.4
81.03424	17.4
81.07061	88.7
81.46667	1.3
83.04998	11.5
83.08627	24.1
85.02916	20.7
85.06528	5.8
87.04460	5.6
87.72992	1.5
91.03941	3.4
91.04922	2.2
91.05486	36.5
93.06490	2.7
93.07047	46.0
95.04964	9.4
95.08617	21.9
95.53591	1.4
97.02914	9.6
97.06531	12.4
97.10168	14.8
97.53754	1.5
99.04449	2.1
99.08051	2.6
105.07030	14.0
107.04925	5.2
107.07876	2.2
107.08589	32.1
109.02920	1.9
109.06512	5.9
109.10159	56.9
111.04449	3.1
111.08067	6.5
117.07030	9.2
119.08581	12.7
121.06483	3.5
121.10147	11.1
123.08045	3.5
123.11713	4.7
124.21787	1.3
125.09620	13.8
129.05467	5.8
129.06958	3.9
131.08556	11.0
133.10147	15.8
135.08058	2.7
135.11713	9.9
137.09631	3.6
143.10661	2.5
145.10135	5.5
147.11700	5.7
149.09648	3.2
149.13297	10.6
153.12714	3.5
155.08571	1.7
155.10666	5.7
157.10091	2.0
159.11713	9.1
163.11218	8.0
165.12808	2.0
166.78204	1.4
167.14386	1.5
173.09528	1.8
173.11736	18.3
173.13158	2.2
177.12711	5.9
181.12210	2.9
184.07443	2.1
185.11610	2.6
189.11151	1.7
191.10600	3.5
193.12254	6.3
195.13809	15.9
199.13293	6.8
209.11670	7.1
211.13289	4.1
213.14777	3.9
214.68668	1.7
217.25084	1.5
227.12793	10.9
229.14359	55.1
239.16411	3.5
249.14772	1.6
257.13840	1.9
267.16000	10.2
269.17484	68.1
283.15338	6.5
297.16925	1.8
301.16437	23.5
393.26312	3.8
411.27307	5.8
423.27420	44.1
431.27884	3.1
477.28302	3.2
495.29553	82.8
513.30579	31.2
692.35535	3.1
716.21411	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	692.3853
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	3.7
53.75047	0.9
55.05512	33.4
57.03156	1.6
57.03428	17.6
57.07066	2.9
59.04996	5.8
61.02932	7.4
65.03914	3.0
66.12019	0.7
67.05507	100.0
69.03429	4.9
69.06688	1.0
69.07066	19.8
69.25053	0.8
71.01354	1.5
71.04990	6.5
73.02927	5.8
79.05493	38.4
81.03420	16.1
81.07058	70.8
83.01319	0.8
83.04978	10.7
83.08150	1.6
83.08617	22.0
85.02905	17.9
85.06548	4.5
85.27840	0.8
86.09697	0.9
87.04461	5.3
91.03940	3.6
91.05479	27.9
93.07046	40.4
95.04979	6.5
95.08607	21.7
97.02907	8.0
97.06537	10.3
97.10173	18.2
99.04449	1.6
99.08094	1.5
100.80170	0.8
103.03941	1.8
103.05459	1.3
105.07040	12.0
107.04957	4.5
107.07887	1.4
107.08597	26.6
109.06512	3.9
109.10159	52.4
111.04438	1.5
111.08073	6.5
113.06011	1.2
115.05450	1.1
117.07021	9.5
119.08581	10.2
121.06519	4.2
121.10152	10.8
123.08074	3.1
123.11712	5.2
125.09631	14.6
127.03870	1.9
128.94884	0.9
129.05498	4.0
129.06952	1.6
131.08566	9.5
133.10121	13.4
135.08032	2.8
135.11694	11.1
137.09599	3.8
143.07037	1.4
143.10677	3.7
145.10144	5.6
147.08003	1.4
147.11699	5.9
149.09637	1.9
149.13258	13.2
151.11140	1.6
153.12750	3.5
155.10637	5.5
157.08621	1.6
157.10074	1.1
159.10431	1.1
159.11707	8.6
163.11160	8.1
165.12715	2.9
167.14273	1.0
173.04567	0.9
173.09550	1.7
173.11748	15.5
175.11264	1.3
177.12761	3.5
181.12271	3.6
181.19325	0.8
184.07326	1.0
185.11609	1.0
189.11211	1.5
191.10670	3.5
193.12253	5.1
195.13797	17.2
199.13321	7.2
209.11725	7.2
211.13354	4.1
213.14842	1.9
227.12743	8.8
229.14362	53.8
239.16449	5.0
257.13791	1.1
265.14218	1.4
267.15903	12.0
269.17487	63.0
281.17563	1.0
283.15408	5.6
301.12915	1.6
301.16437	22.0
315.50949	0.9
323.18738	1.2
357.24371	1.4
393.26233	2.9
411.27512	5.7
423.27417	36.1
424.28262	1.0
431.27841	3.2
449.28864	1.7
477.28543	3.1
495.29562	68.9
513.30597	32.0
567.69635	1.0
627.10181	1.0
692.34387	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.4027
Annotation	Unknow
Peak:m/z	Relative Intensity
50.60278	0.2
51.82249	0.2
53.03950	0.5
55.01869	0.7
55.05515	1.5
57.03442	2.1
57.07074	0.3
60.08144	0.4
61.02647	0.4
61.02929	5.3
67.05507	7.3
69.03430	3.3
69.07076	1.3
71.01338	0.5
71.04993	1.0
71.08633	0.5
73.02917	3.2
78.94326	0.2
79.05500	3.4
81.03421	1.6
81.07060	5.1
83.01332	0.3
83.04955	0.3
83.08618	1.1
85.02908	6.3
86.09711	1.2
87.10042	0.4
91.03959	3.3
91.05461	2.0
93.07050	3.8
95.04946	0.4
95.08600	3.4
97.02892	4.5
97.10184	0.4
98.21540	0.6
99.04456	0.7
101.02384	1.7
103.03943	0.3
103.40809	0.3
105.07027	1.6
107.08610	1.8
109.02888	0.8
109.06499	0.4
109.10155	5.2
111.04458	0.3
111.08090	0.5
115.03908	0.3
115.86568	0.2
117.07017	0.6
119.08565	1.4
121.10130	1.8
123.11708	0.5
125.00011	1.0
127.03913	1.8
131.08600	0.5
133.10130	0.8
135.11703	1.0
135.66522	0.3
145.04988	0.4
145.10138	0.7
147.11676	0.4
149.13261	0.5
155.10788	0.4
157.10199	0.3
159.11662	0.3
163.11160	0.3
173.11774	1.0
184.07341	3.6
185.04333	0.6
185.07642	1.4
186.07797	1.0
195.09952	0.8
203.05296	0.5
227.12808	0.3
229.14386	0.8
243.08372	1.9
247.24252	0.3
285.01218	0.3
335.25897	0.8
413.17838	5.0
494.35272	0.4
519.29382	8.4
519.36725	0.6
529.38977	0.8
609.49298	0.3
691.40240	100.0
692.40503	2.6
718.01331	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.403
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	0.6
55.05514	1.1
57.03439	1.6
61.02932	4.3
61.94645	0.4
64.67402	0.4
67.05506	6.4
69.03434	2.3
69.07072	1.5
71.05004	0.7
73.02924	2.7
79.05494	2.4
81.03416	2.7
81.07061	3.8
83.08645	1.2
84.50835	0.4
85.02911	3.3
86.09713	1.5
87.04448	0.4
91.03959	2.8
91.05490	2.1
93.07054	2.5
95.04982	0.4
95.08611	2.3
95.18013	0.4
97.02908	3.8
98.20759	0.7
99.04458	1.1
101.02398	1.2
103.03954	0.6
105.07060	1.6
107.08619	1.7
109.02886	0.8
109.10157	6.0
115.20357	0.4
119.08612	1.0
121.10149	1.2
123.11769	0.4
125.00039	0.9
127.03938	1.0
129.05548	0.4
131.08556	0.6
133.10173	1.1
135.11720	1.0
137.09639	0.6
145.04951	0.4
145.10130	1.0
147.11693	0.6
149.09766	0.3
149.13150	0.5
152.82196	0.4
155.10670	0.5
173.11797	1.8
184.07382	2.8
185.04272	0.9
185.07755	0.7
186.07846	0.7
195.09941	0.8
209.11798	0.7
229.14430	0.8
240.64053	0.4
243.08452	1.8
261.72739	0.4
275.20340	0.4
335.26230	0.5
405.94000	0.4
413.17902	8.6
519.29370	3.8
519.37085	1.3
529.38690	0.5
691.40277	100.0
692.40570	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	690.4787
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.3
55.05515	16.6
55.36892	0.9
57.03181	1.5
57.03439	12.0
57.07076	6.4
59.04993	3.9
59.30609	0.8
61.02919	3.8
65.03932	1.3
67.05508	68.6
69.03428	1.7
69.07071	19.7
69.24176	1.9
69.24582	7.0
71.04984	2.9
71.08631	3.3
74.09748	1.0
75.17190	0.9
79.05489	5.4
81.03419	1.4
81.07063	18.7
83.08622	17.2
85.02905	3.8
85.06540	3.2
85.10161	1.3
86.09712	1.7
91.03974	1.4
91.05495	4.6
93.07047	7.8
95.04985	1.1
95.08610	18.5
97.02911	1.6
97.06535	1.7
97.10173	8.5
99.08092	1.6
102.86967	0.9
107.08602	5.7
109.10162	68.7
111.08096	4.3
111.11719	1.8
113.09660	0.9
119.08585	4.6
121.10155	5.0
123.11732	2.6
125.09628	1.2
135.11729	6.0
137.09619	3.0
149.13266	1.9
155.10687	6.2
173.11745	17.3
184.07332	6.1
187.97929	0.9
228.25172	0.9
229.14365	100.0
237.70122	0.9
269.75305	0.9
339.28952	73.4
340.29251	1.2
493.38913	61.0
585.02283	1.1
587.24878	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.3297
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46193	0.5
53.03920	0.7
55.05505	1.7
57.03434	1.5
60.42188	0.5
61.02925	3.1
67.05502	4.3
69.03428	2.1
69.07063	1.3
69.22530	3.9
71.04980	0.7
73.02924	2.6
79.05490	4.2
81.03416	2.8
81.07058	4.6
83.04987	1.8
83.08614	1.1
85.02916	3.8
86.09709	0.6
91.03948	1.2
91.05498	4.4
93.07063	4.8
95.04974	1.5
95.08621	3.5
97.02908	2.6
97.06519	0.9
98.21536	0.9
99.04448	0.5
101.02372	1.0
105.07036	3.2
107.04984	0.8
107.08598	2.5
109.02854	0.5
109.06569	0.5
109.10166	1.1
111.04489	0.5
115.03992	0.5
117.07016	0.9
119.08574	2.3
121.10141	1.2
123.04495	0.7
127.03901	0.6
127.07543	0.5
129.07019	1.0
131.08589	0.6
133.10147	1.1
135.08072	0.7
135.11678	2.8
143.08588	1.1
145.10153	2.0
147.08063	0.6
147.11714	2.1
149.02301	0.6
163.03964	0.9
163.11205	3.9
165.09015	0.5
171.11707	1.7
176.81317	0.5
181.12280	0.5
184.07355	0.7
185.04240	0.5
189.12912	0.6
203.05190	0.6
207.13780	0.7
227.12833	2.6
229.07468	0.9
229.14464	0.6
243.08434	2.6
247.13127	1.2
249.11005	7.8
251.23334	0.4
305.13708	1.3
355.30188	0.6
417.77832	0.5
465.20950	10.6
467.18933	7.6
529.28149	0.7
691.32977	100.0
692.33575	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	690.4788
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.8
54.84796	0.7
55.01867	1.1
55.05516	8.5
55.47723	0.7
57.03192	1.0
57.03440	13.4
57.07078	23.2
59.05011	0.9
61.02927	2.2
62.04620	0.7
67.05508	27.3
69.03407	0.9
69.07075	12.8
71.01350	2.2
71.04990	2.7
71.08636	14.9
74.09707	1.2
79.05072	1.5
79.05499	20.0
79.41515	0.8
81.03404	3.6
81.07066	18.2
83.04987	5.5
83.08611	7.6
85.02892	2.4
85.06535	2.2
85.10188	8.7
86.09718	2.5
91.03955	1.1
91.05479	8.0
93.07048	25.6
95.04942	1.7
95.08616	13.6
97.02864	1.6
97.06541	6.0
97.10176	10.0
99.04455	0.9
99.08089	2.0
99.75714	0.7
102.38017	0.8
105.07006	1.9
107.04974	1.1
107.08598	21.1
109.10165	8.3
111.08070	2.0
117.07011	2.3
118.91071	0.8
119.08612	3.9
121.06536	0.8
121.10171	4.0
123.11734	1.8
125.00005	2.0
125.09703	1.2
130.07837	0.9
133.10130	1.5
135.11693	34.3
135.12723	1.8
144.01279	0.8
145.10130	5.3
163.11203	5.0
181.12241	8.7
184.07352	8.5
199.13026	1.0
208.91832	0.8
224.16422	0.8
229.14351	3.2
239.23752	1.5
255.15921	100.0
257.24835	0.9
313.27383	47.7
339.28876	2.4
383.35486	0.8
493.38901	81.5
494.39136	1.4
660.99194	0.9
690.48053	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	690.3917
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27839	0.5
53.03937	1.5
55.01860	1.9
55.05505	1.3
55.46937	0.4
57.03202	0.4
57.03442	7.1
59.05004	100.0
61.02911	1.8
67.05507	3.0
68.99788	0.6
69.03435	5.5
69.07047	1.8
70.06575	1.6
71.04984	1.4
71.17336	1.1
72.08160	0.6
72.31545	0.4
73.02913	1.7
76.03330	0.5
79.05503	2.5
81.03421	8.9
81.07049	3.3
82.07455	0.4
83.04984	0.7
83.08608	1.2
83.19263	0.5
84.08128	0.8
85.02908	12.7
86.09758	0.5
87.00459	0.4
87.00843	3.9
87.04484	0.7
91.03939	0.6
91.05493	2.3
93.07047	2.6
95.05002	2.2
95.08586	1.5
97.02892	7.0
97.06547	1.4
97.10159	1.1
99.04459	3.2
99.08080	1.6
100.07610	0.5
101.06036	0.6
101.09650	1.0
105.01875	3.4
105.03383	0.6
105.07016	2.1
106.07360	0.6
107.04927	1.6
107.08588	1.9
109.02889	6.4
109.06481	0.8
109.10163	1.1
110.40427	0.5
111.04440	1.2
111.08067	0.5
115.07591	3.0
117.01851	0.5
117.09135	39.6
119.08575	1.0
121.06522	1.2
121.10133	1.2
122.10371	0.5
123.04440	0.7
123.08115	0.7
125.06099	0.6
125.09674	0.5
127.03928	8.5
129.01877	0.7
129.07008	0.5
131.08548	1.6
133.10133	0.6
135.08017	0.8
135.10156	0.6
135.11656	1.1
139.03897	1.0
143.08585	0.6
145.04930	2.7
145.10100	1.3
147.11673	0.7
149.09599	1.2
151.11140	0.5
157.10114	0.9
159.02905	2.7
163.03941	1.6
163.07610	0.6
163.11140	1.0
167.07030	1.5
173.11810	0.8
175.03923	0.5
175.13310	24.2
184.07336	1.3
191.07033	1.1
191.10762	0.8
193.12358	0.7
193.14355	1.6
197.04366	0.5
198.26323	0.4
207.06534	1.2
209.11768	0.6
210.75873	0.5
213.03885	0.7
226.11230	0.5
229.14311	0.6
231.04953	1.7
233.15279	0.8
233.17474	10.9
251.18568	5.0
259.09622	1.0
267.15930	1.6
273.04187	0.5
289.08957	0.9
291.21628	2.4
301.16611	0.8
304.05780	0.6
309.22653	1.7
367.26767	1.6
407.24551	0.5
425.31100	24.9
457.25836	1.4
460.27692	0.5
475.26923	4.2
493.28073	2.5
528.31696	0.8
690.37506	1.1
691.40350	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	690.3691
Annotation	Unknow
Peak:m/z	Relative Intensity
52.90729	1.3
53.03935	3.7
53.96228	1.4
55.01866	5.1
55.05515	14.8
56.96569	1.3
57.03441	12.2
61.02927	3.7
67.05503	25.2
69.03436	5.4
69.07066	6.7
69.95470	1.2
70.06577	1.8
70.21315	5.2
71.04993	5.4
72.04514	1.5
72.08160	1.2
73.02919	3.0
79.05493	27.5
81.03419	42.6
81.07061	26.7
82.41615	1.3
83.04983	12.0
83.08620	18.0
85.02907	18.6
91.03987	3.5
91.05476	24.2
93.07044	29.2
95.04968	19.2
95.08606	29.0
96.04429	1.4
97.02882	13.2
97.06534	4.9
97.10186	4.3
98.20720	1.3
98.97577	1.4
99.04445	4.2
103.03908	1.5
105.07038	14.4
107.04975	11.0
107.08600	20.6
109.06516	4.5
109.10133	9.8
111.04459	4.0
111.08092	8.3
115.05457	1.6
117.07018	9.6
119.08575	19.9
121.06513	6.3
121.10144	12.7
123.08050	2.0
123.11712	1.9
125.06003	2.1
125.09637	2.3
127.03875	1.5
128.06177	1.5
129.05470	2.5
129.07014	8.6
131.08594	8.7
133.06447	2.1
133.10133	10.2
135.08073	2.2
135.11697	33.4
137.09604	1.6
139.03922	2.1
139.07516	1.6
142.07806	2.1
145.10127	21.9
147.08032	2.9
147.11638	8.4
149.09612	3.9
153.12770	3.0
157.10123	8.6
163.03944	2.8
163.11186	44.9
165.12769	3.2
173.09633	1.5
173.11815	1.6
175.11194	7.4
181.12244	9.1
184.07376	4.5
193.12260	21.0
209.11774	3.1
211.13295	23.8
227.12776	48.3
227.14946	2.6
229.07483	2.1
229.14340	3.5
247.13258	2.8
267.09082	3.2
267.15930	36.6
283.15396	55.4
285.10120	3.2
285.16959	48.1
301.16418	3.6
310.42053	1.4
414.18195	1.6
475.26913	34.7
493.27957	100.0
494.28265	4.1
586.29230	10.0
690.31091	30.7
691.34692	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	690.3692
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.9
53.91552	0.4
55.01867	2.6
55.05513	8.2
57.03443	6.2
59.04986	0.9
61.02918	1.6
65.03932	1.2
67.05509	16.6
69.03426	3.0
69.07072	4.7
70.16007	2.1
71.01352	0.5
71.04996	2.8
72.08165	0.6
73.02920	1.9
74.09731	0.7
79.05497	17.2
81.03420	22.6
81.06586	0.9
81.07060	15.6
83.04977	6.4
83.08622	11.9
85.02441	0.7
85.02914	9.7
85.06551	1.1
87.04494	0.6
91.03955	0.8
91.05486	12.9
93.03384	0.5
93.07049	20.6
93.07640	1.1
94.07420	0.5
95.04972	15.5
95.08611	21.3
97.02897	5.4
97.06529	3.5
97.10168	1.7
99.04478	2.8
99.08069	0.7
101.02364	0.5
103.05498	0.8
105.07037	11.0
105.48585	0.5
107.04964	7.4
107.08604	18.6
109.02877	0.5
109.06509	3.1
109.10159	5.4
110.10540	1.0
111.04433	2.6
111.08080	5.0
113.06024	1.5
115.05441	0.6
117.07011	4.9
119.08590	11.1
121.06503	3.6
121.10152	11.2
123.04427	0.8
123.08065	1.6
123.11723	0.9
125.06004	2.1
125.09638	1.0
127.07579	0.6
129.05452	0.5
129.07002	4.5
130.07846	0.5
131.08569	4.4
133.06503	1.6
133.10127	6.3
135.08076	2.4
135.11703	27.8
137.09583	0.9
139.07545	1.0
139.11246	0.6
142.07820	1.0
143.08582	0.6
145.02840	0.6
145.10136	16.6
145.11290	0.8
147.08098	1.3
147.11705	6.6
149.09650	2.4
151.11180	1.9
153.12811	0.8
157.10129	5.2
163.03935	1.2
163.11192	39.6
165.12781	1.6
173.09683	1.4
173.11737	0.6
175.11192	6.4
181.12241	7.8
182.05171	0.4
184.07361	0.7
193.12241	17.5
209.11676	1.5
211.13319	15.2
227.12791	38.6
228.13100	0.9
229.14436	0.8
239.95790	0.6
267.15930	21.7
268.16342	0.9
283.15402	40.2
285.16977	32.6
285.20221	1.1
359.89957	0.5
413.17874	1.9
414.18170	2.4
475.26941	26.5
476.27039	1.0
493.27979	100.0
494.28183	2.6
496.02884	2.6
585.28833	2.2
586.19604	0.8
586.29102	15.8
587.28748	0.6
690.11017	0.6
690.33875	3.0
706.05524	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	690.3691
Annotation	Unknow
Peak:m/z	Relative Intensity
52.90729	1.3
53.03935	3.7
53.96228	1.4
55.01866	5.1
55.05515	14.8
56.96569	1.3
57.03441	12.2
61.02927	3.7
67.05503	25.2
69.03436	5.4
69.07066	6.7
69.95470	1.2
70.06577	1.8
70.21315	5.2
71.04993	5.4
72.04514	1.5
72.08160	1.2
73.02919	3.0
79.05493	27.5
81.03419	42.6
81.07061	26.7
82.41615	1.3
83.04983	12.0
83.08620	18.0
85.02907	18.6
91.03987	3.5
91.05476	24.2
93.07044	29.2
95.04968	19.2
95.08606	29.0
96.04429	1.4
97.02882	13.2
97.06534	4.9
97.10186	4.3
98.20720	1.3
98.97577	1.4
99.04445	4.2
103.03908	1.5
105.07038	14.4
107.04975	11.0
107.08600	20.6
109.06516	4.5
109.10133	9.8
111.04459	4.0
111.08092	8.3
115.05457	1.6
117.07018	9.6
119.08575	19.9
121.06513	6.3
121.10144	12.7
123.08050	2.0
123.11712	1.9
125.06003	2.1
125.09637	2.3
127.03875	1.5
128.06177	1.5
129.05470	2.5
129.07014	8.6
131.08594	8.7
133.06447	2.1
133.10133	10.2
135.08073	2.2
135.11697	33.4
137.09604	1.6
139.03922	2.1
139.07516	1.6
142.07806	2.1
145.10127	21.9
147.08032	2.9
147.11638	8.4
149.09612	3.9
153.12770	3.0
157.10123	8.6
163.03944	2.8
163.11186	44.9
165.12769	3.2
173.09633	1.5
173.11815	1.6
175.11194	7.4
181.12244	9.1
184.07376	4.5
193.12260	21.0
209.11774	3.1
211.13295	23.8
227.12776	48.3
227.14946	2.6
229.07483	2.1
229.14340	3.5
247.13258	2.8
267.09082	3.2
267.15930	36.6
283.15396	55.4
285.10120	3.2
285.16959	48.1
301.16418	3.6
310.42053	1.4
414.18195	1.6
475.26913	34.7
493.27957	100.0
494.28265	4.1
586.29230	10.0
690.31091	30.7
691.34692	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	690.3332
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	1.0
53.37073	0.5
55.01869	0.9
55.05519	3.3
57.03438	11.6
59.04992	0.6
60.96713	0.5
61.02936	1.3
65.03958	0.6
67.05502	3.4
67.31738	0.5
69.03426	3.7
69.07079	0.9
69.84348	1.2
69.84776	1.9
71.01364	1.2
71.04996	67.6
73.02915	4.1
73.77630	0.6
75.04486	4.6
79.05490	3.2
81.03409	1.6
81.07069	6.4
83.04990	10.4
85.02908	99.5
87.04488	2.7
88.21618	0.5
91.05472	5.0
91.66564	0.5
93.07047	5.7
95.04988	1.8
95.08600	5.5
97.02902	5.7
97.06544	0.6
98.21526	0.6
99.00842	0.6
99.04446	3.8
101.06022	0.8
103.03944	1.5
103.05477	1.3
105.07039	5.6
107.08607	6.8
109.02892	1.8
109.06548	0.6
109.10159	4.6
110.06017	0.9
111.04453	7.7
117.07033	3.7
119.08583	4.9
121.06493	0.6
121.10147	2.8
123.04450	1.3
125.05985	1.4
127.03951	3.9
128.06232	0.6
129.05486	37.4
129.06885	3.1
131.04956	1.7
131.08562	7.7
133.06462	0.6
133.10139	2.9
135.04427	1.0
135.08112	0.6
135.11687	1.4
137.05991	0.7
141.07039	2.1
142.07828	0.8
143.08569	5.8
145.04984	2.2
145.10118	6.1
146.08112	2.7
147.06532	18.8
147.11684	2.3
149.05986	1.0
149.09647	1.0
155.08568	6.0
157.10136	7.1
159.06670	1.1
159.08076	1.9
159.11684	4.1
163.03955	0.6
163.06122	0.9
163.07584	1.7
164.09200	10.2
164.10571	0.7
167.08585	1.5
169.10168	5.1
171.08028	0.7
171.11665	3.3
173.09651	1.7
173.13213	0.6
175.11215	0.8
175.79103	0.6
177.09100	4.1
179.07042	0.7
179.08514	1.0
181.10184	3.7
182.10849	0.9
183.11708	8.3
185.09660	1.3
185.13300	2.2
187.07547	1.2
187.11243	1.0
189.09151	2.0
191.10670	1.9
195.11700	4.7
197.09505	0.6
197.13271	4.9
199.14780	0.6
201.09084	1.4
201.12799	0.7
203.10724	2.3
204.14864	0.6
207.11737	1.9
209.09760	1.1
209.13219	4.0
211.11171	4.1
211.14839	3.9
213.09138	0.7
213.16411	1.0
215.10692	0.9
219.11687	1.2
221.13268	1.0
223.11302	1.4
223.14775	0.7
225.12794	1.8
225.16441	1.8
227.10703	1.5
229.12268	2.5
237.07558	0.8
237.12775	3.6
237.16354	6.9
239.14310	2.6
239.17928	7.8
241.12277	0.7
243.13744	0.7
247.14836	1.1
249.16489	1.1
251.10674	1.0
255.08678	2.3
255.13785	1.7
255.17363	3.3
257.19019	0.8
265.13074	0.8
265.15768	4.5
267.17441	44.2
268.17819	0.7
273.09796	1.9
283.14191	0.7
283.16931	36.4
285.18494	100.0
286.18845	1.6
293.15347	1.3
297.18298	0.6
301.14789	1.1
301.17981	9.5
303.19815	1.0
309.11801	1.9
311.16455	3.8
323.54382	0.6
329.17477	54.9
330.17606	1.1
347.18542	63.6
348.18631	1.2
359.18622	1.5
365.19608	8.3
395.22659	1.2
413.23251	2.1
421.20190	1.4
431.24319	0.8
439.21500	3.0
457.22089	1.3
475.23288	1.3
621.32690	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	689.4258
Annotation	Unknow
Peak:m/z	Relative Intensity
51.46777	3.1
53.03944	9.3
55.01863	5.7
55.05512	29.4
57.03434	14.1
57.07067	8.3
59.04969	4.0
61.02909	8.8
67.05511	75.2
69.03427	28.7
69.07076	22.3
69.42612	22.4
71.04986	8.2
71.08630	3.9
71.39023	2.9
73.02913	8.0
79.05498	50.0
81.03418	64.6
81.07061	65.4
83.04983	19.5
83.08616	10.0
85.02902	12.4
86.09714	10.0
91.03967	8.1
91.05491	46.4
93.07043	54.3
94.06252	3.3
95.04963	9.9
95.08609	42.0
97.02891	28.0
97.06554	10.5
97.10205	5.6
99.04466	5.8
99.49329	3.0
105.07027	45.2
107.04951	6.6
107.08598	29.7
108.33901	3.1
109.02885	8.0
109.06508	5.7
109.10186	15.7
111.08097	4.9
115.05377	3.7
117.07027	21.1
119.08566	36.5
121.06501	6.9
121.10141	18.7
123.08061	4.6
123.11758	5.2
125.00034	8.1
127.03918	7.5
128.06235	6.6
128.22752	3.7
129.05484	7.0
129.07045	15.9
131.08569	36.2
133.10149	28.6
135.08081	7.6
135.11708	13.4
141.07021	7.9
142.07718	3.8
142.17668	2.9
143.08597	21.3
145.06511	3.8
145.10132	33.6
147.08009	4.1
147.11731	14.7
149.13257	12.1
151.11209	4.3
155.08603	10.6
157.10161	26.9
159.11690	24.2
161.09554	5.1
161.13235	6.5
165.12848	5.0
167.08569	5.1
168.09439	3.7
169.10089	15.6
171.11630	15.3
173.04445	13.9
173.13263	13.0
175.14856	3.7
181.10123	6.0
183.11641	16.5
184.07364	39.9
185.07799	7.2
185.09505	3.5
185.13264	10.5
187.14885	4.0
188.35300	3.1
193.10162	4.7
195.11746	6.0
197.09669	4.1
197.13237	10.2
199.06023	3.0
199.14848	6.7
207.11635	3.2
209.13304	4.0
211.14772	5.8
221.13148	4.0
223.14803	4.6
225.16306	5.6
237.16322	4.2
259.20496	8.9
267.15970	6.6
269.17584	9.0
309.22351	3.9
315.23059	4.6
333.24670	4.2
334.89325	4.0
351.23065	3.5
367.22446	5.0
411.54276	3.7
435.32501	9.0
453.33542	7.1
509.36053	8.3
527.37335	100.0
528.37860	4.5
529.39093	5.4
545.38385	7.5
561.36188	4.1
635.39233	9.2
653.40131	6.6
671.41675	14.5
689.42480	55.3
690.42053	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	689.3502
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.3
53.91441	0.3
55.01883	0.6
55.05510	1.5
56.96574	0.3
57.03442	1.6
57.07075	0.4
57.92603	0.3
61.02927	2.7
65.03940	0.4
67.05508	6.0
69.03435	2.3
69.07059	1.7
70.06583	0.4
71.05000	0.9
73.02925	2.2
75.57533	0.3
79.05499	6.2
81.03411	2.5
81.07062	3.9
83.04987	1.3
83.08646	0.8
85.02905	3.9
86.09718	1.1
91.03955	1.7
91.05480	5.1
93.07047	6.8
95.04985	1.5
95.08617	2.4
97.02883	2.6
97.06535	0.5
97.10158	0.6
99.04452	0.7
101.02403	1.1
103.03952	0.6
104.10733	0.6
105.07024	3.9
107.04949	0.9
107.08598	2.3
109.02867	1.0
109.06546	0.7
109.10188	1.2
117.07063	1.0
119.08568	2.9
121.06520	0.7
121.10162	1.0
123.08070	0.7
125.00031	1.1
125.09631	0.4
127.03934	1.6
129.07007	1.5
131.08609	0.7
133.10172	1.1
143.08562	1.1
145.10185	1.4
147.08076	0.4
147.11658	3.3
159.11757	0.5
161.09682	0.5
161.13345	0.8
163.11256	0.4
171.11758	2.0
173.11850	0.4
184.07346	3.5
185.04352	0.5
189.12791	0.5
207.13907	1.0
229.07544	0.5
229.14435	0.7
243.08409	2.2
247.13004	2.0
267.09076	0.5
285.10175	0.5
465.21027	14.9
689.35065	100.0
690.35437	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	689.351
Annotation	Unknow
Peak:m/z	Relative Intensity
50.86585	0.3
53.03936	1.3
55.01860	0.3
55.05507	1.2
57.03425	1.0
61.02937	3.1
67.05506	5.3
69.03435	2.1
69.07079	1.5
69.77681	1.6
71.04993	0.8
73.02919	2.4
76.78004	0.3
79.05492	6.1
81.03429	2.9
81.07057	4.2
83.04972	1.3
83.08615	1.4
85.02907	3.7
85.06565	0.7
85.41937	0.3
86.09724	0.5
87.04429	0.3
91.03970	2.3
91.04435	0.3
91.05481	5.3
93.07049	4.9
95.04977	2.2
95.08624	2.8
97.02905	3.3
97.06545	0.5
97.10163	0.5
99.04459	1.0
101.02406	1.4
105.07045	4.4
107.04948	0.9
107.08598	1.9
109.02879	0.9
109.06522	1.0
109.10171	1.4
115.03945	0.5
117.07018	0.7
119.08579	2.4
121.10148	0.8
123.08049	0.8
125.00079	0.4
125.09659	0.4
127.03915	1.1
128.06163	0.4
129.07018	1.6
131.08607	0.7
133.10167	1.4
135.11659	0.5
143.08572	0.9
145.04913	0.4
145.10132	1.2
147.11705	3.1
153.32771	0.3
159.11676	0.4
161.09563	0.5
161.13300	1.4
163.11179	0.6
171.11633	1.9
184.07355	1.1
185.04178	0.4
185.87723	0.3
189.12747	0.5
207.13853	0.9
229.07695	0.3
229.14346	0.5
243.08409	2.1
245.55324	0.3
247.13022	2.1
281.17569	0.7
303.15598	1.6
349.17010	0.4
391.25616	0.3
465.20990	14.4
527.30042	0.5
630.49463	0.4
689.35046	100.0
690.35571	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	689.3358
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01910	0.6
55.05571	1.1
56.96590	0.4
57.03495	1.6
59.05034	0.6
61.02990	3.9
67.05183	0.9
67.05573	11.2
69.03500	2.3
69.07125	0.7
69.47081	2.2
71.01421	0.4
71.05072	1.1
73.02991	2.5
79.05582	1.2
81.03432	2.8
81.07068	2.9
83.05034	0.7
83.08701	0.9
85.02905	4.7
85.06612	0.7
87.04539	0.3
91.03960	2.9
91.05496	1.5
93.07036	1.8
95.05077	1.1
95.08692	1.3
97.02908	3.6
97.06562	0.5
98.21484	0.5
99.04533	0.9
101.02490	1.2
103.04041	0.5
105.07127	0.9
107.05061	0.5
107.08720	1.2
109.02982	1.0
109.06573	0.4
109.09465	0.5
109.10162	12.7
110.10633	0.3
111.04539	0.6
111.08167	0.7
117.07144	0.4
119.08686	1.1
121.10217	0.7
123.11870	0.4
125.09747	0.4
127.03915	1.7
129.05582	0.7
131.08673	0.6
133.10204	0.6
135.11824	0.5
137.09702	0.8
139.04039	0.4
145.05032	0.6
145.10237	0.6
147.11818	0.3
155.10648	1.5
159.11868	0.4
163.04080	0.5
163.11327	0.6
173.11760	4.3
184.07506	0.7
185.04370	0.7
195.09959	1.9
201.16513	0.4
209.12039	0.4
229.14363	3.9
243.08450	2.4
251.12772	1.1
413.17847	27.9
414.18079	0.4
423.23483	0.5
509.27863	0.4
517.22717	0.6
584.23004	0.3
585.28827	100.0
586.29248	2.9
639.69495	0.4
643.33118	0.9
671.32208	0.8
689.33380	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	689.1714
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01591	0.6
50.82225	0.3
51.02377	1.3
53.03947	4.9
55.05481	0.4
57.03435	0.8
67.05502	0.6
69.03436	0.7
69.07059	0.3
70.06580	0.3
70.56859	1.0
73.02927	0.5
77.03912	1.4
79.05476	0.8
81.03416	1.5
81.07056	0.7
83.50095	0.3
85.02916	3.5
91.05472	0.6
95.04972	5.5
95.08632	0.6
97.02881	1.2
97.06534	0.3
98.97550	0.3
103.03955	2.5
105.03394	82.2
105.04533	3.3
106.03707	0.4
109.02889	0.5
109.10162	0.6
115.05472	0.3
119.08601	0.3
121.02924	0.4
121.10162	0.4
123.04413	1.5
127.03865	0.4
153.01843	1.1
159.97406	0.3
163.03923	1.2
165.05499	0.5
165.09105	1.0
167.03485	0.6
169.22859	0.3
177.05527	0.7
181.05000	1.9
186.08707	0.3
187.03951	0.9
189.05484	0.5
194.14680	0.3
201.05515	1.1
205.04941	0.3
207.06464	1.7
211.03932	0.8
215.03435	1.2
217.04988	1.9
218.05724	0.5
221.08070	0.3
225.05554	0.5
228.04187	1.2
229.04953	0.8
231.02794	0.4
232.03671	0.4
233.04440	3.3
239.03442	1.4
243.02968	1.1
243.06656	0.4
245.04440	2.3
246.05165	2.1
253.05009	1.0
256.03690	2.6
257.04428	5.7
258.05099	0.4
260.03159	2.2
261.03943	8.8
267.02853	1.8
269.04477	0.8
271.03033	0.3
271.05862	1.4
273.03943	30.2
274.01697	0.7
274.04700	14.1
275.05399	1.6
280.03537	0.4
281.04547	1.7
285.03940	36.3
286.04309	0.7
287.02380	0.5
287.05548	2.8
295.06052	2.6
297.03976	2.7
298.04788	1.7
299.02368	0.3
299.05530	4.9
301.03503	1.3
303.04990	100.0
304.05411	1.2
309.04010	0.7
311.05344	0.5
313.03397	1.0
313.07141	1.7
315.04916	1.8
323.05515	3.8
325.03448	0.9
327.05005	24.8
328.05377	0.4
329.17294	0.3
339.05038	0.4
341.06638	1.1
345.06155	0.7
351.04990	11.9
369.06046	9.1
387.06888	1.9
465.10318	1.8
473.08835	0.8
491.09705	4.3
509.10815	14.4
510.11282	0.4
527.11865	48.2
528.12170	1.3
628.01630	0.3
689.17188	0.7
689.27704	0.7
689.37927	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	688.3542
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03910	1.5
55.01842	2.3
55.05513	6.3
57.03437	4.2
57.07037	0.7
61.02896	1.4
67.05511	12.4
69.03392	1.6
69.07071	4.0
69.72003	1.3
69.72389	1.5
71.04961	1.9
72.08131	1.0
73.02901	1.2
79.05494	17.2
81.03416	4.1
81.07055	13.6
82.03707	0.5
83.04951	2.4
83.08622	7.4
85.02877	1.8
85.06525	0.7
86.09697	0.8
87.04448	0.5
91.05488	6.7
93.07044	23.8
95.04420	0.7
95.04967	5.2
95.08609	27.1
96.04469	0.6
97.02899	4.5
97.06513	3.3
97.10140	0.7
98.97533	0.6
99.04477	3.2
99.04996	0.7
103.05449	0.7
105.07016	5.8
107.04959	7.0
107.08596	23.5
109.06503	2.4
109.10160	4.4
111.04436	1.6
111.08047	1.2
113.05990	0.7
117.07024	6.2
119.07813	0.6
119.08587	7.6
121.06525	4.4
121.09321	0.8
121.10143	10.7
123.08018	0.8
123.11723	0.5
124.39005	0.5
125.06019	2.5
127.07545	0.9
129.07019	0.7
130.07799	1.0
131.08562	1.4
133.10094	2.1
135.08017	1.6
135.11693	44.2
139.07512	2.3
143.08557	1.2
145.10123	23.8
153.12706	0.9
163.03868	1.1
163.11183	61.0
164.11479	0.7
170.40857	0.5
173.09581	0.7
181.12227	11.4
184.07332	1.6
191.10678	0.6
193.12219	0.7
209.11720	2.0
227.12782	64.9
228.13246	0.8
229.14296	0.9
267.15918	0.7
281.17319	0.7
283.15399	87.2
284.15750	1.2
301.13379	0.6
413.17847	2.2
473.29120	1.0
491.26422	100.0
492.26523	1.5
509.27393	0.8
585.28748	5.8
688.37335	1.5
713.89764	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	688.26
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01596	0.6
51.02375	0.9
53.03939	2.4
55.01870	0.9
55.05523	0.6
57.03436	1.5
67.05511	0.8
69.03429	7.3
69.97456	2.4
70.06578	2.5
71.04973	0.6
72.08152	1.1
73.02888	0.6
78.03458	11.9
79.05504	0.9
80.05030	2.2
81.02074	0.5
81.02988	1.0
81.03429	13.4
81.07066	0.5
81.66693	0.5
85.02915	6.2
90.26815	0.5
91.05496	2.9
93.07045	0.6
95.04985	0.6
96.04489	3.8
97.02905	5.5
98.21379	0.7
98.97556	0.5
99.04462	2.7
105.07008	1.5
106.02920	41.3
107.04971	1.7
109.02881	7.8
115.05452	2.4
116.06221	0.8
117.03348	0.8
117.07011	1.5
119.04907	0.6
121.06510	0.7
122.05984	0.7
123.04418	1.3
124.03958	99.0
127.03921	4.2
128.06264	2.9
129.07011	6.5
131.04930	0.8
131.08574	8.3
133.06493	1.4
135.04420	1.1
137.02324	0.7
137.05983	1.4
138.05482	0.9
139.03891	1.9
140.07045	1.0
141.06998	3.0
142.07785	0.8
143.08574	1.8
144.05737	3.5
145.06464	3.1
146.07228	0.7
147.04372	1.6
151.03906	0.7
153.07004	1.1
154.04976	0.6
156.05682	0.6
157.06476	4.3
158.07246	1.5
159.08058	16.5
159.09059	0.7
160.05180	0.7
161.05988	2.1
161.09633	3.2
163.03915	4.5
164.04222	1.0
166.05000	1.4
167.07024	7.3
169.06430	1.1
169.07693	1.3
170.07269	8.1
171.08046	2.4
172.05272	1.2
173.06000	2.3
173.09732	0.6
174.06862	1.0
175.03874	0.9
175.07591	1.2
177.05463	0.7
181.08565	2.0
187.07535	13.6
188.08255	0.7
189.05482	1.6
189.09154	4.9
190.06285	0.6
191.06984	1.1
192.07846	0.6
193.08562	1.3
198.06754	1.6
199.07501	1.4
201.09070	1.8
203.07034	2.2
204.06438	0.6
204.07877	6.1
205.08571	1.2
215.07057	0.9
216.07834	3.3
217.08653	1.6
219.10170	6.6
221.11739	2.1
226.07077	1.2
231.10172	42.1
232.06021	1.1
232.10506	1.0
233.11734	6.8
237.11163	1.6
239.11633	0.7
241.08717	0.7
246.07603	0.6
249.11237	100.0
250.07098	12.5
250.09491	0.8
250.11443	1.3
251.12762	1.6
259.09723	0.8
265.09683	0.8
267.12061	1.8
268.08163	56.5
269.08624	0.7
279.10931	0.5
284.07675	3.9
324.06326	0.5
335.10175	0.7
342.10638	0.8
353.11386	0.6
385.16476	1.6
411.39987	0.6
486.17557	2.5
492.52081	0.6
498.17813	0.6
504.18631	1.9
516.12708	0.5
516.18884	5.4
638.22833	1.3
652.23572	0.7
688.26398	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	688.2422
Annotation	Unknow
Peak:m/z	Relative Intensity
51.98886	0.5
53.03947	0.8
55.01884	1.5
55.05524	0.5
56.96581	0.6
57.03443	0.8
61.02914	0.7
65.03938	2.0
67.05523	2.8
68.99815	0.6
69.03443	1.6
69.07082	0.8
70.06618	1.5
70.62955	1.2
70.63329	1.1
71.05006	0.9
72.08153	0.7
77.03946	0.6
79.05492	3.4
81.03429	3.0
81.07077	1.6
85.02901	3.0
89.03921	1.0
91.05482	6.5
93.07059	1.8
94.04180	1.0
95.04975	3.2
95.08611	0.8
96.08879	0.7
97.02887	9.1
97.06534	1.9
98.97617	0.9
103.05468	16.6
105.03408	1.4
105.07023	2.9
107.04954	4.5
107.08604	2.0
108.02076	0.8
109.02894	1.0
109.06506	1.5
109.10176	1.4
111.04439	1.3
115.05481	2.4
117.03384	0.8
117.07056	3.2
118.04166	3.2
119.04947	6.9
119.08588	1.7
121.02880	1.1
121.06515	2.0
121.10124	1.2
122.03648	3.2
123.04449	2.5
124.04062	0.6
125.06012	2.0
128.06235	0.8
129.07008	1.4
130.04196	0.8
131.04933	29.3
131.08589	1.2
132.05707	0.8
133.02878	3.0
133.06509	3.5
133.10135	1.1
135.04355	1.1
135.08069	1.6
137.05977	57.7
138.06398	0.6
139.03891	1.7
141.05464	1.2
142.02582	0.7
143.04955	1.6
145.02850	2.4
145.06487	3.9
146.03625	1.0
147.04411	8.4
147.08041	1.6
147.11711	0.7
148.05196	8.2
149.00638	1.2
149.05998	1.8
150.01299	0.7
151.03908	78.1
151.04982	4.8
151.07539	2.4
152.04268	0.7
153.05473	2.2
155.05934	0.6
157.06462	1.2
159.04407	0.8
159.07994	0.8
160.05266	1.2
161.05954	3.5
162.06760	0.7
163.03888	6.9
163.07549	20.7
164.04259	1.5
165.05533	2.9
165.09106	2.1
167.07025	9.3
171.04422	1.1
171.06473	0.9
173.05986	2.7
175.03937	2.2
175.07599	5.9
176.04645	2.1
177.05467	4.1
177.07817	0.6
177.09140	1.3
178.00829	1.6
178.05807	0.8
179.07074	4.7
181.04948	18.1
181.06546	1.0
181.08507	0.6
185.05960	0.7
187.07591	2.1
189.05504	2.0
189.07133	0.6
189.09090	1.6
191.07028	100.0
192.07547	1.0
193.01500	1.1
193.03201	14.3
193.04910	1.2
193.08601	2.1
195.06526	0.8
201.05537	0.8
203.07042	3.7
205.06790	0.7
205.08601	3.0
207.06520	4.2
207.08238	0.9
207.10101	1.5
208.06841	1.1
208.13391	0.9
209.08064	5.1
209.09660	0.5
215.06964	1.3
217.08650	1.1
219.08199	1.0
219.10193	2.0
222.06612	0.7
223.09581	1.2
231.06526	1.4
233.06073	0.7
233.08075	3.4
234.06642	0.6
235.07587	1.3
235.09642	3.7
237.09085	2.0
245.08005	1.6
247.05809	0.9
249.09084	1.1
251.06955	0.6
259.09601	1.0
263.03568	0.6
263.09149	19.9
265.08716	1.3
267.09973	0.7
267.15729	0.8
269.04404	0.6
269.11835	0.9
277.08548	1.9
282.07907	2.2
293.08026	1.0
295.09555	1.3
297.11188	0.9
299.12653	0.7
300.09073	0.8
307.09692	0.8
309.11127	1.5
314.11368	0.8
325.10712	1.3
327.12180	3.7
329.13773	1.4
337.10663	1.2
339.12292	0.9
341.13660	1.0
351.12173	2.2
355.07639	0.6
355.11749	9.0
357.13251	2.0
359.14752	1.2
366.16190	0.8
368.13068	0.6
369.13400	5.7
387.14395	43.8
388.14780	1.3
408.12775	0.6
517.18677	3.2
549.21014	1.4
587.66223	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	688.2422
Annotation	Unknow
Peak:m/z	Relative Intensity
51.98886	0.5
53.03947	0.8
55.01884	1.5
55.05524	0.5
56.96581	0.6
57.03443	0.8
61.02914	0.7
65.03938	2.0
67.05523	2.8
68.99815	0.6
69.03443	1.6
69.07082	0.8
70.06618	1.5
70.62955	1.2
70.63329	1.1
71.05006	0.9
72.08153	0.7
77.03946	0.6
79.05492	3.4
81.03429	3.0
81.07077	1.6
85.02901	3.0
89.03921	1.0
91.05482	6.5
93.07059	1.8
94.04180	1.0
95.04975	3.2
95.08611	0.8
96.08879	0.7
97.02887	9.1
97.06534	1.9
98.97617	0.9
103.05468	16.6
105.03408	1.4
105.07023	2.9
107.04954	4.5
107.08604	2.0
108.02076	0.8
109.02894	1.0
109.06506	1.5
109.10176	1.4
111.04439	1.3
115.05481	2.4
117.03384	0.8
117.07056	3.2
118.04166	3.2
119.04947	6.9
119.08588	1.7
121.02880	1.1
121.06515	2.0
121.10124	1.2
122.03648	3.2
123.04449	2.5
124.04062	0.6
125.06012	2.0
128.06235	0.8
129.07008	1.4
130.04196	0.8
131.04933	29.3
131.08589	1.2
132.05707	0.8
133.02878	3.0
133.06509	3.5
133.10135	1.1
135.04355	1.1
135.08069	1.6
137.05977	57.7
138.06398	0.6
139.03891	1.7
141.05464	1.2
142.02582	0.7
143.04955	1.6
145.02850	2.4
145.06487	3.9
146.03625	1.0
147.04411	8.4
147.08041	1.6
147.11711	0.7
148.05196	8.2
149.00638	1.2
149.05998	1.8
150.01299	0.7
151.03908	78.1
151.04982	4.8
151.07539	2.4
152.04268	0.7
153.05473	2.2
155.05934	0.6
157.06462	1.2
159.04407	0.8
159.07994	0.8
160.05266	1.2
161.05954	3.5
162.06760	0.7
163.03888	6.9
163.07549	20.7
164.04259	1.5
165.05533	2.9
165.09106	2.1
167.07025	9.3
171.04422	1.1
171.06473	0.9
173.05986	2.7
175.03937	2.2
175.07599	5.9
176.04645	2.1
177.05467	4.1
177.07817	0.6
177.09140	1.3
178.00829	1.6
178.05807	0.8
179.07074	4.7
181.04948	18.1
181.06546	1.0
181.08507	0.6
185.05960	0.7
187.07591	2.1
189.05504	2.0
189.07133	0.6
189.09090	1.6
191.07028	100.0
192.07547	1.0
193.01500	1.1
193.03201	14.3
193.04910	1.2
193.08601	2.1
195.06526	0.8
201.05537	0.8
203.07042	3.7
205.06790	0.7
205.08601	3.0
207.06520	4.2
207.08238	0.9
207.10101	1.5
208.06841	1.1
208.13391	0.9
209.08064	5.1
209.09660	0.5
215.06964	1.3
217.08650	1.1
219.08199	1.0
219.10193	2.0
222.06612	0.7
223.09581	1.2
231.06526	1.4
233.06073	0.7
233.08075	3.4
234.06642	0.6
235.07587	1.3
235.09642	3.7
237.09085	2.0
245.08005	1.6
247.05809	0.9
249.09084	1.1
251.06955	0.6
259.09601	1.0
263.03568	0.6
263.09149	19.9
265.08716	1.3
267.09973	0.7
267.15729	0.8
269.04404	0.6
269.11835	0.9
277.08548	1.9
282.07907	2.2
293.08026	1.0
295.09555	1.3
297.11188	0.9
299.12653	0.7
300.09073	0.8
307.09692	0.8
309.11127	1.5
314.11368	0.8
325.10712	1.3
327.12180	3.7
329.13773	1.4
337.10663	1.2
339.12292	0.9
341.13660	1.0
351.12173	2.2
355.07639	0.6
355.11749	9.0
357.13251	2.0
359.14752	1.2
366.16190	0.8
368.13068	0.6
369.13400	5.7
387.14395	43.8
388.14780	1.3
408.12775	0.6
517.18677	3.2
549.21014	1.4
587.66223	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	686.4476
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	1.8
55.01872	1.0
55.05512	10.0
57.03440	13.7
57.07078	2.1
59.04995	3.3
60.72472	0.5
61.02923	3.9
62.84674	0.5
65.03940	2.2
67.05508	91.5
69.03429	1.3
69.07067	7.4
70.68699	1.2
70.69031	1.1
71.05002	3.8
71.08630	1.1
72.25748	0.6
73.02917	0.8
79.05495	19.5
79.47342	0.5
81.03436	1.0
81.07061	35.2
83.04990	1.2
83.08620	7.6
85.02902	4.6
85.06547	3.3
91.03947	2.5
91.05486	11.2
93.07048	22.6
95.04983	1.4
95.08612	25.3
97.02901	2.4
97.06524	1.1
97.10161	2.2
99.08089	1.1
105.04538	0.6
105.07042	5.6
107.08592	13.3
109.06516	1.1
109.10161	74.7
111.08086	3.6
113.06039	0.7
113.09635	0.9
117.07019	2.6
119.08589	9.3
121.10159	9.9
123.08095	0.7
123.11700	3.1
125.09613	1.6
131.08607	4.2
133.10141	6.2
135.11713	6.3
137.09644	3.8
137.13232	1.0
145.10118	3.0
147.11665	3.4
149.09633	0.6
149.13264	4.0
155.10658	8.2
159.11714	2.2
161.13258	1.7
163.14833	2.4
173.11769	18.9
173.13274	2.1
175.14799	0.7
177.16460	0.8
187.14822	1.6
189.11221	0.9
189.16393	0.6
210.08044	0.6
227.12807	5.0
229.14362	100.0
230.14703	0.9
233.22565	0.8
243.21077	4.9
261.22174	16.0
317.24765	3.3
333.23801	0.6
335.25812	67.6
336.26010	1.6
379.29691	1.2
397.30841	1.5
415.31958	1.3
424.78989	0.7
433.32825	0.8
471.34335	1.5
489.35767	42.8
490.36047	1.1
507.36328	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	686.4476
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	2.0
55.05511	11.3
57.03439	12.4
57.07076	2.4
58.08277	0.8
59.04995	3.7
61.02922	5.0
65.03944	2.9
67.05507	100.0
68.81926	0.8
69.03430	2.1
69.07076	9.0
69.91374	2.0
69.91775	1.4
71.05006	3.5
71.08636	1.1
73.02920	1.8
77.44790	0.7
79.05497	21.5
81.07057	37.5
83.04997	0.9
83.08621	7.3
85.02917	3.9
85.06547	4.0
91.03987	1.7
91.05483	14.9
93.07049	27.0
93.07639	1.3
95.04974	1.8
95.08610	28.9
97.02919	2.7
97.06552	1.1
97.10188	1.6
99.08121	1.0
105.07031	7.9
107.08600	14.6
109.06516	0.9
109.10158	77.1
111.08103	3.1
117.07056	3.2
119.08581	9.8
121.10146	11.8
123.11739	3.3
125.09666	1.1
127.11214	1.0
131.08559	4.9
133.10114	4.3
135.11705	6.6
137.09645	2.7
137.13324	1.0
145.10155	3.5
147.11684	3.6
149.13274	4.9
155.10678	9.0
159.11638	3.5
161.13327	2.6
163.14877	2.2
171.11633	0.9
173.11784	20.4
173.13307	4.6
175.14948	1.8
177.16455	1.2
184.22778	0.7
187.14864	2.2
201.16428	0.9
214.61057	0.9
227.12744	4.2
229.14359	92.9
230.14775	0.8
243.21053	5.5
247.29721	0.8
261.22153	18.5
314.27954	0.9
317.24829	2.9
335.25800	80.7
336.26407	0.9
347.85245	0.8
379.30280	1.0
380.23193	0.7
397.30966	1.4
415.32275	1.4
471.34671	1.1
489.35764	68.3
490.36212	1.5
507.36902	4.3
599.34436	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	686.432
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05517	5.7
55.76157	0.8
57.03441	4.6
57.07079	41.1
61.02930	14.9
65.03901	0.9
67.05506	12.0
68.76194	0.8
69.03426	2.6
69.07070	6.8
71.08635	32.0
73.02921	4.8
75.04488	2.4
79.05476	1.2
81.03426	2.4
81.07058	20.1
83.04956	0.9
83.08622	12.7
85.02906	19.0
85.10188	18.9
85.10669	1.5
86.09705	2.2
87.04509	0.8
89.06045	1.5
90.94067	0.9
91.03961	14.9
91.05479	1.2
93.07064	2.5
95.04970	1.0
95.07999	1.4
95.08611	25.5
97.02907	8.5
97.10171	10.0
99.04440	1.0
103.07629	0.9
105.07038	1.5
109.10175	13.7
111.11735	3.0
121.10162	0.8
123.11743	5.7
124.99995	1.1
127.03918	5.4
136.60991	0.9
137.13275	3.0
145.04967	7.0
150.67897	0.8
163.06009	11.2
184.07336	5.4
198.95610	0.7
233.37823	0.8
235.24353	1.0
253.25288	18.3
271.26462	4.0
277.21704	1.0
313.27393	1.2
327.28937	100.0
328.29272	2.2
345.30002	46.7
417.75839	0.8
544.99786	0.9
686.42584	0.8
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
53.03923	2.2
55.01864	1.2
55.05513	8.1
57.03425	3.8
59.93382	1.0
61.02916	2.2
65.03919	1.5
67.05504	22.4
69.03410	1.5
69.07068	6.8
70.06586	1.0
70.24545	3.0
70.24934	2.2
71.04977	2.8
73.02899	1.6
79.05492	26.4
81.03413	4.2
81.07057	17.8
83.04964	5.6
83.08611	7.0
85.02897	2.8
85.06524	1.8
89.03265	1.0
91.03972	1.0
91.05485	16.9
93.07046	31.1
95.04965	7.5
95.08057	1.7
95.08611	21.5
97.02884	3.9
97.06525	3.4
97.10155	2.8
98.21397	1.3
99.04404	2.2
105.07035	13.1
107.04980	6.5
107.07903	1.1
107.08591	16.7
109.06493	2.6
109.10143	3.0
111.08094	1.2
117.06991	5.8
119.08558	11.0
121.06503	3.7
121.10156	8.0
123.08078	2.6
125.06018	1.6
127.03911	1.2
129.06987	4.1
131.08557	2.2
133.10167	4.8
135.08015	2.4
135.11694	21.3
143.08543	4.1
145.10129	19.3
147.11685	9.7
155.08549	1.4
157.54382	1.0
159.11700	1.5
161.09560	1.7
161.13254	3.5
163.11174	30.5
171.11670	7.9
181.12251	5.1
184.07509	1.4
189.12717	3.1
207.13820	5.8
209.11629	1.6
227.12782	32.4
281.17465	48.8
283.15399	28.3
402.28894	1.2
407.95862	1.1
413.20587	1.2
427.85983	1.0
472.42065	1.0
475.28976	2.2
489.28467	100.0
490.28934	3.4
554.26654	1.3
637.34064	1.2
686.16687	1.1
686.28094	2.4
686.38696	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	684.3953
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03959	4.2
55.01860	2.3
55.05515	11.4
55.78056	0.7
56.16132	0.7
56.96563	0.9
57.03438	5.4
59.05004	0.8
61.02927	1.7
65.03939	1.8
67.05506	33.9
69.03445	1.0
69.07068	8.5
70.21195	2.1
70.21587	1.4
71.04997	2.1
73.06551	1.4
77.03905	0.9
77.77192	0.8
79.05497	49.3
81.03417	8.4
81.07059	30.0
83.04980	9.2
83.08627	5.7
85.02899	1.8
85.06521	2.2
91.03977	0.8
91.05484	39.6
93.07046	49.7
95.04970	13.9
95.08614	18.3
97.02876	1.9
97.06531	4.2
97.10161	2.1
98.20857	0.8
103.05473	1.4
105.04507	2.2
105.07042	27.8
107.04932	5.2
107.08601	12.6
109.06529	3.9
109.10192	4.2
111.08099	1.2
115.05475	1.3
117.07037	6.9
119.08583	22.3
121.06507	2.8
121.10153	4.2
123.08057	4.2
128.06250	2.0
129.07033	12.4
131.08569	1.4
133.06598	1.3
133.10149	8.1
135.11703	2.3
141.09111	1.2
143.08572	7.5
145.10156	8.7
147.08105	1.2
147.10504	1.5
147.11685	27.0
151.11119	0.9
156.09322	1.0
161.09639	2.4
161.13260	8.8
163.11234	1.5
171.11685	16.0
172.11908	0.8
179.14339	3.1
184.58405	0.8
189.12755	8.3
207.13824	17.0
225.14935	2.1
236.16476	1.0
263.16144	1.1
277.21658	1.3
280.75375	0.7
281.17493	47.8
281.91760	0.8
282.17761	1.0
345.15695	1.1
452.29019	0.8
469.29263	2.4
487.30566	100.0
488.30725	3.6
543.36841	7.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	684.3804
Annotation	Unknow
Peak:m/z	Relative Intensity
51.69544	0.6
53.03952	1.4
55.01874	1.7
55.05513	16.8
57.03439	11.5
57.07078	1.2
59.05003	24.6
61.02916	3.5
65.03945	1.8
67.05507	96.1
69.03430	3.0
69.07076	3.9
71.01337	0.8
71.04989	7.0
73.02926	1.8
79.05499	7.7
81.03416	4.2
81.07060	17.1
83.04990	2.8
83.08625	11.4
85.02911	5.1
85.06553	2.5
87.04472	34.3
88.90308	0.6
91.03957	1.9
91.05472	7.0
93.07047	6.8
95.04976	2.4
95.08613	8.5
97.02889	3.6
97.06539	1.2
97.10170	8.6
99.04466	9.9
99.08092	1.0
101.05966	0.8
103.03915	0.7
105.07057	1.5
107.04992	1.3
107.08582	4.7
109.06524	1.0
109.10161	97.1
110.73901	0.6
111.04459	1.4
111.08074	4.1
115.03908	1.1
117.07019	1.3
119.08587	8.3
121.06506	1.4
121.10129	1.1
125.05970	0.6
125.09628	7.9
127.03941	1.4
131.92921	0.6
135.11671	1.2
137.09639	5.2
141.30113	0.6
143.10739	0.6
143.51830	0.7
145.10141	1.6
147.08102	0.7
153.12794	1.2
155.10681	9.6
163.11195	1.8
173.11743	27.5
181.12262	0.8
191.10699	1.8
199.13327	6.0
209.11691	1.5
223.13335	1.4
227.12787	4.6
229.14357	100.0
230.14691	1.0
241.14406	2.8
257.13791	5.0
267.15836	1.1
283.15369	2.6
315.18066	6.2
353.23062	2.6
371.24286	12.7
383.24286	78.0
384.24405	1.5
436.22992	0.7
437.25381	2.0
455.26199	1.7
469.27744	2.9
487.29114	4.1
684.31873	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	684.2498
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	0.6
55.05508	0.8
57.03428	0.6
61.02910	0.6
65.03941	3.5
67.05502	4.1
69.03425	1.4
69.07060	0.6
70.52654	1.8
71.04974	0.9
79.05499	1.2
81.03423	1.6
81.07071	1.8
85.02920	0.8
91.05495	1.9
93.03407	5.4
93.07035	1.5
95.04980	1.0
95.08616	1.0
97.02894	100.0
97.06563	0.7
98.03203	0.6
99.04490	0.6
102.04826	0.5
105.07028	1.5
106.66712	0.6
107.04980	1.2
107.08608	0.9
109.10152	3.0
109.81358	0.5
111.04445	1.1
117.06992	0.8
119.04967	0.5
119.08569	1.6
120.57938	0.6
121.02872	1.7
121.06502	1.1
121.10158	0.7
123.04493	1.2
125.02348	0.8
129.07048	0.8
130.04175	1.3
131.04944	1.1
133.06494	1.1
133.10121	0.9
135.04419	1.6
135.11697	0.6
137.06000	0.7
139.03909	1.7
145.10046	0.9
147.04396	3.0
147.11618	0.5
148.05122	0.8
149.02347	8.5
149.05980	0.6
150.06767	0.8
153.05453	1.6
154.06279	4.1
160.05193	1.1
161.05989	1.6
162.06779	5.7
163.03903	6.1
163.07549	1.2
163.11148	0.6
167.03410	46.2
168.07837	4.0
169.08559	3.7
173.11819	0.9
175.03902	2.2
175.07603	0.7
177.05502	1.8
178.06250	4.4
181.08492	0.7
187.07523	1.0
189.05475	1.3
190.06253	17.0
191.03383	5.9
191.06987	2.7
193.08606	11.1
195.06534	2.8
197.05870	0.6
199.07552	1.1
201.09123	1.3
202.09895	3.8
203.06902	0.6
206.05748	6.0
210.06778	0.8
212.08386	1.3
215.27713	0.6
217.08679	1.3
218.09372	1.3
221.08096	97.1
222.08408	1.0
228.07686	1.2
229.08504	0.6
229.14395	1.3
232.10857	0.7
233.08069	2.6
233.11703	5.5
240.07800	1.0
243.10201	6.2
256.07382	1.2
258.08899	2.0
261.11221	3.8
271.09641	4.9
289.10687	23.8
317.10172	9.4
335.11258	36.6
353.12308	5.5
684.32727	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	683.2909
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	1.4
55.05511	4.1
56.05850	1.7
56.95147	0.4
65.03943	4.5
67.05503	2.5
69.03429	1.6
69.07069	1.4
69.24612	2.7
69.25024	1.3
70.06594	1.1
79.05486	1.8
81.03398	0.8
81.07059	2.9
82.06591	0.6
83.04973	1.7
83.08617	3.2
84.08960	1.2
85.02905	1.0
85.06522	1.1
87.26733	0.5
88.95068	0.5
89.03917	3.3
91.05482	1.4
93.03406	6.2
93.07055	3.7
95.04968	1.2
95.08625	3.5
97.02892	100.0
97.06503	0.6
98.03232	1.1
98.09647	0.6
99.08076	1.4
100.07607	1.1
100.10596	0.9
100.11259	17.0
101.11588	6.3
102.11937	0.7
105.07029	2.2
105.92902	0.5
107.04940	1.9
107.08604	5.7
109.06487	1.4
109.10164	1.9
110.06070	0.5
111.04448	2.7
111.08051	0.8
112.07583	0.7
114.17508	0.4
115.05427	1.1
117.03378	5.9
117.13923	0.5
119.08593	1.1
121.02855	2.2
121.06521	1.8
121.10149	4.5
123.04418	1.3
123.08056	1.7
123.11689	0.5
125.02345	0.7
125.09611	2.0
127.11230	0.5
128.06213	1.1
128.07063	1.3
129.06995	7.3
130.07520	0.5
131.08586	1.0
133.10124	2.6
135.04413	11.4
135.08046	1.6
135.11693	1.1
137.02341	4.1
137.09601	1.1
139.03867	0.9
139.05437	1.1
139.08661	0.9
140.07068	0.5
141.06934	2.4
145.01753	1.0
145.02841	9.9
145.03972	0.9
147.04431	0.8
147.08057	0.9
147.11668	1.3
148.86197	0.5
149.02336	4.8
149.09630	9.4
149.13249	2.6
151.11168	2.7
153.09151	0.9
157.06506	6.0
160.05112	0.6
163.03906	87.7
163.11307	0.7
163.14771	3.5
164.04208	1.2
167.03407	23.8
167.04842	1.6
167.07080	0.6
169.06490	2.2
173.05971	2.4
173.13234	2.1
174.06755	1.1
175.03931	1.6
175.07541	14.3
177.05539	0.7
181.04947	0.9
182.15448	3.3
183.15749	3.1
184.16090	1.5
185.05988	11.0
187.07567	1.4
187.11212	0.5
191.14302	9.1
191.15872	0.8
200.04596	0.7
201.05544	2.2
202.42293	0.4
203.07024	8.5
203.08780	0.8
203.17924	0.4
207.06816	0.6
209.15256	18.0
210.15041	3.5
210.16585	3.3
211.15196	6.1
211.17133	1.7
212.15446	2.7
212.17392	0.9
213.05502	6.2
213.15796	1.1
221.19020	0.9
227.16478	1.4
227.19400	0.7
231.06534	16.2
241.04994	0.8
259.05969	5.6
277.07065	56.8
278.07397	1.5
279.07385	0.5
295.08176	11.3
325.08893	1.2
328.28711	0.8
501.57141	0.5
542.21527	1.0
605.16962	0.6
664.51007	3.6
665.51349	0.7
682.52045	29.4
683.52216	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	683.2909
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	1.4
55.04162	0.7
55.05506	3.0
56.05853	0.7
57.07061	0.6
60.64915	0.5
61.02942	0.6
65.03941	4.4
67.05505	2.2
69.03426	1.0
69.07053	0.9
69.46347	2.6
69.46758	1.1
70.06593	0.9
79.05503	1.5
81.07062	2.9
82.06597	0.9
83.04990	1.9
83.08624	2.6
84.08970	0.8
85.06551	1.2
89.03910	3.9
91.05470	1.7
93.03410	7.8
93.07043	2.5
95.04978	1.2
95.08594	3.1
97.02892	100.0
97.06554	0.6
98.03221	1.2
99.08083	2.3
100.11263	11.2
101.11602	4.8
105.07021	1.2
107.04954	2.0
107.08601	5.0
109.02863	0.6
109.06538	1.4
109.10135	2.2
110.06031	0.6
111.04451	2.5
111.08097	1.0
112.04829	0.6
115.05450	0.9
117.03396	4.9
117.06967	0.9
119.08587	0.9
121.02886	1.4
121.06506	2.5
121.10128	3.4
123.04449	1.3
123.08065	2.0
125.02354	0.6
125.09616	1.5
128.06223	1.2
129.06998	7.8
131.08559	2.1
133.10143	2.6
135.04422	10.7
135.08080	1.2
135.11743	1.4
137.02373	2.5
137.09616	1.0
139.05418	1.2
141.06989	2.5
145.02855	9.8
145.10072	0.9
147.04463	0.7
147.11687	1.9
149.02348	4.5
149.09616	8.2
149.13252	2.9
151.11197	2.4
153.09117	1.0
157.06503	6.7
163.03909	84.5
163.14861	3.8
164.04248	1.1
167.03415	24.2
167.04735	1.2
169.06474	1.6
173.05974	2.0
173.13280	2.9
174.06763	2.0
175.03896	1.6
175.07549	16.0
181.04919	0.9
182.15417	2.3
183.15741	2.2
185.04445	1.0
185.05994	10.8
187.07487	1.4
191.14313	10.0
195.04308	0.9
201.05487	1.9
203.07047	9.3
209.15334	18.4
210.14864	2.8
210.16881	2.5
211.15179	2.5
211.17027	0.9
212.15477	1.2
213.05501	8.1
226.19057	0.9
227.16379	1.5
231.06535	16.2
259.05994	7.0
277.07077	57.4
278.07291	0.7
295.08109	11.2
664.50897	2.2
682.40631	1.0
682.52032	18.6
683.26782	0.7
683.52362	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	681.3114
Annotation	Unknow
Peak:m/z	Relative Intensity
51.55991	0.4
51.86810	0.4
55.01861	0.4
55.05514	1.4
56.40966	0.4
65.03943	6.1
67.05504	3.8
69.03423	1.6
69.07065	1.9
71.04990	0.6
79.05492	0.7
81.07068	2.8
83.04989	2.0
83.08627	1.1
85.02899	0.7
85.06539	0.8
87.71570	0.4
88.69501	0.4
89.03917	3.0
91.05475	1.0
93.03406	7.3
93.07049	1.6
95.04963	0.8
95.08613	4.8
97.02893	97.6
98.03262	0.5
98.20720	0.9
99.08090	0.6
103.78008	0.4
105.07047	1.2
107.08587	4.0
109.06506	1.4
109.10158	17.6
110.03680	0.9
111.04449	1.1
111.08037	0.4
113.09634	0.7
115.05401	0.5
117.03382	13.4
119.08589	5.7
121.02893	3.1
121.10139	2.1
123.04441	0.5
123.08073	2.3
123.11715	1.7
125.02331	1.1
125.06005	1.4
125.09701	0.5
128.06233	1.4
129.07008	6.2
133.10123	3.2
134.03680	1.1
135.11694	16.7
137.06021	0.5
137.09601	3.5
139.03929	0.8
139.05426	0.7
139.11183	0.4
141.06955	2.1
145.02849	42.5
149.02348	9.2
149.05988	5.5
149.13223	1.0
151.03899	1.7
151.11177	1.6
151.14838	2.4
157.06509	7.2
163.03809	0.5
165.16438	0.7
167.03413	54.6
169.06528	2.6
171.08035	0.5
175.07574	0.4
175.14828	7.2
177.05470	100.0
178.05817	0.6
183.04416	0.5
184.05153	0.7
185.06018	2.4
186.05460	1.0
187.07512	1.0
188.08324	1.6
189.05510	1.3
189.09103	10.4
193.15883	10.9
194.35117	0.4
195.04424	0.9
195.06447	0.5
199.07542	6.6
200.04649	0.5
201.09070	0.8
207.06516	1.9
211.16934	25.4
213.05435	1.8
215.07005	1.6
217.08600	8.2
227.07047	8.0
245.08096	14.9
255.06451	0.5
273.07596	4.3
291.08621	40.5
309.09680	11.0
339.10690	1.1
358.46762	0.4
373.22003	0.5
377.62231	0.4
405.65851	0.5
453.96600	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	681.2772
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.6
55.05506	1.0
56.96583	1.1
58.35527	1.1
65.03925	1.4
67.05492	4.3
69.03416	1.6
69.07066	2.5
70.06564	1.8
72.08148	2.8
76.60302	1.0
77.46272	1.0
79.05498	3.7
81.03421	2.3
81.07064	1.4
85.02924	1.2
91.05471	10.3
93.07044	10.2
94.06564	3.9
95.04966	3.8
95.08615	2.0
95.75678	1.0
96.04505	1.2
97.02928	5.0
97.06520	2.0
105.04507	1.5
105.07065	1.2
106.06583	2.1
107.04946	1.2
107.08599	2.2
108.08145	2.8
109.06509	1.6
109.10126	1.3
110.06068	1.3
111.04449	2.1
111.08102	5.0
115.03149	1.0
117.03406	1.5
117.07021	1.3
119.04944	1.3
119.08611	2.2
120.04491	1.3
120.08124	1.6
121.06522	2.6
121.10143	1.2
122.02375	1.4
122.06020	4.1
123.04478	2.4
134.06029	2.5
134.09636	6.3
135.04359	2.2
135.08032	5.0
136.07591	8.4
136.17609	1.2
137.05954	4.2
138.05496	1.7
138.09140	4.0
139.03922	2.4
139.07576	1.3
140.03409	2.5
140.07077	3.3
144.08107	1.7
145.02856	1.4
145.06493	1.9
147.04456	1.5
148.03946	1.2
148.07628	1.2
149.09613	1.2
149.39349	1.1
152.07089	2.3
152.10728	5.2
154.04997	2.7
154.08690	2.1
160.07599	2.6
162.05519	2.9
162.07834	2.4
162.09148	38.0
162.10506	2.0
163.03883	8.1
163.07579	3.4
164.07030	1.1
166.04976	1.7
177.05511	1.4
180.06653	1.3
180.10187	33.8
181.10739	1.1
184.07578	1.2
190.05142	1.4
190.08667	6.4
191.14148	1.0
199.08694	1.8
201.10309	1.5
203.07193	1.0
208.09686	73.9
213.10231	3.1
214.11075	2.1
215.11813	4.2
225.06760	1.1
225.10216	2.1
227.08173	1.3
227.11868	2.1
229.09526	1.5
237.10138	1.5
239.11719	1.5
241.09727	3.1
243.11279	17.1
251.08167	1.1
253.09731	2.3
255.11230	1.7
257.12790	1.9
257.22717	1.2
259.10818	2.6
265.09723	2.6
267.11298	3.6
270.07697	1.9
273.12341	4.2
281.09177	1.8
283.10886	5.2
284.09085	2.0
285.12381	27.7
287.10486	1.4
293.09247	8.7
301.11807	4.9
302.12585	3.0
303.13412	23.2
306.12253	1.9
311.10114	8.3
312.08652	5.6
313.11728	1.5
315.13666	1.5
325.11652	1.7
329.11417	6.2
330.09641	6.7
332.13962	1.3
337.11850	1.3
341.11023	1.2
344.11246	4.2
347.12393	7.4
361.14117	8.9
372.13632	1.4
376.12885	3.6
378.14505	2.0
388.13000	3.2
404.12378	4.2
405.13141	1.5
406.13739	6.9
422.13309	3.2
424.14984	8.2
430.13919	2.2
432.15228	1.6
436.14850	2.0
456.16962	2.3
458.13388	1.8
472.15341	1.7
474.16791	2.4
490.16394	1.3
499.35419	1.1
585.22559	1.5
595.21625	4.9
595.31927	1.4
613.22705	12.2
614.20905	1.4
631.23981	100.0
632.23914	2.5
637.33234	1.2
645.25269	4.2
649.24567	3.4
663.26575	78.4
664.26251	2.4
680.51025	1.7
681.26074	6.6
681.50934	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	681.2747
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	0.8
55.05489	0.7
67.05482	0.8
69.07028	1.4
69.51498	2.6
70.06572	0.6
80.04985	0.4
84.08098	0.5
85.02876	0.5
87.01436	0.4
91.05421	0.6
94.06580	3.3
97.06487	1.0
107.08578	0.4
108.04467	0.7
110.06008	1.4
112.07579	0.7
117.03354	0.5
118.06493	0.4
121.02834	0.9
122.06038	9.7
123.04372	1.7
124.07581	0.9
135.04391	0.5
136.07605	0.7
140.07074	10.0
144.04425	1.4
145.02827	0.5
146.05013	0.4
146.06024	5.5
147.04362	0.4
150.05447	1.2
152.07114	1.9
153.01764	0.4
158.09592	0.9
160.07501	1.3
162.05518	0.8
163.03917	4.3
164.07030	0.6
165.05481	0.5
170.09639	0.6
172.02553	0.6
172.03946	10.1
172.07474	0.4
172.11047	0.4
173.04793	0.6
174.05539	4.2
174.09041	0.5
174.11424	0.5
175.08728	0.8
175.12286	0.6
176.07016	0.4
184.07616	0.5
186.09129	5.3
187.08669	1.1
188.07060	0.6
188.09315	1.0
188.10794	0.5
189.10199	0.7
191.03322	0.6
191.05774	0.6
196.07536	0.8
197.05959	0.4
198.09200	1.1
200.07149	0.7
200.10716	1.4
201.10233	1.0
202.09131	0.4
202.10989	2.5
203.08052	0.4
203.11789	5.9
204.06575	15.3
206.08133	5.6
212.06905	0.5
213.10236	1.4
214.06754	0.6
214.08665	9.9
215.08185	5.0
215.11774	0.5
217.09700	1.1
227.11777	1.2
228.10286	3.7
229.09764	3.3
230.10548	1.5
231.11266	5.5
237.14403	0.7
238.08566	0.5
241.09811	2.0
242.08194	2.1
243.11308	1.5
245.09193	2.9
245.12837	1.2
246.09898	0.5
246.14790	0.4
247.05887	0.9
247.10774	1.7
255.11276	5.2
256.09717	3.3
257.09152	0.9
257.12909	1.7
259.10791	75.9
260.11108	0.7
271.10742	2.6
273.12314	6.5
283.10809	2.3
284.09103	0.7
285.12363	0.7
287.10266	1.4
289.11835	0.9
299.10272	0.9
301.11841	62.6
302.12259	0.8
305.11325	0.5
313.11816	6.1
315.08585	0.5
317.11270	0.9
319.12897	100.0
320.13037	1.9
331.12918	1.0
333.14465	0.6
335.12476	1.9
336.13013	0.4
337.13956	26.9
345.14560	5.7
347.15735	0.4
357.18909	0.9
365.10699	0.7
389.13788	0.5
443.27753	0.4
446.17365	0.5
458.81067	0.4
475.00421	0.4
505.18689	2.2
508.17154	0.9
519.24194	4.7
523.19580	1.4
631.24127	0.5
645.25464	1.1
663.26605	8.4
681.29388	22.7
682.29956	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	681.2753
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03959	0.6
55.01875	1.1
55.05505	0.6
59.05003	0.8
65.03946	3.5
67.05502	2.5
69.03448	1.0
69.07064	1.7
70.06596	0.6
79.05486	1.3
81.03416	0.4
81.07028	0.6
83.04979	0.7
85.02902	0.8
89.03918	3.6
91.05466	1.5
93.03408	6.5
93.07063	1.1
95.04967	0.7
95.08575	0.4
97.02892	100.0
98.03244	0.5
101.06007	0.5
103.05377	0.4
105.07030	2.0
107.04955	1.0
107.08575	2.9
109.06544	0.9
109.10197	1.1
111.04426	1.3
111.94364	0.4
115.05483	0.7
117.03381	5.1
119.04921	0.7
119.08566	1.5
121.02864	1.5
121.06535	0.9
122.00956	0.5
122.03696	0.6
122.06033	0.6
123.08067	2.1
128.06219	1.3
129.07011	7.3
131.04955	0.7
135.04417	9.0
135.08081	0.7
135.11703	1.7
137.02382	2.4
137.09628	7.6
139.03915	1.4
139.05447	1.4
140.07059	3.1
141.06950	2.6
145.02843	10.0
147.04367	1.0
147.08025	0.9
147.11665	1.3
149.02368	3.8
149.06006	0.5
149.09592	0.6
151.03886	0.6
152.07037	0.5
157.06494	5.9
160.05246	0.5
161.06000	0.7
161.13190	0.5
163.03903	80.8
164.04254	1.3
167.03418	23.8
167.04855	1.7
167.07143	0.7
169.06470	1.8
173.05995	1.8
174.06764	1.3
175.03911	1.2
175.07538	14.8
177.05392	1.3
185.05972	11.4
187.07558	1.5
189.12766	1.0
192.94560	0.5
193.04964	0.4
195.04370	0.7
201.05496	2.0
202.10960	0.5
203.07019	7.1
203.11687	0.5
204.06700	0.5
207.06537	0.7
207.13795	2.1
208.09818	0.5
213.05464	6.8
214.08493	1.1
215.08359	0.6
220.10431	0.5
225.14772	1.3
228.10197	0.7
231.06517	14.5
241.04982	0.8
241.09882	0.6
249.07594	0.6
255.11244	1.2
256.09729	0.5
259.06146	4.5
259.10742	10.8
260.10947	0.5
273.12335	1.1
277.07074	55.0
283.10971	0.5
285.12460	0.6
295.08130	10.0
301.11829	8.5
303.13327	0.6
313.11942	0.6
314.44406	0.5
319.12860	12.8
325.09164	0.7
337.13864	3.3
345.14496	1.3
439.11926	0.7
663.26007	1.5
681.26685	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	681.2747
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	0.8
55.05489	0.7
67.05482	0.8
69.07028	1.4
69.51498	2.6
70.06572	0.6
80.04985	0.4
84.08098	0.5
85.02876	0.5
87.01436	0.4
91.05421	0.6
94.06580	3.3
97.06487	1.0
107.08578	0.4
108.04467	0.7
110.06008	1.4
112.07579	0.7
117.03354	0.5
118.06493	0.4
121.02834	0.9
122.06038	9.7
123.04372	1.7
124.07581	0.9
135.04391	0.5
136.07605	0.7
140.07074	10.0
144.04425	1.4
145.02827	0.5
146.05013	0.4
146.06024	5.5
147.04362	0.4
150.05447	1.2
152.07114	1.9
153.01764	0.4
158.09592	0.9
160.07501	1.3
162.05518	0.8
163.03917	4.3
164.07030	0.6
165.05481	0.5
170.09639	0.6
172.02553	0.6
172.03946	10.1
172.07474	0.4
172.11047	0.4
173.04793	0.6
174.05539	4.2
174.09041	0.5
174.11424	0.5
175.08728	0.8
175.12286	0.6
176.07016	0.4
184.07616	0.5
186.09129	5.3
187.08669	1.1
188.07060	0.6
188.09315	1.0
188.10794	0.5
189.10199	0.7
191.03322	0.6
191.05774	0.6
196.07536	0.8
197.05959	0.4
198.09200	1.1
200.07149	0.7
200.10716	1.4
201.10233	1.0
202.09131	0.4
202.10989	2.5
203.08052	0.4
203.11789	5.9
204.06575	15.3
206.08133	5.6
212.06905	0.5
213.10236	1.4
214.06754	0.6
214.08665	9.9
215.08185	5.0
215.11774	0.5
217.09700	1.1
227.11777	1.2
228.10286	3.7
229.09764	3.3
230.10548	1.5
231.11266	5.5
237.14403	0.7
238.08566	0.5
241.09811	2.0
242.08194	2.1
243.11308	1.5
245.09193	2.9
245.12837	1.2
246.09898	0.5
246.14790	0.4
247.05887	0.9
247.10774	1.7
255.11276	5.2
256.09717	3.3
257.09152	0.9
257.12909	1.7
259.10791	75.9
260.11108	0.7
271.10742	2.6
273.12314	6.5
283.10809	2.3
284.09103	0.7
285.12363	0.7
287.10266	1.4
289.11835	0.9
299.10272	0.9
301.11841	62.6
302.12259	0.8
305.11325	0.5
313.11816	6.1
315.08585	0.5
317.11270	0.9
319.12897	100.0
320.13037	1.9
331.12918	1.0
333.14465	0.6
335.12476	1.9
336.13013	0.4
337.13956	26.9
345.14560	5.7
347.15735	0.4
357.18909	0.9
365.10699	0.7
389.13788	0.5
443.27753	0.4
446.17365	0.5
458.81067	0.4
475.00421	0.4
505.18689	2.2
508.17154	0.9
519.24194	4.7
523.19580	1.4
631.24127	0.5
645.25464	1.1
663.26605	8.4
681.29388	22.7
682.29956	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	680.5098
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	6.1
55.01880	4.3
55.05513	21.8
57.03429	8.3
57.07061	3.3
60.24028	2.7
67.05173	5.5
67.05508	63.1
69.07069	19.5
69.81686	14.2
71.04963	4.2
71.08628	39.5
74.09702	7.5
79.05496	48.6
81.03416	5.7
81.07061	66.0
83.05001	6.3
83.08625	15.5
85.06563	4.0
91.05482	38.6
93.07049	71.7
95.04964	11.0
95.08604	41.8
97.06536	12.2
97.10162	4.5
99.08099	25.9
99.67383	3.4
105.07037	25.0
107.04937	9.0
107.08594	32.3
109.06509	5.7
109.10155	16.2
111.08049	6.3
113.09658	5.0
117.07030	7.9
119.08590	27.1
121.10159	25.6
123.08028	3.2
123.11754	4.4
131.08620	4.9
133.10138	15.4
135.11707	30.7
137.09598	4.4
139.11234	3.5
143.08586	3.2
145.10097	8.4
147.11649	7.1
149.13272	9.1
151.11198	24.0
157.10014	3.2
159.11720	4.8
161.13242	15.7
163.11217	12.3
163.14790	3.1
171.11699	3.4
179.14319	80.6
184.07335	4.6
185.13264	2.8
195.13799	4.3
200.89995	3.1
227.12663	4.2
235.17039	3.0
241.19460	4.4
251.16437	5.2
259.20560	5.0
261.22092	4.0
269.17590	17.0
277.21628	65.5
283.27182	3.4
293.21140	11.7
335.25882	5.5
351.25275	58.0
367.24695	4.3
489.81924	3.2
545.38391	100.0
627.46240	47.2
645.47144	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	678.4699
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	0.5
56.05021	0.7
57.07079	0.6
58.06375	0.2
58.06626	0.5
59.05033	0.2
60.08167	6.4
67.05505	1.9
69.07050	0.7
70.27305	0.2
71.05003	0.2
71.07378	3.0
71.08634	0.3
71.52689	0.4
72.08149	1.0
74.09718	0.3
74.92828	0.2
79.05515	0.9
81.03414	0.3
81.07049	1.4
83.04968	0.3
83.08613	0.4
86.09708	29.5
87.10030	0.2
91.05490	1.2
93.07008	1.0
95.04968	0.3
95.08617	1.1
97.06557	0.4
97.10146	0.2
98.98468	3.1
104.10746	2.1
105.07036	0.7
107.08588	0.8
108.52159	0.2
109.06518	0.3
109.10191	0.7
115.07565	0.3
119.08583	0.5
121.10139	0.5
125.00008	19.7
129.06976	0.2
131.08566	0.3
133.10088	0.4
135.11766	0.3
145.10185	0.3
147.11693	0.3
179.14246	0.4
184.07344	100.0
185.07687	0.3
209.86118	0.2
238.67764	0.2
273.18555	0.3
293.21277	0.6
335.25772	0.5
365.23434	0.4
495.30365	0.2
504.38455	0.2
506.39185	0.3
520.17365	0.2
524.37390	0.2
529.39063	0.4
643.45856	0.5
667.58649	0.2
678.47015	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	679.2964
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	0.6
61.02916	0.5
63.02386	0.5
63.54058	0.5
65.03943	6.8
67.05512	2.8
67.11741	0.5
69.03423	2.9
69.07061	0.9
69.33886	3.2
69.34299	0.9
70.91103	0.6
79.05492	1.5
81.03408	0.7
81.07073	1.9
83.04996	0.8
85.02909	1.0
89.03910	3.5
91.05498	2.4
93.03410	8.3
93.07049	1.2
95.04973	1.4
96.42085	0.7
97.02898	100.0
97.06560	0.9
98.03185	0.6
98.21580	1.1
103.05481	0.7
105.07050	1.4
107.04886	0.6
107.08614	3.8
109.06527	1.4
109.10161	2.0
111.04439	1.2
111.08057	0.5
115.05396	0.8
115.23811	0.5
117.03387	13.9
117.06971	0.9
119.08609	1.1
121.02877	3.7
121.06559	0.6
121.10120	2.6
123.04435	2.8
124.05242	0.8
125.02338	1.2
125.05995	2.2
128.06226	1.6
129.07022	6.9
131.08527	0.8
133.10143	20.7
134.03656	1.0
135.04410	1.5
135.08086	2.5
137.05981	1.0
137.09622	12.0
139.03929	1.2
139.05496	0.6
141.07014	1.0
145.02853	45.0
145.10147	0.8
147.04424	1.3
147.11713	0.6
149.02350	8.5
149.05981	4.8
149.09669	0.8
149.13254	1.6
151.03883	2.6
151.05016	0.5
157.06500	5.6
157.10074	1.0
161.05922	0.7
163.03932	2.2
167.03416	50.6
169.06500	2.0
173.13321	0.7
174.06810	1.0
175.07613	0.7
177.05481	96.1
178.05820	0.9
184.07433	0.8
185.06001	2.5
186.05484	0.8
187.07578	0.9
188.08340	1.6
189.05460	1.9
189.09125	8.8
191.14313	9.8
193.12306	0.6
197.06013	0.7
199.07541	6.9
200.04672	0.7
201.09175	0.8
203.06979	0.6
207.06564	2.2
209.15395	5.7
212.04726	0.7
213.05489	1.1
215.07063	1.6
217.08630	7.3
227.07034	8.4
245.08104	13.7
255.06592	0.7
257.04416	1.6
259.09769	0.8
263.08841	0.7
269.04382	1.2
273.07578	4.8
287.16342	1.1
291.08636	39.6
309.09723	9.4
327.04910	1.9
339.10626	0.6
347.18243	0.6
419.81094	0.5
679.32294	0.9
679.38177	0.9
679.50323	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.3744
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14580	1.5
51.39576	1.5
53.03944	3.4
55.05318	1.4
55.05519	15.2
57.03428	7.3
57.07069	3.3
57.14879	1.4
59.05011	2.0
59.93406	1.6
61.02926	21.5
65.03927	3.8
67.05506	72.3
69.03426	4.3
69.07063	16.1
69.90440	4.4
69.90854	4.3
71.04982	4.2
73.02916	8.3
79.05494	40.5
81.03428	2.5
81.07057	90.8
83.04967	3.9
83.08596	7.9
85.02906	19.3
85.06561	3.0
91.03962	15.5
91.05476	21.2
91.92611	2.1
93.06479	3.3
93.07046	55.5
93.07635	2.7
95.04967	3.6
95.08608	67.4
97.02893	10.5
97.06512	5.0
97.10197	2.3
98.20783	1.6
99.04414	2.2
105.04528	1.7
105.07024	17.5
107.08591	38.4
109.06547	1.9
109.09470	3.0
109.10156	38.0
111.08081	2.6
111.11704	1.9
113.09677	1.7
117.07001	12.8
119.08582	20.5
121.10149	36.6
123.08069	2.1
123.11705	18.7
125.09629	2.1
127.03924	6.0
131.08585	19.5
133.10143	16.4
135.11690	27.4
137.13249	6.5
139.11105	2.5
145.04944	7.3
145.10144	15.5
147.11685	12.8
149.13261	23.9
151.11113	2.7
151.14822	2.6
153.12666	2.4
159.11685	13.8
161.13319	12.9
163.03862	2.3
163.06061	10.1
163.11171	1.8
163.14827	14.7
165.12750	3.1
173.13286	17.3
175.14862	4.5
177.16422	6.0
179.14325	3.2
184.07297	1.8
187.14864	10.0
191.14333	3.3
201.16406	3.0
205.16013	2.4
219.17514	1.8
233.22659	3.6
243.18811	2.8
243.21082	34.4
244.21307	2.4
261.22131	100.0
279.23270	4.3
335.22107	2.2
335.25809	33.9
353.26898	45.3
424.48474	1.8
497.31204	9.9
546.37805	1.7
677.35132	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	676.4545
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	0.5
56.05007	0.8
57.07050	0.5
58.06602	0.5
60.08167	6.5
65.26709	0.3
67.05466	1.0
69.07039	0.7
71.07375	3.2
72.08135	0.4
74.09700	1.3
79.05482	0.5
81.03401	0.4
81.07058	0.7
83.08618	0.6
86.09709	29.3
91.05455	0.6
93.07034	0.4
95.08586	0.6
97.10153	0.3
98.98466	2.9
104.10758	2.8
107.08576	0.6
125.00009	19.9
133.10197	0.4
163.11246	0.5
184.07347	100.0
185.07732	0.4
193.22220	0.3
229.99356	0.4
341.79791	0.3
504.37695	1.0
676.45605	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	676.3384
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.7
55.01869	1.0
55.05505	3.1
57.03436	3.3
60.52145	0.4
61.02930	4.3
65.03926	0.5
67.05502	4.9
69.03433	2.1
69.07050	1.4
70.06577	1.5
70.36266	0.9
70.59177	0.4
71.04991	1.0
73.02908	2.2
79.05494	5.4
81.03417	55.2
81.07056	5.7
83.04985	2.6
83.08620	16.1
84.04521	0.5
85.02908	6.6
87.04459	0.5
91.03945	5.2
91.05482	8.4
93.07055	4.4
95.04969	18.7
95.08598	1.8
97.02899	6.9
97.06509	1.0
97.10196	1.2
99.04411	0.4
103.03987	0.5
105.07027	5.4
107.04966	4.1
107.08564	2.8
109.02867	1.1
109.06527	1.6
109.10149	0.7
110.07199	0.5
111.04439	2.3
111.07371	0.6
111.08079	7.0
115.03926	0.5
117.07035	0.6
119.04896	1.1
119.08586	5.9
120.08076	0.7
121.06501	1.9
121.10159	2.9
123.04432	6.6
123.08064	1.2
124.04784	0.8
125.09631	0.8
127.03921	7.0
128.04245	1.2
128.06293	0.5
129.07010	4.5
130.04976	0.7
131.04845	0.6
131.08585	4.9
133.06491	2.2
133.10107	2.5
135.04417	4.1
135.08052	0.7
136.04739	0.8
137.05978	0.9
137.09602	1.1
139.03899	7.0
139.54684	0.4
140.04239	1.4
140.07054	0.7
141.06918	0.5
142.07771	1.6
143.08560	0.5
144.72424	0.6
145.02829	0.5
145.04956	2.8
145.06477	0.6
145.10098	0.8
147.04440	1.6
147.08028	1.8
147.11702	4.1
149.05977	0.6
149.09615	4.1
150.94597	0.4
151.03912	2.9
152.04211	0.5
157.06461	0.6
157.10138	7.5
161.05997	0.9
161.09651	0.5
163.03926	6.5
163.06009	5.9
163.11172	1.3
164.04227	1.5
165.05469	0.6
165.12735	1.2
171.11688	0.5
173.06018	0.6
175.03842	0.6
175.07715	0.5
175.11176	9.9
177.05441	1.4
179.03416	0.5
181.04860	0.6
187.07513	0.6
189.05513	1.0
189.09120	0.7
189.12720	1.0
191.03432	1.2
193.04910	0.6
193.12244	47.2
195.08778	1.0
197.50484	0.5
201.05367	0.5
201.09180	0.8
203.03358	0.6
207.13727	0.8
211.13315	3.2
213.05478	0.4
215.06967	0.9
219.10194	1.1
235.13205	2.7
247.06010	1.3
248.06415	0.7
249.14897	0.7
257.04480	0.5
259.05954	0.7
259.09863	0.5
259.13287	1.4
267.15915	32.9
268.16183	0.7
271.06018	0.8
272.06204	0.5
273.14810	1.1
275.05533	1.0
281.20416	0.5
283.05905	0.6
285.16965	100.0
286.17377	0.9
287.05566	1.1
288.05798	0.8
289.07126	0.7
290.07312	0.9
301.07062	1.2
301.14386	1.7
302.07336	0.7
305.77362	0.5
309.16968	18.1
319.15424	0.9
322.74109	0.4
325.11227	0.4
327.17957	2.0
351.17859	2.5
363.18030	5.2
373.13803	0.6
375.18011	3.8
393.19110	4.0
409.08835	0.7
410.09729	0.6
411.20169	3.7
428.10434	0.8
429.21204	11.8
461.23746	0.7
538.53235	0.5
591.26105	1.8
676.24414	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.266
Annotation	Unknow
Peak:m/z	Relative Intensity
52.49716	0.3
53.90945	0.3
55.05498	0.7
61.44260	0.3
67.05503	0.8
69.03447	0.3
69.07059	0.6
70.64024	0.6
70.64359	0.5
79.05487	0.8
81.03419	0.7
81.07070	0.8
90.09653	0.4
90.11870	0.3
91.05489	0.6
93.07028	0.6
95.04994	0.5
95.08627	0.7
97.02917	0.5
97.06493	0.3
101.02384	0.4
105.07059	0.4
107.04939	0.4
109.10175	0.4
119.08629	0.4
133.10124	0.3
165.62230	0.3
169.77127	0.3
184.07286	0.4
267.09143	0.4
267.15973	0.4
344.42542	0.3
356.71484	0.4
368.16278	0.4
413.16373	0.4
443.17886	0.4
444.17975	0.4
445.19077	0.6
453.15570	0.5
454.17023	0.6
455.13013	0.7
457.14938	0.5
460.27710	0.4
467.13406	0.7
467.18091	0.3
468.13373	1.8
469.14789	7.4
470.15579	1.8
471.16852	1.0
472.17233	0.5
478.28943	0.4
480.13556	0.5
481.14615	2.6
482.15866	10.1
483.16599	9.7
484.17401	1.7
485.18188	1.2
487.16190	0.5
495.16702	2.8
496.17538	6.5
497.18246	38.1
498.19052	3.7
499.19873	0.8
509.13580	0.4
510.19012	2.0
511.19983	4.8
512.20868	1.5
513.18115	0.4
515.19342	1.1
523.16553	0.4
527.15717	0.5
528.16418	1.6
529.17004	0.4
538.20367	0.7
541.17450	1.3
542.17749	2.4
555.18671	3.3
556.19739	3.4
557.20050	2.8
569.20691	1.1
570.20251	0.3
571.22070	0.4
573.22235	0.6
616.21527	1.3
617.22699	0.4
629.22266	0.6
630.23285	0.7
643.24078	6.5
644.24744	7.2
645.23822	1.2
657.25555	6.2
660.24591	1.4
675.26624	100.0
676.26843	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	675.2665
Annotation	Unknow
Peak:m/z	Relative Intensity
50.79248	0.3
51.43026	0.3
51.90851	0.2
55.05505	0.4
56.20924	0.3
56.66479	0.3
57.03435	0.3
58.88669	0.3
67.05496	1.1
69.07065	0.4
70.03812	0.3
71.52660	0.3
79.05483	0.4
81.03411	0.6
81.07052	0.5
83.08641	0.4
85.02921	0.3
91.05492	0.6
91.68825	0.2
93.07069	0.5
95.05057	0.3
95.08609	0.4
97.02926	0.4
97.06561	0.3
98.20786	0.3
105.07040	0.5
107.04984	0.3
109.10166	0.5
117.07037	0.3
119.08604	0.4
120.32449	0.3
120.54779	0.3
155.03912	0.3
229.07430	0.6
267.09213	0.3
269.17569	0.3
271.04340	0.3
304.97345	0.3
378.17813	0.3
413.16373	0.9
419.20685	0.3
428.19049	0.5
429.15781	1.1
430.16351	0.6
439.13733	0.4
440.19128	0.4
441.19470	1.2
442.16461	0.5
443.17188	1.0
444.17969	1.5
445.18774	2.4
453.15430	0.5
455.13052	0.4
456.13763	0.6
456.18842	0.5
457.14990	1.2
457.19983	0.7
458.19550	0.4
467.17386	1.3
468.14371	1.0
468.18402	0.3
469.14276	2.6
470.15421	1.4
471.16574	4.2
472.17944	1.5
473.18011	0.5
480.14215	1.6
481.05710	0.7
481.15070	2.7
482.15591	2.1
483.16656	3.8
484.17654	0.6
485.18472	3.9
486.18979	0.5
495.16660	8.8
496.17413	4.9
497.18344	9.2
498.19263	1.4
499.19421	0.9
500.17044	0.7
502.19025	0.4
510.18954	0.6
511.19965	1.0
512.20496	0.4
513.17444	1.7
514.18439	0.4
515.19586	0.5
516.94379	0.4
523.16199	0.5
525.18176	0.4
527.19366	0.7
529.21021	1.0
531.19434	0.4
536.18958	0.4
541.17877	0.5
542.18079	0.6
545.23688	0.4
555.18726	10.5
556.19690	0.9
557.20630	1.0
569.19897	0.5
573.23956	3.0
583.21790	0.9
585.23004	0.8
596.21735	0.5
601.22772	0.4
616.22156	0.4
617.22473	2.8
627.21130	0.6
632.25024	0.4
643.24139	4.4
644.25342	1.4
645.21802	2.9
657.25598	0.8
660.13983	0.2
660.24347	5.4
675.26642	100.0
676.26855	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	675.2076
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	3.5
55.05501	1.1
57.03436	1.5
58.99289	0.8
65.03930	2.7
67.01874	1.0
67.05498	3.5
68.99787	7.8
70.90695	1.0
71.53045	2.0
72.14297	1.0
77.03935	1.2
79.05494	2.8
81.03410	2.6
81.07032	1.8
83.04963	2.4
85.02895	1.3
91.05474	4.1
92.99211	1.0
93.03381	2.2
95.04951	3.6
97.02897	3.4
97.06536	3.9
103.05479	2.6
104.27318	1.0
105.03399	1.3
105.07016	3.8
107.04936	4.4
109.02882	2.5
111.00787	5.2
111.04458	7.0
113.03468	1.2
115.05444	3.7
117.07011	3.7
119.04955	3.9
119.08602	1.1
121.02886	3.5
123.04433	54.7
124.04765	1.1
125.02374	1.0
127.03921	44.3
128.06209	3.3
129.06984	5.7
131.04916	5.8
131.08585	1.9
133.06517	5.2
135.04419	20.9
137.02350	2.1
137.05963	5.1
139.03902	100.0
141.06987	2.3
143.04901	1.7
143.08530	5.0
144.05711	1.2
145.02850	1.9
145.06525	5.5
145.10114	3.2
147.04390	11.7
147.08031	1.5
149.02367	3.4
149.05968	8.5
151.03903	23.3
151.07510	1.0
152.06125	1.5
153.01833	9.8
153.05470	3.8
153.06873	1.9
155.03400	5.2
155.08545	2.7
157.06503	4.3
157.10202	1.7
159.04388	2.8
159.08070	3.1
160.05171	11.3
161.06000	28.4
161.09602	1.5
162.03162	1.3
163.03906	40.6
163.07539	2.2
164.04341	1.2
165.01855	3.9
165.05486	9.3
165.06873	2.4
167.03423	15.7
167.07123	1.5
167.08586	3.9
169.05128	1.1
169.06450	1.3
171.08061	3.9
173.05966	5.8
173.09608	4.3
174.06694	1.7
175.03918	9.6
175.07561	12.8
176.04703	2.4
177.05504	10.2
177.09143	3.6
179.03397	12.3
179.07123	1.3
181.04944	5.1
181.06383	2.2
183.04305	1.4
183.08031	2.7
184.05220	1.8
185.05939	3.0
185.09686	3.3
186.06796	1.9
187.03835	4.9
187.07507	5.0
189.05536	7.0
189.09103	27.9
191.03386	20.7
191.06998	2.6
191.10652	4.9
193.05003	7.4
195.07988	4.7
197.05986	3.4
198.06734	1.7
199.07559	4.5
200.04657	1.8
201.05460	8.5
201.09100	17.9
203.03419	14.6
203.07022	3.8
203.10666	4.2
205.04962	5.0
205.08598	6.8
207.06522	2.2
209.09557	1.5
211.07632	2.3
212.04726	2.9
213.05434	3.9
213.09100	10.2
215.03426	3.8
215.07071	4.1
217.05049	2.6
217.08606	17.8
219.06471	1.0
219.10143	18.9
223.07391	2.0
225.05470	1.8
225.09047	1.2
227.10658	2.2
229.04950	12.0
229.08624	3.4
231.06476	2.1
231.10214	4.5
233.04477	11.4
237.05455	1.4
237.09145	1.9
239.06879	1.1
241.04871	1.7
241.08594	13.6
243.06543	2.3
245.04462	7.5
247.06000	13.7
251.05553	3.3
251.10713	1.8
253.04881	1.3
253.08533	1.1
255.06500	2.4
255.10178	2.4
257.04431	23.7
257.07254	1.7
257.08228	1.1
258.05170	2.0
259.06003	5.5
259.09601	4.7
262.05945	1.1
263.07162	1.2
263.10739	1.5
264.07831	1.2
265.08652	2.4
269.04401	3.3
270.05414	1.4
271.06024	16.0
272.06689	1.4
273.07703	2.3
275.05518	21.1
275.10327	1.0
279.06516	1.9
282.05191	1.3
283.05975	9.3
283.09436	2.0
285.07605	2.9
287.05484	26.3
289.03577	1.3
289.07001	11.0
291.08533	9.2
295.06052	6.0
297.07510	1.5
299.05545	8.3
301.07040	15.5
303.08771	3.5
308.06635	1.5
309.11224	1.1
311.05634	2.2
311.09064	1.1
317.06686	1.2
321.07443	1.1
321.11194	1.3
323.09100	2.8
325.06952	1.8
325.10690	13.3
333.11163	1.7
335.08945	1.6
337.10507	2.1
339.12231	3.6
341.10187	1.5
343.11868	11.6
349.10825	7.1
351.12201	3.7
355.11670	3.2
361.10782	4.6
361.16122	1.0
367.11816	21.5
367.16165	0.8
369.13489	1.4
371.12231	1.3
379.07568	1.1
379.11841	13.5
385.12723	6.5
397.12842	18.5
409.09183	25.9
421.09171	1.4
427.10275	12.2
433.09229	1.7
469.97269	1.2
487.13779	4.5
505.14746	7.9
507.15988	1.7
517.30603	1.0
523.15924	2.4
531.16736	2.2
562.19421	1.2
595.78302	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.2072
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02372	0.9
52.99533	0.8
53.03940	2.1
55.01874	4.4
55.05505	1.8
57.03434	2.4
58.16972	0.7
59.04995	3.8
65.03934	2.0
67.05503	7.7
68.99793	6.8
69.03422	2.7
69.06685	0.9
69.07069	17.3
70.06596	1.0
70.85258	2.0
70.85601	0.8
77.03936	1.3
77.28635	0.8
78.75470	0.7
79.05492	13.6
81.03410	6.3
81.07060	3.0
83.04972	3.6
83.08611	0.9
85.02898	2.8
91.03996	0.9
91.05467	3.6
93.03397	1.6
93.07053	2.6
95.04964	4.5
95.08591	1.7
97.02917	4.6
97.06534	100.0
99.04438	2.0
99.74940	0.9
101.02456	0.8
103.05446	1.0
105.07043	2.9
107.04973	5.1
107.08575	1.8
109.02876	4.6
109.10157	2.1
111.00819	2.6
111.04451	3.8
115.05589	0.8
117.06997	2.3
117.09131	0.9
119.04945	2.1
119.08569	2.5
121.02866	2.1
121.06493	1.2
121.52654	0.8
123.04434	63.9
127.03919	97.6
129.07022	1.3
131.04939	3.4
131.08585	1.4
133.06558	1.1
135.03398	1.7
135.04424	33.5
135.11656	1.1
137.02325	3.8
137.05981	2.9
139.03908	79.3
142.07785	1.0
143.04858	1.1
143.08554	1.2
144.05672	1.0
145.02832	1.1
145.06477	1.1
145.10086	1.4
147.04428	7.8
147.07973	0.9
147.11737	1.2
149.02347	4.2
149.05968	2.7
151.03899	12.0
153.05482	1.4
153.06975	1.1
157.06543	1.2
157.10197	0.9
159.04427	5.1
161.05965	5.1
163.03915	50.7
164.04558	0.9
165.05486	6.5
167.03404	10.1
169.06506	2.1
171.04376	0.9
171.08012	1.2
173.05974	3.4
175.03889	5.9
175.07558	3.4
177.05429	5.6
179.03470	4.0
181.04977	1.0
183.04364	1.3
184.07440	1.1
185.05992	1.6
187.03915	7.8
187.07526	1.8
189.05482	4.7
189.09079	1.5
191.03403	18.5
191.07039	2.4
193.04987	3.7
197.06004	3.9
201.05489	9.1
201.09113	16.5
203.03418	9.0
203.07100	3.2
205.04951	4.0
207.04736	0.9
207.06522	3.0
213.05453	2.5
215.03487	2.9
215.07056	3.3
217.05032	2.7
217.08557	1.8
219.10176	31.2
225.05437	1.1
229.04999	11.0
231.06596	1.0
231.10143	1.5
233.04451	10.6
241.05000	2.2
241.08612	2.3
243.06526	6.1
243.10233	1.7
245.04482	8.3
247.06046	18.3
251.05583	2.2
253.05023	1.8
255.06549	2.4
257.04474	19.5
258.05283	1.6
259.06046	8.5
259.09683	24.4
267.15750	1.3
269.04517	3.3
271.06024	18.4
272.06433	0.9
273.07697	1.2
275.05493	26.9
283.06046	7.7
285.03833	1.9
287.05505	21.6
289.07108	14.8
289.37756	0.9
291.08615	11.3
297.12146	1.4
299.05511	4.8
299.08823	1.5
301.07053	15.8
301.11972	1.1
303.04947	1.8
303.08411	2.0
305.09167	1.0
313.11774	0.9
325.10782	1.1
343.11685	7.9
355.11780	4.9
367.11758	7.5
369.13388	29.5
379.11969	1.6
381.13348	1.9
383.12201	1.2
385.12747	3.5
387.14304	7.0
397.12717	6.8
409.09207	21.6
413.17719	1.9
425.55383	0.8
426.09402	1.0
427.10226	11.8
459.16235	0.9
459.27771	1.0
463.13831	2.6
487.13858	4.0
489.15817	1.1
499.14487	0.9
505.14886	12.9
507.16510	5.5
517.14783	1.3
523.15753	2.8
531.16431	1.6
639.32800	1.0
640.73517	0.9
675.20251	0.9
675.31293	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	674.2229
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	1.6
65.03955	1.0
67.05511	1.6
67.57870	1.0
68.05016	1.1
68.99783	8.1
69.03414	1.7
70.06595	48.2
71.18819	2.0
77.03926	1.0
79.05484	7.5
81.05809	1.1
81.07066	8.1
89.03912	2.9
91.05479	1.7
95.04980	2.0
96.08134	18.4
98.97575	1.0
99.73903	0.9
103.05495	0.8
105.03395	2.8
107.04959	20.6
111.00812	25.9
111.04446	1.4
112.78438	0.9
115.05473	1.2
117.03394	2.2
117.07002	2.2
119.04964	2.0
121.02900	1.4
123.04436	30.8
125.87384	0.8
126.78555	0.8
127.03927	1.5
128.06244	1.0
129.07018	3.7
131.04948	1.5
135.04417	82.6
137.02345	1.9
137.05978	2.0
139.03906	30.9
145.06447	1.3
145.73250	0.9
147.04387	4.3
149.05960	4.9
151.03931	7.0
157.06499	3.4
159.04359	1.6
159.08058	1.9
161.05956	2.9
163.03911	100.0
164.04312	1.4
165.05508	8.1
167.03450	2.4
173.06000	2.5
175.03940	6.0
177.05482	3.2
179.03377	2.6
185.05948	4.3
187.03867	3.2
189.05472	8.0
190.06277	7.0
191.03409	2.8
191.07037	66.9
193.04915	1.4
195.08891	4.2
196.09053	1.7
197.06046	1.3
201.05510	3.7
203.03380	5.3
203.07004	8.6
209.05989	0.9
213.05453	4.7
215.03467	1.5
215.07066	2.4
217.04938	1.2
227.07016	2.2
229.04950	3.0
231.06512	9.9
234.11279	1.2
239.06854	1.2
241.04945	1.6
243.06523	1.6
245.04492	3.0
250.06277	1.0
255.06526	3.1
259.06036	4.0
265.08664	1.4
267.06555	2.4
269.04449	1.6
269.07968	1.4
271.06046	3.2
273.07495	1.1
279.06537	1.7
281.08176	1.3
283.05966	6.7
285.07559	3.7
287.05594	2.7
291.08841	1.3
293.08063	2.1
295.06055	2.1
297.07553	8.7
299.05582	1.8
301.07077	7.9
307.09622	1.7
311.09131	14.7
313.07062	2.0
321.07599	6.4
323.09137	2.4
325.07123	2.0
325.10904	1.3
327.08615	2.1
335.09152	3.5
339.08621	6.8
344.69110	1.0
351.08594	5.1
353.10205	38.4
353.14569	2.2
354.10110	1.1
384.14468	1.7
386.16061	1.0
411.10574	3.2
421.08902	1.5
439.10175	3.2
447.10556	2.0
453.11740	1.3
465.11694	2.3
473.12231	6.6
491.13385	9.9
492.13507	1.0
591.14679	3.8
617.16248	2.1
643.18121	51.6
674.22302	26.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	674.5046
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05492	3.0
57.07078	62.0
59.05005	15.7
67.05489	4.0
69.07050	3.8
71.04976	1.3
71.08633	57.4
73.06540	3.5
79.05475	2.9
80.69879	0.8
81.03381	1.1
81.07048	3.3
83.08617	3.1
85.10185	53.3
86.09701	1.9
87.04478	16.8
89.06033	100.0
91.05473	3.3
93.07061	1.4
95.08595	2.2
98.20721	2.2
99.11723	4.8
103.07581	7.3
104.59862	0.9
105.07026	2.2
107.07055	1.8
107.08575	2.0
109.10153	2.0
117.07013	1.5
117.09150	4.2
119.08571	1.5
125.00109	1.1
130.08614	3.3
131.07071	5.7
133.08606	77.4
141.16399	5.2
175.09644	5.9
177.11227	31.2
177.12453	0.6
184.07368	4.4
184.30377	0.8
185.07701	1.6
199.20633	7.7
219.12270	3.1
221.13876	8.9
223.15392	1.1
229.26656	1.2
237.13629	0.9
239.14836	1.9
240.23370	0.9
243.23196	5.8
263.14932	1.0
265.16522	1.4
267.18234	1.2
283.17545	2.1
309.18863	1.0
327.20313	1.3
358.48184	1.0
371.22668	2.3
415.25171	1.7
441.26831	1.4
447.94608	1.0
450.67352	0.9
459.28036	14.0
499.30884	2.2
657.47357	2.8
674.51422	6.0
694.66260	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	673.3407
Annotation	(-)-Flexicorine
Peak:m/z	Relative Intensity
53.03945	0.7
55.01874	0.9
55.05528	1.5
57.03436	2.0
59.05002	0.9
61.02935	4.0
65.03942	0.3
65.22747	0.3
66.37277	0.4
67.05508	7.2
69.03436	2.8
69.07071	1.1
69.21861	2.6
71.05000	1.1
73.02918	2.8
79.05488	2.5
81.03429	3.8
81.07065	3.3
83.05010	0.9
83.08651	1.7
85.02918	3.6
85.06556	0.6
87.04473	0.9
91.03965	2.8
91.05485	2.6
93.07066	2.3
93.27013	0.3
95.04983	1.6
95.08613	1.1
97.02898	4.1
97.06549	2.1
98.20798	0.7
99.04479	1.0
99.97137	0.4
101.02405	1.3
103.03973	0.5
105.07066	1.0
107.04977	0.6
107.08610	1.5
109.02896	1.0
109.10166	6.4
109.10838	0.5
110.07252	0.3
110.53939	0.3
111.04424	0.7
111.08116	0.5
113.06018	0.4
115.03951	0.3
119.08553	2.3
121.06568	0.4
121.10188	1.4
122.22549	0.3
123.04434	2.2
125.09682	0.5
127.03928	1.7
129.07010	0.5
131.08585	0.9
133.10153	1.0
135.11684	0.5
137.02386	0.7
137.09662	0.5
139.03882	0.6
145.05009	0.6
147.11714	1.1
149.09645	1.2
151.03938	1.3
152.04625	0.3
155.10680	1.1
157.10205	0.8
163.03938	1.1
163.11241	0.3
173.11772	1.7
173.13016	0.3
173.39365	0.3
175.11208	0.7
181.04970	0.8
193.12250	1.4
195.09999	1.0
203.05362	0.4
211.13231	0.7
217.04964	0.4
219.10187	1.0
225.14932	0.7
229.14362	1.8
243.08444	2.1
245.04497	1.5
267.15994	1.3
283.15262	3.7
287.05530	5.4
339.17902	1.1
371.80249	0.3
413.17865	11.3
421.25992	0.6
425.08524	1.9
469.20007	0.4
483.21674	0.3
501.23132	11.5
511.29340	0.9
673.34088	100.0
674.34552	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	671.4219
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	3.5
55.01871	2.9
55.05512	18.0
57.03422	4.8
57.07077	12.2
57.08331	1.5
61.02925	3.3
65.03922	2.8
67.05511	28.8
69.03439	8.7
69.07072	54.3
69.15065	12.4
70.06580	3.7
71.08628	4.9
72.08156	2.2
73.02899	1.7
79.05495	15.5
81.03421	7.8
81.07060	100.0
83.04970	2.6
83.08620	33.8
83.09111	2.2
84.08112	1.9
85.02438	2.6
85.02909	34.0
85.06554	9.3
85.10165	2.0
86.09700	1.9
91.05501	8.4
93.07045	23.4
95.04965	4.6
95.08610	93.6
97.02902	19.4
97.06529	6.6
97.10163	23.6
99.04478	1.7
99.08124	8.5
102.76750	1.6
103.03952	1.7
105.03406	16.7
105.07021	7.0
107.04943	2.7
107.08602	24.7
109.02876	5.9
109.06503	2.2
109.10163	62.9
111.04457	2.1
111.08080	5.4
111.11719	25.7
113.09663	2.3
117.03413	1.8
117.06975	3.3
119.04930	2.5
119.08566	5.0
121.06464	2.3
121.10149	14.9
123.04399	3.5
123.08104	1.6
123.10835	3.1
123.11716	43.5
125.09657	3.6
125.13262	19.3
127.03915	10.2
127.11216	2.9
129.07065	2.1
131.08507	3.0
131.35698	1.7
133.06415	1.6
133.10136	2.9
135.04404	3.2
135.07979	1.8
135.11710	12.2
137.06013	2.1
137.09677	2.1
137.13260	35.3
139.03990	3.4
139.11221	3.0
139.14816	4.2
141.12724	2.2
141.26183	1.3
143.08492	2.0
145.02895	4.7
145.04971	14.2
145.10089	4.5
147.04411	2.6
149.05937	1.4
149.13268	37.3
151.14821	15.0
153.12735	2.8
155.14337	11.4
157.15872	1.6
159.11649	1.8
161.05960	1.6
162.86565	1.5
163.03937	18.4
163.06021	6.3
163.07426	2.4
163.14841	11.0
164.04291	2.6
165.09113	14.5
165.16397	12.2
167.14326	26.9
169.15863	6.1
175.04042	1.4
175.07480	2.9
175.14748	2.1
177.05429	4.0
177.16379	4.9
179.18037	8.3
181.04890	1.7
181.08743	1.6
191.17926	2.9
193.15845	2.5
193.19478	3.7
205.12451	1.8
205.19498	4.1
207.06572	5.6
211.16905	2.0
219.21082	4.3
237.22090	2.3
245.04449	2.0
249.25728	5.6
273.04010	2.7
275.27356	24.2
281.04218	1.7
283.15439	2.1
285.03973	18.3
286.04373	2.1
287.05450	2.5
293.28394	65.0
295.10825	3.4
297.03812	2.9
299.05487	2.3
303.05020	3.4
311.29510	15.2
323.05511	2.3
325.11346	4.8
327.04874	7.7
351.05002	2.2
401.30640	2.4
419.31436	2.1
477.28439	2.4
505.36533	2.0
509.10760	13.8
671.20007	3.2
671.30762	3.5
679.30200	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	671.3638
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	6.1
55.05512	24.2
57.03428	5.3
59.05005	1.3
60.10514	1.4
61.02934	2.5
67.05505	28.9
69.02220	1.5
69.03436	6.3
69.07059	7.3
70.76409	3.6
71.04984	4.3
79.05493	26.9
81.03426	16.7
81.07050	27.0
83.04983	4.7
83.08620	16.5
85.02907	3.9
85.06531	2.0
91.05482	15.0
93.07043	17.4
95.04961	15.0
95.08613	14.0
97.02903	4.6
97.06525	5.5
97.09557	1.8
97.10172	24.4
105.07034	14.2
107.04952	16.8
107.08602	17.7
108.00291	1.3
109.02901	1.5
109.06541	9.2
109.10142	13.1
111.04456	1.8
111.08075	3.1
117.07018	8.0
119.04877	1.7
119.08582	10.4
121.06498	14.4
121.10131	7.7
123.04429	2.4
123.08073	4.7
123.11690	1.4
125.09630	21.7
127.03872	2.2
129.07008	6.0
131.04916	2.1
131.08585	11.2
133.06494	4.1
133.10126	6.9
133.66374	1.5
135.08063	8.5
135.11696	2.9
137.09596	3.9
141.06993	1.7
142.07826	2.0
143.08560	3.7
145.06487	10.4
145.10126	4.1
147.04428	2.7
147.08025	4.3
147.11699	4.5
149.05980	1.7
149.09633	3.0
153.09085	3.4
153.12695	2.3
155.08554	2.4
157.06506	2.3
157.10136	4.2
159.08051	4.1
159.11691	3.2
161.09602	2.6
163.03874	2.5
163.11182	4.1
165.09134	12.6
169.06435	1.5
169.10150	1.8
171.08109	2.0
171.10194	1.3
171.11659	2.9
173.11713	1.7
175.11203	3.3
181.06319	1.2
181.10214	1.5
185.09618	1.5
185.13272	1.3
187.11066	1.8
189.09373	1.9
189.11247	6.1
191.14307	1.5
193.12230	6.6
195.11786	2.0
197.13248	2.0
199.11237	2.5
199.13167	1.9
205.12268	2.0
211.11296	1.7
211.13205	2.2
213.12701	1.8
215.14333	3.7
217.12199	1.8
219.13809	3.4
223.11221	1.8
225.12773	1.5
227.12798	4.5
229.14186	2.7
233.15364	6.4
237.12788	3.0
241.14359	1.7
249.14806	2.0
255.13771	1.6
259.13324	2.0
261.14758	2.0
267.09073	4.9
267.15912	9.7
273.14774	8.1
285.10074	2.4
299.11749	1.6
339.23291	3.7
349.21716	6.2
355.15414	2.3
357.24081	3.2
364.16577	1.6
367.22687	23.8
385.23700	31.3
403.24777	11.1
407.08817	1.8
441.26437	9.0
459.27405	100.0
477.28494	81.6
478.28995	1.4
491.29916	7.9
509.30832	2.9
534.61737	1.5
567.29370	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	671.22
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02376	0.3
53.03939	0.3
54.18427	0.2
65.03940	1.5
67.05476	0.2
67.88245	0.2
69.03421	0.6
69.27032	1.8
70.06583	0.6
72.08137	0.3
77.03923	0.6
81.03421	3.4
83.06107	12.8
84.08109	0.3
85.02913	1.1
86.09694	0.9
89.03905	0.9
91.05484	20.2
95.04984	0.4
97.02881	0.7
98.21541	0.4
99.04420	0.5
102.48819	0.3
103.05490	0.4
104.37492	0.2
105.03395	0.4
107.05010	0.2
109.02882	1.1
110.07121	0.4
111.05550	0.4
117.03387	0.5
118.04179	0.4
119.04948	29.8
121.06515	0.2
123.04428	0.4
125.82046	0.2
127.03948	0.3
129.03400	0.6
131.04904	0.4
132.02095	1.4
133.02846	0.4
135.04436	0.5
136.04019	0.5
136.05168	0.5
145.02846	0.8
147.04414	26.6
149.02344	1.0
149.09715	0.2
150.03130	0.3
157.03961	2.7
160.01535	0.4
161.18607	0.3
163.03938	1.3
164.04683	1.0
175.03914	47.5
176.04340	0.3
177.05339	0.2
177.06680	0.3
179.07040	1.7
192.04221	0.7
207.06531	100.0
208.06836	0.8
218.09218	2.2
222.36714	0.2
225.07631	0.3
231.06419	1.4
246.08754	14.7
247.72816	0.2
259.11600	0.2
288.08377	0.8
303.10876	58.2
304.11237	0.7
351.10703	4.8
351.14630	0.4
369.11942	3.1
465.16260	2.8
671.21942	16.2
672.22461	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	669.4183
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	0.3
55.01864	0.2
55.05499	0.7
57.03444	1.7
57.07080	2.4
59.04997	0.3
61.02650	0.3
61.02932	4.8
61.52678	0.2
61.75112	0.2
67.05508	6.0
69.03426	2.5
69.07068	0.7
69.93652	0.6
69.94056	0.3
71.01360	0.3
71.05004	0.4
71.08636	1.9
73.02923	3.1
79.05493	0.6
81.03410	1.3
81.07057	2.2
83.08619	1.2
85.02910	4.3
85.10186	1.2
87.04469	0.4
91.03959	3.3
91.05476	0.5
93.07045	0.5
95.08602	2.2
97.02897	3.3
97.10197	0.5
98.21571	0.2
99.03738	0.2
99.04449	0.7
99.71740	0.2
100.57535	0.2
101.02377	1.6
103.03953	0.3
103.47754	0.2
105.07064	0.2
107.08610	0.3
109.02882	0.6
109.10161	7.0
119.08615	0.6
121.05411	0.2
123.11707	0.4
127.03912	1.5
129.05472	0.3
137.09637	0.5
145.04919	0.4
155.10695	0.8
173.11761	2.4
185.04266	0.8
195.09935	0.8
203.05328	0.5
229.14365	1.3
229.95166	0.2
239.23650	0.3
243.08391	2.3
251.12595	0.3
313.27347	1.1
331.06726	0.2
356.62036	0.2
413.17825	11.1
497.30856	5.4
669.41827	100.0
670.42236	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	670.2342
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	0.6
55.01871	1.0
55.05519	1.3
55.69070	0.3
57.03444	0.4
60.91262	0.3
65.03941	5.6
65.90934	0.4
67.05508	4.5
69.03435	1.5
69.07065	1.6
70.06588	0.7
71.04996	0.7
71.19234	0.6
73.02961	0.4
77.03922	0.5
79.05489	1.2
81.03406	1.2
81.07049	2.9
83.04990	1.2
83.08636	0.8
85.02922	1.5
89.03916	0.7
91.05482	12.1
93.03410	6.3
93.07051	1.8
94.07396	0.4
95.04964	1.2
95.08617	2.9
95.69243	0.4
97.02895	100.0
97.06514	0.7
97.10169	0.5
98.03238	0.6
99.04425	0.5
103.05463	0.6
105.07040	1.2
107.04948	0.9
107.08575	1.3
109.02819	0.5
109.06528	0.8
109.10173	4.5
111.04467	1.1
111.08084	0.5
115.05466	0.9
117.03330	0.5
117.07023	0.6
118.81580	0.3
119.04947	19.7
119.08581	2.0
121.02856	3.8
121.06489	0.4
121.10131	0.9
123.04428	1.6
123.11730	1.4
125.02363	1.4
125.09622	0.5
127.03915	0.6
128.06212	0.4
129.07004	0.8
131.04933	0.9
131.08586	2.4
132.02072	0.5
133.10138	1.3
135.04433	0.5
135.11696	2.9
137.06038	0.6
137.09659	0.5
138.05501	0.6
139.03918	1.4
140.04706	2.3
141.06967	2.3
144.05681	2.1
145.02931	0.5
145.06552	0.7
145.10138	0.4
147.04417	17.1
147.11781	0.4
149.02353	9.4
149.06078	0.4
149.13232	0.7
151.03926	0.4
151.14796	0.4
153.05482	1.0
154.06195	1.9
155.04930	0.4
155.07028	2.6
157.03983	1.7
157.06485	1.1
159.08072	3.1
161.06049	0.5
163.03906	1.9
163.14841	0.5
164.04593	0.7
166.08595	0.9
167.03407	57.8
168.05739	0.9
169.06453	2.1
172.05168	0.6
175.03909	32.2
175.14832	1.4
177.05489	0.9
177.16385	0.4
179.07025	1.6
181.04990	3.3
183.04436	0.7
184.05315	0.4
187.07538	6.2
191.06987	0.9
193.15945	2.4
197.05989	3.1
199.07539	0.5
203.07063	0.5
207.06537	72.7
208.06818	0.6
211.16917	3.6
214.06178	0.6
215.07013	3.0
217.08492	0.5
218.09424	1.4
219.06595	2.6
219.10147	4.2
221.08061	0.7
225.05508	0.5
227.12889	0.5
229.06581	0.5
229.08623	6.1
229.14333	0.6
233.08432	0.4
235.06084	0.5
242.05811	0.5
243.06555	1.6
245.14055	0.6
247.09700	5.5
257.08084	3.9
259.09534	0.7
261.07471	0.9
262.10703	0.7
267.15833	0.9
271.06033	0.4
273.25848	0.6
275.09137	18.9
280.11743	1.1
285.07666	0.8
292.27072	0.4
303.08673	4.9
303.28534	0.4
311.18359	0.5
321.09695	35.4
322.10046	0.6
335.10635	0.5
339.10696	6.5
369.05630	0.4
437.25803	0.5
463.58008	0.4
670.38184	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	668.3853
Annotation	Unknow
Peak:m/z	Relative Intensity
50.63242	0.6
53.03933	2.3
55.01846	0.9
55.05513	6.5
57.03437	11.8
57.07075	0.6
59.05000	3.6
61.02900	1.2
65.03925	1.3
67.05507	62.0
68.05799	0.7
69.03415	2.0
69.07040	2.7
69.21577	4.5
69.21983	1.5
71.04979	3.4
79.05500	6.6
79.37544	0.5
81.03421	48.8
81.06609	0.8
81.07058	13.1
83.04977	2.9
83.08619	13.4
85.02892	1.3
85.06511	1.7
91.05479	13.1
93.07055	5.3
95.04392	0.8
95.04971	14.4
95.08166	0.6
95.08611	6.1
97.02871	2.4
97.06501	1.5
97.10146	1.3
103.03944	0.7
105.07034	6.1
107.04964	4.0
107.08613	4.5
109.02866	0.7
109.06482	1.9
109.10159	60.7
111.04414	1.6
111.08068	7.1
117.06992	1.5
119.08577	11.2
121.06479	2.8
121.10155	3.3
123.04414	1.5
123.08044	1.6
125.09624	1.2
129.07037	5.0
131.08560	5.9
133.06485	1.7
133.10136	3.4
135.11682	0.9
137.09602	4.3
145.10123	1.3
147.08037	2.2
147.11719	4.6
149.09660	3.5
151.07573	0.7
155.10663	8.5
157.10147	7.7
161.56300	0.6
163.11237	1.6
165.12758	1.5
173.11740	15.5
175.11166	6.2
185.13232	0.7
193.12250	17.1
211.13356	1.6
223.13330	0.8
229.14357	87.1
230.14699	1.0
235.13559	0.7
249.14854	2.3
259.13211	0.8
267.15921	81.5
268.16220	0.7
273.14758	1.0
293.59772	0.6
301.14331	0.7
309.16669	0.7
311.19937	0.8
329.21008	2.0
347.22177	0.7
403.24823	9.8
421.25864	100.0
422.26111	2.8
463.26889	1.8
517.27844	0.9
529.28259	1.7
547.29010	1.4
565.30402	0.8
568.00031	0.6
699.96130	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	667.3873
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00004	0.2
53.05838	0.2
55.05503	0.3
55.45449	0.2
56.96589	0.3
58.98805	0.2
59.41777	0.3
67.05503	1.1
69.03425	0.6
69.07062	0.4
69.86006	1.3
72.08166	0.5
76.98405	0.2
79.05492	0.7
81.03423	0.4
81.07057	0.8
83.04987	0.4
85.02876	0.3
91.05487	0.9
93.07052	0.9
95.04997	0.4
95.08612	0.7
96.04488	0.7
97.02882	2.1
97.06546	0.6
98.97548	0.3
105.07049	0.6
107.04928	0.3
107.08604	0.8
109.02869	0.3
109.06519	0.5
109.10156	0.6
111.08050	0.3
119.04961	0.2
119.08626	0.8
121.10124	0.4
123.04494	0.3
123.56577	0.3
129.07016	0.2
131.08542	0.5
133.10150	0.7
135.04456	0.4
135.11731	0.4
137.05914	0.3
143.08661	0.3
145.02852	0.7
145.10143	0.5
147.08031	0.3
147.11731	0.3
149.09668	0.4
154.08612	0.5
163.03891	2.8
167.99940	0.2
173.13251	0.2
177.05643	0.3
184.07314	0.5
221.08109	0.4
308.92099	0.3
347.09735	0.6
359.20197	0.2
423.32654	0.3
429.28452	0.3
453.25055	0.4
496.16501	0.3
505.26199	0.4
505.33548	7.8
506.33954	0.3
583.03375	0.3
631.35144	0.3
650.05707	0.3
667.38806	100.0
668.39343	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	667.4416
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	4.9
55.01865	11.1
55.05518	25.8
55.80317	2.6
57.03447	17.2
57.07082	57.0
57.17417	2.7
63.19498	3.0
65.03934	5.0
67.05508	62.6
69.03423	9.5
69.07072	17.4
69.36047	26.2
69.60852	3.4
71.01337	4.1
71.04980	3.2
71.08632	51.6
78.59066	2.8
79.05492	33.6
79.10860	3.1
81.03418	46.3
81.07060	62.1
83.04972	9.2
83.08624	29.4
85.02909	23.1
85.10187	20.6
86.77905	3.5
91.05486	33.1
93.07060	27.3
95.01316	7.5
95.04377	4.8
95.04974	92.0
95.08614	52.5
97.02892	13.4
97.06568	6.0
97.10158	11.4
98.20762	6.3
99.04462	3.6
103.03953	15.6
103.05430	4.3
105.07043	21.2
107.04978	25.3
107.08604	22.8
109.02884	14.9
109.06516	13.1
109.10159	26.7
111.04446	10.7
111.08096	4.0
117.07033	14.5
119.04943	3.2
119.08607	18.8
121.02828	3.6
121.06495	20.6
121.10151	11.2
123.04434	58.2
123.08075	5.4
123.11655	7.4
125.09634	8.7
127.03946	4.4
128.06177	3.8
129.06995	13.4
131.04938	9.0
131.08562	14.4
133.06453	7.7
133.10139	9.4
135.08032	8.2
135.11699	10.2
137.02399	3.4
137.06010	4.6
143.08565	6.9
145.06453	10.0
145.10118	18.1
147.04405	23.1
147.08072	13.3
147.11691	6.4
149.05995	6.6
149.09653	5.2
151.11125	3.3
157.06538	4.5
157.10138	8.0
159.04391	3.4
159.08081	5.8
159.11688	6.7
161.05943	8.8
161.09663	6.1
163.11189	25.1
164.14047	2.9
171.04413	5.3
171.08076	5.8
171.11693	8.9
173.09619	7.9
175.11287	4.3
177.12611	3.5
185.13264	3.3
187.11246	4.3
189.05449	11.2
189.12717	8.9
191.10666	7.8
193.12244	10.9
199.11255	3.9
205.12209	7.6
207.13878	11.3
211.13239	6.3
213.12781	3.8
217.12225	9.7
223.13330	8.4
231.13786	6.2
235.13293	80.9
239.23656	16.1
249.14845	11.5
253.14473	4.4
255.13773	5.5
259.13300	31.9
273.14850	37.7
277.14392	14.0
283.13269	10.0
289.14258	6.3
301.14386	67.5
309.17001	9.7
313.27383	100.0
319.15427	24.2
333.17050	3.7
337.16351	15.1
341.26773	6.9
351.17996	6.8
352.35596	3.2
355.28442	5.4
357.17001	5.0
375.18011	30.0
393.19131	22.1
411.20294	17.6
415.30637	14.5
547.39880	34.0
589.40820	15.0
601.41107	7.6
613.40900	34.0
631.41980	15.3
649.42780	14.0
667.30365	3.9
667.41064	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	667.2973
Annotation	Unknow
Peak:m/z	Relative Intensity
51.87463	0.9
52.27641	0.9
55.01863	1.3
55.05506	1.4
55.47536	0.9
63.64424	0.9
65.03933	1.4
65.90952	0.9
67.05505	4.6
69.03390	1.3
69.07060	3.8
70.06598	3.1
71.52182	1.5
72.08150	1.9
76.32848	0.9
79.05493	2.0
81.03400	1.5
81.07047	3.2
83.04966	2.8
84.08163	1.2
85.02905	2.1
89.03925	1.6
89.06078	1.7
91.05471	2.9
92.57353	1.0
93.03378	1.4
93.07042	1.8
94.06558	3.5
95.04961	3.8
95.08624	2.0
97.02903	15.7
97.06522	1.5
99.08103	1.1
101.36110	1.1
105.07016	1.7
106.06562	2.6
107.04939	1.4
107.08577	1.4
108.08131	1.3
109.06528	1.3
109.10155	6.3
110.06030	1.3
111.08092	1.2
115.80335	1.0
117.03361	2.9
118.06546	0.9
119.08572	1.4
120.08092	1.8
121.06496	2.0
121.10143	2.4
122.06029	12.0
123.04401	2.1
124.07525	1.3
131.08554	1.0
133.10161	1.5
134.06023	2.2
135.04411	4.2
135.11720	1.3
136.07581	19.7
137.02333	1.1
137.05978	3.1
137.09586	7.1
138.05515	1.7
140.07083	18.4
145.02829	4.8
146.05991	6.6
147.04433	2.1
147.08249	0.9
148.07594	9.1
149.02399	1.2
150.09160	1.5
152.07065	3.0
162.09097	1.2
163.03917	22.0
163.07468	1.2
164.05682	2.3
164.07079	47.9
166.08655	23.8
167.03377	3.9
167.06981	1.6
172.03891	2.8
174.05504	7.4
175.07541	3.1
176.07066	13.2
177.05463	3.9
185.05992	2.0
190.05008	4.1
193.15901	11.0
204.06563	4.0
204.18275	1.0
206.08131	2.0
208.09779	2.0
210.11455	2.2
211.12315	1.8
211.16943	4.5
223.12334	2.9
224.12961	1.2
225.10188	2.4
225.13873	1.1
227.11882	1.8
231.06535	2.7
235.12241	2.4
236.13022	2.1
237.10207	5.8
237.13875	2.6
238.10988	8.6
239.11830	13.0
243.11223	1.9
246.07564	1.2
248.09448	1.5
249.10172	3.7
250.10950	4.8
251.11768	12.0
252.12576	2.4
253.10942	1.0
253.13365	4.6
255.11234	1.5
261.12521	1.6
263.11795	12.2
264.08878	2.5
264.12430	2.1
265.09824	4.2
265.13348	24.6
266.13925	1.5
267.11267	2.8
269.12799	3.8
271.14398	3.6
275.11728	1.5
277.07059	6.8
277.09753	5.0
277.13037	2.2
278.10654	2.9
279.11285	74.6
280.12039	4.3
281.12802	4.0
283.10928	1.9
283.14395	3.4
283.64880	1.1
284.11487	1.7
285.12335	3.5
287.13898	11.9
291.11267	4.7
292.12152	2.2
293.12833	10.7
294.13461	1.5
295.10712	4.5
295.13766	1.3
296.11539	3.9
297.12354	37.7
298.12878	4.8
299.13937	1.8
303.13519	1.4
305.14789	3.4
309.12360	31.5
310.13095	18.0
310.79846	1.3
311.13907	56.5
312.14697	10.9
313.11780	7.1
313.15448	6.3
314.16016	1.2
315.13229	1.4
319.10846	4.5
321.12201	6.0
324.10950	2.0
325.11520	1.2
331.13022	1.6
337.11819	69.0
338.12552	20.9
339.13403	38.8
340.14246	1.5
345.14404	1.7
369.14511	10.5
370.15265	2.3
371.16113	12.2
372.16916	1.6
373.13947	1.9
374.14960	1.7
390.17841	1.9
398.14877	2.8
399.15659	3.7
400.16519	5.1
401.13525	6.5
416.16238	2.2
417.16736	2.1
418.17508	2.1
434.16876	3.1
450.20535	2.1
452.21826	100.0
453.22156	2.4
458.17157	6.6
459.17685	1.5
476.18173	7.4
478.19781	32.5
480.20908	1.4
494.19153	7.3
495.19797	2.7
496.20828	9.3
510.22397	25.7
573.27277	1.0
575.24872	2.5
581.24707	1.2
584.78931	1.3
591.27686	2.9
599.24738	7.5
617.16748	1.4
617.25977	18.6
635.27142	66.6
636.27515	1.9
656.02789	1.1
667.29218	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	667.2964
Annotation	Unknow
Peak:m/z	Relative Intensity
51.78475	0.4
55.01873	0.6
55.05508	2.0
57.07080	0.9
58.34647	0.5
59.05008	0.5
65.03939	4.2
67.05516	6.8
69.03429	1.9
69.07082	3.3
69.43501	2.6
69.43908	0.9
71.04999	1.1
71.53271	0.5
72.92429	0.5
77.51753	0.6
79.05489	2.0
81.03438	0.7
81.07060	5.6
83.05005	2.6
83.08611	1.9
85.02923	0.8
85.06532	1.1
89.03919	3.2
91.05496	1.8
93.03413	7.0
93.07038	3.0
95.08611	8.2
97.02897	100.0
97.06559	0.6
97.10111	0.6
99.08089	0.9
100.61966	0.4
105.07026	1.9
107.04948	1.6
107.08589	6.3
109.06537	1.7
109.10165	28.7
111.04443	1.1
111.08033	1.1
117.03379	6.4
119.08585	11.5
121.02866	1.8
121.10168	3.6
123.04433	1.1
123.08060	3.3
123.11723	2.0
125.02388	0.7
126.02540	0.5
127.11232	0.5
128.06194	1.2
129.07011	7.8
133.10147	5.5
135.04424	13.0
135.11699	29.3
137.02345	3.5
137.09645	3.9
139.03838	0.6
139.05450	1.3
139.11266	0.5
141.06978	2.3
145.02855	11.7
147.04434	0.9
147.08057	0.9
149.02324	4.7
149.13324	2.4
151.11194	1.9
151.14822	2.6
157.06516	8.3
163.03914	88.7
164.04343	0.6
165.16376	0.8
167.03424	24.0
167.04912	2.0
169.06502	2.2
173.06007	2.3
174.06770	1.4
175.03925	1.3
175.07553	16.6
175.14838	11.6
179.77469	0.5
181.04950	0.7
185.05986	12.0
187.07576	1.2
193.05089	0.5
193.15894	19.5
195.04341	0.6
200.04594	0.6
201.05467	2.4
203.07062	8.1
211.16942	35.0
212.17517	0.5
213.05475	6.9
216.00792	0.5
231.06529	17.2
249.07727	0.7
259.06012	7.1
275.44968	0.5
277.07089	56.1
280.77869	0.5
281.59357	0.5
295.08130	12.7
325.08896	0.8
373.22025	0.7
508.93896	0.5
649.28320	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	665.2808
Annotation	Unknow
Peak:m/z	Relative Intensity
51.27234	0.4
52.14672	0.4
52.14948	0.4
55.01872	1.6
55.05499	0.8
57.03423	0.4
63.02374	0.5
64.52621	0.4
65.03940	4.5
67.05506	2.6
69.03425	1.9
69.07053	0.8
69.36401	2.7
69.36810	0.7
70.06584	0.4
71.04980	0.9
79.05482	1.8
81.03387	0.6
81.07068	2.3
83.04967	1.0
83.08631	0.5
85.02901	1.1
89.03903	3.5
91.05486	3.1
93.03413	6.9
93.07037	1.2
95.04960	0.8
95.08611	1.0
97.02895	100.0
97.06553	0.7
102.01913	0.4
104.12464	0.4
105.07023	2.6
107.04948	1.7
107.08591	4.9
109.02910	0.5
109.06538	1.2
109.10165	1.9
111.04440	1.2
115.05446	0.9
117.03391	5.2
117.06984	0.5
119.04984	0.5
119.08564	1.0
120.08114	0.8
121.02825	2.0
121.06538	0.6
121.10146	3.3
122.07318	0.7
122.09672	2.8
123.04444	1.3
125.02392	1.0
127.03928	0.6
127.07600	0.7
128.06239	1.5
129.07004	7.6
131.04865	0.6
131.08540	0.7
133.10135	28.1
135.04422	11.6
135.08044	3.3
135.11703	0.5
137.02354	3.1
137.09625	14.8
139.03914	1.0
139.05431	1.4
141.07030	2.2
145.02846	9.1
145.06516	0.4
145.08604	3.4
145.10152	0.6
147.04414	0.8
147.08054	1.1
147.11679	0.5
149.02347	4.3
149.09563	1.2
149.13251	3.5
157.06505	6.7
160.05191	0.9
163.03906	86.6
163.14891	0.8
164.04236	0.8
166.08707	1.0
167.03416	23.9
167.04897	1.5
169.06451	2.4
173.05963	2.3
173.13269	1.7
174.06731	1.7
175.03955	2.2
175.07556	14.4
177.05496	0.8
185.04446	0.8
185.05989	11.4
187.07587	1.5
191.09038	0.6
191.14301	15.4
193.04938	0.6
195.04326	0.7
201.05450	2.1
203.07043	9.2
209.15363	5.8
211.83846	0.5
213.05479	6.8
215.07080	0.6
231.06531	17.3
235.14992	0.5
241.05019	0.8
249.07549	0.4
257.66275	0.5
259.06039	4.6
277.07071	53.7
278.07190	0.8
287.16495	1.2
294.53427	0.5
295.08154	10.3
314.88278	0.5
325.09140	0.7
430.17700	0.5
432.18945	0.6
448.18372	0.8
476.17999	2.2
508.20432	1.4
524.20227	0.9
629.26172	0.6
633.25153	1.4
647.25659	0.6
665.25256	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	665.2818
Annotation	Unknow
Peak:m/z	Relative Intensity
64.70619	0.4
67.05489	0.7
69.07073	3.3
69.46967	0.4
71.16681	0.5
71.17028	0.7
81.03412	0.5
84.08152	0.6
84.41433	0.4
91.05445	0.4
93.05776	0.6
94.06575	4.5
95.04974	1.0
97.02918	0.7
97.06530	0.4
98.36676	0.4
108.08113	1.4
110.06055	0.6
112.07613	1.0
116.04988	0.7
118.06554	0.8
120.08141	0.6
122.06039	14.0
123.04421	0.9
134.06035	1.1
136.07578	0.5
138.05530	0.6
140.07069	23.4
144.04457	1.5
145.46359	0.4
146.06018	9.1
146.07108	0.7
147.04388	0.4
147.06825	1.0
148.07584	1.9
152.07050	0.8
160.07585	1.4
162.05518	1.4
163.03935	0.8
163.06310	0.8
166.08646	0.6
172.03923	9.3
173.04758	1.9
173.76952	0.4
174.05513	13.5
176.07065	8.3
177.07796	0.6
187.08771	0.5
187.12352	0.5
188.07205	0.7
190.04968	3.6
191.05846	1.0
192.06639	1.4
197.07115	1.1
197.10812	1.2
198.09312	0.6
199.08713	0.7
200.09419	0.5
204.06573	18.4
204.08499	1.0
206.08163	6.6
211.08694	1.2
211.12354	0.9
212.09477	1.1
213.10190	2.3
215.11823	1.8
217.50293	0.5
224.09496	0.7
225.10315	2.5
226.11070	0.6
227.11839	0.7
229.09743	0.4
237.10303	1.8
238.10988	0.9
239.11867	1.3
241.09685	2.6
243.11285	11.0
243.13661	0.7
249.10365	1.0
251.08012	0.5
251.11890	1.4
252.09074	0.5
253.09882	0.5
255.11391	1.2
256.12027	0.7
257.09232	1.0
257.12900	1.0
261.12399	0.8
263.08221	1.1
263.11859	0.7
264.09015	0.8
265.09763	2.8
265.12952	0.4
266.10583	1.1
267.11398	1.1
269.09119	2.4
271.06107	0.8
271.10864	1.3
272.11694	0.7
273.12405	1.0
277.09964	1.0
279.11340	1.3
280.12106	0.8
281.09467	0.6
281.12692	0.6
283.10727	3.7
284.11685	1.3
285.09143	0.8
285.12326	15.4
287.10321	3.9
287.13947	2.0
288.11432	0.9
295.10730	0.7
297.12424	1.0
298.13339	0.5
299.10324	3.3
299.13681	0.8
300.11475	0.9
301.11584	2.1
302.12939	0.7
303.13367	24.0
304.14368	1.5
305.09128	0.5
309.12454	0.7
311.10294	0.6
313.11807	28.6
314.12418	0.6
315.10303	0.6
315.13849	0.6
316.10986	1.0
316.14554	1.7
317.11905	1.0
317.15460	1.6
318.12878	0.5
318.15985	2.7
318.21533	0.5
319.16800	2.1
323.10315	1.7
324.10690	0.7
325.11887	1.0
328.14716	1.1
329.11548	1.6
330.12454	2.3
330.15765	0.8
331.12943	5.4
331.16550	0.8
332.13943	1.1
332.17825	1.1
337.11768	0.7
338.12433	0.5
340.14420	0.6
342.16232	1.3
343.13770	0.7
344.14005	2.1
345.14508	14.0
346.15576	4.4
347.16357	3.2
348.17233	0.6
354.12503	0.6
356.10104	0.9
356.13779	0.9
357.15152	0.5
358.11719	1.6
358.15652	2.5
359.16620	0.8
360.17130	4.6
368.13770	0.6
370.11890	1.2
370.15842	0.9
371.12527	2.3
372.13345	4.9
372.17032	0.6
373.14139	3.0
374.14893	4.8
375.16278	0.4
376.16599	0.7
378.18082	0.9
381.10889	1.0
384.13181	0.8
384.17462	0.9
385.14447	1.7
386.15021	7.1
387.15753	6.2
388.16638	5.7
390.18518	1.0
396.13495	1.2
398.15033	1.1
400.12842	1.1
400.17029	1.2
401.13687	0.8
402.13635	2.1
402.18842	1.1
403.16019	0.7
404.15976	3.5
405.16852	1.9
406.17572	5.0
407.18372	0.6
412.16803	0.5
414.14374	5.8
414.18997	0.6
415.15253	15.9
416.16068	19.3
418.18115	2.0
419.18536	0.9
428.16107	2.1
429.16873	1.0
430.17828	4.1
431.18250	0.7
432.15350	2.6
433.16489	4.0
434.17105	5.5
438.14569	0.8
446.17078	5.9
447.17963	2.8
447.84311	0.5
456.15482	4.3
457.16415	1.5
458.17181	0.9
460.15283	0.6
464.18732	0.5
474.16580	20.1
475.17267	8.5
476.18124	5.2
497.94568	0.5
506.19293	4.7
507.19849	1.5
524.20483	0.7
571.25116	1.4
573.23596	2.4
597.23303	5.1
615.24475	100.0
616.24603	2.7
633.24335	0.5
647.27112	7.2
665.28571	1.0
687.74524	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	663.4535
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07079	48.8
57.07468	1.6
77.03947	0.6
87.04456	1.1
89.50280	0.5
91.05002	0.5
91.05476	6.0
95.04938	0.7
98.98418	0.5
105.06978	2.0
117.07033	0.6
119.08548	1.4
132.09323	0.4
133.10173	0.6
135.80156	0.4
141.52130	0.4
147.11667	5.8
152.06239	1.3
153.07008	3.8
163.39688	0.4
175.01575	0.6
177.32289	0.5
179.86357	0.4
185.46750	0.5
198.19150	0.5
228.09317	0.6
229.10188	0.7
230.46361	0.6
233.03603	5.1
251.04694	16.9
292.07278	0.5
307.10971	2.4
327.07806	100.0
328.08118	1.5
383.14069	71.8
424.17151	0.6
439.20355	79.5
440.20502	1.9
449.88577	0.5
495.26599	65.6
496.26886	1.4
510.29526	0.5
551.32867	89.1
552.33179	1.7
607.39111	79.8
608.39465	1.8
663.45355	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	664.4628
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	6.1
57.03437	11.3
57.07078	23.4
58.63617	0.5
59.04990	2.8
61.02925	4.5
65.03933	0.9
67.05503	63.3
69.03411	1.3
69.07066	6.4
69.18007	1.2
69.18426	4.5
70.68449	0.5
71.04992	2.6
71.08630	16.9
72.91734	0.6
73.02915	1.4
79.05473	1.3
81.07055	13.2
83.08150	0.9
83.08620	10.7
85.02910	4.5
85.06522	2.2
85.09743	0.6
85.10191	10.7
87.04482	0.7
89.06034	1.1
91.03936	2.3
91.05470	3.6
93.07029	2.8
95.08604	15.4
96.17023	0.5
97.02910	2.8
97.10171	3.1
99.04393	0.7
103.03979	0.6
103.07581	0.9
107.08572	1.1
109.10155	66.3
110.70493	0.5
111.08073	3.0
111.11764	0.6
119.08567	4.1
121.10087	0.7
123.11699	2.1
127.03855	0.7
136.52779	0.5
137.09578	3.3
137.13248	1.0
155.10641	6.6
173.11748	15.1
184.07365	0.6
229.14346	100.0
230.14445	0.8
239.23645	1.5
257.24722	1.2
313.27356	81.8
314.27866	1.4
467.37354	63.7
468.37796	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	663.4142
Annotation	Unnarmicin C
Peak:m/z	Relative Intensity
50.53533	0.9
55.05520	2.6
56.96565	12.9
57.03438	0.9
61.02909	1.0
67.05504	5.6
69.03436	1.8
69.07079	1.2
69.47241	4.3
69.47655	2.1
71.05013	1.6
71.07545	1.0
71.95267	3.3
74.97614	0.9
79.05504	3.0
81.03417	3.0
81.07062	4.3
83.05002	1.6
83.08630	1.0
84.96046	1.9
85.02895	1.6
86.97668	0.8
89.54838	0.9
91.05504	3.2
93.00067	0.8
93.07059	3.5
95.05028	1.7
95.08612	1.8
95.29609	0.8
97.02893	1.4
97.06565	1.7
97.10195	0.9
98.97610	2.0
105.07059	2.2
107.08584	1.5
109.02921	1.1
109.10183	3.2
110.97574	6.7
117.07064	1.7
119.08595	1.9
121.10217	2.0
123.04462	1.0
124.99168	1.3
125.09684	1.3
125.45559	0.9
128.98630	5.9
129.06996	1.0
129.99364	2.2
133.06476	0.9
133.10179	1.4
141.99426	1.0
143.00243	1.4
145.10204	0.9
146.99710	1.6
148.00482	3.3
149.09657	1.0
152.00262	1.0
153.02293	1.1
159.11722	0.9
160.00520	2.1
161.01268	1.7
161.98360	1.5
171.03314	4.8
173.04750	1.2
181.05469	1.1
182.99652	1.0
184.04195	1.1
185.01392	1.4
185.04924	2.6
189.04366	1.7
197.01230	7.6
197.04994	1.3
199.02866	1.0
199.06487	5.4
201.00764	1.2
201.04372	1.5
202.05174	1.9
203.06018	2.4
209.04951	1.1
211.06526	2.3
213.08069	3.2
215.02374	5.4
217.07388	5.5
221.04959	1.1
227.05898	5.0
227.09538	1.9
229.07532	8.6
231.09088	3.5
236.09784	1.0
238.03908	0.9
239.05927	9.1
240.06732	5.0
244.06406	2.1
245.07050	3.5
245.10840	1.1
247.08636	3.5
257.06961	24.3
258.07751	21.0
259.08627	1.3
262.07666	1.2
272.05728	2.8
275.07950	5.3
276.08881	8.8
280.08688	2.8
281.09277	2.1
290.06662	1.2
291.16464	2.6
291.19522	1.6
309.17471	5.0
315.16589	1.2
333.17361	25.1
351.18417	77.8
352.18661	1.1
354.32602	0.9
369.19489	90.3
370.20010	1.1
374.19901	6.8
387.20831	3.4
392.21085	20.1
393.21719	0.9
415.24414	1.5
501.32269	1.5
617.33014	1.6
645.40521	1.9
663.41626	100.0
664.41803	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	663.3026
Annotation	Unknow
Peak:m/z	Relative Intensity
54.31862	1.0
55.01876	1.7
55.05502	3.1
56.96563	2.5
57.03433	1.8
59.40607	1.2
67.05496	5.1
69.03419	3.7
69.07060	3.7
69.37812	2.7
69.38239	6.8
69.66491	1.1
70.06587	2.9
73.02921	1.3
79.05485	4.8
81.03415	3.2
81.07064	6.1
85.02895	2.9
89.03889	1.4
91.03984	1.1
91.05486	3.5
93.07043	4.3
94.06505	1.5
95.04968	3.2
95.08593	4.7
97.02911	6.5
97.06541	11.7
98.97633	1.5
105.07040	4.1
107.04965	2.0
107.08582	4.0
109.06509	1.3
109.10175	2.7
111.04441	1.1
112.07641	1.5
117.03432	1.4
117.07016	1.8
119.04908	1.6
119.08581	3.4
120.08105	1.9
121.10132	2.8
122.06013	3.1
123.04451	12.8
123.08073	1.5
129.07028	1.4
131.08601	3.4
133.10114	2.5
135.04428	2.0
135.11742	1.2
137.02377	1.5
138.50179	1.1
139.03923	3.1
140.07074	4.0
145.02798	1.5
145.10120	2.6
146.06052	1.5
147.04440	2.9
147.11702	2.4
149.09682	1.6
151.03969	1.1
152.07114	2.8
154.08615	2.1
155.03342	1.2
157.10127	2.1
159.11707	1.7
161.06013	2.2
161.09648	1.5
163.03906	10.9
165.05602	2.5
167.03398	1.5
172.03973	3.2
173.13281	1.3
174.05528	2.5
176.07124	3.1
177.05525	4.8
187.14790	1.4
189.09091	2.1
191.03381	3.0
191.07019	1.5
193.08524	1.1
194.08127	3.6
197.13121	1.5
207.06476	1.3
215.07022	2.7
221.08098	1.3
225.10193	4.2
227.11887	2.8
237.10262	2.2
238.11066	1.6
239.11693	1.4
249.10072	1.7
251.11913	2.7
253.09656	7.8
259.09628	4.3
263.11642	1.5
265.09628	3.6
266.10480	3.0
267.11258	4.4
269.12735	2.1
271.10699	1.8
277.09711	1.9
279.11380	4.2
280.12106	1.8
283.10934	2.2
283.14325	1.8
285.12299	3.5
287.13950	3.0
293.09219	15.9
294.09958	16.1
295.10739	11.6
295.13828	1.6
297.12381	8.8
298.13327	1.3
307.14417	1.4
308.11484	1.7
309.08826	1.4
309.12323	35.7
310.13080	1.8
311.13000	2.5
312.11041	4.8
313.11703	6.3
314.12354	1.3
325.11682	1.4
327.13351	19.9
331.13187	1.6
331.16705	2.3
335.09714	1.7
336.11078	1.7
337.11191	1.5
339.13373	12.1
340.14291	1.9
341.14951	2.6
344.17395	2.0
345.14578	1.9
351.13425	7.3
353.11331	1.8
353.17456	1.5
354.11987	2.0
358.15652	2.1
367.12833	11.2
368.13596	2.0
369.14468	100.0
370.15015	2.3
384.13501	2.4
398.15155	1.5
399.15756	7.7
400.16443	8.3
401.17084	34.9
414.17783	1.6
418.17334	1.3
458.17261	7.7
459.17740	3.3
465.29590	2.6
468.21429	2.3
490.19470	2.5
508.13651	2.0
508.20862	31.2
509.21686	21.8
540.23389	20.7
541.24298	6.9
567.19916	1.9
573.28131	1.5
583.23212	2.3
585.21222	10.4
599.25067	41.6
602.90631	1.2
603.21686	1.8
631.28278	6.7
663.29810	15.0
663.40253	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	663.3013
Annotation	Unknow
Peak:m/z	Relative Intensity
51.66799	4.8
53.03933	13.2
55.01867	12.5
55.05513	33.0
57.03448	5.3
65.03928	4.8
67.05505	83.8
69.03419	7.7
69.07073	59.5
71.04992	7.2
71.52750	6.7
73.02905	3.7
79.05067	7.8
79.05495	100.0
81.03423	52.9
81.07065	55.8
83.04982	18.8
83.08614	12.8
85.02914	13.9
85.06516	4.8
89.03920	8.3
91.03937	5.9
91.05486	84.0
93.07048	61.8
94.07802	4.4
95.04972	33.4
95.08614	63.0
97.02886	11.5
97.06525	13.1
97.10161	17.6
103.05463	5.3
105.07028	43.9
107.04958	63.7
107.08601	66.5
109.06510	17.1
109.10158	39.9
111.08070	6.7
117.03378	5.8
117.07010	29.3
119.04939	4.8
119.08582	42.1
121.06501	11.7
121.10153	30.9
123.08054	15.1
125.09595	9.6
127.03912	5.4
129.07001	15.3
131.04912	5.8
131.08554	31.1
133.02892	5.1
133.06520	9.8
133.10120	24.6
135.04402	16.0
135.08051	29.2
135.11694	9.2
136.08821	14.7
137.09615	20.7
139.11165	6.2
141.07074	5.3
142.07819	4.7
143.08565	19.2
145.02846	10.1
145.06540	5.5
145.10110	27.9
147.04405	6.7
147.08002	11.6
147.11699	13.0
149.05933	6.1
149.09613	48.1
151.11186	7.8
153.06976	5.8
155.08553	6.1
157.06563	4.8
157.10141	17.7
159.04436	7.4
159.11703	11.8
161.02290	6.7
161.06065	5.3
161.09616	18.8
163.03900	93.1
163.11113	7.7
167.08545	4.9
167.10744	4.3
171.11621	9.5
173.02377	16.4
173.06020	9.0
173.11746	10.3
173.13179	4.5
175.03868	8.9
175.11212	19.2
177.12799	8.0
178.50377	4.5
180.14964	4.2
183.04420	6.3
184.07367	5.2
185.05907	5.5
185.09634	6.6
185.13232	6.1
187.03889	29.9
187.11353	7.3
189.05432	6.0
189.12726	8.3
191.10698	6.0
191.14304	6.0
197.09607	4.4
199.03947	23.2
203.10674	5.0
213.05525	13.0
217.12045	5.2
222.10329	4.4
223.13342	8.2
227.17957	6.7
229.14143	5.0
235.13251	5.1
241.08658	10.9
244.31409	4.3
245.19005	9.8
255.10191	18.8
255.17529	10.5
265.12363	6.2
267.10110	7.5
269.11636	12.8
273.18533	46.6
274.19113	5.9
281.11658	7.6
283.13214	12.5
291.19568	96.6
292.20361	6.0
297.11243	11.5
311.12607	7.6
315.12033	6.3
360.83969	4.9
389.20947	12.4
391.22849	8.5
395.07050	4.7
407.22244	27.2
417.20679	78.5
435.21716	95.4
453.17004	7.2
453.22763	94.3
663.33362	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	663.301
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	2.6
55.01864	8.5
55.05506	17.4
56.96561	5.1
57.03437	8.1
59.04994	3.3
61.02927	4.6
65.03941	2.8
67.05507	42.8
69.03436	14.2
69.07069	31.6
69.22255	6.0
69.22660	18.3
71.05005	4.5
73.02911	3.4
77.65891	2.2
79.05499	20.3
81.03418	13.9
81.07050	30.3
83.04980	5.8
83.08613	8.6
85.02909	28.7
85.06545	3.4
86.09707	3.0
87.04475	2.9
91.05482	16.8
93.07042	23.5
93.88555	2.1
95.04980	10.5
95.08604	34.1
96.04494	100.0
97.02901	14.9
97.04824	18.4
97.06540	21.1
97.10172	7.9
98.20808	6.1
99.04488	2.9
103.03915	2.7
105.07041	11.4
107.04978	9.3
107.08602	14.8
109.02891	6.9
109.06503	6.8
109.10149	25.2
111.08041	3.0
112.15817	2.3
115.05445	4.6
117.07024	6.6
119.08564	11.1
121.02916	2.7
121.10123	3.7
123.04433	42.8
123.08063	9.2
125.09667	6.5
127.03951	7.0
128.06174	2.9
129.07005	7.0
131.04933	6.1
131.08594	6.8
133.10156	6.3
135.04425	5.6
135.08031	3.9
136.07607	7.1
137.06023	3.2
137.09610	6.3
139.03909	5.6
139.11217	2.7
140.07088	27.6
141.07011	4.1
143.04930	4.9
143.08589	2.5
145.02827	3.8
145.04913	3.3
145.06516	3.2
145.10117	3.9
147.04425	9.6
147.08073	4.2
148.98773	2.6
149.05939	5.1
149.09564	2.5
153.07016	9.7
155.10648	4.6
157.06505	3.9
157.10143	3.7
160.05164	3.2
161.05988	16.2
163.03926	15.6
163.11230	3.4
165.05508	4.5
165.06992	5.3
165.09120	2.6
169.06558	4.7
171.08093	3.3
171.11594	2.9
172.03987	3.1
173.06007	38.1
173.09653	2.8
173.11760	14.5
173.13091	2.7
175.03915	18.1
177.05466	21.2
179.08511	3.0
181.06509	10.3
183.04475	5.1
183.08060	4.9
184.05231	3.0
184.07367	6.4
185.05978	8.7
187.03899	5.3
187.07527	10.7
189.05490	19.7
189.09122	8.0
189.11217	2.7
191.03329	5.1
193.06503	8.7
195.04388	4.8
195.08072	5.3
197.05988	16.7
198.06758	5.8
199.03932	4.5
199.07573	21.3
200.04942	2.5
201.05472	26.9
201.09071	7.6
203.07013	11.8
204.06619	5.1
206.08058	5.4
207.08122	3.8
209.06078	3.1
209.09692	5.5
210.06815	6.5
211.07545	25.5
213.05476	21.7
213.09067	5.6
214.06259	6.0
215.06985	18.6
217.05011	10.6
217.22232	3.2
221.09671	3.3
221.15312	3.0
223.07545	7.7
223.11130	4.2
224.08473	2.5
225.05472	3.8
225.09229	4.4
226.06409	4.8
227.06985	18.0
227.10715	11.1
229.04919	2.9
229.12141	7.0
235.07634	4.4
237.09084	7.6
239.07069	4.5
239.10703	4.8
239.16380	4.9
241.05003	3.1
241.08566	4.7
241.12300	9.5
243.06458	3.8
249.08932	5.9
251.07048	4.3
251.10753	11.1
253.05049	2.8
253.08507	4.2
253.12241	11.2
255.06528	5.7
255.10339	5.1
256.10831	6.0
257.12134	4.4
259.09531	3.3
263.07050	3.9
263.10596	7.4
265.12271	5.5
267.06528	3.5
267.09109	10.8
269.11755	39.7
271.13300	54.2
277.12399	4.0
279.10373	3.2
281.11737	35.3
283.13300	6.0
284.11508	3.7
285.09979	4.4
287.10571	3.1
291.19498	3.8
293.11710	4.0
295.13281	3.2
299.12796	16.5
300.12112	3.4
302.12573	8.2
305.11719	4.1
307.13382	3.6
309.11340	4.0
311.12778	7.6
313.11835	6.7
331.12534	3.2
337.10812	5.1
338.14026	18.7
339.14200	34.7
341.13745	3.4
345.14352	10.8
353.17505	8.4
355.15494	5.4
364.16464	5.5
389.21143	7.5
391.22504	3.8
407.22214	24.7
417.20618	18.0
425.23053	4.7
433.16089	3.0
435.21756	43.5
451.17377	7.9
453.22702	30.7
463.17572	4.4
471.23682	9.9
501.19443	9.9
527.15765	2.8
567.19604	4.1
583.22675	4.6
585.21124	30.1
603.21991	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	662.4474
Annotation	Unknow
Peak:m/z	Relative Intensity
51.47569	0.7
51.84727	0.6
53.03933	1.9
55.01865	0.9
55.05272	1.0
55.05511	11.8
55.12980	0.7
57.03442	12.7
57.07087	4.2
59.04995	2.9
60.05642	1.1
61.02927	4.3
62.46640	0.8
63.14513	0.7
65.03951	1.0
67.05507	68.9
69.03409	1.4
69.06733	1.1
69.07074	16.0
69.45516	3.5
69.45944	2.2
71.04984	3.4
71.08632	3.3
73.02916	1.3
79.05489	5.7
80.42377	0.7
81.07061	22.0
83.04999	0.9
83.08631	15.5
85.02909	4.6
85.06551	2.7
85.10141	1.1
86.09707	1.2
87.04465	6.7
87.25938	0.9
91.03960	1.3
91.05490	3.9
93.07053	8.1
95.08607	16.7
97.02905	2.5
97.06536	2.6
97.10172	7.2
99.08066	1.0
107.08615	6.4
109.10162	68.7
111.08082	4.0
111.11736	1.8
115.07507	0.8
119.08590	5.8
121.10154	9.1
121.30568	0.8
123.11726	2.2
124.11024	0.8
124.99992	1.1
125.09642	1.2
135.11674	5.9
137.09628	3.0
137.13245	2.1
147.08057	0.8
149.13249	2.9
155.10703	5.9
173.11745	14.4
184.07384	2.7
219.21056	1.9
229.14363	100.0
233.18988	0.9
237.22098	2.7
311.25818	76.9
334.37283	0.9
347.95129	0.7
465.35791	66.1
466.35852	0.9
662.43427	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	662.4325
Annotation	Unknow
Peak:m/z	Relative Intensity
51.23642	0.2
53.00317	0.3
53.03942	0.4
55.01861	0.4
55.05513	0.6
57.03439	6.3
59.05002	100.0
60.05343	0.3
61.02926	1.2
66.28822	0.2
67.05508	0.7
69.03436	2.8
69.07064	0.8
69.40408	1.3
70.06582	0.6
71.04996	0.5
71.67190	0.2
72.08154	0.3
73.02917	0.5
79.05500	0.6
81.03419	1.8
81.07064	1.2
83.04974	0.5
83.08603	0.5
85.02908	11.1
86.09714	0.4
87.04478	0.5
91.03956	0.7
91.05481	0.9
93.07040	0.7
94.20654	0.2
95.04971	0.6
95.08595	1.0
97.02898	5.4
97.06541	1.2
97.10156	0.3
98.21568	0.5
99.04472	0.5
99.08089	1.6
100.07632	0.4
101.09651	1.6
105.07011	0.9
107.08593	0.8
108.04516	0.3
109.02870	0.9
109.06506	0.2
109.10175	1.0
111.04438	0.3
111.08067	0.3
115.07562	2.7
117.09134	42.5
118.09406	0.3
119.08559	1.0
121.10162	0.5
123.04421	0.8
123.08039	0.3
123.11728	0.3
127.03915	3.1
131.04890	0.3
131.08536	0.4
133.10092	0.7
135.04395	0.4
135.10187	0.4
135.11694	0.6
139.03877	0.5
141.17853	0.2
145.02846	0.3
145.04964	3.8
145.10155	0.4
147.04424	0.5
147.11685	0.6
149.09631	0.3
149.13231	0.3
151.03905	0.5
155.08630	0.2
157.10170	0.4
158.11758	0.5
159.11694	0.4
159.13777	0.3
161.05962	0.3
161.13306	0.7
163.03969	1.1
163.05997	2.1
164.04314	0.2
167.07098	0.3
173.11743	0.5
175.13309	24.1
177.05452	0.7
183.99850	0.3
184.07352	0.8
193.12343	0.3
193.14363	0.6
217.05003	0.2
218.68369	0.3
233.17477	10.8
239.11751	0.4
240.12277	0.3
251.18550	2.5
253.09694	0.3
257.22629	1.8
268.11240	0.3
272.00339	0.4
275.23715	3.0
285.21777	0.3
291.21692	3.2
296.11108	0.3
303.23047	0.3
309.22708	2.4
313.11801	1.0
314.12140	1.4
321.24216	3.4
341.11176	0.7
342.11682	0.5
349.25644	0.7
367.26846	0.5
372.89993	0.2
373.13971	2.8
374.14252	3.6
425.30804	0.7
465.28494	0.3
483.35306	10.6
662.34192	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	662.3753
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.2
54.01330	0.6
55.01881	1.5
55.05503	3.2
56.96547	1.1
57.03442	3.2
59.05000	2.5
61.02929	9.2
65.03917	1.0
67.05500	7.7
69.03435	10.4
69.07070	4.2
70.06583	2.8
71.04989	2.3
71.52800	0.8
73.02908	2.3
79.05484	6.2
81.03416	7.2
81.06589	1.1
81.07057	15.8
83.04961	1.1
83.08613	3.2
84.04500	1.0
85.02910	56.3
86.09697	1.1
87.04475	1.7
89.06017	0.8
91.03944	2.9
91.05482	8.4
93.07047	9.9
95.04969	2.1
95.08611	13.8
97.02903	17.7
97.06522	2.8
97.10159	4.9
99.04452	3.8
101.02359	0.9
105.07024	7.7
107.04955	1.4
107.08600	8.5
109.02876	6.1
109.06562	0.7
109.10163	13.0
111.08052	1.5
117.05470	1.7
117.07010	1.7
119.04984	1.4
119.08586	9.1
121.02873	0.9
121.06552	0.8
121.10145	11.0
123.04441	3.2
123.11710	10.1
125.09630	2.1
127.03923	12.2
129.07018	1.4
131.08585	4.5
133.10138	8.3
135.04407	2.1
135.08089	0.8
135.11696	10.7
137.09686	1.1
137.13313	1.0
139.03886	2.4
139.11182	1.1
143.08530	1.1
145.02933	0.9
145.04967	21.2
145.10135	3.1
147.04399	2.0
147.11697	13.3
149.13275	11.0
151.03923	0.9
151.11142	1.0
157.10077	1.6
159.11694	3.9
161.13268	14.7
163.03899	4.6
163.06030	5.9
163.11095	0.8
163.14839	2.8
165.12782	2.1
167.10802	0.7
171.11681	1.1
173.13249	2.9
175.03993	1.1
175.14830	14.9
177.05470	1.9
179.14243	1.0
180.08691	7.5
184.07320	2.7
185.13184	1.5
187.14767	3.9
189.12801	1.0
189.16296	0.9
191.03427	0.6
191.14380	0.9
193.12198	1.6
193.15877	3.8
197.13257	0.6
199.14874	0.7
201.16383	5.5
205.15788	0.8
207.06555	1.1
213.16425	2.5
215.18007	1.9
241.19543	4.7
243.21107	1.6
257.22653	53.7
259.09848	0.8
259.20474	0.7
267.15967	2.3
267.21027	3.9
270.26691	0.8
275.23715	87.4
283.08444	1.1
283.50650	0.7
285.10172	0.9
285.22174	9.5
287.20081	1.5
303.23184	11.4
321.24252	100.0
322.24680	1.9
325.11459	1.5
362.26886	2.9
386.10977	0.9
429.21347	1.3
430.21594	1.0
447.27365	1.2
465.28720	5.0
491.67572	2.3
492.17242	1.0
508.20792	1.2
636.71063	0.9
662.25244	1.5
662.37799	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	660.4893
Annotation	Unknow
Peak:m/z	Relative Intensity
52.94700	1.2
55.01866	2.0
55.05513	6.8
57.03428	2.7
57.07077	39.2
59.05001	21.0
61.39387	1.2
66.29545	1.2
67.05508	14.7
69.03419	1.4
69.07068	6.3
69.78638	6.1
71.04971	1.8
71.08635	67.6
73.06541	4.4
79.05487	7.3
81.03397	3.9
81.07053	8.8
83.04958	3.9
83.08598	4.1
85.02901	1.6
85.10189	39.8
86.09700	1.6
87.04471	16.2
89.06035	100.0
90.22375	1.3
91.05473	6.8
91.07582	1.6
93.07035	8.1
95.08609	3.9
97.02931	1.4
97.06521	3.1
97.10137	2.8
103.07579	6.0
105.07021	5.5
107.04935	3.0
107.08591	4.0
109.10168	7.4
111.08044	1.5
117.09097	2.9
119.08580	4.5
121.10146	2.8
125.09651	1.8
127.14820	5.0
129.07008	1.4
130.08603	2.4
131.07021	6.2
131.08502	1.9
133.08607	75.2
133.10091	2.7
135.08025	1.3
135.11575	1.3
143.08667	1.4
145.10063	1.9
157.10097	2.5
169.10175	1.4
175.09619	4.6
177.11234	30.1
184.07205	2.9
185.19067	6.9
191.10849	1.3
221.13870	7.9
227.12680	1.7
229.14375	5.4
229.21594	5.3
265.16568	1.4
275.20038	3.6
276.20392	2.4
283.17676	2.3
291.04312	1.5
301.16403	2.5
327.20004	1.7
349.23505	2.0
350.16623	1.8
368.18106	2.1
399.23746	1.6
415.25363	1.9
459.27991	12.9
499.31158	2.1
643.45959	3.0
660.40173	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	661.2865
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03918	0.9
53.21204	0.6
55.01867	0.8
55.02447	0.6
55.05510	1.0
56.96561	0.9
57.03426	0.9
59.76028	0.6
61.02916	1.2
65.03929	0.7
67.05511	3.2
69.03414	1.6
69.07056	1.3
70.06576	0.9
71.04996	0.9
71.52801	0.8
72.08152	0.7
73.02919	0.8
79.05485	2.3
81.03402	1.8
81.07053	2.6
83.04981	0.7
83.08599	0.9
85.02918	3.2
86.09729	0.9
91.05482	6.4
93.07044	2.3
95.04948	1.6
95.08607	2.0
97.02895	3.1
97.06507	1.7
99.04471	0.7
105.07030	2.3
107.08593	2.6
108.08103	1.9
109.02902	0.8
109.06539	0.8
109.10148	1.9
109.84193	0.6
111.13367	0.5
116.04974	2.8
117.03374	0.7
117.07097	0.7
118.06551	1.6
119.08604	2.2
120.08115	6.3
120.41093	0.6
121.06500	0.8
121.10100	1.3
122.06031	0.6
123.04407	2.2
123.08069	0.9
127.03925	1.1
129.06961	1.1
131.08557	1.5
133.10130	1.8
134.05989	1.1
134.09700	0.7
135.04401	1.1
136.07603	1.2
137.09625	1.0
138.09064	1.4
139.03871	2.3
145.02829	0.9
146.06013	2.1
147.04414	1.4
147.11690	0.8
148.07509	0.8
148.12137	0.6
149.13286	1.0
151.03876	1.1
152.07066	1.7
159.11810	0.7
163.03900	2.9
164.04500	0.6
164.07082	7.2
166.08626	0.6
168.06635	0.9
173.05971	0.9
175.03825	1.0
177.05482	2.7
184.07344	2.3
187.07274	1.0
189.05515	0.9
193.12158	0.6
194.08115	1.9
197.10794	0.9
198.11369	0.7
203.03264	0.8
209.10725	1.4
210.11400	0.9
211.08704	1.4
211.12297	1.3
221.10802	0.8
223.12346	2.1
225.10194	5.7
225.13759	0.6
226.11131	0.9
227.11763	1.1
237.10228	3.1
238.11058	0.8
239.11784	2.3
240.12529	1.7
241.13455	1.0
243.11365	0.8
249.10213	6.2
250.11057	1.7
251.08018	1.2
251.11826	4.7
252.12669	1.9
253.09709	2.0
253.13368	1.7
255.11281	1.2
255.14941	2.5
257.04428	2.1
257.12793	1.4
261.04022	0.8
262.10968	1.0
265.09717	6.7
265.13617	1.1
267.11386	2.4
268.12103	1.4
269.12869	1.3
271.14352	1.9
273.03961	1.6
277.09592	3.2
278.10519	7.8
279.07709	8.1
279.11310	10.9
280.12155	0.7
283.11154	1.6
283.14401	35.8
283.24203	0.9
284.14835	0.7
285.04196	0.7
285.12302	1.9
287.13965	1.3
293.09253	1.7
293.12842	9.1
295.10812	1.3
296.11530	1.5
297.12457	0.9
301.12445	0.7
301.15411	4.2
303.05060	6.2
303.08429	1.1
306.10110	1.1
307.10666	2.3
311.10291	8.3
311.13788	1.3
313.11880	6.4
323.10309	1.4
324.11099	1.2
325.11862	4.2
327.05109	1.0
327.13248	0.7
333.08777	1.8
339.13412	29.4
340.14185	1.1
341.11322	1.2
343.13275	1.1
351.09729	4.6
352.10519	1.3
353.10681	1.0
353.14996	1.2
355.12839	1.0
356.13806	1.0
358.10104	0.7
361.13904	0.7
366.12119	4.7
367.12839	4.8
369.06216	1.7
369.14270	1.3
373.14038	7.5
384.13162	2.2
393.13361	0.6
398.14764	2.9
399.15536	100.0
400.15527	1.3
457.16278	1.6
458.17236	1.0
488.18912	0.9
489.18991	6.4
490.19647	1.9
506.19455	1.9
538.21857	20.5
539.22589	11.1
540.22797	1.0
583.25616	1.1
593.23529	0.8
597.23456	3.9
611.25024	4.3
629.26172	3.9
643.27850	8.6
661.33215	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.2264
Annotation	Unknow
Peak:m/z	Relative Intensity
53.79251	6.7
67.05479	12.9
69.84025	15.6
69.84445	24.1
72.70121	6.5
73.19439	6.5
79.16889	6.9
81.07041	14.7
89.06014	31.5
93.06989	8.2
95.08573	10.0
101.56394	8.4
121.10065	8.1
133.08594	18.8
145.10159	9.0
148.62401	6.7
161.96039	6.7
177.11176	7.0
183.93201	6.4
254.39165	7.2
317.89218	7.1
578.12061	7.6
659.22498	100.0
659.44318	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	660.1705
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	1.6
56.05025	1.6
56.41565	0.8
60.04530	1.2
67.05516	0.8
69.03469	0.9
70.02585	1.6
70.02956	26.3
71.03829	1.9
71.06139	1.0
72.04517	1.0
74.02440	3.4
76.04008	8.1
78.45269	0.7
80.05004	0.9
82.06593	1.7
83.04990	2.1
83.06107	2.6
84.04508	6.9
85.02908	1.2
85.76644	0.7
88.04004	2.9
89.03938	1.2
98.97603	1.0
99.05584	7.7
103.05105	0.8
107.06095	1.3
109.07649	1.6
110.06044	1.3
111.04439	0.8
112.03967	0.9
116.03485	3.8
117.03402	1.1
117.06589	1.5
121.01122	1.6
123.04427	2.1
124.03975	1.5
125.07114	1.5
126.05569	1.2
127.05062	1.8
129.06630	4.8
130.05005	6.2
135.04430	2.8
135.05495	0.9
136.03951	1.4
137.07126	2.9
139.03922	1.0
145.02917	2.2
145.06088	100.0
147.04495	1.0
149.00577	6.2
153.06627	6.7
155.08162	3.1
156.43062	0.8
160.00648	2.9
163.02330	2.1
163.03905	16.4
164.04309	1.9
165.00082	1.8
167.01613	1.0
169.06033	1.9
171.07773	1.1
173.35310	1.0
179.01637	10.5
181.06146	2.5
183.07713	1.6
187.05392	1.0
189.00092	1.3
189.05634	1.1
191.01675	1.7
192.99619	2.4
193.03285	1.8
193.13126	0.9
194.02747	7.2
195.01120	22.4
195.02832	1.5
199.07121	8.9
203.03523	0.9
207.01122	8.3
208.04292	2.4
211.07130	14.1
219.01166	4.7
236.03806	7.0
237.02292	1.6
256.09225	1.2
257.07687	1.2
264.03271	32.4
274.10333	8.3
281.04388	1.0
297.05478	2.3
322.03848	1.8
333.45963	1.0
336.20142	1.0
339.06467	6.3
347.06958	1.2
353.91034	0.8
393.07455	12.9
405.07629	2.6
409.09265	1.0
423.08612	1.4
428.10373	2.1
433.09341	1.1
468.10809	7.7
531.12756	9.0
585.13788	9.4
660.17053	32.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	657.2917
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07054	1.7
59.04991	1.4
62.89789	0.8
67.05490	1.6
68.84122	1.0
69.04533	1.1
69.93747	3.4
71.08618	1.5
76.01945	0.8
81.07034	1.5
85.10163	1.5
91.05436	1.0
95.08603	1.4
111.56580	0.8
120.08066	1.0
144.08084	1.3
146.09616	1.1
174.09119	1.0
195.89122	0.9
197.10629	1.2
209.10860	1.3
223.12390	0.9
234.11540	1.1
237.13861	1.1
247.12418	2.1
254.83040	1.1
261.13882	1.6
273.13791	1.6
275.15485	1.4
287.15488	1.4
288.16052	1.3
289.16818	0.8
316.14282	1.0
326.16376	1.4
350.16287	1.0
352.17923	1.0
362.16422	1.4
364.17621	1.2
365.17850	1.9
366.19089	1.3
377.17566	3.0
378.18918	2.0
379.19540	4.1
380.20099	1.1
389.17767	1.8
391.19260	3.5
392.20395	1.4
393.16895	2.8
394.17538	1.5
395.18402	2.0
405.20779	3.8
407.18573	3.1
407.22815	1.8
408.19345	2.7
409.20132	3.8
418.18207	1.1
419.18222	2.3
420.19366	1.4
421.19519	4.6
422.20981	4.0
423.21863	15.8
424.22632	2.4
426.21399	1.2
433.20218	1.3
435.22043	5.9
436.22421	2.7
437.23993	4.6
439.20816	0.9
446.20724	1.9
447.21869	1.1
449.23346	3.5
450.24521	1.4
451.21210	3.9
452.22202	1.4
453.23071	1.1
454.20093	4.8
456.23062	1.6
461.23611	5.0
462.21158	1.4
463.21143	2.3
464.22055	2.5
465.23160	5.5
466.23535	1.9
467.24518	3.7
468.25024	2.0
476.21912	1.4
477.22958	5.0
478.23907	1.5
479.25064	5.1
481.22189	2.7
491.20798	1.2
493.21127	5.6
494.25967	3.5
495.23575	11.2
496.24219	3.1
497.24854	1.4
507.23627	3.0
508.24747	14.8
509.25757	12.3
510.26538	9.0
511.27301	11.5
516.24695	1.5
519.23981	1.9
521.25830	5.8
522.25879	2.4
523.23254	3.3
525.28638	1.3
526.29077	2.0
537.25098	14.8
538.25848	8.2
545.38086	1.9
549.25037	1.5
551.22321	2.2
553.28845	6.2
555.25836	2.2
565.24420	2.2
570.28125	3.6
581.27521	20.4
582.27277	1.0
583.25226	5.0
597.27057	40.2
598.27728	6.3
607.25732	1.5
613.30237	75.4
614.29962	2.7
625.26563	100.0
626.26666	2.7
657.29401	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	657.2919
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	1.8
56.20931	1.0
57.07063	4.4
59.04998	3.3
67.05512	2.7
69.92368	4.5
71.08630	4.4
71.47637	1.0
79.05499	2.2
81.07045	4.3
83.08615	1.0
84.17495	0.9
85.10182	4.2
89.06090	1.3
90.81916	1.1
93.07036	1.5
93.21758	1.1
97.06537	1.0
105.07032	1.8
117.09120	1.1
121.10111	1.4
154.47090	1.1
156.08046	1.2
159.32964	1.0
178.10120	1.0
179.14346	1.6
180.97113	1.0
199.20627	1.8
234.11472	1.2
261.13956	1.5
273.13940	1.8
277.21481	1.4
326.16428	1.3
329.60580	1.0
338.16589	1.2
340.18192	1.5
362.16238	1.2
363.16144	1.5
364.18152	1.2
365.17783	2.2
366.18869	1.5
367.19290	1.2
374.15305	1.2
377.17639	2.1
378.18991	2.4
379.19263	3.2
381.20737	1.6
390.18832	1.5
391.19141	4.2
392.20407	2.0
393.21045	3.0
405.20654	3.4
406.21854	1.1
407.18640	4.4
408.19412	3.6
409.20120	4.5
416.16333	1.2
421.19659	6.1
422.20816	3.3
423.21930	16.8
424.22241	1.9
433.20508	1.5
435.22202	6.7
436.22278	3.4
437.23291	3.4
446.21127	1.4
447.21899	1.9
448.19995	1.2
449.23474	3.2
450.23798	1.4
451.20975	5.9
452.22800	1.2
453.23184	1.7
454.19922	4.8
456.23099	1.2
461.23578	7.0
463.21182	4.1
464.21866	2.4
465.23434	5.0
466.21637	1.3
467.24142	3.5
468.25284	2.5
476.22336	1.3
477.23227	5.6
478.23764	2.4
479.25076	7.5
481.22226	3.9
493.21371	7.7
494.26440	4.3
495.23602	10.5
496.24503	3.4
504.23849	1.4
507.23459	2.6
508.24878	11.8
509.25742	10.5
510.26678	10.5
511.27399	11.4
519.24164	1.9
521.24963	3.4
522.25952	2.3
523.23370	4.9
537.25159	14.4
538.26044	6.5
545.38409	5.4
549.25146	1.5
551.22870	2.1
553.28607	6.2
554.25000	1.8
555.25958	2.0
565.24115	4.4
570.28436	3.1
581.27637	16.5
583.25220	4.8
595.29718	1.6
597.27130	43.3
598.27600	3.6
613.30243	64.3
614.30188	1.6
625.26575	100.0
626.26727	3.1
657.28839	7.2
657.40399	1.8
657.52808	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	656.5099
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	6.6
53.42217	2.5
55.01878	5.4
55.05512	23.2
57.03194	2.6
57.03439	19.0
57.07080	60.5
59.29304	2.7
65.03909	3.6
67.05181	4.8
67.05509	69.5
68.13035	2.4
69.03417	3.3
69.07070	72.7
71.05002	23.0
71.08643	44.9
72.08160	2.7
73.02923	5.4
79.05499	62.4
81.03409	10.9
81.07063	73.4
83.04984	12.9
83.08635	22.7
85.06525	4.8
85.10195	23.7
91.05472	39.6
93.07048	38.4
95.04957	12.8
95.08609	57.3
97.05924	5.5
97.06537	100.0
97.10164	9.8
99.08076	7.8
105.04550	3.0
105.07032	29.1
107.04940	8.3
107.08601	24.9
109.06539	16.9
109.10164	22.6
111.08073	3.9
115.05409	3.1
115.07583	52.2
117.07026	17.8
119.08585	17.9
121.06530	4.4
121.10175	15.8
122.67162	2.7
123.08032	4.1
123.11686	8.2
129.06995	7.5
131.08583	22.5
133.06522	5.2
133.10127	18.6
135.08040	8.8
135.11713	7.4
137.09607	3.2
143.08533	7.4
145.10139	11.6
147.08044	4.2
147.11664	4.7
149.09639	4.3
149.13258	9.1
157.10120	9.5
159.07993	2.6
159.11681	11.5
161.09618	8.6
161.13258	3.0
163.11200	4.5
171.11743	7.1
172.07162	3.3
173.13275	3.0
175.11212	6.6
177.12776	4.9
187.11195	2.9
195.11906	2.5
195.13820	6.3
199.14839	3.5
213.14940	2.5
217.15921	12.6
221.15344	3.6
227.17868	4.2
233.15408	5.5
239.23700	5.3
245.19009	6.2
253.14398	8.8
255.17603	3.6
269.17398	13.6
273.18466	41.6
291.19623	20.9
297.17020	3.9
307.19070	4.2
313.27371	99.8
341.26923	9.4
347.22150	9.9
365.23102	7.9
383.31580	4.2
493.38992	3.1
507.40536	62.6
509.38187	3.3
535.39954	7.3
544.40912	3.4
545.42328	4.2
585.44489	6.8
603.46155	17.4
621.46826	7.7
658.75439	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	655.3902
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	0.9
55.01867	1.3
55.05516	7.0
57.03444	5.5
57.07080	38.0
61.02931	9.2
64.12647	1.0
67.05502	14.4
69.03439	1.8
69.07076	9.7
71.05002	1.4
71.08636	30.8
71.52435	1.4
73.02918	3.7
75.04478	2.5
79.05486	4.7
80.26470	0.8
81.03416	2.5
81.07052	17.6
83.08627	12.7
84.04512	2.6
85.02912	10.9
85.10188	17.8
86.09679	1.1
86.22252	0.9
86.27063	1.0
89.06062	1.4
90.84650	1.0
91.03964	8.9
91.05489	3.4
93.07043	4.6
95.04985	2.2
95.08613	23.5
97.02868	5.3
97.10162	6.4
103.07638	1.1
105.06388	0.9
105.07029	3.6
106.07980	1.0
107.04956	2.1
107.08618	2.6
107.80121	1.1
109.02857	1.3
109.06524	1.4
109.10174	12.8
111.11759	1.8
117.07046	1.6
119.08588	2.9
119.79454	1.0
121.10118	1.6
123.11736	3.7
127.03933	3.1
129.06984	1.1
131.08542	1.5
133.10103	2.0
137.13286	2.2
143.08575	1.0
145.04933	3.6
145.10149	3.1
147.08095	1.3
150.69255	1.2
151.14832	1.3
158.82904	1.0
159.11694	1.1
161.09592	1.0
163.06038	6.2
239.23689	26.1
241.08040	1.1
257.24670	4.6
273.18527	1.3
291.19653	1.9
313.27374	100.0
331.28430	18.0
356.72278	1.1
475.32538	3.3
637.39795	1.8
655.40869	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	655.3903
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	0.4
55.01867	0.5
55.05514	5.0
57.03439	3.7
57.07079	40.5
58.07399	0.4
61.02928	12.2
67.05510	13.0
69.03408	1.6
69.06734	0.6
69.07074	7.2
71.04993	1.0
71.08634	33.3
71.52728	0.5
73.02924	5.4
75.04463	1.7
78.80643	0.4
79.05488	2.7
81.03397	1.1
81.07059	16.1
83.04988	0.6
83.08151	0.7
83.08620	12.8
85.02908	15.3
85.06535	0.7
85.10182	18.6
85.90148	0.5
89.06020	1.5
91.03959	13.8
91.05470	1.8
93.07056	1.9
95.04977	1.1
95.08610	26.6
97.02894	6.9
97.06520	0.7
97.10165	6.6
99.04449	1.0
99.11729	1.1
103.03928	0.5
103.07599	0.7
105.07011	1.8
107.04951	1.0
107.08580	1.5
109.02854	0.6
109.06502	0.7
109.10159	10.6
111.11720	1.3
115.03922	1.0
117.07040	0.6
119.08553	1.5
121.06563	0.5
121.10140	0.6
123.11710	6.3
125.13242	0.9
127.03923	4.5
131.08524	1.0
133.10118	0.9
135.08076	0.5
135.11682	0.6
137.13213	1.5
145.04962	6.5
145.10162	0.6
147.11754	0.4
149.09534	0.4
151.14722	0.9
159.11734	0.5
161.13329	0.5
163.06030	11.2
163.11221	0.4
165.16388	0.5
173.06027	0.4
221.22668	1.0
233.15529	0.5
239.23708	27.8
257.24799	4.1
257.27197	0.7
262.97690	0.4
273.18503	0.5
275.20084	1.1
289.17926	1.1
291.19522	0.5
293.21005	0.4
313.27368	100.0
314.27728	1.0
331.28430	20.8
347.80176	0.4
379.34665	0.4
407.22070	0.6
419.18585	0.6
433.20227	1.4
435.21741	0.6
521.25256	1.2
549.24707	1.4
577.24603	1.0
595.25726	0.6
609.26862	0.6
637.26385	0.8
637.40222	0.6
655.27612	12.0
655.38477	0.6
656.27533	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.3686
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	10.0
55.01865	8.5
55.05513	35.5
56.41611	2.3
57.03448	17.1
59.04999	2.9
59.82703	2.3
61.02923	2.7
65.03927	4.4
67.05505	77.6
68.55996	2.2
69.03432	19.6
69.07075	21.3
71.04995	19.9
71.53033	2.8
73.02920	3.9
79.05071	4.4
79.05495	61.0
81.03419	61.9
81.06586	4.2
81.07059	65.6
83.04988	28.3
83.08617	18.4
83.88853	2.9
85.02897	13.8
85.06534	5.3
91.03963	2.6
91.05484	62.1
93.07046	57.5
95.04971	24.7
95.08601	29.4
96.04512	17.6
97.02904	16.7
97.06525	15.2
97.10188	15.3
98.97582	2.9
99.04457	5.4
99.08117	2.8
105.07030	42.1
107.04943	11.5
107.08614	26.7
109.02895	7.7
109.06495	10.5
109.10146	25.8
111.04412	8.2
111.08070	5.4
115.05408	5.8
116.06310	2.6
117.07009	18.3
119.08598	32.6
121.06522	8.9
121.10133	15.1
123.04449	4.1
123.08109	4.6
123.11665	3.3
123.20629	2.9
125.09637	14.6
127.03923	11.5
128.06206	4.4
129.05467	6.3
129.07014	18.6
131.04832	3.0
131.08554	26.7
133.06490	5.7
133.10146	23.8
135.04440	3.7
135.08023	6.9
135.11697	8.5
136.07564	5.8
137.05939	3.0
137.09602	5.2
141.06999	4.4
143.08525	13.2
145.06502	8.4
145.10135	18.1
147.08057	9.0
147.11700	20.7
147.23665	2.7
149.09659	6.1
151.11237	4.4
155.08569	8.4
157.10103	8.6
159.08015	4.2
159.11668	5.4
161.05991	4.2
161.09642	4.7
161.13278	4.6
162.02196	5.5
163.03952	3.1
163.11145	8.2
169.10136	3.3
171.11691	10.0
173.04474	21.3
173.09523	3.7
173.11816	4.1
173.13303	4.0
175.05957	3.1
175.11197	6.5
177.12747	3.6
183.11732	4.1
185.09639	2.8
187.11252	3.2
189.11211	4.5
189.12767	5.6
193.09987	2.7
193.12222	9.5
197.13268	3.5
199.11252	3.3
199.14839	4.1
207.13783	5.2
209.11633	3.6
211.13255	6.3
213.12749	3.2
217.15887	7.3
221.13277	4.0
225.14821	4.1
227.12796	13.6
249.14825	3.1
267.15881	9.8
269.17328	2.6
281.17477	21.7
289.14374	4.0
323.23749	3.7
333.22031	3.3
341.24826	4.9
351.23093	9.3
369.24246	14.1
387.25217	9.2
435.27438	31.3
437.28870	8.5
443.27890	30.1
449.28741	3.2
458.26129	3.6
461.29031	100.0
462.29291	3.1
463.39944	2.7
475.30313	8.1
476.27765	5.7
488.82593	3.9
493.32053	27.8
558.75732	3.4
569.31140	3.4
605.33002	12.0
611.20245	4.9
637.35797	15.9
655.33594	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	655.3125
Annotation	Unknow
Peak:m/z	Relative Intensity
50.32206	0.3
55.05502	0.4
57.07083	0.3
67.05486	1.0
69.07068	0.3
69.67037	0.3
70.18258	0.7
70.18620	0.6
75.04463	0.3
75.91596	0.3
79.05499	0.7
81.03411	0.3
81.07047	1.0
84.18587	0.2
91.05486	0.9
93.07040	0.9
95.04958	0.5
95.08593	0.8
98.72427	0.3
105.07050	0.5
107.08624	0.4
109.10156	0.4
117.07017	0.4
119.08566	0.8
121.10152	0.5
131.08549	0.7
133.10129	0.4
151.11140	0.6
175.11168	0.4
200.27232	0.3
273.18555	0.4
274.44229	0.3
291.19650	0.6
377.17792	0.6
377.60837	0.3
391.19229	1.0
392.20169	0.4
393.20755	0.3
405.17123	1.2
405.21246	0.8
406.17230	0.3
406.21869	0.5
407.22385	4.1
418.17456	0.4
419.18063	2.4
420.18771	1.4
421.20273	1.0
432.19641	0.5
433.20624	4.7
434.21115	4.1
435.21808	7.7
436.22623	0.6
447.17950	1.5
447.22238	1.5
448.18448	0.6
448.23434	0.5
449.19897	1.1
458.98807	0.3
460.22131	0.4
461.19321	1.1
461.23972	1.0
462.20334	4.4
462.25488	0.3
463.21225	4.2
475.21127	1.1
476.22162	1.2
477.22952	1.3
478.23819	0.4
479.21164	1.2
489.23181	1.0
493.22290	1.1
494.23026	0.4
495.23660	0.9
506.23169	0.5
507.19986	0.9
507.24200	1.0
508.24496	1.9
509.25586	1.7
517.22174	0.5
521.25635	10.7
535.27014	0.9
549.24982	17.0
550.25409	0.5
553.24896	1.0
563.26636	3.1
564.27271	0.7
565.27161	0.4
577.24103	0.5
580.25665	0.4
581.27570	3.0
595.29321	10.8
607.29114	0.5
609.27026	11.9
610.27386	0.5
623.28516	1.2
627.31445	0.5
655.31213	100.0
656.31287	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.2964
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02390	0.3
53.03946	0.7
55.01874	0.4
55.05508	1.9
55.10835	0.2
56.96571	0.3
57.03424	0.4
57.07069	0.6
59.04991	0.6
61.02918	0.3
65.03946	0.3
67.05508	4.6
69.03433	2.0
69.07062	3.0
70.53504	0.5
70.53837	0.6
71.04985	1.0
72.08146	0.5
79.05496	2.3
81.03409	1.4
81.07062	4.5
83.04985	2.2
83.08633	1.8
85.02909	1.2
85.06557	0.6
85.10809	0.3
91.05464	1.5
93.07050	3.2
95.04437	0.3
95.04967	1.3
95.08610	6.8
95.09178	0.5
97.02894	100.0
97.06525	0.9
97.10167	0.6
98.03203	0.4
99.08105	1.0
103.05430	0.4
105.07045	1.9
107.04965	0.8
107.08595	5.1
108.02129	0.3
109.02877	0.8
109.06506	2.2
109.10162	20.5
110.10480	0.3
111.04420	0.5
111.08099	0.6
111.11702	0.3
113.09627	0.6
117.07013	0.5
119.04964	0.3
119.08582	8.8
121.06474	0.5
121.10144	3.2
123.04463	0.9
123.08089	2.0
123.11710	1.7
125.09621	0.4
127.03943	0.7
131.04919	0.4
131.08578	0.7
133.06534	0.5
133.10123	4.6
135.04442	0.8
135.11696	20.1
137.05963	0.6
137.09631	3.5
139.03891	0.5
139.11220	0.6
141.05458	0.3
145.10115	0.4
147.04385	0.6
147.11679	0.7
149.09669	0.5
149.13309	1.7
151.03911	26.9
151.04988	1.7
151.11174	2.1
151.14845	2.0
153.12759	0.8
161.06012	0.3
161.09613	0.3
163.03899	4.3
163.11172	0.3
165.09180	0.3
165.16458	0.7
166.02676	0.3
168.07439	0.3
175.07660	0.4
175.14841	9.3
177.05511	1.0
181.04965	9.2
181.12233	0.3
187.11182	0.2
189.05472	0.3
191.07104	0.7
193.15883	14.9
201.05453	0.3
207.06557	0.4
209.11761	0.3
211.16940	24.5
212.17361	0.4
215.07207	0.3
218.66353	0.3
219.06557	2.6
229.05046	0.6
247.06035	21.6
259.09772	0.4
265.07083	16.9
267.16034	0.3
273.77469	0.3
283.08145	4.4
283.15350	0.4
319.15341	0.4
331.20987	0.4
373.22241	0.5
475.26941	0.8
637.31799	0.5
655.29138	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.2964
Annotation	Unknow
Peak:m/z	Relative Intensity
52.17488	1.1
55.01871	2.2
55.05505	3.5
57.03441	10.0
59.04996	1.4
61.02918	1.1
65.03951	1.1
67.05504	6.2
69.03413	5.6
69.07083	1.7
70.06581	2.1
70.10531	1.1
71.04996	47.9
71.52403	1.6
73.02911	3.5
75.04477	5.3
79.05492	3.5
81.03397	3.3
81.07069	10.5
83.04997	8.8
85.02908	80.8
87.04421	1.8
91.05481	9.6
93.07052	7.4
95.04959	4.7
95.08611	7.4
97.02895	5.6
97.06543	1.7
98.96555	1.2
99.00805	1.2
99.04448	2.6
101.06033	2.0
105.07030	11.4
107.08592	9.3
109.06551	2.9
109.10182	8.0
111.04441	8.1
117.07030	6.2
119.04957	2.6
119.08575	10.4
121.06504	2.3
121.10171	3.3
123.04424	1.4
123.11724	2.2
125.06059	1.5
127.03931	3.1
129.05493	21.7
129.07005	5.0
131.04964	2.2
131.07565	1.6
131.08556	11.8
133.06487	1.4
133.10123	4.4
135.04388	1.6
135.08072	1.5
135.11684	1.4
139.03940	2.0
141.07022	3.8
143.08572	6.0
143.43112	1.1
145.04948	2.5
145.06458	2.8
145.10139	8.9
147.06534	10.6
147.08022	1.7
147.11665	3.2
149.05991	2.3
155.08571	9.7
157.06453	1.5
157.10150	5.3
159.08067	3.9
159.11720	4.0
161.05943	2.3
163.03915	4.3
163.07536	4.0
165.09064	1.8
167.08531	1.9
168.09224	1.3
169.10144	4.9
171.08098	1.9
171.11705	1.2
173.06064	1.4
173.09650	2.0
175.07561	3.2
177.05458	2.4
177.09102	10.4
181.10132	6.0
183.11700	7.0
185.09714	2.1
185.13316	2.0
189.09068	2.8
191.10690	3.6
193.10222	2.5
195.11705	4.1
197.09535	1.5
197.13290	5.3
199.14880	1.3
201.09062	1.6
203.10619	1.7
207.11696	1.9
209.09534	1.9
209.13257	6.9
211.11194	4.1
211.14789	6.2
215.10669	2.0
219.11752	1.4
221.13249	2.3
223.14851	1.9
225.12617	1.4
225.16441	1.5
227.10675	3.3
229.12251	3.7
237.12720	4.5
237.16345	2.6
239.14311	4.8
239.18016	8.7
255.13821	3.7
265.15991	3.5
267.15137	0.8
267.17453	46.1
283.16928	15.0
285.18503	100.0
297.18530	1.7
301.18018	7.5
303.19519	4.8
309.11835	3.2
309.18619	1.9
311.16321	3.2
329.17484	73.7
330.17648	1.4
347.18533	52.9
349.21582	1.5
357.16956	2.0
359.18878	1.3
367.22449	1.4
371.18402	1.9
377.21069	2.3
383.18857	1.3
389.19748	1.5
393.20544	2.8
395.22281	5.0
411.21695	2.9
413.23187	5.3
429.22644	2.1
439.21252	7.6
457.22104	6.0
473.85910	1.4
475.23322	6.9
493.24603	6.3
655.31580	7.2
677.29199	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.3529
Annotation	Withanoside III
Peak:m/z	Relative Intensity
51.92180	0.9
53.03952	4.7
55.01859	2.5
55.05518	13.3
57.03437	8.2
58.01172	0.9
59.04996	1.2
60.56694	1.1
61.02920	2.2
65.03928	2.3
65.43530	1.0
67.05508	36.1
68.14636	0.9
69.03424	2.7
69.07068	6.8
69.91258	0.9
71.04983	3.7
71.52253	1.1
79.05496	40.9
81.03419	52.0
81.07057	27.7
82.07388	1.0
83.04987	8.9
83.08629	9.7
84.99523	0.9
85.02885	3.1
85.06539	2.4
86.16945	0.8
91.05481	35.8
93.07048	33.5
93.15995	0.9
95.04976	23.6
95.08606	14.8
97.01213	1.0
97.02898	4.2
97.06553	3.1
97.10174	4.2
99.04443	1.1
103.05450	1.0
105.04547	0.9
105.07037	23.0
107.04964	7.1
107.08590	11.4
109.02889	1.6
109.06524	4.4
109.10172	7.6
111.04430	1.3
111.08100	3.9
115.05455	2.3
117.07027	6.7
119.04974	0.9
119.08579	17.8
121.06498	4.0
121.10131	4.0
123.04456	2.1
123.08081	2.3
123.11691	2.6
125.09600	2.1
127.03951	1.5
128.06189	1.7
129.07027	14.0
131.08557	8.6
133.06491	2.2
133.10133	9.3
135.08054	1.3
135.11710	2.7
137.06018	1.3
137.09595	2.2
143.08569	4.5
145.10138	7.2
147.08060	3.3
147.11700	16.9
149.09613	2.5
151.11209	1.3
157.10123	5.8
161.09662	2.3
161.13290	5.6
163.11195	3.1
165.12825	1.4
171.11700	10.2
173.04550	1.2
173.09706	1.0
173.11728	1.2
175.11217	4.2
184.07220	1.3
187.13274	1.2
189.12779	4.0
193.12216	10.4
207.13805	12.1
211.13219	1.7
227.12842	2.7
229.14340	3.4
241.58095	1.0
249.14857	2.7
267.15936	38.2
281.17477	34.5
305.17493	2.7
309.17078	1.1
352.09262	0.9
363.23199	1.3
378.38000	1.1
381.24246	1.4
397.25922	1.3
398.25998	1.9
421.25958	1.9
424.27734	1.9
440.39154	0.9
445.29379	1.0
456.30203	3.9
473.29010	100.0
491.29846	1.2
515.29840	3.7
581.31317	1.2
631.63171	1.0
653.34186	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	653.2822
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	3.8
57.07077	35.1
59.04986	1.1
65.03614	0.8
65.03941	11.4
67.05508	1.1
69.07070	1.7
71.05022	0.6
71.08623	2.6
71.52788	0.9
79.05495	0.8
81.03429	0.9
81.07064	1.4
83.04983	13.1
83.08616	0.7
85.10180	1.1
87.08074	0.6
89.06020	0.7
91.05479	9.1
93.07047	0.7
93.09548	0.5
94.42738	0.5
94.75267	0.5
95.04958	0.6
97.01134	1.4
97.10146	1.0
98.98473	1.6
99.02681	100.0
105.07030	5.1
107.08601	1.1
115.05453	1.8
117.07013	3.0
119.08585	5.4
120.61562	0.5
129.07048	1.6
130.07838	0.6
131.08582	1.0
132.09364	3.0
133.10143	2.5
135.11742	0.9
141.06998	4.3
142.07799	3.7
145.10103	1.0
147.08018	0.7
147.11688	29.6
157.06471	0.7
159.08084	1.4
159.11852	0.6
161.13235	1.6
166.99283	1.7
169.07561	1.2
173.04236	1.5
175.01552	10.0
175.05838	1.3
178.99294	2.3
187.01572	1.0
197.00304	7.6
219.00352	0.5
221.03470	0.8
227.04759	0.9
237.01445	0.6
239.04573	3.3
243.02562	0.7
243.07817	0.8
254.98293	0.8
255.02353	2.7
264.42386	0.5
273.03436	11.6
274.91312	0.5
276.96976	0.6
311.08804	1.1
329.09726	17.8
353.00082	15.4
385.15927	4.0
409.06299	10.1
429.03333	1.1
485.09537	6.5
541.15723	26.8
591.02289	0.6
597.22009	73.6
598.21906	1.5
653.28259	89.6
654.28705	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.2972
Annotation	Haplophytine
Peak:m/z	Relative Intensity
71.08639	1.9
98.21526	4.0
104.55335	1.5
135.08188	1.6
220.98833	2.1
229.23421	2.4
403.19424	2.0
404.20041	5.1
405.20819	12.0
417.21100	3.0
418.21448	3.4
419.22394	8.5
432.23715	2.3
433.23965	6.0
434.24799	4.1
447.21631	4.7
449.19537	8.8
450.20609	2.3
463.21259	5.0
464.22079	3.9
475.21555	2.6
478.23755	3.9
479.24536	28.7
480.25040	2.8
487.21320	5.7
491.24423	3.3
492.25183	3.5
501.22879	3.1
502.23682	3.3
507.27664	18.4
519.23639	2.3
533.25696	4.2
537.25580	10.8
551.26587	30.0
561.25336	5.2
565.28070	16.5
566.28912	63.3
575.26855	3.5
593.27655	9.2
621.27014	12.6
635.28528	6.9
653.29767	100.0
654.30292	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	652.1544
Annotation	Unknow
Peak:m/z	Relative Intensity
52.01920	0.6
53.03944	1.6
55.01880	2.0
55.05519	3.4
57.03439	2.0
59.01368	0.8
59.04995	0.7
61.02932	1.6
65.03941	1.3
66.04720	0.5
67.05506	13.9
69.03426	3.8
69.07068	1.0
69.21786	4.1
71.01363	0.7
71.04992	1.2
73.02924	1.2
76.48685	0.4
77.03960	0.5
78.04719	0.4
79.05502	3.8
80.04990	0.6
81.03421	7.4
81.07056	4.8
83.04972	2.0
83.08632	1.3
85.02905	6.7
85.06538	0.7
85.89249	0.4
87.00821	2.2
91.05483	5.4
92.05010	0.5
93.07043	2.5
95.04961	1.9
95.08615	2.0
95.63853	0.5
96.54066	0.4
97.02890	4.0
97.06516	0.9
97.10168	1.1
99.04459	1.6
104.04993	9.0
105.01858	1.2
105.04647	0.8
105.05781	16.2
105.06963	0.9
106.06556	3.9
107.04952	2.8
107.07366	1.2
107.08597	3.2
108.04450	0.6
109.02880	3.2
109.06539	1.1
109.10159	11.7
111.04440	1.0
111.08095	0.6
114.89391	0.5
117.05756	0.8
117.07005	0.8
117.68934	0.5
118.06551	4.9
119.03693	8.0
119.07307	0.5
119.08578	2.2
120.04469	9.8
120.61087	0.5
121.06531	2.9
121.10127	1.3
123.06846	2.4
123.08086	0.8
125.09693	0.6
127.03913	3.5
129.06981	0.5
130.02046	0.4
130.02856	2.6
132.04456	40.1
133.05235	31.4
133.10139	0.5
134.02394	1.3
134.06021	12.0
135.06879	0.7
135.11696	1.6
137.09605	0.6
139.03926	1.0
144.04410	2.1
145.04976	1.6
145.06416	0.5
145.10136	1.8
147.05499	1.0
147.08090	0.8
148.03951	1.0
149.04732	40.4
153.12740	1.8
155.10678	0.7
159.02930	1.5
162.05507	31.3
163.06290	95.9
163.11151	3.7
164.07074	67.4
165.07382	0.8
166.00499	0.5
166.08656	1.4
168.02086	0.5
173.09666	0.5
173.10339	0.5
173.11736	3.8
176.07011	0.6
179.05760	1.4
179.08203	2.5
181.12192	1.3
191.10672	1.7
194.00069	1.5
194.08130	100.0
195.08351	0.9
199.13255	0.8
202.04872	0.6
209.01123	0.7
209.11708	1.6
212.01299	0.5
224.22084	0.4
225.33963	0.4
227.12779	2.4
229.14355	9.0
231.05025	0.6
265.14444	1.2
267.03296	0.5
269.04666	0.9
283.15344	4.0
312.05252	1.4
340.04688	1.0
358.82068	0.5
372.07413	2.9
373.08136	0.7
383.24008	1.6
400.58658	0.4
404.10107	21.8
437.25122	2.0
455.26318	1.1
459.22128	0.7
460.22284	0.6
632.34326	0.6
674.24146	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	652.1542
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	0.9
55.05518	1.0
55.50822	0.6
57.03433	0.8
59.01392	0.6
65.03958	0.8
67.05513	4.2
69.03442	0.8
69.07066	1.0
70.06582	0.6
71.04999	0.7
71.10500	0.6
71.52994	0.7
75.04475	0.8
79.05489	2.2
79.48211	0.6
79.82737	0.5
80.05049	0.6
81.03415	1.9
81.07060	2.4
83.04986	0.7
83.08627	0.8
85.02908	1.4
91.05495	5.1
93.07058	2.2
93.92307	0.6
93.92965	0.5
95.04987	1.1
95.08618	1.6
97.02895	1.8
101.24181	0.7
103.05605	0.7
104.04989	6.3
105.05778	12.1
105.06963	1.2
106.06585	3.5
107.07317	1.3
107.08618	1.2
109.06526	1.5
109.10164	2.7
118.06536	4.3
119.03690	6.7
119.08562	1.3
120.04459	7.9
121.06506	1.6
121.10129	1.0
123.04504	0.7
123.06824	2.2
127.03918	0.9
130.02901	0.9
131.06058	0.7
132.04462	16.8
132.83678	0.7
133.05238	28.7
133.10178	0.7
134.02348	0.8
134.06036	9.4
139.00639	0.9
144.04495	0.9
145.10152	0.6
147.04370	1.0
147.11758	0.8
148.03940	1.0
149.04727	32.0
162.05502	16.1
163.06293	92.4
164.07074	39.8
166.08620	1.0
171.11661	0.6
179.05780	1.3
194.08133	100.0
200.47455	0.7
229.14307	2.1
253.60938	0.6
312.05237	1.8
368.33905	0.7
372.07495	0.8
397.25858	0.8
404.10089	14.0
460.21875	0.8
539.10291	0.7
652.34729	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	652.154
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01627	0.6
51.02373	0.6
53.03953	1.3
55.01883	0.8
55.05515	1.3
56.05055	0.5
56.96589	0.6
57.03447	1.1
59.01381	0.5
59.05006	0.5
61.02925	1.2
65.03933	0.6
67.05505	8.0
69.03430	1.3
69.07073	1.0
70.90945	0.9
70.91279	0.8
71.04974	1.1
72.08167	1.9
72.92680	0.5
75.04507	0.9
77.03945	0.7
78.04711	0.8
79.05499	2.8
81.03408	2.9
81.07059	3.4
83.04994	0.5
83.08605	1.0
85.02913	3.1
87.00819	0.8
87.04465	0.5
91.05490	5.5
92.02631	0.7
92.19963	0.5
93.07047	2.1
95.04967	1.8
95.08620	0.9
97.02889	1.8
104.04993	11.6
105.05779	19.5
105.06961	1.0
105.70195	0.6
106.06559	4.7
107.04945	0.7
107.07328	1.7
107.08604	1.6
109.02898	1.7
109.06529	1.2
109.10166	4.7
111.04443	0.7
116.05043	0.6
118.06577	5.1
119.03688	10.2
119.08614	1.4
120.04466	10.8
121.06506	3.0
121.07523	0.4
121.10159	0.9
123.06799	3.0
127.03925	2.2
129.07053	0.8
130.02884	1.5
131.06001	0.5
131.08572	1.0
132.04459	44.5
133.05241	36.7
133.10173	0.7
134.02373	1.7
134.06027	10.7
135.04442	0.5
135.06822	0.7
135.11690	0.8
136.07533	0.5
137.06041	0.7
138.01039	2.5
139.01790	0.5
145.10117	0.9
146.06046	0.7
148.03929	1.9
149.04733	38.5
151.06300	0.6
159.02866	0.5
162.05511	21.0
163.06293	100.0
164.07077	67.1
166.08618	1.3
173.11758	1.6
179.05760	1.5
184.07355	0.8
194.08136	78.2
199.11053	0.5
202.05087	0.6
211.21907	0.6
227.12721	0.7
229.14403	3.7
250.75491	0.6
283.15512	0.7
285.09271	0.6
296.05936	1.1
312.05380	1.0
323.65839	0.6
327.04980	0.5
344.08008	1.0
372.07321	2.9
381.93015	0.5
397.25916	1.2
404.10117	6.4
423.26999	0.6
437.24841	1.1
455.30283	0.8
652.34467	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	651.3892
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	0.9
53.45952	0.8
55.05507	3.7
61.02916	0.9
65.03938	2.2
67.05210	0.7
67.05511	6.9
69.03406	1.0
69.07057	2.3
69.42504	4.9
71.04974	1.1
71.75646	0.7
79.05508	5.9
81.03409	2.5
81.07055	10.6
83.08649	1.9
85.02905	1.2
91.05482	20.0
93.07047	7.8
95.04970	1.9
95.08609	11.0
98.20793	1.4
99.08100	1.6
105.04535	0.7
105.07032	10.5
107.08599	11.6
109.06563	1.1
109.10154	5.9
111.04452	0.8
117.07014	2.0
119.04953	30.7
119.08588	15.1
121.10140	5.3
123.04437	1.1
123.08057	1.6
123.11699	1.3
125.09610	1.0
129.07002	2.1
130.47481	0.8
131.08591	9.5
133.10118	7.0
135.11687	4.2
135.59465	0.8
143.08556	4.0
145.10130	10.7
147.04413	100.0
147.11676	7.2
148.04765	0.9
149.13258	6.7
155.08527	1.6
156.09372	0.8
157.10124	5.1
159.11702	6.7
161.13226	4.9
163.03949	2.4
163.07512	0.9
163.14806	1.8
165.05498	10.0
169.10146	2.5
171.11707	4.7
173.05942	0.9
173.13292	5.7
175.14857	4.4
177.16411	0.9
181.10182	0.9
183.11691	2.2
184.07419	1.0
185.13280	6.4
186.69788	0.7
187.14795	8.8
189.16382	4.0
191.14291	1.0
195.11769	1.2
197.13261	2.5
199.14824	5.5
201.16371	9.5
203.14304	2.1
203.18019	1.7
205.15921	1.6
211.14818	1.7
213.16406	4.1
217.15955	1.3
219.17453	1.2
221.15407	2.0
223.14804	1.0
225.16425	2.4
227.17860	1.3
231.17386	1.5
233.15170	0.9
233.18983	0.8
237.16383	2.4
239.17805	1.6
241.19609	0.9
245.15443	1.7
247.16971	1.5
249.14854	2.0
259.17047	1.2
265.19525	1.1
275.20285	0.9
279.21176	1.0
281.22525	1.2
296.60498	0.9
325.21695	0.9
367.29977	1.1
387.30426	3.2
389.32056	0.9
395.29596	1.3
405.31561	8.5
413.30713	1.6
421.31000	1.1
423.32709	4.5
433.31125	7.9
451.32193	7.7
469.33203	2.2
633.37854	6.4
651.36926	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	650.4389
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05520	0.1
56.05029	0.6
57.07056	0.2
58.06631	0.5
60.08164	5.9
62.09686	0.1
67.05495	0.6
71.07376	3.2
71.08618	0.2
81.07059	0.1
83.09466	0.1
86.09704	29.9
87.10062	0.1
95.08634	0.2
98.98471	2.8
104.10740	2.1
109.10145	0.4
125.00004	20.0
184.07336	100.0
185.07664	0.2
394.20074	0.2
650.43890	9.6
651.44269	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	651.2813
Annotation	Petasiphyll A
Peak:m/z	Relative Intensity
55.05513	1.6
57.03433	1.2
57.07065	4.1
67.05503	5.6
69.07085	1.7
71.08637	3.0
71.52303	1.1
71.52788	1.6
73.15434	1.4
73.54019	1.4
76.26158	1.2
79.05502	2.0
81.07064	3.4
83.08625	1.6
85.10208	2.0
91.05490	3.7
93.07046	2.1
95.08607	12.3
96.08956	2.2
105.06992	1.5
109.10097	1.7
109.15977	1.2
109.71986	1.2
116.94656	1.3
119.08627	1.7
145.10100	1.7
184.07303	4.1
184.74614	1.3
189.27827	1.2
215.12785	7.9
215.50844	1.3
216.13226	1.8
296.11655	1.3
299.44354	1.5
313.27383	5.3
314.27805	3.9
391.19272	2.2
400.16943	2.9
401.17706	3.3
407.22110	2.1
413.17639	2.2
414.18445	4.8
415.19754	6.3
428.19949	3.6
429.21191	7.5
430.21887	1.6
441.16745	1.7
443.17963	4.1
443.22519	5.0
444.19373	5.0
445.20337	3.1
453.35721	1.9
454.35825	3.4
457.20081	4.3
458.21002	3.7
459.17758	2.1
471.22308	8.3
472.22415	5.7
473.19666	5.9
474.20779	1.7
485.19626	3.9
486.20267	6.1
487.21225	2.1
488.22281	2.1
490.20026	2.5
499.21213	11.1
500.22006	4.6
503.24615	6.6
517.22400	6.2
528.21350	1.7
531.23846	14.6
543.23816	2.3
549.24878	7.7
559.23407	83.8
587.22662	14.6
591.25702	2.3
619.25580	100.0
620.25885	2.4
625.83362	1.5
651.18127	1.8
651.28174	21.3
651.44763	1.9
651.54437	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	649.3934
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	2.2
55.01851	1.5
55.05511	8.1
57.03434	4.4
57.07075	1.6
61.02924	2.1
62.22332	1.0
65.03933	1.6
67.05508	23.4
69.03432	5.9
69.07069	5.1
69.16212	13.6
71.04986	2.1
71.32378	1.1
79.05492	10.2
81.03417	10.6
81.07064	12.0
83.04998	3.3
83.08617	4.6
85.02908	2.7
85.06539	1.3
91.03980	1.4
91.05479	12.8
93.07050	12.6
95.04984	2.9
95.08607	8.5
97.02894	4.8
97.06541	2.1
97.10166	3.8
99.04449	2.3
105.07024	10.3
107.08606	8.7
109.02873	2.4
109.06532	2.5
109.10155	13.2
111.08091	1.5
117.07027	3.9
119.08611	9.7
121.06512	1.3
121.10172	2.9
123.06874	1.5
123.08086	1.8
125.09647	2.4
127.03940	3.1
128.06206	1.2
129.07034	3.6
131.08606	8.6
133.10130	6.5
135.11694	3.1
137.09578	1.6
141.06956	1.5
143.08572	5.5
145.10132	7.8
147.11684	5.8
149.09654	1.8
149.13280	2.4
155.00952	1.2
155.08595	2.9
157.10136	3.2
159.08012	1.4
159.11708	5.9
161.09619	1.7
161.13266	2.6
167.08583	1.4
169.10141	2.3
171.11722	5.1
173.11761	4.1
173.13243	2.8
181.10178	3.1
183.11748	2.3
185.13280	3.0
189.11252	3.1
193.10178	1.7
195.11655	2.1
197.13310	1.4
199.14799	1.4
227.12761	2.2
229.14410	3.1
241.19618	1.4
244.12819	1.2
245.13931	1.9
259.20621	3.4
271.20609	1.8
283.15100	6.7
333.20468	2.2
333.24295	2.3
335.25937	1.3
339.17807	3.4
364.51715	1.4
367.22873	1.4
389.23264	2.3
441.26276	1.5
487.34427	15.3
529.35596	1.8
559.32526	3.5
595.36652	3.5
613.37195	3.5
631.38226	7.5
649.26556	10.6
649.39233	100.0
650.39935	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	649.3587
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	16.7
55.01864	8.8
55.05507	28.9
56.96548	6.4
57.03429	13.3
57.07081	4.2
61.02924	6.5
61.98898	4.0
65.03932	7.3
65.73086	3.3
67.05506	78.7
69.03430	20.1
69.07079	18.8
71.04984	10.8
71.27644	3.6
71.52268	7.1
73.02929	3.8
79.05494	100.0
81.03419	49.9
81.07055	66.5
83.04987	24.7
83.08616	15.0
85.02911	19.8
85.06554	7.5
91.05481	95.8
93.06489	6.4
93.07045	99.0
95.04977	41.1
95.08604	40.9
97.02888	15.2
97.06528	12.3
97.10188	9.1
99.04434	8.9
99.08066	4.9
103.05450	5.1
105.07032	71.9
107.04989	20.9
107.08621	28.0
109.02880	8.3
109.06514	7.6
109.10163	18.7
111.08028	3.7
112.70756	3.5
115.05428	4.6
117.07018	28.2
119.08578	44.2
121.06522	9.2
121.10126	15.0
123.08067	12.6
127.03900	9.1
128.06212	9.1
129.07008	41.6
131.04982	3.6
131.08559	23.0
133.06491	9.0
133.10133	17.1
135.08037	7.4
135.11668	6.9
141.06976	10.0
143.08554	24.3
145.06473	6.9
145.10130	20.8
147.07986	4.8
147.11662	38.5
156.09271	4.3
157.06551	5.9
157.10106	11.6
159.08073	9.4
159.11679	6.9
161.09660	5.8
161.13274	17.7
163.03908	7.8
163.11160	7.1
167.08556	7.8
169.06517	4.6
169.10155	6.8
171.08080	10.6
171.11726	34.2
173.04436	15.2
173.09671	4.4
173.13255	4.4
175.11243	3.5
184.07224	3.5
185.09540	5.7
189.11188	6.5
189.12750	18.9
197.13086	4.6
201.12593	5.3
207.13776	42.2
209.13364	4.8
221.15402	7.1
225.14925	7.2
231.13739	5.8
241.16016	9.2
247.08578	5.0
251.14349	6.2
254.72014	3.9
255.09164	4.3
269.15356	12.2
281.17474	81.1
287.16241	18.5
291.19742	6.0
333.16821	4.4
343.25296	3.7
361.20432	3.8
405.19067	4.4
425.21469	5.4
487.30518	57.2
501.31711	5.1
539.33508	5.6
549.32123	5.1
567.33313	10.7
613.33905	4.7
631.34497	11.8
649.33691	47.1
649.50214	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	648.2071
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02373	0.4
55.01861	1.3
56.05027	0.3
65.03924	0.8
67.05491	1.4
68.99792	2.1
69.03423	0.6
70.06593	12.1
71.52161	0.3
76.30424	0.3
77.03944	0.6
79.05502	1.1
81.07046	0.9
85.02905	0.6
88.97443	0.3
89.03917	0.5
91.05484	1.8
93.03421	1.0
93.07063	0.5
95.04973	6.8
103.05450	0.7
105.03416	0.9
105.07020	1.4
107.04955	2.7
109.02902	0.4
109.06509	1.1
111.00854	0.4
111.04444	1.1
115.05444	1.6
117.03384	0.9
117.06994	0.9
119.04958	1.4
121.02877	1.1
121.06512	0.6
123.04432	32.7
127.03938	0.5
128.06229	0.4
129.07002	0.7
131.04942	1.1
133.06503	2.3
135.04420	21.8
135.08020	0.6
136.07567	1.5
137.02350	1.7
137.05975	1.2
138.05510	1.8
139.03908	16.8
141.06981	0.4
143.04935	0.9
145.02850	0.5
145.06480	1.7
147.04405	4.8
147.07910	0.4
149.05988	2.3
151.03928	6.4
151.07555	3.8
153.05449	2.6
153.06712	0.4
155.04901	0.6
155.07132	0.4
157.06509	1.1
159.04443	1.2
160.05182	0.4
161.05984	7.6
161.07265	0.5
163.03911	24.4
163.07513	3.3
165.05511	1.7
165.06947	0.5
167.03418	0.6
167.05823	0.4
167.07082	1.3
167.08458	0.4
169.06488	0.8
171.04486	0.4
171.08095	0.3
173.05975	3.8
175.03912	1.6
175.07504	1.5
177.05469	3.3
177.07872	0.4
178.05032	0.6
178.08783	1.5
179.03622	1.7
179.07037	29.9
179.08281	1.2
181.06534	0.8
183.04475	0.8
183.08075	0.6
184.10838	0.4
185.05995	1.7
187.03935	1.2
187.07579	0.6
188.07080	2.9
189.05516	1.6
189.09178	0.5
190.08672	2.8
191.03432	1.3
191.07025	7.4
193.05016	1.3
195.08737	0.6
196.09697	9.6
197.06006	1.0
199.03934	0.5
199.07532	0.6
201.05490	2.7
203.03442	1.4
203.07054	2.2
203.08626	0.5
205.04997	0.7
207.02904	0.3
207.06415	0.4
207.08121	0.8
208.09695	5.1
209.05936	0.4
210.06772	0.3
211.07600	0.7
213.05496	2.5
215.03389	0.4
215.07080	1.2
217.04987	0.8
219.06543	1.6
219.08305	0.3
221.08112	0.9
225.05577	0.6
225.09186	0.9
227.07042	1.6
229.05075	1.0
231.06291	0.4
231.08260	0.5
235.07570	1.5
236.09166	0.7
237.05605	0.9
238.10654	1.4
239.07097	1.2
241.04942	1.5
241.08688	0.7
243.06651	1.1
245.04539	0.4
247.05902	0.7
249.09123	0.6
251.07062	0.4
252.10187	0.4
253.04945	1.3
253.08618	2.8
254.05864	0.3
255.06540	5.0
256.07388	0.3
257.04553	1.4
257.08014	1.5
259.05917	3.3
263.07080	1.0
265.04996	0.5
265.08487	0.7
266.05759	0.9
267.06519	0.8
267.09940	0.4
269.04642	1.7
269.07947	1.9
270.05151	0.4
271.06085	2.1
271.09692	0.9
273.07693	1.8
277.08661	1.2
279.06601	1.3
280.07181	0.5
280.09891	0.4
281.04532	2.0
281.08160	7.9
282.08640	0.3
283.06076	6.4
283.09561	1.1
285.07523	3.0
287.05634	0.6
287.09183	1.0
291.06540	1.2
293.08017	1.4
294.05286	1.6
294.08212	0.4
295.06061	1.9
295.09668	2.6
296.09213	1.1
297.07526	6.3
298.07877	0.5
298.10803	3.7
299.09122	7.4
301.07123	3.0
303.08749	0.7
305.08023	1.6
308.09204	9.7
309.07556	27.1
310.08197	1.1
311.05832	0.5
311.09055	2.9
313.07062	0.6
313.10760	1.9
316.11792	16.0
321.07681	1.3
322.10703	3.0
323.09091	5.3
326.10220	23.9
327.08075	1.4
328.11877	0.6
338.10281	1.1
339.08612	5.8
340.11838	3.0
341.10107	3.0
351.08707	0.8
356.11166	0.5
358.12848	16.4
363.08817	0.3
409.09555	0.4
411.10876	1.0
435.10568	0.5
443.11044	0.6
449.12561	0.5
460.13953	1.9
461.12393	5.9
478.14990	20.7
479.14267	0.6
496.16199	2.4
630.19641	1.6
631.18042	1.2
648.20740	100.0
649.21216	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	647.4858
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	1.4
57.07071	2.5
64.63065	0.7
64.94988	0.8
67.05509	1.4
69.07076	1.0
69.63280	0.7
71.08633	1.8
71.12870	1.2
71.13182	0.8
81.07067	1.3
83.08606	1.1
85.10188	1.6
93.07059	1.0
95.08633	1.1
99.12354	0.8
110.37783	0.7
119.22361	0.8
140.79153	0.8
159.99745	0.8
200.97354	0.8
263.20547	0.8
287.53232	0.8
335.22006	6.4
391.24677	3.3
647.48584	100.0
648.49017	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	648.2074
Annotation	Unknow
Peak:m/z	Relative Intensity
51.79922	0.4
53.40554	0.4
54.18102	0.4
55.01871	1.4
56.96565	0.5
65.03930	1.1
67.05500	1.5
68.99796	2.1
69.03412	0.7
69.81110	1.0
69.81519	1.5
70.06596	9.6
76.34286	0.4
79.05477	0.8
81.07007	0.6
83.01396	0.5
89.03934	0.7
91.05475	2.5
93.03370	0.5
95.04963	5.8
105.03363	0.5
105.07000	1.1
107.04929	2.5
109.06516	1.1
111.00878	0.5
111.04439	0.9
115.05459	1.6
117.07035	1.1
119.04947	1.9
121.02863	1.1
121.06506	0.8
123.04430	27.5
127.03942	0.8
129.07008	1.0
131.04947	0.9
133.06494	1.7
135.04416	21.4
135.08118	0.4
136.07620	0.9
137.02341	1.9
137.06027	1.3
138.05510	1.9
138.06523	0.5
139.03897	15.4
143.04933	0.5
145.06508	1.6
147.04410	4.4
149.05960	2.4
151.03903	6.3
151.07544	3.1
153.05469	2.1
154.04987	0.4
157.06471	1.1
159.04463	1.0
161.05991	8.7
163.03909	22.8
163.07524	3.3
165.05508	1.5
167.07043	1.6
171.04518	0.5
173.05983	2.9
175.03897	1.7
175.07547	0.8
177.05498	2.9
178.06331	0.5
178.08640	1.8
179.03459	1.3
179.07040	27.7
179.08311	1.0
181.04996	0.5
183.04459	0.7
183.80217	0.4
184.10880	0.5
185.05991	1.9
187.03954	1.3
188.07117	2.9
189.05476	1.2
190.08603	3.3
191.03374	1.4
191.07037	6.6
193.05000	0.9
195.08823	1.8
196.09703	10.3
197.06096	1.0
199.07587	0.6
201.05371	2.5
203.03412	2.0
203.07074	2.0
205.04961	0.8
207.08067	0.8
208.09721	3.7
211.07658	1.2
213.05510	2.2
215.03577	0.5
215.07050	1.6
217.04951	0.7
219.06586	1.4
221.08081	1.1
225.09067	0.7
227.07050	1.1
229.04965	1.3
229.08746	0.6
231.06247	0.6
231.08347	0.6
235.07622	0.9
237.05420	0.8
238.10791	0.9
239.07019	1.0
241.04951	1.3
241.08694	0.9
243.06540	1.1
247.05962	1.1
249.09117	0.7
252.07890	0.6
253.04993	1.3
253.08450	2.1
255.06503	4.0
255.10341	0.6
257.04498	1.4
257.08148	1.3
259.05997	2.8
263.07025	1.0
265.05063	0.7
266.05856	0.8
267.06604	1.4
267.09973	0.5
269.04401	1.8
269.08191	1.3
271.06058	2.1
271.09668	0.9
273.07565	1.1
277.08755	1.5
279.06644	1.4
281.04520	1.6
281.08151	7.3
283.06003	5.9
283.09256	0.8
285.07544	2.7
287.05603	0.7
287.09097	0.9
291.06482	0.9
293.08157	0.9
294.05206	1.4
295.06137	1.1
295.09717	1.8
296.09305	1.3
297.07559	7.3
298.10773	4.1
299.05768	0.8
299.09061	6.5
301.07047	2.2
303.08856	1.1
305.08142	1.6
308.09189	10.4
309.07538	27.2
310.08044	0.8
311.09119	2.6
313.10718	2.3
316.11813	14.4
321.07498	1.1
322.10818	2.7
323.09152	4.9
326.10245	24.0
327.08368	1.0
338.10007	0.6
339.08603	6.8
340.11856	2.6
341.10098	2.8
351.08853	0.6
356.11365	0.8
358.12845	17.0
409.09131	0.5
411.10751	1.1
421.08972	0.6
435.10938	0.8
460.13934	2.8
461.12326	6.1
478.14978	18.8
479.14087	0.8
496.16153	2.5
630.19788	1.9
631.18433	0.7
648.20721	100.0
649.20886	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	647.2712
Annotation	Unknow
Peak:m/z	Relative Intensity
50.40914	0.5
52.96231	0.5
53.03939	1.1
53.59081	0.5
55.05484	0.5
59.04986	1.7
62.02991	0.5
67.05486	2.1
69.03440	1.0
69.07054	2.1
70.06574	0.6
71.52693	0.5
72.08149	1.0
73.02900	0.5
79.05485	1.4
81.03423	1.2
81.07030	1.8
83.04957	0.7
84.80701	0.5
85.02893	1.5
91.05471	1.9
93.07031	2.1
94.06577	3.2
95.04956	1.6
95.08591	1.7
96.04472	0.8
97.02869	2.2
97.06532	1.2
105.07014	1.6
107.08591	0.6
108.04427	0.5
108.08098	0.8
109.06506	0.9
109.10149	0.7
116.04991	1.1
117.09098	0.7
119.08555	1.2
121.06470	0.9
121.10119	1.0
122.06040	9.9
123.04430	1.1
123.08033	0.8
129.06981	0.8
131.08553	0.6
133.10083	0.7
134.06015	0.6
135.04362	0.8
135.11746	0.7
136.07591	2.9
137.05827	0.6
139.03918	1.0
140.07074	9.1
142.07729	0.5
143.08598	0.7
144.04417	1.2
144.08060	0.8
145.10112	1.2
146.06029	9.3
147.04448	0.7
147.11600	0.7
148.07588	1.2
150.05466	1.7
150.09132	0.9
155.08499	0.8
159.11734	0.8
160.07549	1.2
162.05528	1.1
163.03821	3.1
169.08812	0.6
170.09637	3.1
171.11711	0.8
172.03934	9.1
172.07556	1.3
172.09871	0.8
172.11224	0.9
173.04755	1.2
174.05502	3.5
174.09149	0.5
175.08649	1.8
177.05481	0.8
178.08656	0.9
183.06757	0.7
184.07397	0.7
187.12387	4.0
188.06995	0.8
190.04947	0.9
191.05702	1.0
195.08736	0.8
198.09161	22.4
199.12408	0.5
200.06970	0.6
200.09346	2.1
200.10774	1.5
204.06561	15.5
206.06314	0.9
206.08141	12.9
212.10817	3.4
213.10251	0.8
214.08640	0.6
214.10786	0.6
215.11824	18.3
217.12175	0.6
218.08179	0.7
225.10175	1.5
226.08681	6.7
227.08115	1.7
227.11801	1.7
228.08833	1.2
229.13435	1.1
231.11279	0.9
240.10428	2.5
241.09654	3.3
241.13414	1.5
242.10468	1.5
243.11298	98.6
245.09349	0.9
249.10265	0.9
255.11272	9.4
256.12152	0.8
257.12872	7.3
259.10422	0.6
266.60776	0.6
267.11304	0.7
269.09241	1.2
271.06021	1.9
283.10764	1.2
285.12344	89.9
287.10422	4.2
287.13596	0.9
301.11795	9.4
302.12326	0.7
303.13397	100.0
304.13641	1.1
313.11954	2.9
317.14990	3.2
331.12845	1.1
345.14502	5.6
347.16022	1.7
352.11835	0.6
371.12430	0.6
383.12607	1.0
386.15018	0.6
414.14529	0.7
430.17545	1.4
431.18298	0.7
439.12637	0.7
446.16867	0.6
456.15372	0.8
474.16589	3.6
475.17352	0.6
489.18930	1.2
490.19397	0.6
492.17627	4.6
495.20197	0.7
495.97299	0.5
506.19220	1.1
510.18503	1.1
524.20190	3.8
571.25409	3.3
587.25256	1.3
597.23096	1.2
615.15039	0.9
615.24451	11.6
629.26056	1.2
647.26025	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	647.2715
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	0.9
57.25748	0.4
65.03965	0.7
67.05516	1.8
69.03415	0.8
69.07074	1.9
69.16360	4.6
70.06599	0.7
77.03984	0.6
79.05496	0.8
81.03410	0.5
81.07073	1.1
85.02940	0.7
89.03977	0.5
89.06095	0.5
91.05499	1.3
93.07052	1.4
94.06563	5.0
95.04963	1.1
95.08614	0.8
97.02907	1.8
97.06538	1.3
98.20712	0.9
104.04980	0.5
105.07079	0.8
106.42159	0.4
107.08612	1.2
108.04482	0.7
109.10199	0.8
110.06075	1.1
115.05427	0.5
116.05013	0.9
118.06558	0.7
119.04971	0.6
121.10204	0.5
122.06027	14.2
123.04465	1.1
129.06982	0.8
131.08551	0.5
135.04372	0.7
136.07611	1.8
140.07065	16.5
143.08586	0.7
144.04480	1.8
145.10121	0.6
146.06018	12.3
147.04352	0.7
148.07516	0.6
150.05492	1.4
151.03926	0.9
151.07535	0.6
155.07327	0.7
155.08620	0.9
156.08112	0.6
160.07520	0.8
162.05511	1.6
162.09145	0.5
163.03940	2.0
170.09634	3.8
172.03937	12.2
172.07545	0.6
172.09970	0.6
172.11290	1.0
173.04724	2.3
174.05516	8.2
175.08694	1.4
177.05537	0.6
177.46187	0.5
180.08049	0.8
182.09750	0.7
184.11148	0.7
186.09126	0.9
187.08734	0.9
187.12347	3.5
189.10126	0.5
190.05054	0.9
191.05684	0.9
191.07187	0.6
196.07671	0.5
198.09145	19.8
199.08554	1.0
199.12338	0.5
200.09424	1.9
200.10757	1.9
204.06563	18.0
205.07265	0.7
206.08150	9.7
208.09634	0.6
210.09177	1.0
211.97998	0.5
212.10913	4.2
213.10168	0.8
215.11813	17.3
225.10226	0.8
226.08730	6.8
227.08174	1.7
227.11798	4.9
228.08932	1.1
229.09657	0.6
229.13336	1.1
231.11293	1.0
238.08736	0.6
239.11734	0.5
240.08612	0.8
240.10228	2.0
241.09772	2.0
241.13319	1.1
242.10474	3.3
243.11301	94.4
249.10535	0.5
255.11296	21.9
256.12051	1.2
257.12878	5.1
259.09790	0.7
267.11310	0.9
269.09235	1.0
269.12820	0.5
283.10855	2.1
284.11523	1.1
285.12344	96.4
286.12567	0.6
287.10281	0.8
293.09262	0.7
301.11884	12.4
302.12570	1.8
303.13394	100.0
304.13742	0.9
313.11841	10.3
331.12897	1.9
345.14438	6.3
347.16049	1.3
353.11304	0.9
385.39310	0.5
412.16766	0.7
429.14532	1.2
430.17395	1.0
456.15536	0.7
471.17886	1.7
474.16571	6.4
488.17935	0.7
489.19022	1.9
512.20782	0.6
524.19904	0.7
550.76196	0.5
571.25055	1.7
581.26520	0.6
587.24792	0.8
597.23047	1.7
611.24725	1.1
615.24457	7.4
629.25940	10.5
647.26563	23.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	646.4526
Annotation	Unknow
Peak:m/z	Relative Intensity
50.48639	3.5
53.03946	4.7
55.01856	5.3
55.05511	30.8
57.03423	15.3
57.07079	4.4
67.05187	3.7
67.05506	61.0
69.03418	7.5
69.07056	12.1
71.04992	6.4
71.08615	9.7
71.53494	3.4
79.05077	3.3
79.05495	40.6
81.03418	73.9
81.07060	65.2
83.04960	12.4
83.08621	30.9
85.06534	5.2
91.05490	39.5
93.06569	4.2
93.07054	50.6
95.04978	30.9
95.08598	30.4
97.06523	11.7
97.10173	23.4
99.08096	8.2
99.91508	2.9
105.07029	19.5
107.04939	7.3
107.08607	26.9
109.06507	6.1
109.10172	17.9
110.41856	3.8
111.08094	9.8
115.05422	4.4
117.07026	10.9
119.08604	21.8
121.06487	7.6
121.10152	20.8
123.11685	4.6
125.09631	13.0
129.06972	13.3
131.08594	22.6
133.10153	18.4
134.50433	3.3
135.08040	6.4
135.11665	8.7
137.09532	4.8
139.11134	3.9
143.08553	4.1
145.06447	4.2
145.10072	10.9
147.08044	3.9
147.11650	14.5
149.09619	9.6
149.13242	14.8
151.11101	10.1
157.10112	12.0
159.11708	9.2
161.09608	4.2
161.13286	5.4
163.11108	9.2
165.12782	6.0
175.11148	7.4
179.14240	3.5
181.10103	4.2
184.07365	4.4
189.11259	8.2
191.56636	3.4
193.12247	19.5
199.35017	3.5
211.13321	6.4
214.68532	3.6
227.12791	22.5
267.15933	66.4
269.17514	33.1
277.21484	10.6
351.25195	11.3
369.24008	3.9
437.25125	7.8
443.27859	12.2
445.29651	3.8
447.27341	5.6
461.29016	100.0
493.31421	13.8
543.36676	41.0
561.37787	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	644.4943
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	2.6
57.03444	1.1
57.07080	85.8
59.05007	12.0
67.05508	3.0
69.07066	2.5
70.07516	2.5
71.08636	61.3
73.06567	4.4
79.05482	1.0
81.07064	2.9
83.08615	1.9
85.10188	50.5
85.15308	0.7
87.04470	13.5
89.06039	100.0
91.05497	1.8
93.07043	1.5
94.37307	0.7
95.08638	1.4
97.10182	1.4
99.11745	7.6
103.07584	7.3
105.07027	1.3
107.07063	1.2
113.13268	3.1
117.09128	3.2
119.08574	1.2
121.10165	1.0
130.08652	3.2
131.07065	5.0
133.08614	81.5
135.11690	1.1
155.17935	7.3
161.11714	2.4
169.56335	0.8
175.09715	4.4
177.11237	38.9
179.14325	1.5
184.07361	0.8
188.54526	0.8
201.19328	0.9
213.22179	6.8
219.12302	1.9
221.13823	8.4
239.14906	1.7
257.24753	6.4
265.16537	2.6
277.21576	1.4
283.17542	3.0
309.18951	1.5
327.20099	2.4
353.21741	1.8
354.77097	0.7
371.22742	3.9
397.24240	3.0
415.16718	0.9
415.25351	19.6
455.28595	3.0
459.27823	2.8
505.35269	2.1
608.43878	1.0
626.44177	1.7
627.46295	2.9
644.40332	8.2
644.49579	6.2
645.50690	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	645.4524
Annotation	Unknow
Peak:m/z	Relative Intensity
50.56082	0.4
55.05521	0.6
57.07078	6.3
58.04214	0.6
59.04993	1.9
67.05508	1.1
69.07088	0.5
71.08642	4.9
72.05775	1.0
73.02900	0.8
73.06558	1.7
73.12614	0.4
79.05502	0.8
81.07052	1.0
83.08604	0.5
85.10187	4.4
87.04462	1.7
89.06030	1.8
90.01924	2.8
91.05456	0.4
93.07055	0.9
103.07592	1.0
105.06965	0.5
107.08608	0.7
116.08327	0.5
117.09114	1.0
117.36553	0.4
127.05149	0.4
133.08632	1.3
150.52202	0.6
160.05426	0.4
160.54341	0.4
177.11269	0.5
178.07190	0.5
194.14035	0.5
212.21423	0.5
252.18367	0.5
262.49002	0.5
296.20770	0.5
310.22269	0.9
406.35004	0.6
494.40320	1.4
635.14063	0.4
645.25897	100.0
646.26270	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	644.494
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	4.6
57.03410	1.9
57.07076	100.0
59.05001	27.5
67.05491	4.9
67.22372	1.2
69.07046	4.4
71.04974	1.2
71.08633	93.6
71.52157	1.5
73.06540	1.6
79.05476	3.8
81.07039	3.2
83.08620	5.1
85.10183	84.1
87.04468	8.0
89.06032	77.4
89.06521	1.4
91.05461	2.4
93.07056	2.7
95.04943	1.6
95.08640	2.1
97.10193	1.4
99.11734	10.1
101.09641	2.0
105.07056	1.8
109.10151	2.3
111.11677	1.3
117.09144	6.5
119.08591	2.2
121.10095	1.5
130.08661	2.6
131.07036	3.4
133.08603	60.5
141.16382	11.6
145.10049	1.6
175.09662	3.2
177.11215	27.1
179.14322	2.3
199.20566	26.6
219.12383	1.2
221.13838	7.0
229.14363	1.8
240.23283	1.9
257.24756	13.1
277.21539	1.3
283.17453	2.9
327.20087	3.0
353.21530	1.8
371.22736	20.8
411.25748	4.2
429.27008	3.4
459.27838	4.5
469.29782	1.6
505.35349	3.5
626.45081	1.3
627.46338	2.5
629.17023	1.2
644.40594	3.9
644.48865	7.9
645.42767	1.8
673.87762	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	644.3279
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	0.6
55.01860	0.3
55.05510	1.7
57.03430	0.3
57.07074	0.4
59.05016	0.3
67.05508	2.0
69.03422	1.2
69.07081	1.5
69.31861	0.2
70.06583	0.6
71.04986	0.7
71.52712	0.2
71.53117	0.4
79.05493	1.6
81.03428	0.6
81.07053	2.6
83.04989	1.2
83.08621	2.0
85.02901	0.9
85.06537	0.7
88.68832	0.2
91.05476	1.5
93.07051	2.6
95.04369	0.4
95.04973	7.7
95.08612	4.6
96.08101	0.3
97.02894	100.0
97.06484	1.2
97.10181	0.3
98.03227	1.1
99.04461	0.8
99.08096	13.5
101.36868	0.3
105.03394	7.5
105.07018	1.3
107.05028	0.3
107.08588	3.6
109.06509	0.7
109.10162	7.8
111.04473	0.3
111.08092	0.9
113.09607	0.5
117.06994	0.5
117.09115	0.4
119.08588	2.8
121.10159	1.0
123.04443	0.6
123.08055	0.6
123.11714	1.1
125.05946	0.3
125.09599	0.3
127.03900	0.6
127.11194	1.3
131.08527	0.3
133.10130	2.4
135.04402	0.3
135.08133	0.4
135.11693	5.5
137.05942	0.5
137.09625	5.6
139.03922	0.3
145.02794	0.3
145.06470	0.3
145.10118	0.5
147.04387	0.3
147.11696	0.4
149.13359	0.6
151.11276	0.4
151.14886	0.3
153.12752	2.9
155.10670	4.8
157.10112	0.3
159.11752	0.3
163.03941	0.8
163.11182	0.3
167.07063	1.1
171.13795	2.3
173.05937	0.3
173.13261	0.4
175.03961	0.4
175.14803	3.4
175.16116	0.4
177.05447	0.4
181.05034	0.6
187.07286	0.2
187.11208	0.3
190.06334	0.4
191.06723	0.4
193.08501	0.3
193.15886	8.6
193.84688	0.2
195.08670	0.3
207.06567	0.4
211.16934	27.0
219.06540	3.1
221.08080	1.6
222.08479	1.0
229.18001	8.5
237.07591	4.3
252.12231	0.3
303.05075	0.4
353.24506	0.3
373.22321	0.4
381.11823	1.7
465.92645	0.3
644.24127	0.9
645.22723	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.2522
Annotation	Unknow
Peak:m/z	Relative Intensity
79.05431	0.3
79.59730	0.3
79.75498	0.3
85.16039	0.3
95.04969	0.3
98.21508	0.9
121.12830	0.3
134.42993	0.3
191.21820	0.3
196.57884	0.3
229.71259	0.4
238.93985	0.3
602.77484	0.4
643.25262	100.0
644.25574	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.1661
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02385	1.0
51.42851	0.9
55.01876	7.0
55.05508	0.9
59.89045	1.1
65.03955	1.8
67.05511	1.5
68.99792	3.8
70.06590	1.7
75.84628	1.0
77.03892	1.0
83.04957	1.7
85.02925	2.0
86.66310	1.1
87.96584	0.9
89.03928	1.5
91.05482	4.7
92.01369	0.9
93.03390	1.1
95.04983	1.8
97.02901	1.2
103.05463	1.9
105.03413	1.4
106.44239	1.1
109.02872	1.2
111.00823	2.2
111.04476	1.7
115.05465	2.4
119.04958	6.6
123.04431	100.0
125.02370	1.9
127.03953	1.3
129.03372	1.3
131.04944	3.8
133.06505	1.5
135.04439	4.1
137.02402	5.2
137.06010	1.2
139.03906	8.7
141.01794	5.6
141.06990	2.3
143.04938	3.9
144.08009	1.1
145.02853	2.6
145.06464	2.4
147.04413	30.0
149.05994	1.3
151.03978	1.4
153.01845	2.5
155.04950	4.8
157.02875	2.0
157.06453	1.2
159.04416	7.6
161.05972	10.3
163.03900	9.6
165.05472	5.7
169.06479	3.6
171.04399	14.3
173.06003	2.3
175.03944	8.6
177.05460	7.0
179.07019	2.1
181.06523	1.9
183.04395	3.3
184.05144	1.2
185.02344	2.5
185.05997	2.7
187.03902	4.8
187.07544	2.1
189.05461	13.2
193.05103	1.3
197.06033	8.0
199.03905	41.3
200.04463	1.1
201.03558	2.1
201.05469	51.3
203.03392	86.3
205.04976	3.7
207.06520	8.8
209.06044	1.3
211.03900	49.7
213.05463	13.6
215.03374	3.3
215.07057	1.2
217.04938	3.2
225.05507	5.1
227.03392	79.1
229.04976	10.5
230.05836	1.2
231.06570	2.2
233.04453	19.9
233.06735	1.5
237.05486	2.5
239.03391	48.7
240.03876	1.2
241.05022	3.7
243.06433	6.1
245.04454	13.2
247.06117	2.3
249.07643	2.1
253.05057	8.4
255.06499	3.8
257.04434	41.7
258.05234	2.2
259.06049	7.3
262.27658	1.1
265.04953	3.1
267.06488	1.6
269.04407	5.3
271.05994	23.1
273.04315	1.6
273.07468	1.9
275.05536	4.7
281.04453	52.5
283.06006	6.9
287.05496	1.8
291.08591	3.1
293.04480	1.2
297.55341	1.3
299.05493	49.4
301.06946	2.2
311.05490	18.4
317.06534	3.6
341.07828	1.5
345.07495	2.9
359.09332	1.4
387.08539	6.6
389.10172	3.2
391.08188	14.8
405.09769	7.3
407.11292	2.5
409.09171	13.6
415.08112	13.8
423.10657	5.4
433.09189	45.0
451.10254	28.3
469.11285	1.3
473.11029	9.3
491.11896	18.4
605.28229	1.1
643.16241	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.2401
Annotation	Unknow
Peak:m/z	Relative Intensity
56.39272	0.2
67.05479	0.5
70.29918	0.9
79.05453	0.3
81.07024	0.3
91.05435	0.4
159.45311	0.2
232.81537	0.3
253.14508	0.3
281.30881	0.3
384.12250	0.3
396.12216	1.4
397.12997	1.4
398.13919	1.0
399.14743	0.5
409.13239	0.7
410.13745	2.3
411.14542	5.6
412.15347	3.7
413.16214	2.5
423.15005	1.8
424.10876	0.8
424.16254	2.1
425.16269	11.7
426.16968	8.0
427.17670	1.8
428.18582	1.7
436.15494	0.3
437.11606	0.4
437.16385	0.9
438.12387	2.5
439.13629	15.1
440.13113	0.4
440.18939	4.6
441.19305	36.5
442.19858	1.4
444.17783	0.3
451.13950	0.8
452.14383	3.3
453.15411	16.6
454.15942	4.9
455.21494	0.4
457.15082	0.6
458.16190	0.3
463.14117	0.8
465.15558	0.7
466.11902	0.6
466.17462	0.6
467.17203	25.4
468.17935	13.0
469.18863	12.1
470.19159	0.4
471.16534	0.8
472.17786	0.6
480.17581	1.1
481.14700	13.8
482.15457	3.0
482.20892	0.3
485.18295	0.6
486.19339	0.4
494.17584	0.5
495.16861	1.8
495.21857	0.5
496.17303	11.3
497.18250	2.0
498.18561	0.8
499.19479	1.1
500.20520	0.4
508.19101	1.0
509.18228	2.8
510.20795	0.5
512.20953	1.3
513.21631	0.4
514.22375	3.2
522.17548	0.8
523.19720	1.8
524.20862	0.4
526.18463	0.5
527.23407	2.9
528.22900	0.3
537.18976	0.5
539.19238	0.7
540.19940	0.7
542.21741	0.9
545.24554	0.4
555.22437	29.7
556.22827	1.0
557.23212	0.3
583.21899	100.0
584.22046	3.1
586.20734	0.5
587.25208	1.8
611.21240	1.6
614.23901	0.6
615.24512	13.1
616.25031	0.5
643.23981	77.7
644.24091	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.1654
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	3.1
63.24476	0.7
67.05516	0.8
68.99783	1.2
69.03419	1.0
70.69701	1.6
83.04951	0.9
85.02893	1.6
89.03902	1.5
91.05441	1.9
97.02867	1.1
102.99006	0.8
105.07043	1.0
107.04942	1.1
109.02853	0.8
111.04434	1.0
115.05457	1.9
117.03401	1.1
119.04935	4.9
123.04426	51.3
124.48120	0.8
125.02335	1.7
131.04906	1.9
133.06511	1.6
135.04422	4.3
137.02325	1.7
137.90897	0.7
139.03885	2.9
141.01834	2.6
143.04906	2.4
145.02821	1.6
147.04414	32.8
149.05998	1.3
151.03882	0.9
153.01839	1.8
155.04868	0.9
157.71133	0.8
159.04443	1.2
161.05992	11.7
163.03912	17.7
164.04256	1.2
165.05499	5.3
167.03383	0.8
171.04405	3.7
173.05959	2.2
175.03874	3.0
177.05484	8.1
181.06497	1.7
183.04410	3.9
185.06012	1.0
187.03918	2.3
189.05467	48.2
193.04976	2.4
197.06015	1.8
199.03905	6.6
201.05486	5.6
203.03394	84.0
205.04907	4.0
207.04449	2.0
207.06476	2.4
211.03915	7.5
213.05473	5.7
217.04967	14.6
221.04468	1.4
225.05486	3.1
227.03383	6.0
227.06906	1.1
229.04932	9.0
231.06564	1.8
233.04466	10.3
235.03810	1.1
237.05429	1.3
239.03413	5.0
241.04883	1.3
243.06407	1.6
245.04471	22.9
247.06078	1.1
253.02498	1.4
253.04970	19.8
255.02844	2.8
255.06578	4.1
257.04449	58.2
258.05151	2.7
259.06015	3.5
269.04361	3.7
271.05893	7.4
273.03836	1.9
275.05435	4.6
281.04459	25.7
283.05972	3.4
287.05542	6.2
299.05508	28.7
301.06909	1.8
311.05411	4.1
363.08521	2.1
387.08514	2.5
391.08102	12.9
405.09708	6.3
409.09192	100.0
410.09790	1.1
415.08127	3.2
433.09238	17.0
451.10278	14.7
491.11789	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	643.1658
Annotation	Unknow
Peak:m/z	Relative Intensity
51.27958	1.3
55.01873	4.1
67.05495	1.9
68.99783	4.7
70.06590	2.0
71.52816	1.4
83.04964	2.8
84.08143	3.2
88.48492	1.5
89.03936	2.4
91.05508	2.3
98.97599	2.5
111.00760	2.1
111.04475	1.7
115.05485	1.8
117.03347	2.5
119.04945	4.6
123.04436	82.3
125.02321	2.0
130.11603	1.3
131.04922	4.3
135.04398	7.9
136.96452	1.4
137.02362	2.7
139.03885	5.1
141.01836	4.8
143.00163	2.0
143.04869	3.2
144.08090	1.7
145.02827	3.8
147.04410	21.2
149.05977	2.5
149.24951	1.3
153.01811	3.8
155.04898	4.6
157.02809	1.6
159.04419	4.0
161.06003	7.0
163.03911	26.7
164.04282	2.9
165.05504	3.4
171.04439	12.3
175.03915	8.2
177.05453	5.5
179.03429	1.4
181.06525	1.7
183.04378	4.4
185.02408	2.7
185.05988	2.3
187.03918	3.9
189.05476	12.2
197.05981	4.2
199.03926	36.6
200.04515	1.8
201.05501	27.9
203.03403	100.0
205.04976	3.1
207.06520	4.3
209.06026	2.1
211.03906	52.6
213.05482	13.0
215.03307	2.9
217.04961	5.2
225.05388	5.5
227.03413	51.0
227.06792	1.9
229.05075	8.5
231.06528	2.4
233.04411	13.0
237.05424	4.5
239.03401	48.5
241.04887	4.2
243.06491	2.0
245.04495	13.1
253.04956	8.1
255.06415	2.4
257.04437	40.0
259.05875	6.9
269.04428	4.7
271.05908	6.7
275.05389	2.2
281.04474	59.7
283.06036	5.1
299.05533	44.2
301.07025	3.3
311.05466	9.0
317.07190	2.1
345.07385	2.4
359.09113	2.2
369.07602	1.6
373.06949	1.9
374.07837	2.4
387.08606	11.9
391.08078	19.0
405.09470	2.6
409.09232	15.3
415.08154	15.1
423.10507	2.0
433.09232	50.7
451.10251	35.8
473.10754	3.3
491.11804	20.9
577.21655	2.1
643.31360	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.1659
Annotation	Unknow
Peak:m/z	Relative Intensity
50.78935	0.4
55.01871	0.5
55.05504	0.8
55.77808	0.4
65.03919	0.4
67.05502	1.9
69.03393	0.6
69.07050	0.7
70.06577	0.5
71.52975	0.3
79.05476	1.4
80.70027	0.3
81.03405	1.1
81.07047	1.1
82.56022	0.3
85.02897	1.1
91.05473	1.9
92.02621	0.3
92.14866	0.3
93.07037	0.9
95.04944	0.8
95.08596	1.1
97.02902	1.7
97.06528	1.7
99.08045	0.4
102.04680	0.9
103.05460	0.8
105.07038	1.2
107.04984	0.7
107.08557	0.7
109.10143	1.0
111.04431	0.4
119.04894	2.0
119.08541	0.6
121.02866	0.4
121.06474	0.7
121.10160	0.7
125.00011	0.4
127.03909	0.6
130.04143	1.4
130.05009	0.4
131.04921	0.8
131.08597	0.5
133.02774	0.5
133.06493	1.0
133.10089	0.7
135.04433	2.2
135.11684	0.5
139.03941	0.4
145.02850	0.7
145.06436	0.5
145.10094	0.4
147.04430	6.0
147.11722	0.4
148.05141	0.5
149.02309	0.4
149.05957	1.3
149.09586	0.3
150.06790	0.6
153.01881	0.4
160.05186	1.0
161.06029	1.9
162.06776	5.8
163.03900	7.7
163.07574	1.1
163.11145	0.6
165.09100	0.5
167.07047	1.6
174.03117	0.9
175.03911	4.2
176.04688	1.3
177.05464	2.2
178.06255	7.6
181.04962	1.0
184.07350	2.0
187.03819	0.6
188.04741	0.5
189.05537	1.8
190.06253	18.4
191.03357	5.4
191.07002	2.2
191.10669	0.5
192.04207	0.4
193.06837	0.8
193.08609	14.7
201.05547	0.5
205.05013	0.5
206.05751	6.9
217.04974	0.6
221.08096	100.0
222.08446	0.8
228.04108	0.7
229.05040	0.8
231.02954	0.5
233.04443	1.8
239.06845	0.4
245.04398	1.0
246.05208	1.5
256.03687	1.6
257.04437	2.5
260.03192	1.2
261.04031	0.7
267.16064	0.5
269.04611	0.4
273.03909	5.0
274.04718	6.0
285.03900	3.4
297.03952	0.6
299.05756	0.4
303.05005	50.8
304.05368	0.4
323.05591	0.6
327.05151	2.0
351.05008	1.8
369.06049	1.1
387.06992	0.5
405.08337	0.5
417.15393	0.7
451.16104	0.4
643.15210	0.6
643.32874	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.1659
Annotation	Unknow
Peak:m/z	Relative Intensity
50.78935	0.4
55.01871	0.5
55.05504	0.8
55.77808	0.4
65.03919	0.4
67.05502	1.9
69.03393	0.6
69.07050	0.7
70.06577	0.5
71.52975	0.3
79.05476	1.4
80.70027	0.3
81.03405	1.1
81.07047	1.1
82.56022	0.3
85.02897	1.1
91.05473	1.9
92.02621	0.3
92.14866	0.3
93.07037	0.9
95.04944	0.8
95.08596	1.1
97.02902	1.7
97.06528	1.7
99.08045	0.4
102.04680	0.9
103.05460	0.8
105.07038	1.2
107.04984	0.7
107.08557	0.7
109.10143	1.0
111.04431	0.4
119.04894	2.0
119.08541	0.6
121.02866	0.4
121.06474	0.7
121.10160	0.7
125.00011	0.4
127.03909	0.6
130.04143	1.4
130.05009	0.4
131.04921	0.8
131.08597	0.5
133.02774	0.5
133.06493	1.0
133.10089	0.7
135.04433	2.2
135.11684	0.5
139.03941	0.4
145.02850	0.7
145.06436	0.5
145.10094	0.4
147.04430	6.0
147.11722	0.4
148.05141	0.5
149.02309	0.4
149.05957	1.3
149.09586	0.3
150.06790	0.6
153.01881	0.4
160.05186	1.0
161.06029	1.9
162.06776	5.8
163.03900	7.7
163.07574	1.1
163.11145	0.6
165.09100	0.5
167.07047	1.6
174.03117	0.9
175.03911	4.2
176.04688	1.3
177.05464	2.2
178.06255	7.6
181.04962	1.0
184.07350	2.0
187.03819	0.6
188.04741	0.5
189.05537	1.8
190.06253	18.4
191.03357	5.4
191.07002	2.2
191.10669	0.5
192.04207	0.4
193.06837	0.8
193.08609	14.7
201.05547	0.5
205.05013	0.5
206.05751	6.9
217.04974	0.6
221.08096	100.0
222.08446	0.8
228.04108	0.7
229.05040	0.8
231.02954	0.5
233.04443	1.8
239.06845	0.4
245.04398	1.0
246.05208	1.5
256.03687	1.6
257.04437	2.5
260.03192	1.2
261.04031	0.7
267.16064	0.5
269.04611	0.4
273.03909	5.0
274.04718	6.0
285.03900	3.4
297.03952	0.6
299.05756	0.4
303.05005	50.8
304.05368	0.4
323.05591	0.6
327.05151	2.0
351.05008	1.8
369.06049	1.1
387.06992	0.5
405.08337	0.5
417.15393	0.7
451.16104	0.4
643.15210	0.6
643.32874	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	642.5304
Annotation	Unknow
Peak:m/z	Relative Intensity
52.39037	0.6
53.03942	1.9
53.41165	0.7
55.01862	1.9
55.05514	9.5
57.03442	3.9
57.07079	22.7
65.03920	0.9
67.05506	26.3
67.82101	0.6
69.07075	12.7
71.04984	2.2
71.08235	1.0
71.08636	19.1
73.06557	0.8
79.05496	14.6
81.03404	1.8
81.07061	31.4
83.04984	5.2
83.08624	9.8
85.06557	1.9
85.10192	9.7
91.05491	11.5
93.06484	1.1
93.07048	18.5
95.04977	4.9
95.08609	21.5
97.06535	4.0
97.10193	4.2
98.21532	1.2
99.08099	2.3
105.04548	0.9
105.07034	6.1
107.08601	7.7
109.06515	1.9
109.10159	8.5
111.08077	1.4
111.11720	0.8
112.66115	0.6
117.07040	4.7
119.08583	3.2
121.06475	0.7
121.10150	5.8
123.08012	0.7
123.11738	3.1
125.09625	0.9
129.07037	1.4
131.08566	4.0
133.10101	5.2
135.08122	0.9
135.11691	3.3
137.13237	0.7
139.11205	1.2
143.08499	0.8
145.10106	1.5
147.11687	1.9
149.13261	5.8
151.11217	4.8
159.11685	4.8
161.13249	2.8
163.11192	2.2
165.12779	0.8
175.14761	0.7
177.12781	1.1
179.14343	1.2
185.13455	0.7
195.13828	3.8
218.51579	0.7
227.12955	1.1
229.14435	1.0
233.15393	0.8
239.23744	2.6
251.16475	1.3
259.20535	1.9
269.17487	11.8
277.21503	5.6
313.27368	26.1
333.24619	0.8
351.25357	10.0
467.37323	2.3
491.40790	0.7
507.40469	100.0
508.40781	1.5
589.48438	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	642.3123
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01589	0.3
51.02375	0.2
53.03932	0.7
55.01877	0.2
55.05505	1.7
56.96570	0.2
57.03428	0.3
57.07071	0.6
59.04987	0.3
65.03947	0.2
67.05511	2.1
69.03427	1.4
69.07067	0.9
69.57490	1.0
70.06605	0.3
71.04993	0.4
72.08118	0.2
79.05506	1.6
81.03405	0.5
81.07061	4.0
83.04994	1.9
83.08612	1.8
85.02898	0.6
85.06547	0.7
87.04475	0.6
88.10706	0.2
88.38677	0.2
91.05479	2.1
93.07052	2.4
95.04976	3.5
95.08620	1.9
96.04519	0.3
97.02892	100.0
97.06535	1.4
97.10157	0.3
98.03229	0.5
99.04452	0.6
103.62281	0.2
105.03397	7.8
105.07037	3.0
107.04964	0.2
107.08595	3.8
109.06528	3.1
109.10154	6.6
111.08077	1.0
113.06076	0.3
114.05500	0.2
115.07592	0.2
116.07048	0.2
117.07016	0.6
119.04958	0.3
119.08591	2.0
121.06501	0.4
121.10150	3.4
123.04482	0.2
123.08058	1.3
123.11703	1.5
125.09626	0.6
127.03951	0.4
129.06975	0.2
131.08563	1.9
133.10130	7.8
135.04437	0.4
135.08072	1.3
135.11688	0.9
137.05957	0.5
137.13191	0.5
139.03947	0.5
139.11279	0.3
143.08591	0.5
145.02876	0.2
145.05092	0.2
145.10149	1.2
147.04417	0.7
147.08070	0.2
147.11673	1.3
149.05981	0.3
149.09642	0.4
149.13252	2.4
150.10339	0.2
151.11165	2.8
153.09108	1.8
157.10052	0.2
158.10912	0.9
162.06749	0.5
163.03888	1.2
163.11169	0.5
163.14828	1.0
164.07112	0.4
165.12755	1.3
167.14322	2.1
171.10196	0.2
173.13264	4.8
173.14709	0.3
175.03923	0.5
175.11121	0.2
175.14845	1.7
177.05463	0.4
178.06273	0.4
181.04858	0.2
181.12259	0.5
184.07256	0.2
189.05447	0.3
190.06308	1.3
191.03430	0.4
191.07112	0.2
191.14316	4.9
193.04947	0.3
193.08659	1.0
193.12384	0.2
193.15883	0.3
195.06557	0.4
206.05762	0.7
207.06631	0.3
209.15372	14.8
210.15665	0.2
219.06520	4.3
220.06693	0.2
221.08096	6.1
225.14940	0.5
227.16446	0.5
233.15390	0.2
237.07584	5.2
257.04559	0.4
257.93997	0.2
259.09738	0.4
263.09149	0.3
267.15878	0.2
269.17444	0.2
273.03928	0.4
279.08841	0.2
285.04041	0.7
303.04953	0.4
305.17410	0.2
339.12085	0.2
351.04715	0.2
381.11798	1.2
409.11215	0.2
427.21667	0.2
445.22180	0.3
571.09735	0.2
642.26886	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.4413
Annotation	Unknow
Peak:m/z	Relative Intensity
51.51227	2.7
53.03939	6.8
55.01857	11.2
55.05511	62.5
57.03417	14.9
57.07059	9.0
59.05003	2.9
67.05505	88.1
69.03413	14.1
69.07069	44.5
71.04987	12.5
71.08613	5.3
71.52265	3.0
72.08144	11.0
79.05490	77.5
81.03403	7.4
81.07053	74.7
83.04973	10.8
83.08617	28.5
85.06507	4.8
89.06020	4.8
91.05482	70.9
93.06493	4.0
93.07046	67.9
95.04968	15.7
95.08608	42.3
97.02869	5.9
97.06522	11.6
97.10167	38.7
105.07026	63.9
107.04934	11.2
107.08591	46.4
109.06483	6.1
109.10151	30.2
111.08083	7.3
113.09564	3.3
117.07027	35.8
119.07713	3.5
119.08577	60.4
121.06483	5.0
121.10137	24.6
123.08054	5.9
123.11713	10.3
125.09618	32.2
128.06174	7.6
129.06996	21.5
131.08548	39.8
133.10121	39.7
135.08028	10.4
135.11694	17.1
137.09612	6.9
141.06989	6.4
142.07803	6.0
143.08536	27.5
145.10117	35.1
147.08034	7.2
147.11688	30.4
149.09631	8.7
149.13257	9.5
151.11180	4.9
153.09074	3.9
153.12708	4.8
155.08481	15.8
156.09337	3.4
157.10118	21.2
159.08002	3.8
159.11685	28.1
161.13297	22.6
163.11186	6.3
163.14865	5.4
167.08583	6.9
169.10091	12.0
171.11659	20.8
173.11868	4.7
173.13258	12.2
175.11211	3.9
175.14769	5.2
179.08554	5.4
179.14285	3.5
181.10086	8.9
182.69508	3.7
183.11682	13.1
185.13194	16.3
187.11224	4.2
187.14789	7.0
189.11169	19.0
189.12732	6.2
195.11713	6.1
197.13251	11.4
199.14746	7.8
201.16460	3.9
207.11687	3.9
209.13181	7.5
211.14784	8.1
213.16472	5.3
223.13232	14.4
225.16272	6.2
227.12761	30.6
227.17859	3.8
239.17964	7.4
241.19510	22.7
259.20547	43.7
273.18442	11.7
275.19989	11.8
277.21686	5.3
278.21942	5.1
285.22122	4.5
289.18036	5.2
291.19568	89.1
293.21185	4.9
294.21347	3.4
295.22641	7.5
296.23010	6.2
315.23358	4.0
333.24280	31.9
336.92014	3.2
347.22202	4.5
349.23428	5.9
363.26547	7.7
365.23227	33.3
379.29907	7.9
381.27814	5.6
397.30692	6.0
469.32501	3.7
513.36572	4.6
525.35559	5.4
529.35077	11.3
531.37988	8.2
543.36761	5.0
549.39185	9.0
550.25989	4.5
591.25848	3.5
605.42291	19.1
623.28253	14.3
623.42981	100.0
624.49878	6.9
641.41333	77.0
641.53015	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	641.2972
Annotation	Crooksiine
Peak:m/z	Relative Intensity
55.01865	2.1
55.05507	5.9
67.05508	10.4
69.07076	5.1
69.25494	5.3
69.25890	15.8
79.05496	7.0
79.08844	1.6
81.07057	11.1
82.89364	1.6
83.08624	1.9
86.50568	1.4
88.12009	1.5
91.05473	9.2
93.07063	8.0
94.87794	1.5
95.04967	2.8
95.08596	5.4
97.06548	5.2
97.10187	1.9
105.07030	6.1
107.04981	2.7
107.08628	5.0
109.06525	2.2
109.10173	3.5
117.07029	3.9
119.08609	5.6
121.10177	4.5
123.08109	1.7
131.08601	3.0
132.05716	1.7
133.10144	7.2
135.11690	2.1
145.10132	5.6
147.11717	5.1
149.09641	3.3
159.11670	3.9
161.13306	4.0
173.13336	2.8
211.12207	2.2
213.94031	2.0
225.13966	2.0
239.15433	2.9
259.20660	2.1
275.20090	10.0
290.16425	1.8
291.19827	1.7
319.16830	2.8
344.17426	2.0
349.23801	4.8
365.23102	1.9
374.18289	2.1
384.17056	2.7
392.19788	4.5
393.20505	2.0
406.21384	2.4
407.21918	5.3
419.22189	2.3
421.23651	6.8
422.24588	8.0
433.24149	2.4
434.24442	6.6
444.19482	5.2
463.21445	10.8
475.21130	5.2
476.19537	2.6
477.22769	3.6
491.24600	3.4
494.26712	2.4
495.27783	3.0
518.23810	2.2
523.26697	2.3
545.25293	8.3
547.26996	6.9
549.25073	15.1
549.38361	2.0
550.25409	5.2
563.26337	5.3
576.23602	2.3
579.29785	2.2
591.26172	40.3
605.27362	5.5
609.27100	16.8
623.28717	100.0
623.42511	5.8
624.49902	1.9
641.29401	21.7
641.40295	20.7
641.52710	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	641.2974
Annotation	Crooksiine
Peak:m/z	Relative Intensity
55.05519	0.9
59.45412	0.4
65.20441	0.3
67.05511	2.5
68.69270	0.3
69.07085	0.8
71.05003	0.5
71.37536	0.8
79.05501	2.4
80.75376	0.3
81.07070	1.9
83.04989	0.5
83.08636	0.6
91.05495	2.0
93.07058	1.5
95.04978	0.7
95.08653	0.8
97.06529	1.1
97.10191	0.4
105.07045	1.7
105.48829	0.5
107.04961	0.5
107.08604	1.5
109.06516	0.5
109.10168	0.9
111.08097	0.4
117.07032	0.6
119.08603	1.0
119.28030	0.3
120.04358	0.3
121.10181	0.7
121.57832	0.4
131.08606	1.0
133.10150	0.8
135.08099	0.5
135.11723	0.4
141.07007	0.5
145.10162	1.2
157.10162	0.5
161.13248	0.4
203.82918	0.3
234.85814	0.4
257.19168	0.7
275.20065	1.8
297.04160	0.5
349.23737	0.9
377.17838	0.5
378.18619	0.5
379.19492	0.6
391.19385	1.0
392.20398	1.0
393.20703	1.8
394.22223	0.4
405.16742	2.1
405.21637	0.6
406.17780	1.3
407.18445	1.0
407.22839	4.3
408.23572	0.5
419.18338	2.9
420.19467	1.4
421.16199	0.4
421.20370	4.6
423.21860	1.1
433.20239	4.1
434.21106	3.8
435.22153	6.4
436.22549	1.2
447.21765	1.4
448.18338	0.6
449.19632	7.7
461.23657	0.8
462.20520	0.5
463.21423	2.7
464.22311	2.2
467.24487	0.6
477.23199	0.6
479.20383	0.6
479.25555	0.5
481.22348	2.1
491.24637	0.4
493.21591	2.0
494.23178	2.9
495.23935	3.4
507.24503	1.6
508.24533	0.5
521.25739	9.4
522.26465	0.6
523.26941	0.6
526.25897	0.4
535.22772	0.7
539.22876	0.8
543.37384	0.4
549.24963	1.0
551.26434	0.4
553.23761	0.9
563.26331	0.9
569.14722	0.5
581.27618	19.8
582.27808	0.7
609.26477	0.6
613.30151	0.7
617.68994	0.4
623.43152	1.0
641.29730	100.0
642.29858	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	641.2807
Annotation	Unknow
Peak:m/z	Relative Intensity
51.89644	0.2
53.03931	0.3
55.01856	0.3
55.05502	0.8
56.04300	0.2
57.03431	0.3
61.02903	0.3
65.03940	0.6
67.05493	1.0
69.03429	1.3
69.07062	1.2
70.06573	0.6
71.05006	0.6
71.52943	0.5
79.05482	0.8
81.03412	1.0
81.07056	1.8
83.04967	1.0
83.06096	0.3
85.02896	1.0
85.06538	1.0
89.03897	0.3
91.05480	1.3
93.07044	2.0
95.04955	0.6
95.08607	2.1
97.02890	100.0
97.06529	1.2
97.10161	0.3
98.03225	0.6
99.08086	2.1
105.07029	1.4
107.04965	0.8
107.08590	3.2
109.06502	1.4
109.10126	1.7
110.07216	0.3
111.04433	0.6
111.08041	0.4
117.03378	0.9
119.04926	0.3
119.08588	0.9
121.02863	13.8
121.06515	2.2
121.10149	3.3
123.04411	0.6
123.08083	1.5
123.11687	0.6
125.09653	0.8
130.94760	0.3
131.04927	0.4
131.08572	1.4
133.02875	0.7
133.10141	2.2
135.04416	0.7
135.08052	0.9
135.11691	0.6
136.07690	0.3
137.02319	0.5
137.06013	0.7
137.09639	0.8
139.03937	0.8
145.02837	2.4
145.10100	0.6
147.04434	0.9
147.11667	0.5
149.09621	5.2
149.10741	0.3
149.13235	1.7
151.03850	2.0
151.07559	0.3
151.11191	2.2
153.09082	0.8
163.03925	2.3
163.11275	0.3
163.14816	2.8
164.04268	0.3
164.07004	0.6
167.03423	0.4
167.07100	0.5
173.13268	2.4
175.03909	0.7
177.05470	5.6
177.06900	0.5
181.05019	0.6
191.07141	0.3
191.14319	6.5
199.03923	0.3
207.06520	0.8
209.15366	16.0
217.04959	10.6
217.07039	0.5
224.56041	0.3
227.16440	1.3
235.05989	6.8
246.08873	0.9
253.07072	4.3
259.09851	0.4
271.13147	0.3
285.04001	0.3
297.03836	0.4
303.10864	3.2
376.35217	0.3
397.11389	0.3
399.12521	0.6
431.15231	1.0
568.57617	0.3
639.85663	0.3
641.21674	0.4
641.37726	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	641.2807
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	0.3
55.01870	0.5
55.05506	1.8
57.07077	0.7
59.05014	0.7
63.19725	0.3
67.05507	4.3
69.03436	1.9
69.07070	3.7
69.34018	1.6
69.34435	0.6
70.06587	0.3
71.04994	0.9
79.05483	0.9
81.03419	0.7
81.07056	4.6
83.04987	2.7
83.08611	2.2
85.06551	1.0
87.08133	0.3
91.05463	1.2
93.07069	2.1
95.04994	0.4
95.08614	9.0
97.02895	100.0
97.10173	0.4
98.03220	0.4
99.08089	0.7
105.07011	1.7
107.08598	7.0
109.02910	0.5
109.06512	2.7
109.10160	29.4
111.04460	0.3
111.08076	1.1
113.09668	0.5
119.08583	11.2
121.02872	0.5
121.10146	3.8
123.04491	0.3
123.08082	3.5
123.11729	2.4
125.09637	0.5
127.03924	0.5
127.11198	0.4
131.04959	0.5
131.08595	0.3
133.10133	5.9
135.11694	31.3
136.12086	0.4
137.02345	16.4
137.03333	0.7
137.09625	4.5
139.11183	1.0
145.02870	0.3
145.10135	0.4
147.04402	0.6
147.11665	0.4
149.02377	1.3
149.13251	2.0
151.11203	1.9
151.14812	2.9
153.12755	1.2
163.03946	0.7
165.16412	0.9
167.03381	2.1
175.03992	0.3
175.14824	14.5
176.15210	0.3
177.05453	1.2
181.04945	0.3
189.05261	1.5
193.15886	23.9
205.04950	1.9
211.16936	34.6
233.02115	0.6
233.04465	12.4
249.80598	0.3
251.02965	0.4
251.05496	4.4
257.04645	0.3
269.06577	4.8
294.61621	0.3
297.03830	0.5
373.22281	0.6
413.10721	0.5
489.09671	0.4
641.25323	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	641.1501
Annotation	Unknow
Peak:m/z	Relative Intensity
56.92691	0.2
65.03924	0.2
69.03412	0.5
69.31136	1.9
70.06563	0.5
72.08131	0.3
81.03408	0.3
83.04951	0.3
84.08145	0.3
85.02872	0.9
91.05447	0.8
97.02914	1.2
98.97560	0.3
107.08569	0.3
109.02832	0.2
111.04452	0.3
119.04900	1.0
121.02840	0.2
123.03584	0.4
123.04433	4.7
125.59361	0.2
129.37781	0.2
137.05989	0.3
139.03838	0.3
139.05417	0.2
142.08606	0.3
145.02834	0.4
147.04376	2.7
163.03906	1.6
165.05489	0.3
175.03926	0.6
185.06027	0.3
189.05328	0.3
191.03394	0.4
195.04434	0.5
199.03926	0.5
199.34749	0.3
203.03430	0.4
207.06548	1.0
213.05470	5.3
217.04988	0.7
223.03917	0.7
227.03300	0.6
241.04956	5.3
243.06485	1.5
255.06552	0.6
257.04498	0.4
259.06021	3.1
269.04434	17.3
270.05002	0.4
271.06024	11.0
272.06638	0.3
281.04517	0.5
283.06018	0.6
285.03903	1.3
293.04617	0.3
297.03931	100.0
298.04480	1.0
299.05429	0.5
301.07043	1.2
303.05078	0.3
309.03897	2.8
311.05505	1.0
315.04831	0.3
317.06610	1.0
322.04785	0.3
325.06912	0.3
327.04971	3.7
331.00006	0.3
339.05005	0.8
387.08484	0.3
403.08209	0.3
405.09879	0.3
413.06461	0.4
423.10742	1.7
431.07556	4.2
443.09811	0.6
449.08658	7.0
467.09805	0.7
489.10297	26.6
595.14612	0.5
623.13965	0.6
641.14966	27.3
642.15192	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	640.5145
Annotation	Unknow
Peak:m/z	Relative Intensity
51.60968	1.1
53.03946	2.0
55.01876	3.0
55.05513	24.9
56.48607	1.1
57.03435	5.6
57.06833	1.3
57.07078	15.6
59.04976	1.6
67.05504	22.7
69.03422	1.8
69.07068	8.8
69.15452	3.7
69.15870	7.2
70.06605	5.1
70.06918	1.0
71.04979	2.1
71.08299	1.1
71.08633	12.0
79.05490	20.8
81.06592	1.4
81.07056	19.2
83.04958	2.9
83.08617	17.3
85.10186	7.8
88.54591	1.0
91.05477	9.8
93.07027	12.5
93.80350	1.1
95.04956	1.7
95.08606	13.6
97.10165	32.9
99.12359	1.1
105.07033	10.3
107.04939	2.3
107.08588	27.7
109.01603	1.1
109.06495	1.8
109.10138	9.5
111.08066	2.0
117.06984	5.6
119.08586	7.2
121.10126	3.5
123.11703	2.3
125.09628	30.7
129.07045	1.7
131.08543	3.9
133.10132	6.0
135.08034	2.8
135.11688	2.5
139.94469	1.0
143.08591	1.4
145.10149	8.1
147.11688	4.3
149.09579	2.5
150.29793	1.1
159.11646	3.4
169.09943	1.0
171.10184	3.0
171.11626	1.4
173.11758	1.2
173.13211	1.2
183.11736	1.2
185.13177	1.8
189.11192	15.8
203.14259	2.0
219.17401	1.5
227.12772	100.0
239.18011	1.9
257.18887	5.4
275.20053	20.4
293.21136	1.1
313.27359	38.9
331.22693	4.5
349.23724	24.2
349.28040	1.2
397.23828	1.1
414.31696	1.2
483.36792	8.3
505.38562	2.2
582.43530	4.3
587.46729	22.4
599.23010	1.1
605.47565	2.3
640.50293	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	640.5148
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.8
55.01873	4.4
55.05308	1.5
55.05519	18.3
57.03440	13.5
57.07080	50.0
67.05509	53.1
69.03423	3.1
69.07078	29.2
71.01220	3.9
71.04979	4.6
71.08637	35.7
79.05495	37.5
81.03427	4.4
81.07063	66.1
83.04977	8.2
83.08625	17.5
85.06529	2.0
85.10188	20.0
89.06024	3.4
91.05488	34.2
93.06480	3.0
93.07048	43.5
95.04982	10.8
95.08611	53.3
97.06532	7.4
97.10177	8.9
99.08131	1.8
103.75697	1.6
105.07034	23.2
107.04945	3.2
107.08607	25.9
107.34917	1.6
109.06509	3.9
109.10153	19.3
111.08099	3.7
117.07014	12.3
119.08588	19.9
121.06502	3.3
121.10133	13.0
123.08072	4.7
123.11720	9.2
125.09626	1.8
129.07033	3.9
131.08569	15.2
133.10138	19.4
135.08051	4.5
135.11696	12.8
137.09599	2.4
137.13271	3.5
143.08559	3.4
145.10146	11.7
147.11674	6.4
149.09616	7.0
149.13266	7.7
151.11191	3.1
157.10107	3.6
159.11716	12.0
161.13255	3.7
163.11232	5.5
171.11711	2.2
173.09647	2.1
173.13243	4.0
177.12793	4.3
179.01949	1.8
181.12285	2.3
183.11618	2.9
187.11392	1.8
195.13838	4.1
199.14879	2.8
217.15889	3.0
235.16966	1.8
239.18094	2.2
239.23769	5.1
247.20750	3.2
255.15910	15.9
257.18933	7.4
267.15961	2.1
269.17465	21.7
275.20081	30.5
291.19568	2.4
293.21112	3.6
313.27365	95.6
331.22711	2.9
349.23721	17.7
367.24759	3.9
444.64429	1.7
493.38815	17.7
507.40475	100.0
547.43781	7.9
572.67285	1.9
587.46619	18.6
605.47626	5.1
641.25085	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	640.2599
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02385	0.7
53.25055	0.5
55.01865	0.8
55.05511	2.0
55.74706	0.5
57.03424	0.8
65.03952	4.2
67.05502	4.5
69.03423	2.1
69.07063	1.6
69.81800	2.9
70.06576	0.7
71.05000	0.6
79.05482	3.9
81.03420	3.4
81.07062	4.2
82.07372	1.2
83.08630	1.1
85.02922	1.2
91.05482	3.7
93.03398	4.0
93.07051	2.3
95.04980	2.1
95.08621	2.6
97.02894	100.0
97.06513	0.9
97.10192	1.3
98.97591	0.6
105.07047	1.9
107.04963	1.1
107.08639	1.8
109.02860	1.3
109.10169	1.6
111.04445	0.8
117.07050	0.9
119.04982	1.0
119.08593	1.4
121.02882	2.0
121.06535	1.0
121.10143	1.5
123.04466	1.7
125.02347	1.1
125.09657	0.7
129.07018	1.4
130.04123	1.2
131.08582	0.7
133.06491	0.8
133.10144	1.1
133.84964	0.6
135.04436	1.6
136.06161	0.7
139.03915	2.2
147.04440	2.6
149.02353	6.4
150.06799	0.7
150.10043	0.6
150.51294	0.6
153.05495	2.1
154.06223	3.2
159.08167	1.1
161.05997	1.3
162.06773	4.6
163.03905	5.7
163.07552	1.1
167.03410	36.2
168.07838	3.6
169.08669	3.2
175.03864	3.3
176.04715	2.0
177.05457	1.7
178.06253	4.6
180.94217	0.7
185.06129	0.6
187.07539	1.3
189.05472	1.5
190.06258	14.5
191.03426	3.7
191.07056	2.3
193.08604	12.2
193.12285	0.7
195.06493	3.2
200.08344	0.6
201.09058	1.3
202.09914	4.6
206.05779	6.9
212.06448	0.6
212.08345	2.1
213.05620	1.2
215.07135	1.4
217.08577	1.4
221.08096	87.9
226.29308	0.6
228.07848	0.6
232.11011	0.7
233.08098	2.1
233.11703	4.5
243.10170	5.5
256.07233	0.9
258.08908	1.8
259.09641	1.7
261.11322	2.8
267.08853	0.6
271.09683	5.1
289.10745	17.7
317.10190	6.1
335.11267	26.4
353.12335	5.8
460.27756	2.6
460.51215	0.7
478.28821	2.2
622.33258	1.1
640.31543	1.4
641.30890	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	640.2602
Annotation	Unknow
Peak:m/z	Relative Intensity
51.21807	0.2
53.03926	0.3
55.01868	0.5
55.05512	1.2
57.03432	0.4
61.02917	0.5
65.03935	1.1
67.05508	2.1
69.03421	0.9
69.07059	0.8
70.06594	0.5
71.04995	0.4
71.52998	0.4
72.54861	0.2
79.05499	1.3
81.03430	1.6
81.07059	1.8
83.04969	0.9
83.08630	0.5
85.02895	0.7
85.06551	0.3
91.05486	2.7
93.03409	0.5
93.07058	1.4
95.04975	1.1
95.08619	1.0
97.02895	32.2
97.06508	0.7
97.10165	0.7
99.04474	0.3
102.04651	0.3
103.05496	0.5
105.03426	0.5
105.07031	1.4
107.04948	1.0
107.08602	1.0
108.08912	0.3
109.02858	0.4
109.06500	0.4
109.10156	1.2
111.00819	0.3
111.08143	0.2
115.05493	0.4
116.07020	0.3
117.07022	0.4
119.04961	0.9
119.08590	1.0
121.02850	0.4
121.06493	0.7
121.10135	0.8
123.04421	0.5
123.08054	0.6
125.09682	0.5
127.03896	0.3
128.06207	0.6
129.07016	0.5
130.04149	0.9
131.04942	0.7
131.08557	0.7
133.02824	0.2
133.06487	0.8
133.10130	0.6
135.04408	2.2
135.08009	0.3
135.11694	0.6
137.06055	0.3
137.09671	0.3
138.95650	0.3
139.03899	0.6
145.10136	0.3
146.03674	0.4
147.04433	3.8
147.08119	0.3
147.11734	0.5
148.05261	0.4
149.02402	1.7
149.05965	0.8
149.09634	0.4
150.06714	0.5
153.05519	0.4
154.06232	0.7
157.10092	0.4
159.04425	0.5
159.08075	0.3
160.05220	1.3
161.05997	1.7
162.06775	5.0
163.03932	4.3
163.07547	1.2
163.11206	0.5
165.09230	0.3
167.03415	12.6
167.07115	0.5
168.07809	1.0
169.08636	1.3
173.09657	0.4
173.13211	0.2
174.03180	0.6
174.06790	0.5
175.03908	3.1
175.07578	0.4
176.04713	1.4
176.08290	1.8
177.05482	1.2
178.06259	5.4
187.07677	0.3
188.04721	0.7
189.05447	1.9
190.06258	17.2
191.03407	4.4
191.07018	1.6
192.04088	0.4
193.08615	10.9
195.06577	1.3
200.04723	0.5
201.09221	0.3
202.09857	0.6
203.14316	0.3
205.08585	0.4
206.05754	6.4
207.10208	2.5
211.13370	0.5
213.05408	0.5
218.05687	0.9
218.09370	0.4
219.06546	0.5
219.10301	0.5
221.08098	100.0
222.08505	0.4
228.07700	0.4
229.14288	0.7
233.08086	8.6
233.11565	1.4
235.09554	0.4
237.07573	0.4
243.10162	1.4
256.07480	0.5
256.52600	0.3
258.09039	0.4
259.05997	0.3
259.09647	0.7
261.11237	1.1
263.09091	0.9
267.15912	0.5
271.09628	1.2
271.12195	0.3
289.10721	6.8
311.12830	0.5
317.10211	9.3
335.11258	11.4
336.11237	0.3
353.12262	3.8
425.25262	0.5
460.27679	0.9
460.36081	0.3
475.77759	0.3
478.28802	0.6
590.33331	0.4
622.31915	0.5
640.33533	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.2814
Annotation	Cryptophycin 46
Peak:m/z	Relative Intensity
55.05517	1.1
69.36065	2.8
69.36494	3.9
79.05501	1.3
81.07071	1.7
85.21935	0.8
93.07046	1.3
95.08616	1.2
105.07063	0.9
139.33286	0.7
140.68234	0.8
215.61420	0.7
258.45425	1.0
326.16489	1.0
377.17914	1.1
389.17819	1.3
390.18280	1.3
391.19101	4.7
392.20114	2.3
393.20944	1.2
403.19699	1.0
404.20615	1.5
405.20792	7.9
406.21506	4.1
407.22287	10.7
419.22424	4.8
420.23111	3.6
421.23856	16.5
422.24661	2.3
433.24295	5.2
434.24820	1.2
435.18430	1.8
435.25394	1.6
436.18729	1.4
445.20755	1.2
447.26205	1.1
449.19461	1.1
449.27042	1.0
450.20520	1.0
451.21265	12.6
452.22000	2.9
457.17422	0.8
460.22849	0.8
463.21136	1.2
464.22113	1.2
465.22870	16.2
466.23404	2.1
475.25623	1.1
477.22937	1.6
478.23325	1.1
479.24329	1.2
487.21304	2.8
488.22165	1.6
492.25708	0.9
493.25827	2.0
501.22952	1.6
503.24454	14.1
505.22314	1.2
507.27570	10.1
508.27969	3.8
523.23376	2.9
533.25684	1.2
535.27094	12.9
537.24945	10.2
551.26593	5.0
552.27405	15.7
561.24927	2.6
562.26312	1.1
579.25806	8.2
580.26697	2.9
593.27338	1.2
595.29053	5.1
621.27136	16.3
639.28137	100.0
640.28748	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	639.1497
Annotation	Unknow
Peak:m/z	Relative Intensity
54.54595	0.5
56.96532	0.6
70.03907	0.6
70.06585	1.6
71.51860	0.7
71.52286	0.7
74.02431	1.1
78.28230	0.5
81.43514	0.6
89.03889	2.8
91.05464	0.8
98.97578	0.7
107.04974	1.1
115.04221	0.6
116.07092	0.9
117.03387	5.5
118.06550	10.7
119.22960	0.6
122.30222	0.6
123.04432	0.6
125.61658	0.6
130.06494	1.2
132.08061	3.8
135.04424	9.1
142.06529	1.4
143.07320	1.5
144.08095	9.9
145.02859	8.3
146.06012	46.4
159.09172	4.4
159.65222	0.5
160.07570	1.1
163.03909	100.0
164.04277	1.8
170.05966	3.5
175.11911	2.7
188.07074	79.5
189.07407	1.0
205.09732	39.0
240.48663	0.6
285.05487	2.8
300.38559	0.7
309.65918	0.6
355.10349	1.4
399.85077	0.6
489.14307	0.6
532.35101	0.6
563.23877	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.3222
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	15.0
55.01889	13.8
55.05517	35.0
57.03442	16.6
59.05009	3.5
61.02930	5.2
65.03941	9.1
67.05508	86.2
69.03434	30.2
69.07069	17.8
71.01363	3.4
71.05006	15.1
71.52191	3.7
73.02919	5.6
79.05497	53.0
81.03423	100.0
81.07065	59.5
82.07374	2.8
83.04979	24.8
83.08633	21.1
85.02908	31.8
85.06541	4.7
91.05488	50.5
93.07047	52.6
95.04970	45.9
95.08622	36.0
97.02896	27.9
97.06524	10.9
97.10182	18.7
98.18684	2.7
99.04467	9.2
101.02367	3.0
103.05447	2.8
105.07034	36.4
107.04967	33.9
107.08601	34.6
109.02880	23.6
109.06495	12.6
109.10170	48.5
110.10488	5.6
111.04442	17.5
111.08103	12.3
115.05522	5.0
117.07008	16.5
119.05003	4.0
119.08587	27.9
121.02857	15.0
121.06499	16.0
121.10162	16.4
123.04440	17.0
123.08103	6.6
123.11688	3.0
125.09648	17.8
127.03942	14.1
128.06245	5.4
129.07025	18.3
130.07874	3.1
131.04926	9.8
131.08566	15.8
133.06514	7.6
133.10159	15.7
135.04446	12.8
135.08073	8.0
135.11713	26.7
137.06009	5.0
137.09692	3.1
139.03931	4.2
141.06963	5.5
143.08578	7.3
145.06519	12.5
145.10107	27.1
147.04393	7.4
147.08073	8.8
147.11673	14.3
149.05989	4.4
149.09651	7.9
151.03955	3.4
153.12784	7.1
155.08580	7.1
155.10683	2.9
157.10110	14.0
159.08072	5.5
159.11758	6.7
161.05959	7.0
161.09631	3.7
163.03944	8.5
163.07512	3.9
163.11191	40.8
165.09102	3.4
165.12744	4.7
171.08084	6.1
171.10202	3.6
171.11644	4.1
173.04504	11.7
173.05875	4.4
173.09601	6.5
173.11751	10.0
173.13185	4.6
175.11168	14.1
181.12294	9.3
183.11696	3.3
185.09570	5.1
187.07602	5.3
189.05544	5.2
189.09097	3.6
189.11223	8.3
189.12733	3.4
191.10612	4.4
193.12253	22.7
194.12437	3.3
201.12756	6.3
205.12213	5.0
209.11783	8.1
211.13289	20.8
213.12897	2.9
217.69366	2.7
219.13791	6.7
221.11729	2.8
227.12775	58.6
229.12358	3.8
229.14345	20.5
230.14795	5.4
235.13359	6.1
243.13937	4.9
247.13263	28.3
249.14847	5.7
259.13339	4.7
267.15881	16.6
268.16275	6.5
273.14886	11.3
283.15521	7.9
285.17072	4.1
289.14322	9.0
301.14365	10.7
307.15344	2.9
319.15515	4.6
321.17123	5.8
327.16052	6.2
337.16339	3.4
345.16229	4.1
353.15817	6.1
355.17538	3.6
373.09827	3.0
375.18192	3.3
383.22028	6.7
401.23138	3.9
403.24924	3.7
411.19815	5.2
421.25873	10.5
422.26160	8.1
439.26715	5.2
440.27304	19.1
457.25751	10.9
475.26834	39.9
493.27960	5.1
499.26855	3.2
517.27991	4.2
551.89392	2.9
571.02911	3.0
583.29016	3.7
601.30042	8.8
619.31232	27.8
637.32166	74.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.3205
Annotation	Unknow
Peak:m/z	Relative Intensity
51.41984	0.4
53.03946	0.9
55.01855	0.7
55.05523	2.4
57.03443	2.3
61.02929	3.2
67.05180	0.8
67.05510	9.7
69.03434	2.7
69.07056	1.4
69.86981	2.1
71.04990	0.5
73.02925	2.2
79.05500	5.1
81.03426	4.3
81.07067	4.5
83.04990	1.6
83.08619	1.7
85.02916	4.4
86.65064	0.5
91.03960	2.4
91.05486	5.0
93.07056	5.4
95.04983	2.0
95.08606	2.6
97.02908	4.8
97.06549	0.9
97.10189	0.9
99.04447	1.3
101.02386	1.1
105.07047	3.2
107.04972	1.3
107.08582	1.8
109.02902	1.3
109.06502	0.9
109.10164	6.1
111.04434	0.7
111.08125	0.5
117.07011	1.2
119.08589	2.5
121.06497	0.7
121.10174	1.5
123.04396	0.9
123.08096	0.7
125.09621	0.9
127.03928	1.9
129.07013	1.6
129.47353	0.5
131.08556	1.5
133.06505	0.6
133.10155	1.2
135.04404	0.5
135.11647	0.8
139.32031	0.4
143.08563	0.9
145.05003	0.6
145.06415	0.5
145.10150	1.3
147.08044	1.1
147.11696	1.8
157.10092	0.5
161.13290	0.7
163.11192	0.8
169.00137	0.5
171.11691	1.4
173.04570	0.5
173.11852	2.2
173.13052	0.5
174.23022	0.5
185.04266	0.9
195.09927	0.5
207.13812	0.8
229.14403	1.5
239.40399	0.6
243.08521	1.8
247.13188	1.5
273.14853	1.0
289.14420	1.0
303.15762	0.7
383.22083	0.8
413.17801	7.3
457.25916	1.9
465.21005	7.0
475.26620	2.6
554.80768	0.5
580.61481	0.6
601.29926	0.6
619.31586	0.7
637.31970	100.0
638.32294	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.3018
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	0.4
57.07074	0.7
59.04997	0.3
67.05497	0.7
69.07069	0.6
71.12065	0.4
71.12403	0.4
79.05482	0.4
81.07062	0.5
85.10168	0.5
88.07234	0.3
91.05493	0.4
93.07026	0.7
95.08615	0.6
95.83917	0.4
109.10172	0.6
140.24821	0.3
196.09949	0.3
249.06389	0.3
299.92810	0.3
309.24106	0.4
313.27429	0.4
379.18893	0.3
400.16971	0.4
401.17526	0.6
402.18710	0.8
403.19360	1.5
405.20908	0.5
406.22006	0.5
407.22290	0.5
415.19437	2.2
416.20520	0.5
417.16275	0.7
417.21518	1.8
418.17380	0.6
419.22665	1.6
420.23123	0.5
429.16904	1.2
429.21600	0.8
430.17319	2.3
431.17963	3.1
432.18817	0.8
432.23810	0.8
433.20200	1.0
443.18277	3.1
444.19037	3.5
445.20148	10.4
446.21381	2.8
447.22049	1.2
457.20474	0.9
458.20950	8.4
459.21811	6.7
460.22760	6.5
461.19632	4.7
462.20401	0.7
465.35834	1.1
471.22006	0.5
472.22781	0.7
473.23489	1.0
475.21396	1.7
476.21829	1.9
477.22650	2.0
489.18549	0.6
489.23746	0.5
490.23590	1.0
491.24472	1.5
504.25458	0.8
505.22226	1.0
517.22595	1.4
518.23035	5.6
521.21783	0.4
530.23151	0.8
531.23663	0.7
532.25073	0.7
533.25494	3.4
535.23071	1.8
545.25513	3.2
546.25940	2.3
547.26715	0.4
549.25305	1.0
562.25311	0.5
573.24933	1.3
577.28516	3.2
590.25140	0.8
590.92767	0.4
592.27173	1.0
605.27594	16.4
606.28406	1.2
637.30200	100.0
638.30603	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	637.3019
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07032	0.8
58.26186	0.3
59.04969	0.4
67.05470	0.4
69.07037	0.5
69.48774	0.9
69.49184	1.3
71.08597	0.5
80.07014	0.3
81.07009	0.5
83.08591	0.3
86.60594	0.3
91.00333	0.3
91.05441	0.3
93.07001	0.6
95.08546	0.3
107.04924	0.4
117.09070	0.4
119.08554	0.4
121.10088	0.5
178.90193	0.3
233.10588	0.3
277.98114	0.3
307.22443	0.4
308.23120	0.3
334.13623	0.4
362.16922	0.3
388.17902	0.7
389.18439	0.7
390.18793	0.6
391.19226	2.2
392.19986	0.8
399.16113	0.9
400.16711	1.4
401.17831	1.2
402.19571	0.7
403.19659	1.0
404.20847	1.2
405.20737	3.8
406.21429	4.2
407.22150	0.4
412.17804	0.6
413.17584	1.3
414.18512	2.0
415.19128	3.8
416.20178	0.5
417.20807	1.3
419.17593	0.4
419.22900	2.1
420.23151	4.0
421.23865	7.1
427.19366	1.2
428.20020	2.3
429.20819	10.6
430.22009	2.0
431.18488	1.3
431.23032	0.9
433.19189	2.3
433.24838	0.9
434.25211	1.6
442.21967	1.6
443.22525	6.4
444.23419	3.8
445.19855	3.1
446.21225	0.7
447.18161	1.6
448.22525	0.4
449.27097	0.4
455.18842	0.6
456.19202	0.4
457.24814	3.9
458.24887	5.2
459.21854	6.5
460.22772	4.3
461.19424	6.9
462.20178	0.7
470.20761	1.1
471.21835	1.2
472.22641	6.8
473.19586	1.7
473.23868	1.2
475.20917	2.4
476.21948	5.1
477.26910	0.7
483.18051	0.6
485.23499	10.9
486.20230	2.1
486.24365	2.2
487.20667	2.2
488.22150	4.2
489.22897	0.9
490.24103	0.6
492.25558	0.4
498.20551	0.6
499.21249	1.2
500.21954	1.9
502.23901	1.1
503.24438	16.1
504.22244	0.5
505.22717	0.6
507.26459	0.4
513.22955	2.6
514.23865	1.5
517.26062	7.4
518.24152	0.4
519.24109	0.5
529.26129	1.6
535.27094	18.7
545.25500	65.5
546.25751	1.5
549.25055	0.7
558.22180	0.5
563.26544	5.0
573.24963	14.3
574.25067	0.4
577.28210	0.8
605.27594	65.7
606.27844	1.5
637.30212	100.0
638.30804	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.2658
Annotation	Unknow
Peak:m/z	Relative Intensity
51.85504	0.2
55.05468	0.3
56.75351	0.2
67.05450	0.8
69.99290	1.1
79.05464	0.6
81.03348	0.3
81.07019	0.6
83.31436	0.3
91.05446	0.3
96.83598	0.3
97.39712	0.2
105.06985	0.3
106.12907	0.3
107.08515	0.3
109.10137	0.4
119.08510	0.4
193.51112	0.3
197.10652	0.3
221.10725	0.5
223.08937	0.3
223.12209	0.4
247.12474	0.3
249.10287	0.5
257.10580	0.4
269.11020	0.3
277.12042	0.3
277.21582	0.5
363.16089	0.4
372.14273	0.3
374.16281	0.4
375.16849	0.3
377.17630	0.9
378.18430	0.7
384.14578	0.5
385.14606	0.8
386.15329	0.9
387.16318	0.9
388.17868	0.7
389.18222	0.4
390.19168	0.3
391.19376	1.5
392.20062	1.0
393.20901	2.0
397.15167	0.4
398.15863	0.5
399.16006	2.1
400.17020	2.4
401.13812	0.3
401.17758	3.2
402.18854	0.8
403.19467	0.6
405.16425	0.4
405.20892	0.9
406.21838	0.7
407.22290	2.9
411.16763	0.3
412.17932	0.6
413.17743	3.3
414.13776	0.3
414.18555	4.3
415.19357	8.0
416.19955	1.0
417.20905	1.2
418.18958	0.3
419.22919	0.5
421.20203	2.3
425.17661	1.1
427.19763	1.6
428.20627	3.4
429.21210	7.5
430.22183	2.0
431.18744	0.9
435.21741	2.1
436.22791	0.4
439.19092	1.0
441.16949	2.0
442.17194	1.7
443.18408	3.9
443.22736	3.4
444.18637	3.7
445.20322	2.4
446.21359	0.5
447.18213	1.1
453.21121	0.4
455.18872	0.6
456.20108	1.6
457.20551	4.5
458.21262	3.5
459.17291	0.4
459.22470	0.5
461.19684	0.5
469.16351	0.6
470.22003	0.4
471.22372	6.2
472.23175	4.4
473.19632	4.0
474.20535	1.2
475.17126	0.5
483.18518	0.5
484.18802	0.8
485.19904	2.7
486.20554	6.3
487.21335	2.5
488.22672	1.3
489.22852	1.1
490.19836	2.6
491.20953	0.3
498.20367	0.4
499.21356	9.9
500.22922	2.9
501.22659	0.5
502.20142	0.7
503.24966	3.8
513.19360	1.0
514.20325	0.9
516.21637	1.5
517.22308	4.0
521.25635	0.4
523.49664	0.3
527.20837	2.8
528.21643	1.2
530.23151	0.6
531.23938	11.9
541.21869	0.4
543.23596	1.4
544.21008	0.4
545.21521	0.7
549.24823	1.0
559.23419	81.0
560.23810	1.4
577.23254	0.4
587.22894	13.6
591.27130	0.3
605.23779	0.8
619.25525	100.0
620.25635	1.8
637.26538	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	637.2658
Annotation	Unknow
Peak:m/z	Relative Intensity
51.58808	0.7
54.83497	0.9
55.05493	2.2
59.04966	0.7
67.05493	3.7
69.07092	1.8
70.91145	0.9
70.91500	1.8
79.05498	1.4
81.07053	1.9
88.66161	0.9
91.05495	1.7
93.07044	2.6
95.04995	1.3
95.08625	2.2
97.10132	1.1
99.08128	0.9
105.07037	1.8
107.08590	2.4
107.27551	0.9
109.10169	2.9
110.97495	0.8
119.08552	1.4
121.10204	1.0
151.11063	1.1
181.27318	0.9
205.12367	0.8
214.79398	0.8
223.12357	0.8
293.21191	1.0
378.18634	1.0
390.18655	1.6
391.19144	2.6
392.20306	1.0
393.20715	3.8
400.16861	2.0
401.17606	2.6
403.19440	1.3
404.16095	0.9
405.21088	1.3
407.22336	4.7
413.17679	2.3
414.18442	3.1
415.19489	5.1
416.19974	1.2
419.18655	2.4
421.20279	3.0
428.20279	2.2
429.21335	5.6
430.21902	1.7
431.18997	1.1
433.20538	1.1
434.21021	1.2
435.21573	4.8
436.22275	1.0
441.17715	1.0
442.17700	1.3
443.22467	3.8
444.19604	3.7
445.20193	2.5
447.17618	1.4
457.20526	2.5
458.21259	2.2
459.17999	1.9
461.19650	1.6
463.20975	1.5
467.19107	1.0
471.22296	5.0
472.22565	1.9
473.19711	3.9
474.20786	1.6
475.22153	1.0
485.19904	4.0
486.20303	5.8
487.21283	3.1
489.18509	2.1
489.23697	1.5
490.20313	2.8
491.20816	1.2
499.21454	8.3
500.21872	3.3
502.19803	1.2
503.20587	2.3
513.18860	5.1
516.21680	1.1
517.22485	12.7
521.25763	2.2
527.20941	2.4
529.22565	2.0
531.24249	10.3
543.24207	1.0
549.24915	8.0
559.23407	56.9
560.23383	1.2
577.24457	1.9
587.23022	10.4
591.26202	3.9
605.24280	5.6
609.27100	1.2
619.25525	62.9
637.26569	100.0
638.26654	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	635.2865
Annotation	Unknow
Peak:m/z	Relative Intensity
54.41253	0.6
57.07063	0.6
67.05500	1.7
69.07074	1.1
71.52455	0.7
74.20726	0.6
74.21326	0.7
78.76533	0.6
79.05497	1.3
81.03393	0.7
81.07067	1.6
83.63802	0.7
91.05497	1.1
93.07043	1.1
95.08601	1.0
105.07026	1.1
107.08607	0.7
117.71486	0.6
119.08686	0.7
143.16354	0.8
389.17609	1.6
403.19232	2.4
404.20233	1.1
405.20743	1.3
415.15393	0.9
417.16513	1.5
417.21725	3.7
418.22018	1.6
419.22281	3.7
429.16522	0.8
430.17908	3.0
431.18097	5.9
431.23715	1.3
432.18750	1.7
432.24036	1.5
433.24197	6.1
443.18594	1.2
444.19501	3.2
445.19986	12.8
446.20819	3.6
447.21832	2.6
458.20996	1.3
459.22037	8.4
460.22702	11.2
461.23520	6.9
473.23273	2.4
477.22675	1.0
488.22000	0.9
489.22998	1.5
492.24603	1.0
505.22565	2.5
518.23346	0.9
519.23688	4.9
531.24170	2.4
546.26465	2.8
547.27130	20.8
575.26190	1.3
577.24628	4.0
591.26001	4.3
605.27802	1.2
606.28448	12.7
607.29218	25.8
634.46930	0.9
635.28656	100.0
636.28796	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.2866
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	0.7
55.01855	0.5
55.05521	3.6
57.07093	0.7
59.05005	0.7
60.63852	0.5
67.05505	4.0
69.07071	3.3
71.08636	0.9
79.05499	5.9
80.05805	0.6
81.03422	0.5
81.07053	4.6
83.04976	1.0
83.08625	2.1
91.05484	4.0
92.05796	0.4
93.07049	5.2
95.04982	2.8
95.08608	2.9
97.06548	1.1
97.10185	0.7
99.94045	0.5
104.94880	0.4
105.07024	4.2
107.04979	2.4
107.08625	2.8
109.06509	0.9
109.10115	1.1
117.07050	1.9
119.08568	3.7
120.80967	0.5
121.10155	3.0
123.08117	0.8
123.11704	0.6
123.32982	0.4
125.09648	0.6
131.08588	1.9
133.10104	2.9
134.10492	0.8
135.08104	2.2
135.11647	0.8
137.09639	1.0
139.11176	1.2
145.10150	1.8
147.11641	1.1
149.09630	1.8
151.11200	0.6
159.11679	0.6
163.11212	1.8
164.11502	0.7
173.13289	0.6
187.11195	0.5
217.14412	2.0
218.14674	0.6
223.12279	0.6
224.13295	0.5
237.13931	0.8
239.18045	0.9
249.13858	0.6
251.16350	0.5
257.19186	1.2
275.20074	9.2
276.20450	3.9
277.21884	0.6
307.22705	4.5
308.23010	2.0
389.17728	0.7
402.18478	0.8
403.19513	2.3
405.20868	1.6
415.15125	0.5
415.20026	0.5
416.15759	0.7
416.20584	1.0
417.16183	0.6
417.21161	3.4
418.21786	1.5
419.22522	1.6
430.17841	1.3
431.18002	4.9
432.19586	1.5
433.24487	2.8
443.18774	0.6
444.19147	0.8
445.20029	6.7
446.21115	1.8
447.21994	1.1
455.18845	0.6
457.20264	0.7
459.17395	1.3
459.22202	2.1
460.22760	3.1
461.23611	3.3
473.19220	0.6
473.23886	0.9
475.21228	1.0
477.22745	0.7
488.21915	2.8
489.22913	5.9
491.24234	0.5
501.22882	1.4
505.22064	0.8
515.24670	1.1
517.22784	0.5
519.24487	0.9
531.36511	0.9
532.24585	1.3
533.21967	0.7
546.23047	0.5
547.27362	8.4
575.26526	22.7
576.26660	0.7
576.88715	0.6
603.25861	1.0
607.29279	1.1
635.28650	100.0
636.29010	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	634.4679
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.5
55.01864	5.5
55.05515	23.2
57.07060	2.0
67.05510	31.6
69.03419	2.8
69.07069	24.9
69.36034	4.1
69.36443	12.0
71.04978	1.9
71.08595	2.8
79.05079	2.5
79.05496	37.3
81.03403	6.7
81.07065	34.0
83.04967	5.7
83.08629	15.7
91.05483	32.3
91.19161	1.8
93.07047	40.7
95.04973	18.3
95.08614	30.2
95.40836	2.1
97.06517	10.0
97.10183	4.7
98.21523	3.4
105.07040	30.6
107.04954	14.4
107.08592	21.4
109.06483	6.8
109.10130	10.0
111.08064	4.9
111.11674	2.2
117.07030	9.1
119.08588	20.5
121.06480	4.6
121.10138	21.1
123.08054	3.9
123.11673	3.2
125.09624	7.1
129.07004	4.0
131.08565	12.9
133.06480	3.1
133.10136	17.9
135.08061	10.5
135.11691	5.5
137.09599	2.7
139.11220	10.8
143.08539	4.4
145.10155	19.4
147.08043	5.4
147.11736	11.0
149.09631	18.0
149.13245	2.3
151.11208	5.0
155.08536	2.9
157.10124	4.8
158.46902	1.9
159.11671	7.8
161.09601	4.1
161.13222	3.6
163.11201	16.4
165.12665	2.8
169.10095	4.8
171.11732	3.9
173.09583	2.6
173.13269	4.8
175.11250	2.7
177.12695	4.1
183.11697	2.8
187.11157	2.9
187.14789	2.7
193.12231	3.1
197.13362	3.9
203.12749	2.9
217.14276	13.0
219.13799	3.5
229.19623	2.6
237.14841	7.6
239.17908	7.9
242.36983	2.0
257.19089	14.4
275.20074	100.0
277.21558	4.8
289.21585	2.7
291.19586	3.9
293.21063	5.3
307.22672	50.0
359.21078	2.3
489.22180	2.3
575.26227	4.1
635.28790	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	633.4129
Annotation	Scaphopetalumate
Peak:m/z	Relative Intensity
51.30704	0.4
55.05517	1.0
63.92886	0.4
64.53021	0.4
67.05499	1.5
69.07063	0.9
69.99474	1.9
71.08627	0.4
79.05483	0.8
81.07063	1.5
82.30568	0.4
83.08612	0.7
89.91456	0.4
91.05493	0.6
93.07062	1.6
95.08624	1.0
98.21468	0.6
103.32117	0.4
105.07027	1.0
107.08604	1.2
109.10145	1.0
111.93517	0.5
121.10162	0.9
131.08575	0.5
135.08119	0.4
145.10123	0.8
147.11713	0.5
157.10075	0.4
160.20515	0.4
177.09239	0.4
187.76143	0.5
251.75014	0.4
269.97156	0.4
335.22006	1.2
407.84412	0.5
462.52161	0.4
633.41266	100.0
634.41718	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	634.3441
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.4
55.01866	1.7
55.05516	4.7
57.03443	6.2
59.05008	1.6
61.02908	1.9
65.03944	1.2
67.05508	43.5
67.50909	0.6
69.03417	1.9
69.07077	3.1
70.06577	0.8
71.04998	1.8
73.02923	1.1
76.97501	0.6
79.05492	9.2
81.03407	2.0
81.07059	11.9
83.04976	1.8
83.08634	7.1
85.02901	3.1
85.06534	1.6
87.99789	0.6
91.03958	1.5
91.05483	4.9
92.50543	0.6
93.07048	16.8
95.04987	3.0
95.08610	17.9
97.02896	3.2
97.06532	2.2
98.21548	1.3
98.51881	0.5
99.04456	2.0
105.07020	3.1
107.04946	3.9
107.08598	13.9
109.06545	1.0
109.10159	47.7
110.10527	0.7
111.08087	2.0
115.80549	0.6
117.07037	4.6
117.54626	0.6
119.08585	7.8
121.06524	3.5
121.10149	5.6
123.04417	0.7
125.06004	1.4
131.08536	0.8
133.10129	1.5
135.08081	1.1
135.10696	1.4
135.11702	22.3
137.09641	3.4
139.07544	0.7
143.08577	0.7
145.10132	12.4
153.12819	0.9
155.10652	4.1
158.67696	0.6
163.03928	1.2
163.11183	32.3
173.11752	13.7
181.12231	6.8
209.11623	0.7
211.13274	2.4
227.12791	34.6
229.14357	68.7
283.15399	34.6
293.13416	0.8
294.91702	0.7
388.36221	0.7
426.22662	0.7
437.25375	100.0
438.26331	0.8
455.78809	0.7
492.21225	1.4
493.21796	2.2
602.27551	0.7
634.40881	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	633.3999
Annotation	Unknow
Peak:m/z	Relative Intensity
51.69637	1.6
52.67075	1.6
53.03928	6.4
54.45676	1.4
55.01866	3.6
55.05519	18.7
57.03426	5.9
57.07067	5.4
59.04995	3.1
63.47749	1.5
65.03937	3.7
67.05510	100.0
69.03091	2.7
69.03436	39.9
69.07073	13.8
71.04977	6.2
71.08578	1.7
71.53656	2.3
79.05497	29.7
81.03431	25.0
81.07059	46.9
81.42835	1.6
83.04958	4.6
83.08622	10.6
85.02892	3.4
85.06523	3.0
91.05481	37.8
93.07045	39.9
95.04971	12.8
95.08614	26.2
97.02888	5.3
97.06525	4.1
97.10162	6.5
99.04408	2.3
99.08078	2.2
103.05411	2.4
105.04589	2.0
105.07037	24.2
107.04939	4.8
107.08609	21.5
109.02858	5.3
109.06506	5.9
109.10162	56.2
111.04449	4.4
111.08064	6.5
115.05406	2.4
117.07017	14.3
119.08577	22.0
121.06483	3.4
121.10145	13.5
123.08057	5.0
123.11726	3.8
125.09615	4.3
127.03870	2.1
128.06232	2.2
129.06960	9.9
131.04918	2.9
131.08578	17.9
133.06427	5.2
133.10162	11.7
134.09642	2.5
135.08034	6.0
135.10451	3.0
135.11697	7.7
136.10812	2.3
137.09604	6.7
141.06979	2.5
143.08580	8.7
145.06441	5.1
145.10159	14.2
147.08049	3.2
147.11682	11.8
149.09613	5.9
149.13297	2.0
151.07550	2.1
151.11339	1.6
155.08563	4.3
155.10654	2.4
156.51028	1.7
157.06529	3.3
157.10098	5.8
157.70341	1.6
159.08017	2.3
159.11691	11.6
161.09660	4.4
161.13193	4.1
163.11205	2.9
167.08583	3.0
169.10110	4.3
171.11679	7.5
173.09590	3.0
173.11700	12.5
173.13245	6.5
175.11185	4.2
179.16116	1.8
181.10239	2.4
183.11742	4.1
185.09631	2.5
185.13222	3.3
189.11243	4.1
189.12798	1.9
191.14337	2.1
197.09497	2.0
197.13292	3.8
199.14883	3.4
213.12727	2.5
217.16008	2.7
227.12724	1.9
229.14331	21.0
241.19640	2.6
245.13737	2.1
259.20654	2.7
276.13785	2.6
277.21652	3.3
283.20511	2.0
289.21674	3.7
301.21582	8.2
319.22775	4.0
327.23111	3.6
351.22995	5.1
355.17514	2.2
359.26044	2.2
369.24249	12.3
374.50305	1.6
375.71466	1.6
387.25363	7.6
405.26291	1.9
443.27914	4.1
449.40604	1.7
461.28925	6.2
489.35876	2.5
529.35071	2.0
589.40155	2.5
597.37537	7.7
603.41113	3.9
615.39136	10.2
633.39893	63.2
639.01605	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	633.292
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	0.9
55.05489	1.4
66.57320	0.8
67.05499	3.5
69.07047	3.9
71.25819	1.2
71.26180	1.4
79.05488	1.7
81.03436	1.1
81.07038	3.0
81.68878	0.9
91.05479	2.6
93.07051	1.1
94.06573	3.9
95.04965	2.1
95.08610	1.6
97.02866	1.6
105.07026	2.5
106.06520	1.5
109.10130	2.2
109.88425	1.0
110.20702	1.1
110.48096	0.8
119.08594	1.4
122.06036	12.0
123.04449	1.0
131.08478	1.0
134.05989	1.7
135.04431	1.6
135.08040	1.2
136.07584	13.9
140.07074	18.9
143.08615	1.0
146.06013	10.4
146.09700	1.1
147.11620	1.0
148.07584	8.7
152.07063	2.7
159.11807	1.0
160.57202	0.9
162.09161	1.5
163.03908	7.6
164.07066	11.0
166.08650	12.8
172.03931	8.0
174.05527	5.5
174.09062	1.5
176.07086	17.2
190.05011	3.9
192.06622	1.1
194.08025	0.9
204.06554	9.3
206.08192	2.4
208.09665	1.3
209.10602	1.1
211.12305	2.7
221.10829	1.1
223.12289	2.3
224.09464	1.1
225.10176	3.0
227.11829	1.4
233.77434	0.8
235.08687	1.3
235.12329	2.6
236.13135	2.2
237.10219	7.9
237.13776	2.1
238.10916	9.9
239.11833	12.3
241.09764	1.6
246.07689	2.2
248.09442	2.4
249.10269	3.2
250.10930	3.4
251.11815	9.9
252.12453	2.4
253.10052	1.1
253.13235	1.9
255.11319	1.6
259.09558	1.4
261.12341	2.7
263.11792	15.3
264.08908	2.2
264.12546	3.0
265.09775	6.4
265.13324	27.5
267.11264	4.3
269.12723	1.8
271.14450	7.7
275.11905	2.0
277.09717	4.8
277.13306	4.0
278.10468	3.2
279.11276	100.0
280.12094	8.8
281.12781	4.6
283.10831	2.9
283.14261	1.6
284.11475	2.5
285.12268	2.9
287.13910	9.8
289.15433	2.8
291.08340	1.0
291.11224	5.1
292.12024	2.5
293.12836	7.9
294.13443	2.0
295.10651	3.9
295.14273	2.4
296.11578	4.0
297.12347	57.5
298.13147	7.7
299.13681	1.1
309.12347	37.0
310.13116	18.4
311.13794	5.2
313.11761	8.9
319.10849	4.2
321.12363	8.4
323.13821	1.4
324.10953	2.7
325.11758	4.3
331.12836	3.7
337.11832	59.1
338.12628	21.5
339.13412	68.4
340.13889	3.6
345.14307	4.3
367.13062	1.4
369.14450	13.4
370.15192	2.8
371.16061	34.6
385.14014	2.1
392.19415	1.4
400.16632	2.8
418.17587	2.5
424.17081	1.4
438.19998	3.9
442.17651	3.9
450.20306	1.5
460.18692	63.9
461.19415	1.6
464.17963	2.0
465.19028	1.5
466.19727	2.5
478.19781	52.5
479.20270	3.5
480.21298	10.7
492.21225	1.1
496.20337	2.7
510.22354	23.2
511.22888	1.6
582.94067	1.2
583.25415	4.1
601.26544	69.6
633.28876	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	632.3641
Annotation	Unknow
Peak:m/z	Relative Intensity
50.57408	0.8
51.02365	0.9
53.03938	2.4
55.01865	1.0
55.05512	5.6
56.96565	1.1
57.03439	5.1
59.05000	1.7
61.02925	1.8
65.03925	1.0
67.05508	44.1
69.03426	1.7
69.07055	3.4
71.04976	1.1
71.52222	1.5
73.02915	0.8
74.09681	1.0
77.03928	1.1
79.05495	18.0
81.03414	3.7
81.07063	14.9
83.04984	4.4
83.08631	4.7
85.02892	1.8
85.06539	1.9
91.03942	1.8
91.05489	17.5
93.07045	19.2
95.04987	6.2
95.08614	9.5
97.02898	2.2
97.06522	2.2
97.10152	1.0
105.04530	1.1
105.07031	10.7
107.04967	1.6
107.08604	5.7
109.06544	2.0
109.10155	33.1
111.08090	1.2
117.07008	2.7
119.08581	9.7
121.06516	1.4
121.10139	1.3
123.08082	1.4
128.06233	1.0
129.07030	4.8
131.08528	1.4
133.10126	3.3
137.09607	1.8
139.03923	2.1
143.08560	2.6
145.10156	2.9
147.11690	10.1
155.10649	1.9
161.09647	0.9
161.13263	3.1
171.11705	6.8
173.11746	6.5
189.12732	3.1
207.13782	9.3
229.07304	1.1
229.14342	25.4
238.20979	0.8
240.31036	0.9
281.17505	25.0
391.20126	1.1
423.23569	1.4
424.23837	2.6
435.27444	100.0
436.27875	1.0
531.29559	1.2
579.31580	1.2
632.32593	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	631.3305
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.4
55.01870	0.3
55.05505	0.5
55.70921	0.3
56.96565	0.5
62.86891	0.3
67.05507	1.6
69.03426	0.9
69.07052	0.8
70.06592	0.7
71.05009	0.4
71.52602	0.4
72.08169	0.3
79.05498	1.4
81.03419	0.7
81.07064	1.4
83.04956	0.4
83.08636	0.3
84.08192	0.4
85.02908	0.9
89.03899	0.4
91.05474	1.6
93.07042	1.8
95.04958	0.7
95.06567	0.3
95.08624	0.8
97.02893	1.2
97.06522	2.1
98.97593	0.4
99.04375	0.3
105.07043	1.1
107.04939	0.5
107.08577	1.9
109.02827	0.4
109.06550	0.8
109.10161	1.0
111.08097	0.4
115.05463	0.3
119.04929	0.7
119.08591	0.6
121.06494	0.5
121.10126	0.9
122.06021	1.2
123.04426	2.3
123.05200	0.3
123.08083	0.3
123.11711	0.4
133.10175	0.5
135.04385	0.7
135.11731	0.4
137.06001	0.4
139.03868	0.8
140.07088	1.2
143.08478	0.4
145.02856	0.8
146.06029	0.6
147.04427	1.2
147.11685	0.5
149.09644	0.5
151.03912	1.1
151.07484	0.5
153.05527	0.4
155.05948	0.4
157.07462	0.3
157.10086	0.4
161.06088	0.4
163.03897	3.5
163.11183	0.6
165.05515	0.8
165.09146	0.4
167.07051	0.9
170.14246	0.4
172.03954	0.6
174.05489	0.4
175.03928	0.7
177.05467	0.9
181.05020	1.0
203.05307	0.9
204.06665	0.7
206.08139	0.5
207.06592	1.4
208.06886	0.4
211.13396	0.6
215.07059	1.3
219.10193	0.4
225.13387	0.4
227.05199	0.5
227.11906	0.4
237.02745	0.4
243.14549	0.6
245.06352	4.7
251.14967	0.7
255.11407	0.4
257.04541	0.9
259.09714	0.9
267.18155	0.4
271.04254	0.5
273.04053	0.6
277.10858	0.8
283.10889	0.5
285.03900	2.0
287.13971	1.1
289.05307	10.5
303.05133	1.4
313.11844	0.9
317.23233	5.1
319.21149	1.4
327.05182	0.5
331.12708	0.5
335.24313	2.1
345.14655	0.7
347.14890	0.4
347.24329	1.8
353.26035	0.4
365.26578	21.1
383.27600	11.1
398.15274	0.8
399.15790	1.0
400.16766	0.6
407.26593	0.9
418.17642	0.4
425.27451	1.6
435.17993	0.5
453.19296	0.4
458.17004	0.6
459.17642	0.5
463.17258	0.4
527.31598	0.8
545.32953	3.5
569.32837	0.5
587.33899	13.3
596.04645	0.4
599.25183	3.7
613.32385	1.5
631.20587	7.9
631.32971	100.0
632.21381	0.4
632.32947	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	631.3312
Annotation	Unknow
Peak:m/z	Relative Intensity
51.24575	0.4
57.03427	0.4
57.32749	0.4
59.14355	0.3
62.83213	0.4
63.06855	0.4
67.05497	0.7
69.03423	0.8
69.07070	1.4
70.06597	0.6
70.34583	0.3
71.38600	0.8
72.08171	0.6
73.02946	0.5
79.05499	1.7
81.03417	0.9
81.07066	1.9
83.08596	0.4
84.08174	0.4
85.02908	0.9
85.06572	0.5
86.09727	0.6
88.06395	0.4
91.05496	1.7
93.07052	1.7
95.04995	0.8
95.08623	1.1
97.02905	1.4
97.06543	2.4
98.97643	0.6
105.07049	2.1
107.08599	2.3
109.06506	0.6
109.10158	0.9
117.03409	0.6
119.04960	0.7
119.08630	0.7
119.40847	0.4
121.06525	0.6
121.10192	1.1
123.04435	1.9
123.11737	0.5
123.18660	0.4
127.03883	0.4
129.07031	0.5
131.08554	0.4
133.10162	1.0
135.04414	0.9
135.11740	0.7
137.06027	0.5
139.03951	0.9
140.07080	0.8
145.02847	0.9
145.10156	1.2
147.04468	1.2
147.11710	0.6
149.09682	0.5
151.03954	1.4
157.10188	0.6
163.03914	4.4
163.11191	0.9
165.05449	0.7
165.09227	0.7
167.07085	0.9
172.03949	0.4
175.03937	0.5
175.11110	0.4
177.05562	0.7
181.05066	1.3
191.03621	0.4
203.05356	0.9
203.07120	0.5
207.06604	1.0
215.07056	1.2
219.10243	1.1
221.05800	0.4
225.13490	0.4
227.05338	0.6
227.11365	0.4
233.08191	0.5
245.06354	5.3
257.04578	1.4
259.09793	1.1
261.03961	0.6
273.04089	0.8
277.10754	0.7
285.04007	3.8
287.14130	0.7
289.05301	10.4
289.08298	0.7
299.05707	0.7
303.05093	2.3
313.11819	0.7
317.23254	4.0
319.21317	1.2
327.04929	0.5
335.24445	1.8
340.02722	0.5
347.24576	1.2
353.25500	0.4
365.26636	17.3
369.06146	0.7
383.27621	8.9
400.16489	0.5
407.26575	0.6
425.27759	1.4
435.18457	0.5
458.17303	1.1
527.30817	1.2
545.32947	3.4
587.33948	11.8
599.24963	2.2
613.31915	1.2
631.33038	100.0
632.33575	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	631.2764
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	0.8
55.01867	1.0
55.05507	2.1
56.96563	1.5
57.03413	1.3
59.04994	1.3
61.02906	0.8
65.03947	0.9
67.05502	6.9
69.03426	1.9
69.07072	4.2
70.06592	1.9
71.04979	0.9
71.38218	1.3
73.02917	1.2
73.19196	0.8
79.05484	3.2
81.03406	2.1
81.07050	3.3
83.04955	1.6
85.02895	3.5
91.05471	2.7
91.23950	0.9
93.07029	2.9
94.06568	3.9
95.04964	2.0
95.08588	2.0
97.02885	3.0
97.06525	3.1
97.10126	1.1
98.97562	0.9
105.07026	2.8
107.08591	2.1
108.08125	1.7
109.06545	1.2
109.10150	3.3
117.06937	0.7
119.08578	1.6
120.08057	1.1
121.06484	1.0
121.10147	1.2
122.06030	13.5
123.04421	1.9
127.03874	1.1
130.05052	0.9
133.06380	1.0
133.10135	1.2
134.06015	1.2
134.10423	0.8
135.04408	1.5
135.11676	1.2
139.03911	1.7
140.07065	17.3
143.00241	1.2
144.04456	2.3
145.10107	1.7
146.06030	7.5
148.07523	1.0
152.07086	1.6
163.03917	7.9
167.07259	0.8
172.03931	17.6
173.02419	2.0
173.11736	0.8
174.05519	7.2
176.07088	5.0
177.05486	1.5
190.04973	3.4
197.10751	1.1
199.12277	1.0
204.06555	35.0
206.08139	13.1
211.08586	1.1
212.09315	1.0
213.10114	1.3
215.07010	1.4
218.58688	0.8
224.09456	1.4
225.10223	4.9
226.10893	1.0
227.11786	7.9
234.38507	0.8
238.69069	0.8
239.11827	3.1
249.16776	0.8
251.11847	1.8
252.12248	0.8
253.09703	1.7
255.11397	1.1
259.09610	2.4
261.12360	2.0
263.08432	0.8
264.08969	1.4
265.09695	2.4
267.11246	1.2
269.12827	5.4
271.10779	3.7
273.03683	1.5
274.04617	0.8
275.62320	0.8
277.10587	2.4
283.10843	7.3
284.11502	4.2
285.03912	1.9
285.12375	2.8
286.12814	0.8
287.10980	1.3
287.13931	19.4
295.10660	1.4
297.12256	2.3
300.12167	1.2
301.12119	2.3
302.12726	2.3
302.16217	0.9
303.04935	6.1
312.14807	1.5
313.11749	8.8
314.12906	1.9
315.13718	2.1
316.14423	5.4
323.10318	1.6
327.04889	1.6
327.17215	1.4
328.14392	1.8
329.11499	1.5
329.15234	2.0
330.12558	1.0
330.15988	4.9
331.12881	3.2
331.16736	5.5
342.12399	4.6
343.13315	2.8
344.13977	1.5
344.17599	5.3
345.14447	23.9
346.14993	1.1
354.16235	0.9
356.13956	3.6
357.14841	1.8
358.15485	6.8
365.23758	1.1
369.05988	1.3
370.11636	0.9
370.15704	2.4
372.16943	2.5
382.11905	2.5
383.12674	2.3
384.13403	10.2
385.14066	3.2
386.14941	3.2
386.19083	1.3
388.16565	2.0
390.18222	4.2
398.14990	10.3
399.15845	19.0
400.16580	29.1
402.14566	1.7
412.16559	1.1
413.16904	1.1
414.18271	5.4
416.16232	2.4
417.16852	5.0
418.17615	5.9
430.17712	3.1
431.18387	2.9
433.16440	0.8
440.15915	2.1
441.16748	1.9
444.15454	1.9
458.17102	23.9
459.17978	9.4
460.18588	1.9
469.26364	1.2
490.19614	4.3
491.20413	2.9
527.28253	1.9
555.26074	1.5
557.23810	1.8
581.23663	3.5
581.35016	2.7
587.24573	1.9
599.25006	100.0
600.25092	2.2
631.27399	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	631.2766
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.7
67.05497	1.9
68.05084	0.7
69.03419	0.8
69.07075	5.4
69.76627	0.6
70.76374	1.5
79.05487	1.0
81.03395	0.7
81.07071	1.3
91.05486	1.4
93.07043	0.9
94.06573	7.1
95.04980	2.4
95.08613	0.9
97.02917	1.7
97.06522	1.2
105.07015	0.9
107.08617	0.8
108.08133	1.7
110.06066	1.1
112.07640	0.8
116.04943	0.9
117.32362	0.6
118.06537	0.9
119.04985	0.6
119.08614	0.7
122.06034	19.2
123.04436	1.2
134.06044	2.0
135.04445	0.8
136.07597	0.9
140.07069	33.9
144.04488	2.3
146.06006	12.8
146.07088	0.8
147.04449	1.2
148.07616	2.3
149.09639	0.9
152.07121	0.8
162.05525	3.1
163.03920	2.8
167.07225	0.6
172.03941	13.4
173.04771	2.6
174.05518	17.0
176.07076	5.4
186.09183	0.6
190.05014	3.1
191.05756	1.4
192.06636	1.7
197.10799	1.8
199.08757	1.0
199.12392	1.5
204.06567	32.2
206.08122	11.0
206.09839	0.8
209.10681	1.0
211.08722	2.2
212.09427	1.2
213.10297	0.7
216.10500	0.7
223.08727	1.3
224.09460	2.3
225.10242	4.7
226.10982	0.9
227.11813	11.8
236.09618	0.6
237.10321	2.0
238.11090	1.8
238.38100	0.7
239.11702	3.6
241.09782	2.3
243.11380	0.9
249.10309	1.4
250.11166	1.0
251.08121	0.9
251.11832	2.6
252.08824	0.7
253.09863	2.7
255.11310	0.9
261.12518	1.4
263.08109	1.0
263.11880	1.7
265.09808	2.4
267.11346	1.9
269.09787	1.2
269.12842	12.4
271.10751	4.3
277.09958	2.1
278.10425	0.9
279.11307	1.8
281.09348	0.8
283.10733	10.3
284.11511	5.0
285.12305	7.0
287.13931	26.4
295.10864	2.0
297.12207	3.2
300.12247	1.4
301.12286	2.5
302.12988	1.3
309.12387	1.9
310.13315	0.8
312.15298	1.0
313.11823	37.9
314.12918	1.8
315.14059	1.3
315.17249	0.7
316.14508	4.8
323.10419	1.4
326.16550	0.8
327.13806	1.4
327.17691	0.7
328.14539	2.2
329.11673	2.7
329.15253	2.6
330.12531	2.5
330.16116	6.6
331.12976	6.6
331.16879	7.1
332.17639	1.5
337.12128	0.9
338.12939	1.1
340.14670	1.8
341.12494	1.3
342.12497	4.6
342.15976	1.0
343.13040	3.2
344.13925	1.6
344.17758	4.7
345.10263	1.0
345.14490	18.1
346.19220	1.0
354.16257	1.0
355.13480	2.0
355.17392	0.8
356.13922	4.1
357.15082	2.3
358.15497	7.2
358.19397	0.6
365.11414	1.1
367.13126	1.1
368.13904	1.2
368.17880	0.9
369.11179	1.3
370.11871	1.8
370.15906	3.6
371.16714	1.1
372.17056	4.0
380.13861	0.7
382.11960	2.7
382.16071	1.4
383.12823	2.7
384.13315	11.2
385.14157	3.8
386.14682	4.6
386.18985	2.0
388.16632	1.7
390.18216	5.0
392.19571	0.6
394.15433	1.1
396.17062	1.0
397.14761	0.8
398.14957	12.4
399.15799	21.0
400.16568	31.0
402.14526	1.7
403.19092	0.9
412.16592	2.4
413.16986	0.7
414.18222	6.2
415.18915	1.8
416.16284	2.0
417.16879	5.7
418.17615	9.0
422.15103	0.9
430.17581	2.6
431.18619	1.7
440.16174	5.1
441.16779	1.0
444.15652	2.1
458.17139	35.3
459.17838	16.5
460.18561	3.3
474.17673	0.7
490.19861	5.9
491.20670	2.3
508.21414	0.8
555.25500	1.4
557.24011	5.1
581.24072	8.5
599.25043	100.0
600.25385	1.3
623.68341	0.7
631.27710	2.0
631.32922	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	631.2762
Annotation	Unknow
Peak:m/z	Relative Intensity
50.08131	0.4
59.53753	0.3
67.05496	2.3
69.07070	3.6
69.69425	2.3
77.03926	0.4
79.05495	0.8
80.05013	0.6
84.04522	0.4
89.03925	0.4
91.05475	0.6
92.04250	0.4
93.05773	0.5
93.07052	0.4
94.06572	5.5
95.04962	1.1
97.02851	0.5
97.06541	0.6
104.04955	0.5
106.06531	0.5
108.08116	1.4
109.10179	0.6
110.06020	0.4
112.07618	1.3
116.04992	0.8
118.06569	0.6
120.08138	0.4
121.10229	0.4
122.06033	16.6
123.04422	0.6
124.07578	0.5
134.06047	1.4
138.05525	0.4
140.07068	28.2
144.04405	2.7
144.08078	0.4
146.06012	10.8
148.07608	1.0
152.07051	1.1
160.07559	0.4
162.05548	1.5
163.03865	0.9
163.06294	0.7
172.03944	16.3
172.07748	0.5
173.04762	2.0
174.05513	12.9
175.06294	0.7
176.07080	5.3
182.09718	0.6
183.09012	0.4
186.09315	0.4
187.08751	0.6
190.04985	2.9
191.05794	1.3
192.06557	1.3
197.10777	1.0
198.09261	0.5
199.08713	0.5
199.12369	1.5
204.06570	29.2
206.08130	11.1
209.10777	0.6
210.09264	0.8
211.08737	1.2
211.12216	0.7
212.09442	1.6
213.10315	1.3
216.10202	0.5
221.08397	0.4
223.08694	0.5
224.09547	1.3
225.10248	4.6
226.08751	0.4
226.11028	1.1
227.11794	10.8
227.13953	0.6
236.09418	0.8
237.10278	2.0
238.11012	1.5
239.11807	3.5
240.10277	0.7
240.12700	0.7
241.09779	1.3
241.13414	0.5
243.11307	0.7
249.10292	0.9
251.08215	0.8
251.11729	2.6
253.09647	2.2
255.11374	1.1
261.12457	1.5
263.08081	1.0
263.12036	0.6
264.08865	0.6
265.09781	1.5
266.10498	0.5
267.11340	1.6
269.09805	0.7
269.12827	8.6
269.15588	0.6
271.10812	3.8
277.09851	0.8
278.10400	0.4
279.11368	1.6
281.09299	0.6
283.10770	8.9
284.11533	5.0
285.12280	3.9
287.13898	28.4
288.14572	0.5
291.11246	0.4
295.10791	1.2
297.12329	2.8
300.12271	1.2
301.11963	2.3
302.12979	0.8
312.11868	0.5
312.15182	0.9
313.11816	30.4
314.12900	1.6
315.13770	2.2
316.14459	4.5
317.15244	0.6
321.08765	0.6
323.10355	1.4
324.11249	0.5
326.16696	0.6
327.13788	1.0
327.17477	1.0
328.14569	1.8
329.11649	2.1
329.15433	2.1
330.12442	2.2
330.16086	5.6
331.12949	5.2
331.16913	6.4
332.17563	1.0
339.14230	0.6
340.14697	0.6
341.12634	1.2
342.12491	4.0
342.16211	1.0
343.13232	2.3
344.13947	1.5
344.17676	4.8
345.14468	20.6
354.12479	0.6
354.16367	0.5
355.13345	0.9
355.17230	0.9
356.13855	3.1
357.14932	2.4
358.11447	0.6
358.15527	6.5
358.19519	0.6
363.15558	1.1
365.11588	0.6
366.16190	0.6
367.13458	1.0
368.17737	0.6
368.53674	0.5
369.11115	0.7
370.11749	0.9
370.15665	2.6
371.16647	0.8
372.17200	3.6
374.18777	1.1
380.13968	0.6
382.11240	1.9
382.15643	1.4
383.12509	2.6
384.13336	8.9
385.14218	3.3
386.14563	3.8
386.18900	1.6
388.16678	1.3
390.18060	4.4
391.18781	0.5
392.19864	0.5
396.17462	0.7
398.14993	11.0
399.15805	20.1
400.16592	27.8
401.17191	0.5
402.14499	1.7
403.18893	0.8
412.16632	1.3
414.18256	5.2
415.18631	1.3
416.15912	2.0
417.16837	5.8
418.17639	7.5
422.15002	0.9
430.17612	2.2
431.18484	1.8
440.16107	4.0
441.17056	1.3
442.17645	0.8
444.15421	2.6
458.17126	21.1
459.17847	12.3
460.18536	2.9
490.19925	4.6
491.20395	1.7
555.26001	1.0
557.23767	2.5
581.23956	5.1
599.25018	100.0
600.24927	2.2
617.43866	0.4
631.27374	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	630.4791
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	3.0
57.03451	1.0
57.07080	66.1
59.05008	15.0
67.05504	3.8
69.07057	2.1
71.08637	70.6
73.02920	1.0
73.06572	4.2
73.48138	0.8
77.80003	0.8
79.05501	1.6
79.77877	0.7
81.07042	1.4
83.08615	2.6
85.06543	0.9
85.10189	60.2
85.91883	0.9
87.04480	12.7
89.06037	100.0
89.83599	0.7
91.05495	1.4
92.08595	0.9
93.07039	1.9
95.08630	1.3
95.95499	0.8
97.10161	1.6
99.11733	6.8
103.07587	6.9
105.07047	2.6
107.07072	2.8
107.08583	1.5
109.10184	2.5
117.09151	2.6
119.08610	1.3
130.08650	3.7
131.07059	5.0
133.08612	90.0
135.10191	1.2
141.16377	5.4
161.11746	1.3
173.11833	1.3
175.09727	4.0
177.11241	38.9
195.12196	0.9
199.20592	7.7
219.12314	2.9
221.13808	8.6
225.66032	0.8
237.21483	0.9
239.14890	1.8
243.23199	6.4
265.10327	0.9
265.16519	2.5
283.17474	2.8
309.19119	1.8
327.20151	3.3
329.33850	1.1
371.22568	2.7
397.24374	2.3
401.29752	1.0
415.25403	18.4
455.28351	3.2
473.30203	1.1
489.36087	1.7
555.64087	1.0
613.45123	4.7
630.39197	0.8
630.48071	6.6
631.37354	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	630.3277
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	0.9
56.08240	0.9
57.07084	6.7
58.06600	1.3
64.69715	0.8
65.03938	1.1
67.05503	1.3
69.31348	3.5
69.31779	3.2
70.06597	17.1
71.08617	1.6
72.08146	1.0
79.05492	1.0
81.03396	0.7
81.07045	1.1
83.14677	0.8
88.07640	19.1
91.05531	1.1
93.07059	1.5
95.08604	0.9
97.03458	0.7
102.09177	13.5
103.36977	0.7
105.03414	0.8
105.07016	1.1
107.08558	0.8
109.10140	1.2
123.04453	1.0
127.03883	0.8
139.03899	1.1
149.02365	36.7
149.03453	2.2
175.03886	1.1
193.04977	42.1
219.06543	1.5
224.75441	0.7
228.23236	44.3
237.07558	10.6
247.01459	0.9
269.04468	0.9
272.25952	1.7
284.93933	0.7
297.03934	2.1
307.51169	0.8
313.07166	2.7
315.15756	0.8
327.14514	1.8
341.06699	8.5
359.07849	4.7
385.09167	18.2
429.11865	27.1
589.07422	0.9
607.07843	3.3
612.32623	1.2
630.32739	100.0
631.33087	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	630.2759
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	2.0
54.66515	0.6
55.01869	1.8
55.05504	3.4
56.05786	0.7
57.03431	2.7
58.45425	0.6
59.17848	0.5
65.03934	1.1
67.05503	5.6
69.03429	6.2
69.07067	2.5
70.06595	0.7
71.04988	1.4
75.04479	2.4
78.88020	0.6
79.05495	12.1
79.06255	0.5
81.03419	2.6
81.07056	9.7
83.01336	1.2
83.04994	1.6
85.02911	3.2
87.04461	1.9
91.03919	0.7
91.05482	14.0
93.07044	43.4
95.01331	0.7
95.04983	6.0
95.08607	6.6
96.08128	0.8
97.02893	100.0
97.06517	3.3
97.10162	0.6
98.97591	0.7
99.04477	3.8
103.05465	1.5
105.04565	0.7
105.07030	11.7
107.04959	2.2
107.08587	9.8
109.02868	0.9
109.06521	3.1
109.10143	1.0
111.04445	4.6
111.08095	2.7
115.03934	2.6
115.05480	1.8
117.05511	0.6
117.07012	4.4
119.04911	0.9
119.08582	59.3
120.08958	0.6
121.02845	1.5
121.06516	5.8
121.10146	37.1
122.84261	0.7
123.04422	3.8
123.08070	2.7
123.11726	0.8
124.03968	1.0
124.07616	0.7
125.05972	1.8
127.03949	1.1
128.06239	2.0
129.07013	3.8
131.04977	0.7
131.08565	5.9
133.04962	1.2
133.06477	2.3
133.07527	0.8
133.10133	4.9
135.04465	1.5
135.08028	3.4
135.11720	1.9
137.05966	2.3
139.03899	1.6
139.11223	2.5
141.07010	1.4
142.07794	1.6
143.08565	8.1
145.02823	0.7
145.06476	2.2
145.10117	7.5
147.04439	1.5
147.08043	4.5
147.11699	1.7
149.05988	7.3
149.09619	8.1
151.03914	0.7
151.07532	1.7
153.05457	1.5
155.08600	1.5
156.09351	2.3
157.06563	0.9
157.10121	4.2
158.07231	0.7
159.08041	2.5
159.11702	3.1
161.06020	2.4
161.09619	3.5
161.13245	1.1
163.03938	2.7
163.07556	4.3
163.11160	3.9
164.08357	2.8
165.05505	1.2
165.06897	0.7
165.09160	2.3
166.07713	1.3
167.10681	4.4
169.10088	1.0
171.08063	3.2
171.11716	6.4
173.09654	1.7
175.07603	2.4
175.11217	1.7
177.05408	0.7
177.09117	0.9
181.10126	3.3
184.08879	1.2
187.07622	1.1
187.11214	1.7
189.09096	9.5
189.12715	4.8
190.09863	0.7
191.10666	2.1
199.11162	7.2
201.09149	0.6
203.10664	3.0
207.06642	1.0
209.09749	1.5
215.10681	0.9
217.12260	23.8
227.10709	6.0
233.11728	1.9
235.13269	1.8
245.11732	27.7
253.14420	1.4
259.09872	1.3
263.12769	18.3
281.13864	15.0
281.16260	0.3
289.26004	0.6
299.14883	1.6
301.85898	0.7
425.18231	1.2
630.31537	1.3
630.45837	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	629.478
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	6.3
55.01864	3.6
55.05513	22.6
57.03442	12.3
57.07079	17.1
59.04993	5.3
65.03946	4.6
67.05507	78.8
69.07071	24.1
70.65481	2.3
71.04994	2.8
71.05911	2.0
71.06238	3.6
71.08238	2.5
71.08636	51.9
79.05495	74.1
81.03405	7.1
81.07063	81.4
83.04966	7.2
83.08614	17.0
85.06535	5.0
85.10173	4.5
87.04439	1.9
89.06047	4.3
90.01894	2.7
91.05483	44.0
93.07048	87.1
93.07637	4.3
95.04974	10.0
95.08613	57.9
96.08965	1.8
97.06520	7.3
97.10158	5.2
99.08093	28.4
100.40363	1.6
105.04516	1.9
105.07034	34.8
106.07368	1.9
107.04953	8.1
107.08599	50.5
109.06499	6.6
109.10171	23.8
111.08058	2.5
113.09705	3.2
117.07029	11.8
117.09155	2.8
119.07806	2.5
119.08585	27.5
121.06557	2.0
121.10146	39.9
121.11021	2.5
121.36152	2.0
123.08041	2.4
123.11702	4.6
125.09641	1.9
129.06989	8.4
131.08571	20.1
133.08624	2.3
133.10152	13.4
135.08008	3.6
135.11694	39.0
137.09602	5.9
137.13179	3.0
141.09181	2.4
143.08543	6.3
145.10107	15.0
147.08058	2.0
147.11696	11.8
149.13281	15.7
151.11208	12.6
153.12698	2.5
155.08521	2.3
157.10098	5.5
159.11693	9.7
161.09637	2.4
161.13274	17.7
163.11179	8.2
163.14842	10.6
171.11711	6.8
173.11841	3.0
173.13257	10.3
175.14870	3.4
177.12726	3.6
177.16293	2.9
179.14314	69.7
183.11684	2.0
185.13255	4.9
187.14771	4.4
195.13821	2.9
199.14827	4.4
213.16399	2.6
219.17418	3.3
220.17842	2.7
234.13741	2.0
241.19516	3.6
243.21117	18.0
259.20566	4.4
261.22128	17.0
273.18457	4.2
277.21625	62.5
291.19522	5.8
295.22647	4.7
317.24661	11.2
335.25797	58.8
336.26169	2.7
351.25317	54.2
439.35889	4.5
457.36810	3.3
511.92776	2.9
513.39349	8.4
515.37085	5.6
529.38550	3.3
555.44427	3.3
562.01697	1.9
611.46741	100.0
612.46887	2.2
629.47845	34.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	629.3151
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.7
55.01863	0.5
55.05508	1.1
56.96575	0.5
57.03426	0.8
61.02905	0.6
67.05499	2.0
69.03432	1.6
69.07071	1.4
70.06589	1.1
71.04993	1.1
71.53159	0.7
76.28468	0.6
79.05493	1.7
81.03419	1.0
81.07045	2.0
81.15707	0.4
83.04973	0.7
84.05206	0.4
85.02896	1.7
91.05471	2.8
93.07050	2.2
95.04977	1.2
95.08619	2.2
97.02905	4.6
97.06535	1.6
97.99778	0.4
98.03240	0.6
99.04456	0.7
105.07034	3.2
107.04959	0.8
107.08623	1.8
109.06516	0.9
109.10165	1.7
112.42338	0.4
119.04926	1.4
119.08604	1.6
120.08085	0.5
121.06512	1.3
121.10159	1.3
123.04445	0.8
123.11716	0.6
125.05970	0.7
127.03921	0.6
131.08580	0.8
133.10185	0.8
135.04468	0.7
135.11707	0.7
137.05988	0.7
145.02905	1.0
145.10164	1.0
147.04424	1.6
147.11705	0.6
151.03926	1.0
157.10138	0.6
159.11787	0.7
161.05890	0.7
161.11957	0.5
163.03932	3.9
167.05814	0.4
167.07033	2.7
171.11635	0.5
175.03947	1.8
175.07523	0.4
177.05486	1.0
181.04962	3.7
187.11246	0.7
189.12668	0.7
203.05272	1.1
207.06552	2.6
209.15575	0.5
210.15947	0.4
211.12434	0.5
221.08054	0.6
245.06360	4.3
259.09750	0.8
272.12790	0.5
273.04044	0.7
285.04346	0.5
289.05325	10.6
297.03812	0.6
303.05087	1.7
327.21985	0.6
345.22726	2.5
363.25043	14.0
381.26111	9.3
381.30783	0.8
423.26352	1.1
492.30618	0.6
543.31439	3.4
585.32446	10.9
599.21033	0.6
611.30475	1.0
629.31464	100.0
630.31726	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	629.3148
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.5
54.82436	0.4
55.01839	0.4
55.05516	0.7
56.13159	0.4
67.05514	1.3
69.03432	0.9
69.07082	1.1
70.03687	1.6
70.06599	0.7
71.04984	0.8
79.05503	1.7
81.03423	0.8
81.07060	1.5
83.04958	0.9
83.08622	0.4
85.02933	0.9
91.05469	1.8
93.07053	1.2
95.05013	0.5
95.08609	1.0
97.02895	3.3
97.06532	1.6
105.07038	1.2
107.04977	0.5
107.08611	1.0
109.06522	0.5
109.10154	0.9
111.08228	0.4
119.04951	0.7
119.08565	0.5
121.02894	0.8
121.06483	0.7
121.10143	0.9
123.04436	0.9
123.08065	0.4
124.85155	0.3
127.03947	0.6
131.08614	0.7
131.70850	0.3
133.10165	0.8
135.04457	0.4
135.11736	0.7
137.06029	0.7
139.03947	1.1
145.02864	0.6
145.06572	0.5
145.10129	0.6
147.04446	1.4
147.08034	0.5
149.06013	0.4
151.03925	0.6
163.03899	3.3
165.05560	0.9
167.07033	0.9
171.86023	0.4
175.03967	1.7
177.05458	0.9
181.04982	1.1
185.04198	0.4
193.12260	0.5
199.13348	0.4
200.09662	0.4
203.05302	0.9
207.06551	3.6
211.13396	1.4
219.10149	0.6
227.05231	0.6
245.06334	4.2
245.13435	0.4
255.11101	0.4
257.04553	0.8
270.17822	0.7
273.03891	0.5
285.04144	0.5
285.12482	0.4
289.05304	9.2
289.08307	0.6
303.04935	2.1
327.05161	0.4
327.21701	0.5
333.24051	0.8
345.22705	2.4
351.25415	0.5
363.25003	17.0
369.06122	0.6
381.26123	10.5
381.30722	0.7
405.25031	0.8
423.26056	0.8
525.18988	0.4
539.42731	0.5
543.31439	3.2
567.32257	0.5
585.32507	14.3
611.30603	1.0
629.31494	100.0
630.32056	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	629.2725
Annotation	Resiniferatoxin
Peak:m/z	Relative Intensity
55.02185	0.5
69.37289	3.7
89.06018	1.2
95.32642	0.4
96.38788	0.4
98.20765	0.7
133.08594	0.9
153.27127	0.5
153.58435	0.4
164.86716	0.5
177.11278	0.6
218.51558	0.4
235.73170	0.5
308.94205	0.4
326.28778	0.4
517.49390	0.5
541.46820	0.5
629.27332	100.0
630.27655	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	629.3148
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	0.6
55.05503	1.7
57.07066	0.6
64.58421	0.7
67.05514	3.0
69.03448	1.4
69.07076	1.6
70.06615	1.1
71.04981	0.9
71.52755	0.6
71.53198	1.3
79.05499	2.0
81.03408	1.5
81.07054	3.6
81.88402	0.6
83.08599	0.9
85.02905	1.5
91.05469	3.0
93.07042	2.1
93.51541	0.6
95.04978	1.0
95.08600	2.1
97.02885	2.9
97.06543	1.0
98.97606	0.8
99.04465	0.7
105.07029	3.0
107.05006	0.6
107.08607	1.8
109.02890	0.7
109.06492	0.8
109.10147	2.2
117.03442	0.6
117.07034	0.7
119.08578	2.1
121.02887	1.8
121.06514	1.3
121.10163	0.9
123.04369	0.9
131.08553	1.4
132.40800	0.6
133.10164	2.0
135.08101	0.8
135.11710	1.3
139.03929	2.3
143.08589	0.8
145.10091	1.0
147.04378	0.9
148.56406	0.6
149.09712	0.7
161.09610	1.3
163.03928	5.3
163.11272	0.7
175.03918	1.4
177.05447	0.8
179.07011	0.6
179.10725	1.3
203.05309	2.4
207.06551	0.8
227.05446	0.9
245.06320	9.6
247.08540	0.7
271.04276	0.7
285.18573	1.7
289.05313	13.0
301.25070	1.5
303.04794	3.1
319.26160	3.8
327.17648	0.7
329.13922	0.6
329.17752	0.8
363.25003	5.6
381.25974	3.0
388.31723	0.6
415.15439	1.1
523.32269	3.8
534.58325	0.8
555.22681	0.8
567.31421	7.3
584.87299	0.7
585.32550	7.9
611.29456	1.0
629.31464	100.0
630.31958	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	629.2601
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	2.6
67.05501	6.1
69.03421	2.4
69.07037	3.8
71.53020	2.0
71.53394	1.7
79.05495	4.6
81.03407	3.1
81.07059	3.8
91.05468	3.7
93.07013	3.1
95.08613	2.7
97.02861	2.3
105.07050	2.2
109.10151	1.9
116.66759	1.7
119.08581	3.5
122.06046	1.8
123.04481	2.2
131.08597	2.9
133.10104	3.0
139.03915	3.0
140.06990	2.1
163.03859	2.1
187.75922	1.5
197.07097	1.8
198.12856	1.5
219.08565	1.6
221.10925	2.3
244.86079	1.5
247.08597	1.5
248.09470	2.2
249.10262	11.8
250.10846	2.2
251.11815	3.3
252.12213	1.5
252.76610	1.4
258.91013	1.8
263.08188	1.6
263.11856	2.8
264.08722	1.5
277.09793	8.1
291.11298	1.7
309.12350	5.0
311.14066	2.5
312.11240	1.9
313.11874	2.7
323.10416	3.3
323.13959	6.9
326.12964	1.7
327.13724	3.1
328.14462	3.8
338.16501	2.8
339.17615	3.3
340.14398	1.7
341.11688	7.5
341.15329	1.7
342.12332	7.7
342.16000	2.9
343.12769	1.6
346.67902	1.5
354.12341	7.1
355.12982	8.9
356.13882	19.2
356.17795	2.6
364.14102	1.7
366.16095	2.4
367.16687	4.9
368.14032	8.2
369.14694	6.5
370.15466	12.9
371.16077	2.3
380.13876	6.4
382.11481	2.7
382.15784	2.1
384.13126	3.9
384.17349	10.5
394.15552	1.8
396.13260	4.9
398.14438	11.6
398.18820	5.5
401.13629	12.2
403.57068	1.7
410.15002	2.2
412.16599	8.0
414.14661	8.8
416.15665	4.7
419.21948	3.8
428.16025	2.4
429.16989	8.3
430.17624	7.2
438.14218	7.8
439.15015	2.0
444.19186	12.7
456.15408	10.6
457.16299	27.2
458.17078	23.8
474.16440	4.6
488.18384	13.6
489.18961	100.0
490.19766	23.3
579.22314	4.2
597.23315	16.2
606.35175	3.3
611.24579	3.6
629.26135	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	629.2245
Annotation	Chlorophyllide b
Peak:m/z	Relative Intensity
58.92711	0.4
65.82789	0.5
71.52178	0.5
81.07069	0.7
83.34120	0.4
91.05450	0.6
118.09810	0.4
165.37009	0.5
384.77911	0.5
386.12924	0.5
396.12189	1.5
397.12982	2.3
399.14658	1.3
400.15610	1.1
409.13153	0.8
410.13797	3.3
411.14603	7.3
412.15292	5.2
413.16165	5.0
414.16510	0.5
423.14844	2.2
424.16040	2.8
425.16281	16.7
426.16925	9.7
427.17700	3.5
428.18311	4.2
437.16614	0.7
438.12427	2.9
439.13580	20.3
440.13153	0.7
440.18954	7.7
441.19336	39.1
442.19562	1.3
451.18277	0.7
452.14493	4.0
453.15430	23.7
454.15967	5.6
455.20877	0.5
456.18280	1.5
457.15109	0.8
463.14185	0.7
465.15613	0.9
467.17200	27.1
468.18005	20.2
469.18921	10.6
471.16592	1.3
472.17728	1.0
479.17538	0.6
480.17365	0.8
481.14590	11.9
482.15979	2.0
483.16800	0.8
484.21927	3.3
485.18143	1.7
485.22540	0.5
495.16953	2.0
495.21112	1.3
496.17258	10.4
497.17996	2.0
498.18848	1.4
499.19724	2.1
500.20758	4.3
509.19107	1.4
511.19946	0.8
512.21454	2.8
513.21631	6.3
514.22424	0.8
523.19556	1.7
526.18866	0.7
527.19647	0.5
528.19672	1.0
537.17926	0.6
541.20868	45.4
542.21014	0.9
553.21149	0.7
569.20325	100.0
570.20410	3.0
572.19049	1.0
573.23663	2.9
597.19824	33.1
600.21906	1.0
601.22943	14.8
629.22369	82.6
630.22552	1.9
633.22900	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	628.297
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	1.0
57.07060	0.3
57.73810	0.3
67.05493	1.1
69.03420	0.9
69.07072	0.8
70.06579	0.6
70.84673	0.6
71.05004	0.4
78.03452	1.5
79.05485	0.6
81.03423	0.6
81.07057	0.9
83.04987	0.6
83.08606	0.6
85.02924	0.5
85.06528	0.3
89.03910	0.3
91.05481	0.8
93.07038	1.3
95.04979	3.1
95.06101	0.2
95.08604	1.7
96.04497	0.3
97.02893	100.0
98.03214	0.4
99.08088	5.3
105.07054	0.5
106.02927	5.5
107.04926	0.3
107.08601	1.9
109.02887	0.5
109.06511	0.4
109.10160	2.6
117.03392	0.3
119.08613	1.3
121.06548	0.3
121.10143	0.6
123.11682	0.5
124.03049	0.5
124.03961	11.1
127.11217	0.3
131.05054	0.2
131.08540	0.4
133.10135	1.2
135.04462	0.3
135.11687	1.9
137.09601	1.8
145.02869	0.7
153.12798	0.7
155.10657	1.7
160.70531	0.3
163.03929	2.6
163.94467	0.3
164.04233	0.4
167.17969	0.3
171.13808	0.4
175.14795	2.0
177.05489	0.5
189.09122	0.3
193.15909	3.1
196.06085	0.8
197.03375	0.2
201.09236	0.4
211.16920	5.3
220.06050	21.9
229.18050	0.7
238.07100	6.6
249.11275	1.9
256.08160	2.2
268.08249	0.6
303.10947	0.4
361.44568	0.3
382.11285	0.9
400.12402	18.2
445.01602	0.3
448.23373	0.4
466.24142	0.6
610.28601	0.3
628.20441	1.0
628.30457	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	629.1504
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	0.4
55.05509	0.4
57.07082	3.0
57.09900	0.3
58.07416	0.4
63.02347	0.3
65.03941	1.6
67.05499	0.4
69.03431	1.5
70.07864	0.8
70.08268	0.4
77.03935	0.9
79.05489	0.6
81.03407	0.6
81.07063	0.5
85.02910	0.9
85.06550	4.9
86.06882	0.6
89.03928	1.1
91.05484	24.7
93.07058	0.5
95.04966	0.6
97.02897	1.3
97.06529	1.0
99.04473	0.4
103.05458	0.6
105.03380	1.1
105.07014	0.6
107.01317	0.3
107.04974	0.4
107.08564	0.4
109.02882	0.6
109.10186	0.3
115.05421	0.3
118.04166	0.5
119.04947	34.8
119.08601	0.4
121.02896	0.5
123.04388	0.4
127.03954	1.5
129.03362	0.8
131.04942	0.3
132.02048	1.5
133.02876	0.4
133.10138	0.5
134.50298	0.3
135.04414	1.2
136.05203	0.6
137.06026	0.3
139.03894	0.6
145.02855	0.9
145.04994	0.6
145.06499	0.3
147.04414	28.4
149.02325	1.0
151.03922	0.4
153.01851	1.2
155.04936	0.7
157.03973	3.6
162.03006	0.3
163.03870	1.4
164.04663	0.6
165.05518	0.7
165.06926	0.3
175.03915	49.5
176.04439	0.3
177.05537	0.4
179.07042	2.8
183.04440	0.8
192.04184	0.4
201.05527	1.0
207.06534	100.0
208.06905	0.6
211.03925	2.2
211.09689	0.5
211.13377	1.0
215.03294	0.4
217.05017	0.6
219.02902	1.1
219.10187	0.4
219.28638	0.3
221.05981	0.8
225.05489	0.5
229.05026	2.3
239.03419	0.7
245.04431	0.7
247.11763	1.9
248.12103	1.0
249.05403	0.7
249.07747	0.5
253.05013	0.9
255.02910	0.4
257.04456	16.2
260.03198	2.8
261.03925	2.6
263.01883	0.8
267.02994	0.9
267.06494	0.4
269.04358	0.3
271.06143	2.0
273.03949	16.4
274.04706	2.8
277.04999	0.5
281.04373	0.4
285.03970	8.5
285.07556	1.5
285.10379	0.3
285.18774	0.3
287.02060	0.5
287.05472	0.4
295.02841	0.4
295.06012	3.1
297.03925	1.6
298.04715	0.7
299.02029	0.8
299.05457	4.1
303.05002	55.9
304.05392	0.6
309.03912	0.7
311.05542	0.4
313.03610	0.6
313.07031	4.2
323.05554	3.2
325.03412	0.6
327.05008	5.8
329.17535	0.4
339.04773	1.5
341.06570	0.6
351.04971	6.4
357.06067	1.2
363.24969	0.4
369.06067	19.3
381.13446	0.4
387.07141	1.9
405.08145	4.6
421.05344	0.5
423.09451	0.6
585.32227	0.4
593.13147	0.6
611.14117	0.7
629.22583	0.3
629.31598	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	627.4232
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	0.7
55.01857	1.5
55.05513	3.3
57.03428	0.9
65.03934	0.6
65.65502	0.5
67.05176	0.6
67.05506	6.9
69.07082	3.1
69.49475	3.3
71.08627	0.5
79.05495	6.0
81.03405	0.9
81.06609	0.7
81.07056	7.7
83.04965	1.1
83.08603	1.5
91.05485	5.5
93.07043	5.2
95.04981	1.0
95.08613	5.5
97.06534	1.7
97.10146	1.0
98.21486	1.0
105.07029	4.7
107.04929	1.2
107.08611	3.5
108.17666	0.4
109.10152	2.7
115.04210	0.4
117.07021	2.1
119.08572	3.0
121.06482	0.6
121.10155	2.7
123.11716	1.1
125.09611	1.2
126.44958	0.5
129.06932	0.8
131.08585	1.6
133.06456	0.5
133.10161	3.1
135.11670	2.0
137.16275	0.4
143.08554	0.8
145.10123	2.5
147.11697	1.5
149.09604	2.8
149.13240	0.7
151.11205	0.7
155.08646	0.4
157.10159	0.8
159.11723	2.3
161.13258	0.8
171.11757	1.4
173.13274	1.7
181.10283	0.5
185.13263	1.0
189.11238	0.6
193.93475	0.6
197.13283	0.7
199.14992	0.7
200.10934	0.5
201.16336	0.6
206.38725	0.5
211.14790	0.6
219.17343	0.5
239.18048	0.6
247.20753	0.5
257.19052	1.2
261.21982	0.9
275.20074	5.2
299.23767	0.6
315.19354	1.7
333.20425	0.6
335.21835	2.0
335.25867	5.4
349.23706	2.9
352.85651	0.5
446.82779	0.6
529.38458	0.8
551.81909	0.5
609.45551	5.7
627.42224	100.0
628.42194	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.3931
Annotation	Unknow
Peak:m/z	Relative Intensity
53.16288	0.5
54.80214	0.5
55.05508	0.9
56.96308	1.2
56.96570	16.8
60.60897	0.6
67.05513	2.7
69.07059	0.6
71.95280	3.4
72.96032	0.7
75.21748	0.5
79.05473	1.3
81.03436	0.8
81.07043	2.0
84.96036	2.1
88.00064	0.6
91.05484	1.3
93.07033	2.2
95.08566	0.8
97.96822	1.8
98.20753	1.8
98.97599	1.5
105.00138	1.1
105.06368	0.6
105.07040	1.1
107.08597	1.1
110.97575	6.6
116.98624	0.6
117.79348	0.5
119.08524	0.7
121.10138	0.8
124.99202	0.6
128.98618	9.1
129.07050	0.8
133.10135	1.0
134.35847	0.6
137.02768	0.7
143.00194	1.0
145.10078	0.7
146.99638	5.6
153.02266	0.6
159.11646	0.8
161.01155	1.8
171.03275	1.4
175.02769	0.9
185.04948	0.7
189.04224	1.1
199.06458	1.2
203.05908	1.3
217.07433	0.8
229.54964	0.7
241.11082	2.0
249.07927	0.6
252.10381	0.8
259.12222	1.1
263.09521	2.7
277.11084	1.1
287.40030	0.6
303.12781	2.2
313.14423	0.7
315.16306	52.4
331.15787	2.9
333.17371	100.0
334.17700	1.1
351.18423	48.6
352.18723	0.8
356.18994	19.6
369.19849	0.8
374.20053	10.3
591.37195	2.1
609.37933	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.2812
Annotation	Red chlorophyll catabolite
Peak:m/z	Relative Intensity
55.05529	0.7
55.65283	0.6
56.35280	0.7
67.05495	2.3
68.01829	0.7
69.07060	0.9
69.09171	0.7
71.52754	0.8
76.44286	0.7
81.07066	1.9
91.05498	1.8
93.07050	1.9
95.08613	0.8
105.07005	1.7
107.08600	1.2
108.08074	0.7
109.10107	0.7
119.08566	1.1
122.06075	0.8
130.06633	0.7
130.67276	0.6
133.10152	1.0
136.07571	1.1
137.68660	0.7
159.09305	1.0
162.71758	0.6
171.18703	0.7
174.09160	2.5
187.08693	0.9
187.12325	3.5
188.10797	1.9
197.10770	1.6
199.08739	0.9
200.09448	0.9
211.08702	1.3
212.09300	0.7
213.10236	1.5
215.11865	2.2
224.09338	0.9
225.10239	3.6
227.11787	3.9
235.08830	1.6
237.10387	1.5
239.11862	1.6
241.13409	2.4
243.11314	18.9
249.10316	1.5
251.11810	1.6
252.09047	1.2
252.12708	0.8
253.09689	1.7
255.11272	0.8
263.11783	1.2
267.11337	7.6
269.12936	2.1
271.10907	1.0
275.20331	1.0
276.93893	0.8
277.09854	2.1
285.12589	1.4
295.10852	2.0
299.13986	1.7
300.11343	1.3
301.15613	1.9
302.12988	1.0
309.12561	1.5
316.10864	1.0
319.10760	1.0
320.14270	0.8
324.11368	0.7
325.15558	6.7
327.13342	5.1
328.10904	2.4
328.14566	1.5
329.11359	1.1
330.12344	2.7
330.15930	1.2
332.14093	1.0
334.15610	0.9
342.12390	3.0
343.13254	2.9
344.14026	2.5
345.14893	0.9
346.15701	1.3
348.13425	2.5
355.13287	1.1
356.14084	2.8
357.14706	1.3
358.15601	2.9
362.15225	1.0
370.15680	1.0
371.16809	1.0
372.17224	3.2
373.13879	1.0
384.13095	0.9
385.17810	1.1
386.14780	1.9
386.19046	1.4
390.14410	0.7
400.16748	1.9
403.15808	0.9
407.14688	0.9
408.16083	0.8
412.16528	1.0
421.17130	1.0
423.18301	1.2
430.18127	1.6
431.18787	1.5
432.19318	2.6
435.14343	1.3
435.21625	0.7
437.19772	2.3
447.22070	2.4
449.20346	1.1
451.22104	1.1
459.18121	1.0
460.18658	1.5
462.20389	1.0
462.24506	1.0
463.22025	3.6
465.18979	11.5
474.21283	0.8
475.21115	0.8
477.18799	1.3
478.19995	1.2
479.20389	4.6
480.21832	3.1
481.22571	2.3
489.22751	1.0
490.20566	1.3
492.21579	1.9
493.23221	3.4
494.22913	1.1
504.21411	1.4
505.22226	0.9
507.24036	3.8
508.21265	1.5
517.22406	1.3
534.22974	0.8
535.23700	4.2
549.24969	9.4
552.05304	0.9
553.24707	1.4
567.26062	48.9
577.24469	2.2
581.28210	0.9
595.25513	37.1
609.26300	1.1
627.28162	100.0
628.29016	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.2812
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	3.4
67.05483	9.8
69.03407	2.0
69.07066	3.2
69.29811	15.6
69.30235	5.2
77.01097	2.3
79.05491	8.6
80.82048	2.2
81.07037	5.3
85.02902	2.8
90.18852	2.3
91.05486	4.0
91.57156	2.3
93.07051	7.1
95.04975	2.3
95.08595	4.9
101.84720	1.9
105.07031	5.2
106.84683	2.5
107.08563	4.0
107.38637	2.2
109.10149	5.4
126.64175	2.2
145.10172	2.7
154.88036	2.3
174.09146	6.8
187.12285	4.9
199.52328	2.6
215.11700	3.1
241.13342	3.3
243.11269	26.3
267.11380	6.6
285.12546	2.9
316.10657	3.5
316.14078	2.9
325.15555	9.1
327.13702	2.9
328.14276	3.0
330.12274	2.8
334.15707	2.9
342.12564	4.0
343.13043	4.2
344.14130	3.6
348.13467	8.1
358.15637	3.3
372.17242	5.9
373.14682	2.3
432.18909	2.8
435.13553	3.0
447.21896	3.2
461.23511	2.7
465.19043	17.1
479.20840	5.2
480.21606	6.1
481.22427	4.3
490.20273	2.9
492.21564	5.1
493.22934	5.0
504.21405	3.8
507.23764	7.6
508.21359	3.7
535.23438	8.5
549.25049	19.6
567.26050	88.2
595.25494	100.0
627.28088	77.2
627.35968	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	627.1556
Annotation	Unknow
Peak:m/z	Relative Intensity
51.41453	0.3
55.01867	0.4
57.03429	0.5
61.02916	1.2
66.29891	0.3
68.99786	0.5
69.03153	0.3
69.03434	2.8
69.96871	0.7
73.02877	0.3
78.48563	0.3
81.03415	1.4
85.02908	9.9
85.68287	0.3
91.03942	0.6
92.34751	0.3
93.03404	0.5
97.02908	2.9
99.04442	0.4
108.74554	0.3
109.02872	1.0
111.00770	0.9
121.02834	0.9
127.03956	2.0
137.02354	3.4
145.04947	3.0
149.02319	0.4
153.01834	3.5
163.03893	0.7
165.01894	1.9
173.05962	0.5
183.02925	1.1
183.04367	0.4
187.04024	0.4
201.05508	1.3
219.06482	0.3
229.04970	4.0
233.59576	0.3
247.05899	0.3
257.04504	3.3
274.04752	0.7
285.03937	1.3
300.04984	0.4
303.04996	100.0
304.05307	0.8
315.05176	0.3
394.32959	0.4
405.30847	0.3
465.10056	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	626.3741
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.6
55.01878	1.4
55.05519	6.1
55.14805	0.6
57.03447	1.4
57.07067	3.1
59.04994	1.2
61.02923	0.9
61.41328	0.6
65.03932	5.2
67.05509	12.2
69.03430	5.3
69.07069	17.9
70.06574	1.4
71.04991	3.0
71.08630	1.6
71.17332	1.5
72.08175	0.7
74.02319	0.6
77.03938	1.2
79.05502	8.8
81.03416	2.6
81.07059	40.1
83.04970	2.4
83.08620	6.2
85.02888	3.0
85.06567	1.0
91.05477	16.9
93.03407	4.1
93.07046	22.8
95.04980	5.6
95.08609	27.0
96.04494	0.7
97.02895	100.0
97.06516	4.1
97.10169	2.7
98.03241	1.4
99.04470	0.8
99.08089	1.4
103.05489	1.6
105.03404	1.2
105.07036	11.1
107.04937	1.1
107.08596	18.7
109.02899	1.4
109.06541	3.1
109.10162	19.1
111.08101	4.5
111.11721	2.7
115.05479	0.8
117.07027	3.1
119.04948	15.5
119.08586	10.4
121.02873	2.3
121.06516	2.2
121.10150	16.9
123.04397	1.1
123.08084	2.6
123.11719	10.5
124.03976	1.4
125.02354	1.0
125.09650	2.6
127.03928	1.9
127.11224	0.7
128.06212	1.5
129.06964	2.2
131.04933	1.1
131.08575	4.9
133.10129	6.4
135.08029	1.7
135.11679	12.9
137.06079	1.2
137.09633	2.2
137.13254	9.9
139.03900	1.5
139.11191	4.4
140.04657	1.7
141.06992	2.1
143.08578	1.5
144.05737	2.6
144.08145	0.7
145.02924	0.7
145.10126	6.7
147.04428	12.0
147.11696	7.5
149.02354	7.1
149.09634	1.2
149.13287	6.2
151.11191	3.5
151.14859	0.8
153.09106	0.9
153.12712	4.0
154.06245	1.3
155.07045	2.4
155.10701	2.3
155.14345	1.6
157.03961	2.4
157.06506	0.7
157.10153	2.3
159.08113	3.2
159.11713	3.9
161.13269	2.9
163.03909	4.9
163.11183	3.6
163.14842	2.5
165.12703	3.8
167.03407	42.0
169.06490	3.6
169.12230	1.6
171.11644	1.1
171.13902	1.2
173.09564	0.8
173.13260	2.4
175.03918	27.3
175.14809	2.3
176.04341	0.9
177.05492	2.2
177.12936	0.9
177.16396	1.9
179.07047	2.3
181.04970	2.5
181.12207	6.5
183.11798	0.9
183.13863	1.1
185.13264	0.7
187.07500	4.5
187.14842	1.5
189.16476	1.0
191.18054	1.0
193.15866	1.0
197.05977	2.4
199.13341	2.4
201.12743	0.8
201.16409	1.4
203.18002	0.9
207.06534	53.8
208.07008	1.5
209.15315	0.9
213.23955	0.7
215.07056	2.6
215.14398	0.8
215.18019	2.1
217.08716	0.7
218.09392	1.4
219.06557	1.8
219.10138	3.5
219.13661	3.4
220.06055	1.1
229.08592	5.0
231.21082	1.0
238.07202	0.9
243.06502	1.4
247.09743	4.7
257.08124	3.0
259.09805	1.0
271.24222	4.5
275.09146	16.3
275.11981	1.3
277.06967	1.6
277.25381	1.4
289.25247	11.6
295.26251	3.4
295.64557	0.7
303.08658	4.0
307.26331	13.2
321.09689	26.2
322.09952	0.9
325.27356	8.8
339.10760	4.9
340.16061	0.8
343.28210	1.6
400.12619	1.4
433.30972	1.0
451.88028	0.7
537.30463	1.1
554.32703	0.7
626.28296	0.9
631.06079	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	626.2811
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02396	0.3
53.03949	0.5
55.05524	0.7
57.03447	0.5
57.07071	0.5
59.04962	0.2
63.06110	0.2
65.27600	0.2
67.05493	1.2
69.03434	1.5
69.07066	1.6
69.39342	1.6
70.06586	0.4
71.05002	0.5
76.01575	0.2
78.03468	1.5
79.04243	0.3
79.05501	1.1
80.05034	1.3
81.03421	0.8
81.07066	3.0
83.01337	0.3
83.04985	0.9
83.08618	0.7
85.02907	0.9
85.06548	0.8
89.03924	0.5
91.05479	1.0
93.07050	3.0
94.07419	0.3
95.04981	1.1
95.08609	3.0
96.04502	0.9
97.02896	100.0
97.06509	0.7
98.03206	0.4
98.97586	0.3
99.04467	0.3
99.08102	2.3
105.07035	1.5
106.02921	6.8
107.03725	0.3
107.04953	1.1
107.08598	5.1
109.02880	0.4
109.06525	1.0
109.10146	1.9
111.03230	0.3
111.04471	0.3
111.08096	0.7
112.73461	0.2
117.03409	0.6
119.08578	1.0
121.02908	0.5
121.06512	2.4
121.10151	4.1
122.02446	0.3
123.04429	0.6
123.08052	2.2
123.11722	0.7
124.03957	38.5
125.05996	0.4
125.09592	0.5
127.03922	0.4
131.08586	1.6
133.10138	2.4
135.04449	0.5
135.08070	1.9
135.11697	0.8
137.05957	0.3
137.09636	1.1
139.03908	0.9
139.07545	0.3
139.11189	0.3
145.02834	0.6
145.05011	0.3
145.10138	0.7
147.04443	0.6
147.11693	1.1
149.09634	7.2
149.13274	2.3
151.03893	0.3
151.11194	2.5
153.09174	0.6
163.03915	3.3
163.11224	0.4
163.14836	3.0
164.04297	0.5
173.13272	2.8
177.05383	0.3
179.05746	0.7
191.14308	7.1
196.06047	0.8
205.04903	0.4
209.15373	20.0
220.06059	21.5
227.16434	2.3
236.44081	0.3
238.07115	21.5
247.12958	0.2
256.08170	2.4
283.08179	0.3
285.17026	0.2
382.11472	0.6
389.21652	0.4
400.12402	24.5
428.28412	0.3
446.21613	0.3
464.22830	4.1
596.99438	0.3
626.28723	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	626.2814
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02388	0.3
52.76133	0.3
55.05512	1.1
57.03443	0.5
62.04684	0.3
65.61682	0.3
67.05510	1.4
69.03434	1.4
69.07062	1.2
70.06586	0.8
71.04996	0.6
71.52716	0.4
71.53114	0.3
72.08152	0.4
78.03448	1.6
79.05492	1.1
80.05023	1.2
81.03416	1.2
81.07073	2.0
83.04983	1.4
83.08625	0.7
85.02890	1.4
85.06546	0.8
89.03921	0.5
91.05495	1.6
93.07060	3.0
95.04987	0.7
95.08614	3.0
96.04513	1.1
97.02897	100.0
97.06510	0.9
98.03233	0.6
98.97605	0.4
99.08076	2.5
105.07024	1.4
106.02909	5.5
107.04974	1.1
107.08595	5.0
109.06554	1.6
109.10155	2.1
111.08085	0.7
111.16216	0.3
117.07094	0.3
119.08597	1.3
121.06523	2.2
121.10154	4.5
122.02356	0.3
123.04413	0.8
123.08080	2.3
123.11742	0.5
124.03960	37.0
125.05984	0.4
125.09610	1.5
127.03917	0.6
129.09061	0.3
131.08554	1.4
133.10149	3.3
135.04434	1.0
135.08061	2.3
135.11681	0.7
137.05943	0.5
137.09679	0.9
138.81630	0.3
139.03912	0.5
145.10101	0.5
147.04408	0.5
147.11699	1.3
149.09631	7.4
149.13261	2.0
151.11192	2.5
153.09172	0.9
163.03923	3.1
163.14818	3.5
164.04312	0.4
173.13252	3.0
179.05817	0.4
191.14316	6.9
196.06187	0.4
207.41121	0.4
208.93195	0.4
209.15379	19.2
220.06061	21.1
227.16470	2.5
238.07112	19.6
256.08118	1.9
354.83105	0.3
382.11316	0.7
386.68942	0.4
400.12402	23.8
464.22964	3.2
524.82416	0.3
548.28638	0.3
626.28815	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	626.281
Annotation	Unknow
Peak:m/z	Relative Intensity
50.89051	0.3
53.03937	0.6
55.05511	2.1
57.07067	0.9
59.04985	0.4
61.02929	0.4
65.03914	0.3
67.05505	3.5
69.03429	2.5
69.07070	1.1
70.06587	0.6
70.97489	0.3
71.04985	0.6
71.52529	0.5
78.03460	1.6
79.05486	2.9
80.05020	0.4
81.03414	1.4
81.07061	6.7
83.04985	2.1
83.06117	0.5
83.08620	2.8
85.02899	1.0
85.06536	2.6
87.04462	1.0
89.03912	0.7
91.05505	2.1
92.65730	0.3
93.07040	3.7
95.04979	2.3
95.08601	2.7
97.02895	100.0
97.06499	1.6
97.10123	0.4
99.04449	0.5
99.67703	0.3
105.07036	3.9
106.02916	6.7
107.04949	0.6
107.08601	5.7
109.02887	0.4
109.06525	4.3
109.10157	10.1
111.08064	0.8
113.06030	1.0
115.03901	0.4
117.03413	0.4
117.06999	0.4
119.08595	1.8
121.06478	0.7
121.10155	6.4
123.08068	2.7
123.11726	3.2
124.03954	10.5
125.09632	1.7
127.03944	0.5
129.07072	0.4
131.08580	2.0
133.10135	7.9
135.04419	1.1
135.08070	1.2
135.11768	0.6
137.13287	0.9
138.05528	1.0
143.08585	0.5
145.02829	1.0
145.10144	1.2
147.04398	0.3
147.11691	1.4
149.09627	0.4
149.13243	2.5
151.11183	3.1
153.09079	2.0
158.10902	0.9
158.86882	0.3
163.03923	7.1
163.11206	0.6
163.14836	1.1
165.12758	3.5
167.14336	2.9
173.13264	5.8
175.14882	0.6
177.05420	0.4
191.14291	4.1
193.12212	0.4
196.06064	0.6
209.15373	14.5
213.02681	0.4
220.06058	25.3
227.16516	0.4
238.07111	6.6
246.08846	0.6
255.67511	0.4
256.08145	5.3
276.95105	0.3
284.15732	0.6
285.17065	1.0
303.10892	3.1
309.16833	0.4
326.86481	0.4
382.11301	0.9
388.79370	0.4
391.78632	0.3
400.12399	16.0
418.13470	3.6
446.21713	0.4
465.15988	0.4
594.72717	0.4
626.29865	1.7
627.19391	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.4465
Annotation	Unknow
Peak:m/z	Relative Intensity
52.98501	1.2
53.03942	3.2
55.01873	8.1
55.05515	30.8
57.03440	7.6
57.07070	3.6
59.04995	1.6
59.07710	1.1
59.75453	1.1
65.03969	2.3
66.12215	1.2
66.82938	1.5
67.05510	42.9
69.07074	17.6
69.19536	12.3
71.04988	4.1
79.05499	32.1
81.03436	3.1
81.07062	37.9
83.04989	5.2
83.08631	11.6
84.10435	1.5
84.79008	1.4
85.06554	3.3
86.09713	3.4
91.05489	27.1
93.07053	28.2
95.04970	5.0
95.08610	26.1
97.06543	7.4
97.10170	12.9
98.20706	2.8
105.07041	29.9
105.07682	1.2
107.04959	2.8
107.08601	19.7
109.06576	2.9
109.10162	18.7
111.08083	2.5
115.05463	3.0
117.07037	10.7
119.08575	21.6
121.06522	1.3
121.10153	11.8
123.08076	2.4
123.11743	8.7
125.09634	8.9
127.07543	1.2
128.06232	4.9
129.05554	1.5
129.07014	17.2
130.07822	1.3
131.08556	15.8
133.10139	19.7
135.08061	2.3
135.11690	8.9
139.11243	1.8
140.14363	1.5
141.07001	6.0
142.07835	3.9
143.08560	19.6
145.06413	1.3
145.10129	20.1
147.08150	1.3
147.11682	9.1
149.09581	2.3
149.13293	3.3
151.11121	1.5
152.53094	1.2
153.07010	2.1
154.07843	1.7
155.08572	12.5
155.10573	1.7
156.09372	1.8
157.10132	17.3
159.08177	1.3
159.11684	13.7
159.12674	1.2
161.09700	2.8
161.13237	6.9
163.11235	2.1
165.06993	1.4
167.08568	4.6
168.86528	1.3
169.10156	13.6
169.48825	1.3
171.11668	16.6
173.11867	1.8
173.13304	10.6
175.14832	3.7
179.08566	2.3
181.10129	7.1
183.11713	18.6
184.12334	1.4
185.13255	12.4
186.13942	1.3
187.13336	2.9
187.14893	5.4
189.11310	2.9
189.16513	1.3
192.09299	1.8
193.10182	2.9
195.11684	9.9
196.12625	1.7
197.13287	10.9
199.14757	6.3
199.36417	1.2
201.16431	3.7
207.11780	4.3
209.13327	8.2
211.14813	8.1
213.16478	3.5
221.13350	5.4
223.14865	5.0
225.16408	4.8
227.12866	5.3
227.18050	2.4
233.13342	1.6
235.14870	2.5
237.16418	4.1
239.18022	5.5
241.19708	3.0
243.15898	3.0
247.15160	1.3
249.16382	1.8
251.18057	2.9
253.19643	2.0
257.19150	3.1
259.20654	3.8
265.19626	1.4
267.17535	1.6
267.20801	1.3
275.20206	6.0
277.21857	1.9
279.20999	1.8
285.21899	1.3
291.19568	1.5
333.24481	2.4
337.25253	1.6
349.24139	4.2
363.13766	1.3
365.28503	6.6
368.94427	1.3
381.31750	3.1
383.29535	2.1
391.30170	1.6
409.30917	1.5
421.31241	3.4
429.30585	1.5
439.32132	3.4
495.34628	1.8
513.35724	14.6
515.38873	7.9
533.39667	7.7
534.18646	1.4
551.40967	5.2
589.42902	3.6
597.44482	1.8
607.43591	47.0
625.27936	2.4
625.44678	100.0
626.45032	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	625.2858
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.7
55.05510	2.1
57.03431	0.7
57.07084	0.7
59.05015	0.4
67.05501	2.3
69.03429	3.5
69.07076	2.7
70.62672	0.9
71.05003	0.4
75.59326	0.3
79.05494	1.8
81.03436	0.8
81.07056	3.9
83.04962	2.3
83.08617	1.6
85.02908	0.9
85.06541	1.2
91.05488	1.6
93.07043	4.4
95.04964	1.7
95.08616	5.1
96.08955	0.5
97.02895	100.0
97.06516	0.7
97.10168	1.1
99.04456	0.4
99.08100	4.0
105.03388	7.1
105.07006	1.7
107.04974	0.4
107.08595	9.5
109.06518	1.8
109.10161	6.6
111.08081	1.9
113.06048	0.4
117.07063	0.4
119.08580	2.3
121.02839	1.8
121.06477	2.0
121.07694	0.3
121.10147	7.4
123.08080	2.6
123.11703	1.4
125.06009	0.7
125.09641	12.3
127.07526	0.4
128.43248	0.4
129.06950	0.4
131.08582	1.6
133.10153	3.5
135.08066	2.7
135.11699	4.4
137.09612	2.4
139.07538	0.5
139.11165	1.3
145.10126	0.8
147.11674	1.7
149.09624	20.4
149.13252	3.8
151.03961	0.4
151.11186	6.0
153.09106	3.6
154.09927	0.8
158.10950	0.5
163.03983	0.5
163.11221	0.4
163.14822	4.5
165.12816	0.6
167.10756	0.6
173.13269	3.4
175.14857	1.5
191.14320	12.8
191.16087	0.6
193.15958	1.7
209.15376	42.8
211.16916	5.2
217.04990	1.3
219.06523	2.7
227.16406	4.8
235.06079	0.8
237.07564	4.0
242.47720	0.3
253.07040	0.7
279.51685	0.3
288.24078	0.4
305.24655	0.5
306.25073	0.4
323.25699	0.7
324.26218	1.1
381.11908	0.7
463.23840	0.4
556.13379	0.4
573.65021	0.4
625.31958	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.4467
Annotation	Unknow
Peak:m/z	Relative Intensity
51.93272	2.5
53.03939	6.1
55.01874	27.8
55.05512	28.5
57.03435	8.5
57.07080	3.7
62.35331	2.7
65.03936	4.1
67.05179	4.4
67.05508	53.6
69.07072	69.9
71.04993	4.6
76.22938	2.4
79.05502	36.8
81.03428	7.0
81.07061	59.0
83.04992	6.8
83.08620	11.5
85.06549	6.5
85.38087	2.8
91.05487	64.7
93.07047	46.0
95.01340	5.7
95.04958	10.0
95.08613	44.6
97.06541	34.1
97.10160	6.1
99.08145	2.8
105.07038	66.1
107.04972	13.1
107.08592	31.7
109.06490	5.4
109.10147	17.1
111.08080	5.5
117.07018	22.9
119.08585	47.9
121.06509	4.1
121.10152	21.7
123.08079	6.1
123.11685	4.1
125.09631	5.4
128.06248	5.4
129.07005	14.8
131.08559	42.6
133.10136	38.2
135.08032	6.5
135.11700	10.9
142.07809	3.5
143.08556	21.3
145.06505	3.3
145.10136	33.4
147.11707	19.5
149.09630	9.2
149.13268	6.9
151.11128	4.2
153.07053	2.8
155.08556	11.5
157.10139	23.6
159.08049	5.6
159.11693	27.1
161.13264	16.8
163.11230	6.2
167.08553	5.0
169.10158	16.4
171.11676	19.7
173.13234	13.4
175.11186	3.2
175.14835	9.8
177.12816	6.0
179.08504	4.0
179.14284	2.8
181.10153	7.3
183.11719	13.7
185.13205	18.9
187.14832	8.8
195.11769	11.0
197.13242	9.7
199.14841	7.2
209.13301	5.8
211.14828	8.1
213.16507	3.5
221.13348	4.5
223.14859	4.7
225.16307	3.1
231.21049	4.0
235.14906	3.9
237.16409	6.0
239.17851	3.6
241.19556	18.0
257.18958	6.3
259.20599	24.7
273.18527	4.3
275.20062	40.3
277.21747	2.9
293.21088	5.8
305.51627	2.6
313.21695	3.2
315.23306	7.7
333.24286	25.7
349.23737	34.7
416.63913	3.2
435.32816	6.0
437.34283	18.9
455.35486	3.2
493.36502	6.0
509.36163	4.9
511.37570	10.9
513.35797	5.4
515.38684	8.0
527.37048	5.7
529.38647	8.3
533.39709	9.1
551.40808	7.3
555.36432	6.1
556.37476	3.7
607.43561	70.4
608.43353	4.0
625.29492	3.8
625.45032	100.0
626.43970	3.7
629.96393	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	625.2859
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	0.3
55.05515	1.3
57.03465	0.3
57.07066	0.8
65.03934	0.6
67.05511	3.5
69.03439	1.8
69.07068	2.8
70.22746	0.3
70.23080	1.0
71.04991	0.6
79.05486	1.2
81.07061	3.7
83.04999	1.7
83.08592	1.5
85.02901	0.5
85.06544	0.7
87.08097	0.3
91.05486	0.7
93.07053	2.4
94.33015	0.3
95.04976	0.9
95.08611	7.4
97.02894	100.0
97.10172	0.3
99.08076	0.7
105.07019	1.9
107.08577	4.2
109.06499	1.6
109.10160	22.2
111.08086	0.7
113.09634	0.5
119.08583	9.0
121.02872	14.5
121.10149	4.0
123.08064	2.8
123.11726	1.9
125.09681	0.3
126.09136	0.3
133.02875	0.7
133.10126	4.8
135.11697	23.6
137.09618	3.9
139.11192	0.8
145.02872	0.6
145.10095	0.3
147.04410	0.3
149.13275	1.5
151.03911	2.0
151.11208	2.3
151.14827	2.4
151.71579	0.2
153.12733	0.8
159.11757	0.3
163.03868	0.4
165.16458	0.6
175.14825	11.5
177.05444	1.5
189.05652	0.3
193.15889	18.0
211.16939	27.6
217.04970	8.4
229.72269	0.3
234.11299	0.3
235.06003	5.2
253.07089	4.6
253.09578	0.3
373.22159	0.6
397.11340	0.4
485.74573	0.3
625.32043	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	625.1767
Annotation	isorhamnetin-3-O-rutinoside
Peak:m/z	Relative Intensity
53.03945	0.4
53.44064	0.2
55.01850	0.2
57.03438	1.2
59.04983	0.3
61.02940	0.3
64.16696	0.2
69.03430	1.1
70.06590	0.5
70.80898	0.5
71.04999	8.6
73.02915	0.5
75.04478	0.5
81.03419	0.5
81.07048	0.2
83.04967	0.7
85.02911	11.8
91.05470	0.4
92.02644	0.6
93.03381	0.6
93.73906	0.2
95.04972	0.3
95.08596	0.3
97.02896	12.1
98.03233	1.9
100.11252	0.3
105.07015	0.3
106.02934	0.5
107.08585	0.6
108.64205	0.2
109.02891	0.5
111.04403	0.4
119.08594	0.3
121.02872	0.6
121.06522	0.3
123.04425	0.3
123.08121	0.4
123.33179	0.2
124.03974	3.0
125.04257	0.3
127.03915	0.9
128.10072	0.2
129.05489	2.7
137.09631	0.8
138.10004	0.2
139.03905	0.3
145.04945	0.4
147.06526	0.7
147.32645	0.2
151.03926	0.7
153.01846	4.4
163.03926	1.3
165.01828	0.5
171.45810	0.3
177.05428	0.3
181.04932	0.4
182.15384	0.4
183.02933	0.3
187.26501	0.2
201.05510	0.7
205.04681	0.3
210.14853	0.5
217.04964	0.4
218.05705	0.4
220.06079	1.6
221.06395	0.9
228.04153	0.8
229.04971	1.5
238.07137	1.4
239.07430	0.5
245.04503	0.6
246.05273	1.1
256.08188	0.6
257.04471	1.3
257.08600	0.5
273.03882	1.3
274.04736	3.2
284.03271	0.4
285.03961	2.5
302.00772	0.5
302.04224	10.9
317.06573	100.0
318.06897	1.0
328.58026	0.2
378.28439	0.2
400.12222	1.2
401.12976	1.5
479.11993	0.4
547.80060	0.3
625.22565	0.4
625.31451	0.4
625.42493	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.1549
Annotation	Unknow
Peak:m/z	Relative Intensity
56.47874	0.5
67.05490	0.7
68.99760	0.5
70.06586	0.8
71.52483	0.8
83.04956	0.7
85.02900	0.7
91.05486	0.5
95.04943	0.8
98.97561	0.6
103.05440	0.9
105.03349	1.1
110.07142	0.8
111.04429	0.6
115.05425	1.6
119.04905	1.1
123.04427	34.9
124.19246	0.5
125.25247	0.5
129.03419	0.7
129.06963	0.8
130.64980	0.5
131.04897	2.1
134.94749	0.5
135.04385	1.6
137.02354	3.8
139.03857	1.2
143.04904	1.5
144.08070	0.7
145.02823	1.1
147.04408	10.1
155.04854	0.9
157.02837	1.0
157.06425	1.1
159.04424	2.4
161.05952	2.7
163.03896	4.5
169.06491	0.6
171.04422	4.3
173.05986	1.1
175.03929	2.0
175.07455	0.7
181.06400	0.5
185.02371	1.1
185.06000	1.4
187.03868	5.5
187.19705	0.5
189.05455	4.0
197.05974	0.8
199.03932	4.2
200.04694	1.9
201.05438	1.2
203.03392	78.2
203.07060	4.4
205.04897	1.6
205.06677	0.6
208.05211	1.0
211.03876	1.5
213.05464	4.1
215.03435	1.8
217.04930	2.4
221.05978	1.5
225.05507	0.9
227.03365	2.8
229.05002	1.2
231.06494	6.7
233.04378	5.1
236.04723	1.8
237.05418	6.0
239.03372	1.2
239.08688	0.8
245.04463	1.0
249.05482	2.1
250.06180	0.7
253.04996	1.0
255.02669	0.8
257.04459	1.3
264.04092	3.6
265.04935	2.0
269.04468	1.7
271.07983	1.2
277.04987	1.3
278.05762	1.1
279.06537	0.7
281.04306	0.7
285.09045	2.3
293.04495	0.8
295.07526	1.2
299.07153	0.6
311.05627	1.0
313.08667	3.4
317.08047	1.3
323.05896	2.1
325.08643	0.9
327.06512	0.9
340.07248	0.5
341.08087	3.9
345.07483	4.4
346.08487	0.6
347.09229	0.6
359.09174	5.2
363.08737	1.0
369.07489	4.5
373.07007	1.1
387.08627	27.7
391.08081	17.2
397.06888	1.2
405.09717	1.6
415.08157	18.4
428.94635	0.5
433.09189	100.0
434.09793	1.2
555.39160	0.5
625.21979	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	624.4833
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	3.2
55.01862	3.9
55.05512	15.7
57.03423	1.7
57.07059	3.3
67.05507	26.9
69.03419	4.2
69.07068	12.5
71.01206	3.9
71.04980	3.4
71.08637	8.1
79.05076	2.1
79.05499	22.5
80.45483	1.6
81.03436	12.8
81.07060	25.6
83.04977	5.5
83.08617	4.1
85.06532	2.3
90.73174	1.5
91.05498	12.1
93.07051	25.0
95.04981	14.6
95.08083	1.6
95.08624	22.2
97.06519	4.9
97.10146	5.4
99.08053	5.2
105.07025	10.4
107.08598	11.8
109.06499	2.6
109.10171	12.4
117.07020	4.5
119.08580	13.1
121.10144	14.1
123.08038	2.3
123.11707	3.0
129.06984	2.0
131.08554	5.5
133.10146	8.2
135.11682	7.5
137.09612	10.5
139.11183	4.7
145.10135	3.0
147.11652	6.2
149.09639	3.0
149.13245	4.4
151.11179	10.2
159.11638	3.8
160.82480	1.7
161.13263	5.8
163.11160	3.5
165.12730	4.1
173.13281	3.3
175.14825	1.6
179.14343	2.1
185.13274	3.4
203.12744	2.0
221.15337	2.1
226.39511	1.6
231.20969	1.9
241.19400	3.8
249.22136	2.7
259.20575	2.8
277.21625	100.0
286.21524	1.7
291.19510	2.4
295.22696	65.3
356.51132	1.8
417.33585	2.2
489.35272	2.1
624.28711	6.0
624.39203	6.4
636.35620	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	624.3593
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03962	1.0
55.01860	2.1
55.05513	8.5
56.92459	0.9
57.07069	4.3
59.04995	2.4
65.03935	1.2
67.05508	13.9
69.03430	8.3
69.07069	22.8
71.04997	11.7
71.08626	1.2
71.52753	1.1
79.05494	16.5
81.03416	4.0
81.07058	48.1
83.04981	4.5
83.08637	4.5
85.02914	5.3
85.06538	2.5
87.00830	1.2
91.05489	9.1
93.07050	42.7
93.07643	2.3
95.04964	4.5
95.08610	35.5
97.02894	100.0
97.06543	5.2
97.10172	2.4
98.03223	14.0
99.04512	1.3
105.01875	1.1
105.07042	12.5
107.04971	1.7
107.08595	25.4
108.08920	1.2
109.02853	1.2
109.06512	4.1
109.10162	26.9
111.08083	2.6
111.11713	4.7
117.07029	3.0
119.08575	14.8
120.04478	8.0
121.02853	7.4
121.06519	2.6
121.10146	59.4
121.71108	1.1
122.03183	1.7
122.07335	1.3
123.04450	2.4
123.08055	3.5
123.11707	35.0
125.05998	3.1
125.09674	1.3
127.03959	3.7
130.07738	1.6
130.84566	0.9
131.08582	3.7
133.10130	17.8
134.10480	5.0
135.08067	2.8
135.11700	23.0
136.08331	1.0
137.05916	1.5
137.09624	10.0
137.13268	4.1
138.09966	3.5
139.03874	1.2
139.07545	1.0
139.11150	4.7
145.10117	9.5
147.04436	1.7
147.11714	9.8
149.09636	2.4
149.13251	6.0
151.11215	3.8
153.12746	5.0
157.10167	1.7
159.11707	4.1
161.13237	2.6
163.03908	2.4
163.11201	10.9
163.14789	2.1
165.12784	2.4
167.10614	1.2
169.12247	1.7
171.11612	1.5
171.13858	2.3
173.13258	2.9
175.14832	2.0
177.05544	1.8
177.12766	1.8
177.16351	1.6
181.12228	13.8
187.13199	1.1
187.14799	1.6
189.16414	2.6
191.14325	5.1
192.14703	1.8
193.15849	1.7
199.13269	1.9
201.16486	1.1
203.17906	1.7
209.15497	1.3
211.16904	1.6
213.16516	1.4
215.17743	1.4
216.06564	1.9
217.04997	2.5
218.05495	1.4
229.19579	1.4
234.07631	3.6
253.07141	1.6
259.24347	1.1
261.22205	1.6
269.22641	6.3
281.17590	1.1
282.17892	1.3
287.23740	17.4
293.24725	6.3
305.24741	38.4
323.25821	31.1
438.12466	1.5
439.13052	1.2
624.21167	1.3
624.33380	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	624.3593
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03967	0.5
55.05314	0.4
55.05518	4.6
57.03421	0.6
57.07081	4.1
61.02914	0.6
63.33544	0.4
65.03929	0.8
67.05512	7.0
69.03433	3.0
69.07072	15.3
69.28487	3.2
71.04993	1.0
71.08630	1.4
79.05488	3.5
81.03421	1.3
81.06594	0.9
81.07059	19.3
83.04988	0.8
83.08156	0.7
83.08624	11.0
85.02889	1.7
85.06548	0.9
85.10169	0.7
91.05478	3.9
93.07053	9.8
95.04967	2.2
95.08608	17.3
97.02900	2.4
97.06529	1.5
97.10196	3.2
104.16922	0.6
105.07038	6.3
107.08598	13.3
109.06525	2.6
109.10155	14.5
111.08070	2.0
111.11720	1.4
119.08584	6.4
121.06507	1.6
121.09336	0.8
121.10152	12.8
123.08055	1.1
123.11702	6.5
125.05988	0.6
125.09620	1.2
127.03949	0.8
131.08539	2.0
133.10133	10.6
135.08069	0.7
135.11699	5.2
137.09628	10.1
137.13255	3.0
139.11157	1.0
143.08548	0.8
145.10127	1.2
147.08063	2.6
147.11710	5.6
149.09608	2.8
149.13264	6.3
151.11209	1.0
151.14836	1.1
153.09103	0.7
157.10165	1.2
159.11696	1.9
159.60402	0.5
161.09628	12.2
161.13263	2.1
163.03937	1.1
163.11157	2.1
163.14795	1.4
164.26164	0.5
164.78857	0.4
165.09105	7.4
165.12842	0.7
165.16313	0.5
167.10704	4.1
167.14331	0.6
173.13295	1.4
175.11232	2.3
175.14818	1.9
177.12810	0.6
177.16389	1.9
179.10658	4.8
181.12276	2.5
184.07222	0.6
185.13203	0.7
189.12823	0.6
189.16412	1.6
191.17999	1.4
193.12225	3.6
193.15872	1.3
195.80891	0.5
196.12389	0.5
199.42830	0.5
201.16470	0.8
203.17944	1.5
209.19041	0.9
213.16405	0.7
217.16029	0.7
231.17488	1.2
245.22694	3.1
249.18753	0.8
259.24213	2.0
261.25943	0.7
269.22565	1.7
274.53000	0.6
287.23682	3.2
305.24768	13.3
321.32855	0.6
323.25818	100.0
324.26260	1.4
335.32413	0.5
341.26901	27.3
364.42920	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	624.3593
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.2
55.01862	1.7
55.05511	8.7
57.03428	1.6
57.07085	5.4
59.04992	3.2
65.03924	1.7
67.05511	16.6
69.03435	7.6
69.07071	22.8
70.56570	1.5
70.56885	1.6
71.01355	1.3
71.05004	10.4
71.08627	0.8
72.92378	0.8
79.05068	1.5
79.05498	18.3
81.03410	2.8
81.07063	49.5
82.07354	1.1
83.04989	3.2
83.08638	6.5
85.02919	4.8
85.06525	2.1
87.00832	1.7
91.05483	9.6
93.07050	47.1
95.04971	4.6
95.08614	30.5
96.04486	1.1
97.02898	100.0
97.06523	5.6
97.10164	2.2
98.03237	14.0
99.04427	1.3
105.01861	2.5
105.03393	2.2
105.07037	15.3
107.04950	2.6
107.07877	1.7
107.08601	31.1
109.02895	1.8
109.06509	5.3
109.10165	26.5
109.11727	1.0
109.21986	0.8
111.08089	2.4
111.11716	4.0
117.07019	1.8
119.08582	13.7
120.04447	5.1
121.02877	5.7
121.06513	2.3
121.10152	56.5
122.03241	1.4
123.04424	3.0
123.08047	2.6
123.10830	2.0
123.11717	32.9
125.06001	2.3
125.09641	1.0
127.03946	2.3
127.07584	0.9
129.07027	1.1
131.08545	3.2
133.10149	16.6
134.10464	3.5
135.08047	3.0
135.11702	24.6
136.08357	1.1
137.05884	1.2
137.09624	10.4
137.13242	3.5
138.09964	3.0
139.11218	5.2
143.08563	1.7
145.04893	1.3
145.10126	9.3
147.04385	1.9
147.11720	9.6
149.09654	2.1
149.13292	7.1
151.11215	4.9
153.12749	7.6
154.08601	1.0
155.10707	1.0
157.10156	1.4
159.11732	4.2
161.13261	3.5
163.03906	2.3
163.11166	12.5
163.14822	2.3
165.12773	3.6
167.10751	2.0
169.12241	2.1
171.11681	1.4
171.13835	3.0
173.13275	3.4
175.11115	1.1
175.14850	2.5
177.05550	1.3
177.12738	1.0
177.16330	1.4
181.12242	16.7
185.13234	1.2
187.14882	1.7
189.16306	1.5
191.14311	5.2
192.14680	2.5
193.15889	2.5
199.13275	2.3
199.14874	1.3
201.16383	1.0
203.17995	1.5
209.15218	1.0
210.15668	1.5
211.16791	1.3
213.16364	1.7
216.06564	1.2
217.04916	3.2
218.05284	1.7
219.06580	1.7
220.06834	0.9
229.19513	1.6
231.05037	1.1
234.07585	2.8
235.06027	1.7
237.07521	1.4
245.22690	1.2
247.20561	1.5
253.07135	1.6
259.24274	0.9
261.22308	1.2
267.86734	0.9
269.22641	4.8
275.23685	2.8
277.25168	1.0
287.23718	17.6
293.24823	6.0
305.24771	43.5
323.25836	32.6
327.12283	1.0
438.13254	1.3
439.12943	2.6
535.29028	1.3
553.30017	1.0
624.21350	2.7
624.32825	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	624.2655
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	0.3
55.05506	0.7
57.07067	0.4
65.81632	0.2
67.05510	2.6
69.03417	1.5
69.07067	0.4
69.32153	1.7
71.04993	0.4
72.08154	0.2
78.03455	1.4
79.04236	0.3
79.05476	0.6
80.05013	0.9
81.03410	0.4
81.07053	1.2
83.04967	0.5
85.02899	1.0
85.06545	1.8
91.05475	0.7
93.07050	1.2
95.04967	0.8
95.08611	12.8
96.04497	0.8
97.02894	100.0
98.03185	0.3
105.07043	1.6
106.02916	5.5
107.03661	0.4
107.08596	1.7
109.06510	0.5
113.06037	1.6
119.08592	3.3
120.08081	0.3
121.06483	0.5
121.10143	1.7
123.04449	0.4
123.08065	4.9
123.11784	0.3
124.03954	33.9
125.09598	0.4
131.08540	0.6
133.06442	0.4
133.10143	0.9
135.04417	0.4
135.11711	2.6
137.09605	0.7
138.05492	0.3
138.15907	0.3
139.03873	0.2
145.04898	0.3
145.10066	0.7
147.08018	0.7
147.11670	1.6
149.09633	5.9
151.07526	0.4
151.14806	0.5
161.13251	2.3
163.03879	1.1
163.11177	0.9
165.12782	1.6
171.11636	0.6
174.10323	0.6
179.14267	0.6
189.12756	3.7
196.06084	0.8
207.13812	14.9
220.06050	24.1
225.14864	1.0
238.07108	17.7
248.70296	0.2
256.05585	0.3
256.08188	5.2
317.06458	0.5
331.15250	0.3
376.21506	0.3
382.10989	0.3
400.12402	21.5
418.13507	1.8
462.21173	0.5
606.24872	1.1
624.26349	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.3427
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02359	1.2
53.03949	4.1
53.96473	0.8
55.01867	4.2
55.05272	0.9
55.05516	13.0
56.96559	1.1
57.03436	5.8
57.07093	0.8
59.04966	1.0
61.02929	18.1
65.03933	2.7
67.05505	36.3
68.57784	0.8
69.03439	7.6
69.07070	11.7
69.21447	2.0
69.21856	6.7
71.04987	4.5
72.08150	0.8
73.02918	6.5
77.03911	1.8
79.05494	26.6
81.03421	8.0
81.07058	28.6
83.04972	3.2
83.08624	10.0
85.02911	15.9
85.06549	3.1
91.03957	7.7
91.05480	37.1
93.06480	1.7
93.07049	25.5
95.04971	8.0
95.08614	19.8
97.02894	8.9
97.06546	5.3
97.10181	4.4
99.04449	2.3
99.08088	1.1
101.02364	1.2
103.05455	2.2
105.03419	1.2
105.04558	0.9
105.07037	29.3
107.04960	6.3
107.08604	13.7
109.02880	2.2
109.06520	4.4
109.10161	10.8
110.10489	1.2
111.04420	0.9
111.08077	3.7
115.03960	1.1
115.05446	3.4
115.16164	0.9
116.06248	1.4
117.07017	21.4
119.04909	1.6
119.08591	17.4
119.09389	0.6
121.06507	4.6
121.10153	7.9
123.04457	1.8
123.08080	4.3
125.09625	2.5
127.03903	3.5
128.06209	7.4
129.07005	27.1
131.04948	1.2
131.08575	27.5
133.06516	5.2
133.10135	11.1
135.08058	5.2
135.11694	5.3
137.09584	1.8
137.57477	0.7
139.03882	0.9
139.11191	1.2
141.06987	11.1
142.07785	3.0
143.08566	20.5
145.04958	1.7
145.06491	6.2
145.10135	15.2
147.04477	1.2
147.08084	4.1
147.11664	5.0
149.09627	4.6
149.13225	1.4
151.11156	2.0
153.07011	2.0
154.07774	1.6
155.08553	16.9
157.06482	2.8
157.10141	14.5
159.08089	4.1
159.11688	8.9
161.09663	2.8
161.13220	1.4
161.68709	0.8
163.03912	2.0
163.11189	3.5
165.07022	2.6
165.17656	0.9
166.07747	1.2
167.08543	8.0
168.09344	1.6
169.10147	11.9
171.08067	3.3
171.11693	9.4
173.09676	3.3
173.11826	1.6
173.13313	3.0
173.86856	0.8
175.09711	0.8
175.11214	2.7
177.12714	1.8
179.08559	3.3
181.06836	1.0
181.10109	9.5
182.10768	1.3
183.08141	0.9
183.11673	6.4
183.26614	1.0
185.09685	2.6
185.13297	5.8
187.11160	2.5
187.14870	2.5
189.11206	1.1
189.12741	1.9
189.16299	1.0
190.23022	0.9
191.10664	1.1
193.10138	3.8
193.12108	0.8
195.11665	8.6
197.09666	1.8
197.13219	5.7
199.11118	2.1
199.14833	2.9
201.12740	2.9
203.14310	2.9
207.11766	4.5
207.13570	1.3
209.13271	5.7
211.11217	1.4
211.14868	2.6
213.12781	3.6
215.14407	4.1
217.15831	1.5
219.11682	1.0
221.13293	6.0
221.15094	1.0
223.14896	4.9
225.12746	2.0
225.16371	3.3
227.14359	1.8
229.07437	1.6
229.14206	2.1
231.13777	1.9
231.17453	1.2
233.13414	1.2
235.14830	4.8
237.12781	1.0
237.16550	1.1
239.14314	2.5
241.15955	2.0
243.13783	1.7
243.17413	1.5
245.15451	1.7
249.16534	1.5
253.16130	1.4
254.14659	1.0
257.15408	2.8
259.17062	2.0
262.14374	1.0
269.15201	1.1
271.16949	2.6
273.18549	1.5
285.18463	1.4
289.18015	1.1
305.22739	1.2
323.20255	1.0
323.23724	3.5
333.22113	8.7
341.24683	5.1
351.23181	33.0
359.25623	1.4
369.24231	28.6
377.09128	1.1
387.25366	15.0
389.24582	1.1
407.25726	2.0
415.28290	2.1
425.26740	7.1
433.29037	1.1
443.27939	100.0
444.28186	1.8
461.28979	72.4
485.29071	1.7
503.29868	2.0
551.29462	1.4
569.31293	0.8
591.32721	1.5
605.33203	2.4
623.33313	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.3427
Annotation	Unknow
Peak:m/z	Relative Intensity
50.75420	2.0
51.36148	1.8
53.03945	6.3
55.01869	4.3
55.05515	20.2
57.03431	7.6
61.02945	11.2
65.03931	2.7
67.05503	38.9
69.03432	11.6
69.07078	13.7
69.46998	1.8
71.04990	3.7
71.52637	2.1
73.02914	6.0
79.05490	29.8
81.03424	29.7
81.06592	2.7
81.07060	38.1
83.04983	10.2
83.08613	11.2
85.02908	14.9
86.54362	2.2
91.03944	3.4
91.05484	28.4
93.07047	25.5
95.04964	22.2
95.08617	17.1
97.02884	13.4
97.06549	5.6
97.10179	11.8
99.04382	3.0
99.08077	2.2
103.05505	2.0
105.04519	1.9
105.07036	26.4
107.04979	9.5
107.08596	18.3
109.02886	6.2
109.06535	6.4
109.10183	10.0
111.04432	4.6
111.08123	4.6
117.07002	10.7
119.04924	2.3
119.08594	11.8
121.06510	10.5
121.10149	9.0
123.04438	5.4
123.08054	5.2
123.11724	4.2
125.09631	9.5
127.03914	3.1
128.06244	3.4
128.07716	1.8
129.07019	11.9
131.08580	17.4
133.06512	6.1
133.10138	10.1
135.08041	5.3
135.11696	5.7
141.06981	4.5
143.08556	8.5
145.06532	11.3
145.10124	10.6
147.08061	5.9
147.11682	5.8
149.09668	3.6
149.13264	6.0
153.09064	2.7
155.08537	5.4
157.10150	8.4
159.08099	3.8
159.11729	6.4
161.09613	4.1
163.03963	2.5
163.11183	6.5
169.10094	2.3
171.08035	4.5
171.11684	4.1
173.09680	2.0
175.11252	3.0
177.12840	4.6
181.10031	1.9
183.11659	3.1
185.09683	2.0
189.11244	2.7
193.12260	6.7
195.11853	2.2
195.13834	3.4
195.55174	1.8
197.09656	2.8
197.13271	3.7
199.14771	3.8
203.14351	2.6
211.13248	6.0
217.15930	3.6
227.12727	2.5
235.13271	3.8
249.14935	2.2
261.14929	2.6
267.15863	5.1
269.10672	3.5
269.17395	5.4
273.18478	2.3
291.19870	2.2
295.23163	2.1
315.17807	2.2
341.24792	4.6
351.23160	6.1
369.24228	15.8
387.25262	7.6
390.42770	2.1
405.25739	1.8
425.27197	2.1
435.27237	3.4
443.27994	21.0
461.29001	100.0
473.28714	2.5
479.29800	5.3
485.29050	2.1
503.29813	7.1
519.34332	2.0
527.30109	3.1
551.29968	3.4
565.57733	2.2
569.30957	3.2
587.32166	5.6
605.33069	8.4
623.34778	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	623.2865
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05458	0.5
57.07014	0.5
58.12804	0.3
67.05417	2.0
69.06993	0.7
69.16474	2.5
71.08576	0.5
79.05401	1.2
79.05822	0.5
81.06953	1.5
83.08543	0.6
91.05367	1.0
93.06940	1.4
95.04865	1.0
95.05393	0.3
95.08509	1.2
97.10104	0.5
99.07993	0.4
105.06932	0.8
106.07301	0.3
106.66061	0.3
107.04792	0.3
107.08483	1.0
109.06444	0.4
109.10064	0.5
117.06995	0.5
119.08522	0.6
121.10040	0.8
122.70675	0.3
131.08517	0.5
135.08015	0.4
137.09521	0.6
143.08476	0.3
145.10011	0.4
151.11104	0.4
163.11064	0.3
171.11597	0.3
197.10530	0.4
243.32106	0.3
275.20200	0.7
277.21661	2.8
278.21777	1.4
279.94794	0.3
291.19235	0.4
293.20895	0.3
295.22711	2.1
296.22928	1.4
327.10696	0.3
389.17926	0.5
400.17078	0.3
403.19882	0.3
404.20224	0.9
413.17914	0.7
414.18445	1.3
415.19479	1.5
416.20325	0.5
417.21011	0.7
418.17340	0.6
419.17950	0.6
419.22473	0.8
420.23373	0.3
426.13672	0.3
427.19376	0.7
428.20251	0.8
429.20874	5.5
430.21649	1.1
431.18542	1.0
432.19281	0.7
433.24777	1.6
434.20761	0.8
441.17023	0.3
443.22681	4.0
444.23758	2.4
445.19455	0.5
445.24298	0.8
446.21136	0.6
447.12680	0.3
447.21774	1.5
448.22162	0.5
449.23160	1.3
456.19553	0.6
457.19205	0.7
457.24008	1.4
458.25073	2.4
459.21756	3.8
460.22537	1.3
461.19278	1.3
461.23743	1.3
462.20612	1.9
463.21478	0.6
470.21155	0.8
471.21750	1.5
472.22720	3.1
473.24127	1.9
474.19928	0.5
475.21356	1.3
476.21701	1.7
477.23083	2.7
485.23419	5.4
486.24258	1.4
487.25125	3.1
488.22058	0.6
489.22577	0.9
503.24783	2.4
505.22113	0.4
507.23727	0.4
513.22430	0.4
517.26324	4.0
519.23816	0.5
520.24695	0.6
521.21039	0.6
531.23962	4.9
532.24298	0.4
535.25812	0.9
536.22632	0.3
545.25500	42.4
546.26190	1.6
548.24402	0.5
563.26422	11.4
564.26868	0.4
577.28217	0.8
591.25616	0.9
605.27545	4.9
623.28650	100.0
624.28906	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.287
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	0.4
55.05508	1.0
62.80762	0.3
67.05508	1.7
69.07061	0.8
75.57775	0.2
79.05492	1.4
81.03407	0.3
81.07058	2.1
83.04998	0.4
83.08624	0.7
91.05495	1.9
93.07054	1.5
95.04955	0.4
95.08598	1.1
97.06558	0.4
97.10174	0.4
104.40946	0.3
105.07033	1.6
107.08620	1.2
109.10177	0.7
117.07011	0.6
119.08592	0.9
121.10132	0.4
125.09686	0.4
129.07005	0.4
131.08589	0.9
132.80275	0.3
133.10167	0.7
143.08606	0.6
145.10121	0.9
145.92311	0.3
149.09650	0.6
155.08600	0.3
157.10164	0.8
159.11723	0.5
171.11736	0.4
173.13315	0.4
183.11702	0.3
184.25931	0.3
188.18646	0.2
189.11188	0.3
195.11678	0.3
203.33989	0.3
219.09248	0.3
237.13828	0.3
239.47713	0.3
249.13907	0.3
257.19238	0.4
275.20172	1.2
326.16724	0.3
350.50699	0.3
357.12097	0.3
375.16058	0.5
388.17154	0.3
389.17792	1.4
390.18488	0.7
391.19394	0.5
401.17856	1.1
402.18585	1.0
403.19556	1.6
404.20172	1.1
405.21039	1.7
415.19632	1.3
416.20502	1.5
417.17017	2.0
417.21988	2.0
418.17432	0.5
418.22260	0.4
419.22626	4.9
428.16257	0.5
429.17059	1.0
430.17938	1.0
430.22604	0.4
431.18698	3.1
431.22870	2.2
432.18948	2.0
433.20123	2.5
435.22058	0.5
442.17725	0.5
443.18649	3.7
444.19525	0.9
445.20126	9.3
446.21045	4.8
447.22202	5.1
449.23779	1.4
450.24487	0.7
457.20456	1.3
458.21317	1.0
459.22131	3.1
460.22757	0.6
461.19223	1.8
462.20239	1.7
463.21182	2.3
471.22403	0.4
472.22079	0.3
473.23468	0.9
475.20734	1.6
476.22061	4.3
477.22955	6.0
478.23596	0.8
487.20880	0.5
489.23203	1.9
490.23666	0.6
491.20602	0.5
491.25003	0.3
501.23169	0.4
503.24283	1.0
505.22922	0.4
505.26761	0.6
508.25092	0.5
518.23413	0.3
521.22229	1.1
525.35925	0.6
531.23737	0.6
532.24591	0.4
533.25549	16.3
534.26270	0.3
535.26868	0.8
545.25659	1.4
561.25409	0.5
563.26538	17.9
564.26740	0.3
565.28131	0.5
591.25665	0.6
592.26538	0.5
593.27704	4.9
595.28937	0.3
605.27509	1.4
605.42114	0.4
623.28687	100.0
623.42798	2.6
624.28967	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.286
Annotation	Unknow
Peak:m/z	Relative Intensity
52.02027	0.2
53.03941	0.2
55.05504	0.5
57.03415	0.2
57.07067	0.2
67.05506	0.8
69.07064	0.7
69.71732	0.9
70.23727	0.2
71.08633	0.3
79.05484	0.7
79.92366	0.2
81.03410	0.2
81.07069	0.9
83.05007	0.2
83.08623	0.2
85.10176	0.3
91.05478	0.5
93.07047	0.7
95.04980	0.3
95.08600	0.7
100.24072	0.2
105.07027	0.6
107.08612	0.4
109.10141	0.2
117.07023	0.2
119.08621	0.3
121.06615	0.2
121.10125	0.2
131.08630	0.2
132.08115	0.2
132.09035	0.2
133.10075	0.2
139.11189	0.3
147.11710	0.3
151.11150	0.3
159.11658	0.3
182.09610	0.2
184.24716	0.2
221.10670	0.3
223.12320	0.5
224.13240	0.2
237.14017	0.2
257.18951	0.2
275.20007	1.0
276.20398	0.6
277.21597	0.8
278.21948	0.5
293.21170	0.6
294.21429	0.2
295.22705	0.8
296.23169	0.3
374.15607	0.2
375.15918	0.3
377.17599	0.4
387.16528	0.2
388.16888	0.4
389.17816	0.9
390.18759	0.2
391.19199	1.1
392.19788	0.4
399.16367	0.2
400.17822	0.2
401.17850	0.6
402.18387	0.8
403.19418	1.7
404.19971	0.7
405.17407	0.3
405.21057	2.2
406.21494	0.4
407.22418	1.2
415.19397	1.6
416.20193	0.7
417.16913	1.1
417.21808	1.6
418.17807	0.8
418.22379	0.4
419.17725	0.3
419.22812	3.0
420.23474	0.9
421.24094	0.4
428.16068	0.3
429.16824	0.6
429.21091	0.6
430.17981	1.3
431.18024	3.1
432.18665	1.7
433.20166	5.7
434.21124	0.5
435.21793	0.6
443.18036	1.7
444.18982	1.7
445.19983	3.3
446.21173	2.2
447.21918	4.0
448.23300	1.0
449.23236	0.5
456.19498	0.2
457.20190	0.7
458.20953	6.6
459.21741	5.2
460.22693	3.6
461.18982	1.0
462.20670	0.7
463.21262	2.3
465.22900	0.4
471.22110	0.5
472.22601	0.5
473.23819	0.8
475.20575	1.1
476.22134	1.3
477.22952	1.6
478.23459	0.3
485.23895	0.5
486.25006	0.4
487.25519	0.8
489.19171	0.5
489.23453	0.2
490.23798	0.4
491.24567	0.6
502.24066	0.3
503.19818	0.3
503.24442	0.5
504.25275	0.3
505.26746	0.4
513.23291	0.4
517.22266	0.7
517.26776	0.3
518.23071	4.8
519.23798	0.5
521.21686	1.3
530.22961	0.4
531.23962	0.7
532.24677	0.3
533.25519	8.0
534.25970	0.4
535.27686	1.8
545.25354	3.3
546.26007	1.3
548.24054	0.2
563.26471	4.9
564.26611	0.2
565.27930	0.4
573.25116	0.9
577.27924	0.7
590.25122	0.2
591.26080	0.6
593.27332	0.4
594.24402	0.2
605.17542	0.4
605.27600	12.1
623.28619	100.0
624.29089	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.2862
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23074	0.3
55.05507	0.9
57.07074	0.3
67.05495	1.4
69.07078	0.6
69.71329	2.0
69.71904	0.3
71.08628	0.5
75.61568	0.3
79.05477	0.7
81.03400	0.4
81.07075	1.2
83.08601	0.5
91.05481	1.1
93.07050	1.1
95.08606	0.8
105.07047	0.7
107.08614	0.6
107.38441	0.4
109.10136	0.5
119.08569	0.4
121.10132	0.5
128.97719	0.3
131.08501	0.5
135.08153	0.3
145.10205	0.4
166.29977	0.4
209.10657	0.5
226.14314	0.4
231.86969	0.4
275.19974	0.5
277.21692	0.7
278.22205	0.5
289.17908	0.5
295.22754	0.9
317.50562	0.4
363.16119	0.4
376.17523	0.4
377.17776	0.4
389.18259	0.6
390.18518	1.2
391.19177	1.1
392.20129	0.5
401.17859	0.4
402.19604	0.4
404.15945	0.5
405.20926	4.0
410.87375	0.5
413.17688	0.5
414.18628	0.8
415.19241	1.6
417.20831	1.0
418.17651	0.7
419.18781	1.4
419.23242	0.5
420.23157	1.3
421.24142	0.9
427.19482	0.5
428.20309	0.6
429.20859	2.5
430.21786	0.9
431.17984	0.5
431.22900	0.8
433.19760	3.2
435.21988	0.4
442.21741	0.4
443.22394	0.7
444.23090	1.1
445.19769	0.7
445.24701	0.6
446.17242	0.8
447.17813	8.2
448.22699	2.7
449.23154	2.2
452.22266	0.6
456.19385	0.4
457.23801	1.3
458.24603	1.2
459.21527	3.4
460.22867	1.8
461.19363	8.9
462.20267	0.6
463.21323	1.2
470.21881	0.5
472.22574	1.5
473.23315	1.2
475.21408	1.4
476.22021	19.7
477.22375	2.4
479.20868	1.1
485.23477	4.7
486.20169	1.0
487.25320	2.0
488.22067	0.8
489.18488	0.8
500.22195	0.5
503.24710	3.6
513.23297	0.6
515.24573	2.0
517.25964	1.2
518.23230	0.6
519.23584	2.0
521.26038	2.2
526.63129	0.4
531.23932	7.3
535.24536	0.6
536.23749	0.9
545.25562	11.8
547.27063	0.8
549.24945	4.9
559.23419	1.6
563.26483	8.6
564.26361	0.5
578.45068	0.4
591.26068	10.3
605.27637	1.8
623.28613	100.0
624.29272	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.2864
Annotation	Unknow
Peak:m/z	Relative Intensity
70.79612	0.5
70.79979	0.4
90.96020	0.3
99.86951	0.4
138.62906	0.3
139.43892	0.3
147.63698	0.3
194.97948	0.2
203.54237	0.3
210.11479	0.4
223.12320	0.4
237.14024	0.4
304.97476	0.3
375.16891	0.4
377.17319	0.5
378.18817	0.5
388.17380	0.5
389.18277	0.5
390.18555	0.8
391.19275	2.0
392.19934	2.0
393.20764	1.2
399.16223	0.3
400.16745	0.6
401.17798	0.8
402.19064	0.3
403.19675	0.7
404.20291	0.8
405.20886	2.6
406.21445	3.3
407.22351	8.6
413.17746	0.6
414.18573	0.7
415.19064	1.8
417.20892	0.5
418.21783	0.7
419.22366	1.1
420.23169	1.8
421.23834	7.9
422.24673	1.8
427.19501	0.7
428.19980	0.9
429.20840	4.1
430.22165	0.7
431.22400	0.8
432.19644	0.8
433.15588	0.4
433.20044	0.7
433.24261	0.8
434.20392	0.4
442.21616	0.8
443.22815	2.5
444.23895	1.5
445.20239	1.4
446.21542	0.3
447.18112	1.2
447.22824	0.5
448.18411	0.4
449.23108	0.6
455.18970	0.3
457.23972	1.2
458.25027	1.7
459.22092	2.5
460.22919	1.7
461.19183	3.4
462.20633	1.0
463.21420	0.9
470.21243	0.6
471.22360	0.4
472.22681	2.3
473.19125	0.8
473.24402	0.4
474.20633	0.6
475.21280	5.1
476.21570	3.9
477.22443	2.3
478.23843	0.5
484.18887	0.5
485.23721	3.9
486.19327	1.3
486.24939	0.4
487.21609	1.0
488.22223	1.1
489.22995	2.4
490.24060	0.3
493.26065	0.4
499.21222	4.8
500.21780	1.2
503.24557	7.2
504.22696	0.5
505.22449	1.1
507.23517	0.7
508.28699	0.9
513.22974	1.6
514.23987	0.9
515.24298	0.7
517.25916	1.4
518.23340	0.5
521.25690	0.8
529.26105	0.8
531.23975	0.7
535.27142	4.6
545.25482	25.0
546.26044	0.5
563.26489	1.1
564.27521	1.8
573.25012	7.5
577.27979	1.1
591.26056	2.0
605.27594	14.3
606.28253	0.4
623.28632	100.0
624.29083	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.286
Annotation	Unknow
Peak:m/z	Relative Intensity
69.66116	1.8
70.31995	0.4
73.47384	0.4
82.52124	0.4
86.93353	0.4
88.10455	0.4
93.01118	0.4
98.43924	0.4
101.24564	0.4
134.24745	0.4
136.16907	0.5
162.52634	0.4
218.52525	0.4
237.13858	0.5
298.13443	0.5
310.13318	0.5
376.17307	0.5
377.17535	0.9
387.16370	0.4
389.18341	0.7
390.18777	0.8
390.60666	0.5
391.19272	2.5
392.19879	2.3
393.20605	1.1
399.16324	0.7
400.16898	1.1
401.17758	1.3
403.19934	1.0
404.20529	1.5
405.20911	3.9
406.21692	3.1
407.17029	0.6
407.22345	11.9
413.17938	1.1
414.18506	2.3
415.19229	4.1
416.20132	0.7
417.20923	0.9
418.22180	0.5
419.17999	0.9
419.22623	1.4
420.23175	2.0
421.23901	9.1
422.24792	1.9
427.19516	1.8
428.20041	2.2
429.20877	9.8
430.21652	2.4
431.23026	1.1
433.20148	1.7
433.24777	1.0
434.24695	0.7
442.21686	1.5
443.22684	7.1
444.23514	3.4
445.19983	2.0
446.20825	0.6
447.17911	1.2
449.23193	0.7
456.19531	1.0
457.24936	3.2
458.25018	5.7
459.21951	6.4
460.23300	2.1
461.19089	4.5
462.20502	1.6
463.21716	0.6
470.20972	1.7
471.22156	1.4
472.22733	5.8
473.24347	1.9
474.20178	0.6
475.21207	5.2
476.21689	4.3
477.22601	3.1
484.19022	0.7
485.23575	12.5
486.20270	2.3
486.24341	2.4
487.20435	0.6
487.25488	0.8
488.22174	1.4
489.23138	2.7
499.21109	4.2
500.22211	1.6
502.24216	1.0
503.24515	7.1
504.25369	0.6
507.23807	0.7
508.28607	0.6
513.23120	3.4
514.23700	1.6
515.24310	1.2
517.26251	6.9
521.25659	0.9
529.25964	1.8
530.23322	0.8
531.23889	1.1
535.27216	4.6
545.25543	72.8
546.25940	2.0
562.25848	0.7
563.26373	0.9
564.27618	1.0
573.24951	17.1
591.25995	1.0
605.27625	87.4
606.28265	1.7
623.28656	100.0
624.29468	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	623.27
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46255	0.2
53.03945	0.3
55.01872	0.3
55.05515	0.5
57.07067	0.2
57.42102	0.2
59.04988	1.0
64.20512	0.2
64.97153	0.3
65.03960	0.3
67.05510	1.4
69.03429	1.3
69.07066	0.8
69.28226	0.8
69.28641	1.5
71.05003	0.4
77.03941	0.3
79.05492	1.2
81.03410	0.3
81.07068	2.0
83.04983	0.3
85.02918	0.7
91.05500	1.5
93.07040	1.7
95.04971	1.1
95.08612	1.5
97.02897	100.0
97.10182	0.2
98.03224	0.3
98.21549	0.6
99.04470	0.3
101.06029	0.3
105.03400	4.8
105.07038	2.3
107.04984	0.6
107.08591	4.9
109.06532	1.5
109.10157	1.8
111.04440	0.3
115.05456	0.4
117.07013	0.3
119.04935	0.9
119.08592	2.3
121.02877	5.7
121.06554	0.4
121.10142	2.2
122.07307	0.5
123.04439	7.2
123.08078	2.0
123.11682	0.6
124.04768	2.1
127.03945	0.4
131.08553	0.7
133.10143	9.3
135.08058	1.9
135.11655	1.5
137.05994	0.4
137.09625	12.7
139.03917	1.2
145.10146	0.5
147.04422	5.3
147.07939	0.4
147.11739	1.5
148.04770	2.1
149.09644	0.7
149.13261	0.9
151.03905	0.9
153.09123	0.7
159.11749	0.4
161.06004	0.7
161.09677	0.4
161.13255	1.4
163.03891	1.8
164.04303	0.6
165.05531	0.5
166.05847	0.3
171.11736	0.3
173.13297	0.7
175.03882	0.3
175.07515	0.6
177.05437	0.5
189.05566	1.3
189.12755	1.0
190.05843	0.8
191.14337	3.9
195.08324	0.3
207.06555	0.4
207.13771	1.6
209.15422	2.0
214.71045	0.4
217.04991	3.5
219.06552	3.6
225.14859	0.6
235.06102	1.7
237.07578	3.1
243.06584	0.3
253.07106	1.3
267.06348	0.4
268.06879	0.5
281.17545	0.5
285.07565	2.7
286.07947	2.4
287.16513	0.3
292.09064	0.4
297.07550	0.4
298.07944	0.3
305.24829	0.6
305.42926	0.3
323.25961	0.3
381.12045	0.4
437.12311	1.8
438.12720	6.3
439.13126	0.2
623.20288	3.3
623.30908	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.2502
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	3.2
55.01862	3.3
55.05516	15.9
57.03426	2.3
57.07074	2.3
65.03938	1.6
65.89748	1.1
67.05507	19.2
69.03414	1.9
69.07068	9.5
69.36181	9.5
71.04997	2.0
73.21396	1.1
79.05497	16.3
81.03426	7.7
81.07056	17.1
81.36270	1.1
83.04970	2.6
83.08614	6.6
85.06550	1.2
91.05486	15.0
93.07047	14.3
95.04961	3.5
95.08606	15.4
97.06515	1.6
97.10166	7.3
98.20792	2.6
101.20488	1.2
103.89285	1.1
105.07026	13.2
107.04961	1.9
107.08599	10.9
109.06477	1.7
109.10141	7.8
111.08086	1.2
115.05454	1.7
117.07033	5.5
119.08576	8.0
121.06526	1.1
121.10146	5.1
123.11761	1.1
125.09685	5.9
127.70179	1.2
128.06206	1.8
129.07040	6.6
131.08594	8.8
133.10158	7.6
135.08052	2.8
135.11681	2.2
141.06989	3.3
143.08594	8.4
145.10114	9.6
147.08080	2.0
147.11748	5.0
149.09584	1.6
155.08578	5.7
157.10153	6.8
159.08038	1.7
159.11685	6.3
161.13240	2.4
167.08560	2.9
169.10120	6.9
171.11702	5.2
173.05978	1.4
173.13283	3.4
179.08574	1.3
181.10132	4.5
183.11737	7.4
185.13268	2.9
189.11267	1.9
193.10201	1.4
195.11703	3.4
197.13292	3.9
199.11403	1.3
199.14783	1.9
205.10123	1.3
207.11688	2.3
209.13344	2.7
211.11214	1.3
211.14897	1.7
219.11617	1.6
221.13249	1.7
223.14906	3.1
225.16461	1.9
227.12785	3.9
233.10770	1.2
237.16393	1.5
239.14372	1.4
246.11357	1.3
249.16476	1.3
251.14236	1.6
257.18832	1.5
257.31949	1.3
259.20554	2.5
273.18604	1.6
275.20193	2.3
291.19626	5.2
307.20981	1.2
315.23209	2.2
335.20761	1.2
357.24591	1.5
362.15640	1.4
377.17609	2.8
378.18570	1.6
379.30002	2.8
389.00647	1.1
391.19046	3.1
393.20856	1.2
401.17847	2.7
403.19217	1.2
405.21072	1.9
407.22375	3.5
413.17642	2.5
414.18539	2.0
415.19235	3.9
418.18170	1.6
419.18610	2.6
421.20099	2.2
428.20337	1.6
429.16626	1.5
429.21347	1.7
430.22311	1.7
431.18524	1.4
433.16290	2.1
435.21848	2.3
443.22498	3.6
444.19226	3.5
445.20248	2.2
447.18274	5.2
448.19061	1.4
456.19327	1.4
457.20337	1.2
458.21024	2.7
461.19797	3.3
462.20123	1.7
463.20737	1.7
471.22549	7.2
472.18588	2.1
473.19577	3.5
474.20300	4.0
475.21863	1.7
485.19479	1.6
486.20535	4.4
489.23895	6.4
490.19830	5.4
491.20908	4.1
499.21353	20.6
500.18088	2.9
501.23331	5.5
503.20889	4.9
507.23837	2.8
514.20093	2.2
516.21619	2.4
517.22589	13.6
525.36041	3.7
527.20868	2.5
529.22498	10.3
531.19897	1.3
531.38232	2.3
535.23627	4.0
536.23981	1.5
545.21844	46.2
549.38727	1.8
555.20062	1.5
563.22876	1.6
564.24017	1.9
573.21326	12.2
589.56805	1.4
605.23944	88.2
605.40582	8.5
623.25031	100.0
623.43005	54.0
624.25995	1.5
625.02942	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	622.2032
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02375	0.7
51.27787	0.3
53.03938	0.3
55.01665	0.3
55.01871	3.2
59.84847	0.3
65.03956	0.4
67.05489	1.1
68.99794	2.0
69.07051	0.6
70.56772	0.7
70.57108	0.4
77.03928	0.7
79.05466	0.5
81.03415	0.5
83.01331	0.5
84.08156	0.5
85.02899	0.5
86.84464	0.3
91.05487	2.5
95.04964	0.8
97.02878	1.9
105.03408	0.5
105.07008	0.7
105.27291	0.3
107.04941	0.4
109.02889	0.4
109.10157	0.4
111.04486	0.3
115.05473	0.5
117.07029	0.3
119.04945	3.9
121.02892	0.3
121.06468	0.4
123.04429	53.9
125.02345	2.4
128.06213	0.4
129.06985	1.4
130.04343	0.3
131.04955	0.5
133.06503	1.3
135.04405	0.4
137.02324	0.7
139.03903	20.2
140.04619	0.3
141.01840	1.6
141.06976	0.8
143.04904	1.4
147.04414	32.5
149.02367	0.3
151.03862	1.8
153.07022	0.8
155.08531	0.8
156.07661	0.3
157.06494	2.4
159.04416	0.8
160.05220	0.4
161.05994	3.0
163.03903	16.8
165.05472	4.3
165.06927	0.7
167.03415	0.4
169.06485	3.1
170.05447	0.3
171.04469	0.9
171.06393	7.7
171.07922	0.3
173.06038	1.5
174.57057	0.3
175.03975	0.9
175.07547	15.7
177.05472	0.5
181.06508	1.6
183.08078	0.9
184.07246	0.4
185.05945	0.4
186.08745	15.2
187.03926	0.6
187.07486	2.4
189.05473	27.6
193.04953	0.4
193.06471	0.8
196.07207	0.5
197.05995	5.3
199.07561	1.3
201.05496	0.5
207.06450	0.7
211.07532	3.6
213.05476	3.4
215.07021	3.5
221.05998	0.7
223.07579	0.3
225.05443	2.6
229.05003	0.4
229.08589	1.1
231.06511	0.5
239.07030	7.4
241.04999	0.3
241.08789	0.3
243.06531	20.7
249.05403	0.3
255.06433	0.5
257.08090	4.2
261.07593	2.2
267.06525	16.2
269.08008	1.5
273.07697	1.0
279.06500	0.3
285.07568	100.0
286.08054	0.9
291.08572	2.7
297.07578	7.0
304.05350	0.5
309.07834	0.4
332.12286	1.8
356.16122	0.3
419.11230	2.0
437.12344	10.5
464.28769	0.3
470.15594	64.7
471.15649	0.7
482.15704	0.9
604.19299	0.4
622.20276	29.4
623.20313	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	622.2033
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02353	0.5
53.03955	0.2
55.01636	0.2
55.01878	3.1
55.05512	0.3
57.38557	0.2
65.03923	0.4
67.05490	0.8
68.99794	2.4
69.03430	0.5
69.07050	0.7
70.06590	0.3
70.64150	0.3
70.64520	0.7
71.01322	0.3
74.31808	0.2
77.03930	0.6
79.01900	0.3
79.05479	0.6
80.03054	0.2
81.03396	0.5
81.07051	0.8
83.01332	0.7
83.04977	0.2
83.06092	0.3
84.08131	0.5
85.02897	0.5
86.04808	0.2
86.09723	0.2
91.05486	2.5
93.07056	0.6
95.04983	1.2
95.08578	0.6
97.02898	2.1
103.05440	0.3
105.03376	0.7
105.07011	0.8
107.04934	0.4
107.08602	0.5
109.02882	0.5
109.10113	0.5
111.00787	0.3
111.04400	0.3
111.05577	0.4
115.05470	0.8
119.04952	3.6
119.08568	0.4
123.04431	52.3
125.02346	2.2
127.03941	0.3
129.07021	1.2
131.04929	0.5
131.08609	0.4
132.08900	0.2
133.06516	1.2
135.04440	0.5
137.02359	1.0
139.03909	20.4
141.01810	1.4
141.07011	1.2
143.04897	1.1
145.06471	0.4
147.04411	31.7
148.05109	0.2
149.05939	0.4
151.03925	1.7
151.07509	0.3
153.07037	0.7
155.08493	0.4
156.07674	0.8
157.06502	2.7
158.51437	0.3
159.04427	0.7
159.08078	0.3
161.05994	3.4
163.03914	17.4
163.07565	0.6
164.04364	0.3
165.05478	3.7
165.06985	0.9
167.03383	0.3
168.05699	0.2
169.05125	0.3
169.06482	3.3
171.04446	1.0
171.06393	7.4
171.07841	0.4
173.05995	1.8
175.03938	1.0
175.07549	15.8
176.04741	0.4
177.05566	0.4
179.07039	0.3
181.04942	0.3
181.06439	1.8
183.08061	1.3
184.07230	0.7
185.05913	0.4
186.08754	14.9
187.03850	0.7
187.07523	2.7
189.05473	27.8
191.07066	0.9
193.04953	0.5
193.06512	0.7
195.08119	0.4
196.07098	0.3
197.04167	0.3
197.05992	5.3
199.03870	0.3
199.07486	1.5
201.05428	0.8
201.09215	0.3
207.06404	1.1
210.92697	0.2
211.07564	4.1
213.05475	3.2
215.07018	3.5
221.05960	0.9
223.07625	0.2
224.84666	0.2
225.05455	2.1
229.08644	0.8
231.06525	0.7
239.07042	7.5
241.05064	0.5
241.08534	0.4
242.05731	0.3
243.06540	20.1
244.06816	0.3
251.07056	0.4
255.06546	0.4
257.08118	4.7
259.09900	0.4
261.07565	1.8
267.06531	15.3
269.08139	1.2
271.06052	0.4
273.07608	1.2
279.06610	0.2
285.07578	100.0
286.07999	1.3
291.08643	2.6
297.07562	7.5
303.05099	0.3
305.10532	0.2
309.07526	0.4
315.08594	0.5
327.08600	0.3
332.12390	1.8
334.42917	0.3
338.14471	0.3
356.15503	0.3
419.11240	1.8
430.19574	0.2
437.06332	0.5
437.12341	10.7
470.15619	61.8
471.15994	0.9
482.15735	0.7
604.19153	0.6
622.20325	27.3
623.19922	0.4
650.34332	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	622.2032
Annotation	Unknow
Peak:m/z	Relative Intensity
50.15726	0.3
51.02379	0.5
53.03936	0.4
55.01874	3.3
65.03934	0.5
67.05497	1.2
68.99789	2.6
69.32027	2.8
69.64019	0.3
77.03932	0.8
81.07064	0.6
81.08660	0.4
83.01328	1.0
91.05499	2.0
93.07074	0.5
95.04956	1.0
97.02843	0.8
100.41872	0.4
105.03374	0.5
105.04522	0.4
105.06981	0.6
111.04442	0.5
115.05447	0.8
119.04947	3.9
119.08529	0.3
123.04432	50.6
125.02356	2.1
129.06993	1.2
131.08592	0.5
133.06480	1.5
135.04391	0.6
137.02356	1.2
139.03908	19.2
141.01860	1.0
141.06996	0.8
143.04895	1.1
147.04416	31.9
151.03917	1.6
153.07039	0.9
155.08557	0.9
156.07683	0.4
157.06447	2.0
159.04369	0.9
161.05984	3.2
163.03917	16.2
165.05487	3.1
165.06902	0.9
169.06493	3.4
171.04385	0.8
171.06412	6.1
171.07869	0.6
173.05977	1.0
175.03900	1.0
175.07544	16.9
176.08339	0.3
181.06485	1.6
183.08060	1.0
184.07230	0.5
185.06056	0.5
186.07072	0.7
186.08751	13.8
187.07535	2.6
189.05473	27.8
193.04968	0.9
193.06525	0.5
196.07204	0.4
197.05988	5.1
199.07541	1.4
201.05562	0.6
207.06552	0.9
211.07518	3.6
213.05418	2.9
215.07048	3.9
221.05977	1.1
221.08037	0.4
225.05418	2.3
229.08669	0.7
239.07014	6.7
242.05763	0.7
243.06538	21.2
255.06572	0.4
257.08121	4.2
261.07535	1.8
267.06534	16.4
269.08093	1.6
273.07703	1.2
279.06671	0.5
285.07574	100.0
286.08109	1.0
291.08591	2.3
297.07614	8.7
315.08713	0.7
332.12509	1.3
419.11209	1.7
437.12292	8.7
470.15616	59.0
471.15784	0.5
482.15918	0.5
604.19421	0.5
619.01630	0.4
622.20306	28.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	622.2034
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02372	1.3
53.03910	0.6
55.01867	1.4
55.05502	0.9
56.83384	0.5
56.96565	0.9
63.50623	0.6
64.67933	0.6
67.05499	2.0
68.99786	2.0
69.03421	1.4
69.07079	0.8
72.08151	0.7
75.05837	0.6
77.03931	1.0
79.05495	2.3
81.03408	2.3
81.07051	2.3
83.04975	0.6
85.02877	1.4
89.03924	0.7
91.03935	0.7
91.05479	6.3
93.07048	1.7
95.04973	2.8
95.08595	0.7
97.02911	3.3
97.06508	0.8
98.97566	0.6
103.05472	0.8
105.03378	1.5
105.07038	1.4
107.04966	0.8
107.08578	1.4
109.06569	0.6
109.10136	1.3
114.29546	0.5
115.05475	0.8
119.04936	10.3
119.08575	0.7
121.06526	1.0
123.04430	95.9
125.02348	1.6
127.03944	0.9
127.59466	0.6
129.07016	1.0
131.04955	1.3
131.08609	1.0
133.06458	1.5
133.10132	0.9
135.04417	1.5
135.08101	0.7
137.02382	1.1
137.05998	1.1
139.03909	17.1
141.01790	0.8
141.07063	0.7
143.04922	2.5
145.06511	0.8
145.10147	1.3
147.04411	70.7
147.11639	0.5
148.05139	0.6
149.09560	0.6
151.03888	1.9
151.07608	0.6
157.06490	1.6
161.05984	6.2
163.03896	13.8
163.07527	1.0
164.04311	0.8
165.05493	9.6
165.06860	1.3
169.06448	1.3
173.06059	0.9
175.03951	0.7
175.07555	7.1
177.05493	1.2
179.07053	1.2
181.06447	1.2
183.08015	0.8
184.07368	1.9
186.08754	0.9
187.03989	0.7
187.07614	1.5
189.05469	21.0
189.09123	0.7
197.06032	2.0
199.07664	0.9
203.07069	0.7
207.06369	2.8
211.07542	1.7
213.05534	1.6
215.07050	1.5
223.07434	0.7
224.34041	0.7
225.05435	1.4
231.06537	3.2
233.04466	0.8
239.07031	4.1
243.06528	8.7
255.06465	1.7
257.08102	2.3
259.09573	1.6
261.07703	0.6
267.06531	8.8
269.07974	1.0
273.07578	2.1
285.07578	46.2
291.08710	5.5
297.07553	8.4
303.08698	0.8
315.08710	1.6
332.12488	2.0
338.14740	0.6
365.63278	0.6
396.12589	0.6
419.11136	1.8
430.19333	0.8
437.12329	100.0
438.12534	0.8
523.69214	0.6
620.59174	0.6
622.20239	36.2
622.30676	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.4726
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	3.6
55.01877	7.2
55.05514	15.5
57.03441	23.4
57.07074	20.6
65.03936	3.9
67.05183	4.7
67.05508	45.3
69.07074	16.7
69.20148	6.4
69.20560	26.4
71.08615	13.3
79.05499	26.7
80.14288	2.9
81.07053	34.8
83.04974	3.8
83.08625	7.9
85.06537	9.1
85.10177	9.3
91.05495	22.4
93.07054	26.9
95.04969	47.0
95.08611	25.0
97.06538	8.0
97.10182	6.3
105.07024	19.4
107.04986	6.7
107.08597	14.4
109.06522	54.7
109.10159	12.3
113.05994	22.5
117.07059	9.4
119.08583	11.8
121.06498	3.9
121.10163	5.7
123.11663	4.5
128.06108	3.2
129.07014	6.0
131.08595	8.8
133.10149	10.9
135.08072	35.3
135.11682	4.1
139.07600	3.1
139.93385	3.6
143.08577	7.1
145.10146	10.6
147.08025	7.3
147.11714	5.1
149.09666	6.5
149.13284	4.0
151.11061	3.5
157.10165	5.6
159.11681	4.2
161.09596	8.8
163.11205	3.8
217.15967	8.9
273.18521	38.3
291.19543	100.0
292.19962	3.5
293.21008	3.8
309.20752	4.5
313.27353	54.4
347.22183	6.3
349.27307	4.7
363.97580	3.7
365.23257	16.7
401.68936	3.8
533.59015	3.2
545.82678	3.8
585.44855	7.7
603.46210	44.8
621.26624	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	622.1437
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02394	0.5
53.03946	1.1
55.01872	0.8
57.03439	0.8
61.02916	0.7
67.05502	1.4
69.03432	3.3
70.06610	0.3
71.05007	0.5
73.02916	0.9
79.05493	0.6
81.03426	4.1
81.07063	1.1
83.04996	0.3
83.08650	0.3
85.02911	6.8
87.00819	2.4
91.03953	0.7
91.05490	0.7
93.07048	0.8
95.04979	0.6
95.08606	0.9
97.02898	2.7
97.06539	0.3
99.00011	0.3
99.04478	1.8
104.04985	2.4
104.48541	0.3
105.01872	1.4
105.07036	0.9
107.08608	0.6
109.02888	3.4
109.10176	0.8
111.04499	0.3
117.01859	0.6
117.07022	0.3
119.08562	0.5
126.99475	0.7
127.03921	4.8
129.01849	0.6
131.08600	0.4
132.04459	100.0
133.05200	0.3
133.10213	0.3
135.11665	0.4
138.01056	0.9
139.03935	0.4
145.04927	2.4
147.02876	0.7
147.11687	0.4
150.05563	0.4
159.02922	2.1
160.74318	0.3
161.05980	0.3
164.07076	56.1
165.07404	0.3
166.00565	6.5
167.01364	1.1
168.02132	3.4
173.07121	0.4
180.63657	0.3
184.07402	0.3
193.01500	0.3
194.00053	24.2
211.02705	51.3
213.03943	0.4
223.02678	0.6
231.05060	1.0
233.15387	0.3
285.09882	0.3
297.04446	0.4
342.06415	6.0
342.10294	0.4
374.08997	8.0
425.35559	0.4
459.08057	4.0
518.27893	0.4
590.11639	1.1
622.32581	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.271
Annotation	Methyl pheophorbide b
Peak:m/z	Relative Intensity
67.05488	0.8
69.55132	1.4
78.86971	0.3
81.07043	0.6
83.56831	0.2
91.05498	0.6
93.07046	0.4
95.04948	0.4
95.08613	0.5
104.10725	0.3
105.07054	0.4
107.08602	0.4
115.45701	0.3
117.07156	0.2
119.08543	0.3
120.76971	0.3
131.08588	0.3
133.10110	0.4
154.72063	0.3
161.44576	0.2
183.09293	0.3
195.09175	0.3
209.13353	0.3
220.10271	0.3
221.10791	0.3
312.14899	0.3
314.13016	0.2
334.78348	0.3
373.14651	0.5
374.15359	0.4
375.16220	1.0
387.16159	0.4
388.17032	0.8
389.17535	2.2
390.18384	1.2
391.19025	0.7
400.17639	0.4
401.17743	0.9
402.18576	1.0
403.14771	0.6
403.19650	3.5
404.20120	2.2
405.20828	2.1
414.19034	0.3
415.14966	0.4
415.19778	0.5
416.15503	1.1
417.17090	3.1
417.21118	2.2
418.17435	0.7
418.21729	1.0
419.22437	6.5
420.23215	0.7
429.16739	0.4
429.21664	0.4
430.17926	1.1
430.22638	0.4
431.18201	7.2
432.19077	2.2
433.20190	2.8
443.18723	0.5
444.19669	0.5
445.20126	6.0
446.21042	6.2
446.27328	0.3
447.21805	9.4
448.22845	0.5
459.21756	2.4
460.18799	0.9
461.19678	1.2
463.21115	0.3
469.46530	0.3
472.18411	0.4
473.19577	1.2
473.24805	0.5
474.20444	5.1
475.21338	7.2
477.23212	0.3
487.21393	3.5
488.22079	0.7
491.20389	0.5
491.25180	0.4
501.22910	1.8
505.25558	0.8
506.23569	0.4
517.21869	0.3
518.23419	0.6
519.19604	0.6
529.22284	0.7
533.25525	15.6
546.22595	0.4
561.24988	21.4
562.25537	0.5
569.12274	0.3
589.24548	1.0
593.27649	3.2
621.27075	100.0
622.27393	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	621.2707
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03367	0.4
67.05429	0.4
69.23936	2.3
73.35714	0.3
79.05412	0.4
81.07012	0.3
83.08572	0.3
91.05402	0.3
91.65215	0.3
93.06960	0.4
109.06455	0.6
135.07942	0.4
147.53171	0.3
155.43150	0.3
175.08574	0.3
195.09126	0.4
196.09940	0.3
209.10754	0.3
221.10699	0.4
276.20605	0.3
286.13348	0.3
291.19455	0.4
298.13168	0.3
322.13492	0.3
326.12894	0.4
373.14639	0.6
374.15320	0.5
375.16046	1.2
386.15839	0.4
387.16028	1.1
388.16989	2.1
389.17630	4.1
390.18552	2.1
391.18997	0.4
401.17984	1.6
402.14023	0.7
402.19012	1.8
403.19418	6.4
404.20096	2.8
405.20990	2.0
415.19818	1.3
416.16284	1.3
416.20685	0.6
417.16925	3.9
417.20895	4.0
418.16971	0.6
418.21744	0.9
419.22412	9.7
429.16498	0.6
429.21393	0.6
430.17184	1.8
430.22897	0.4
431.18280	9.1
432.19266	3.6
432.23792	0.3
433.20169	1.3
441.17252	0.4
443.18665	1.0
444.19553	1.0
445.20255	8.8
446.20926	5.4
447.21808	11.0
457.20291	0.5
458.21030	0.6
459.17874	2.0
459.22211	1.6
460.18173	0.7
460.23486	0.5
461.19717	1.5
463.21091	0.5
472.18314	0.3
473.19360	1.3
473.23785	1.0
474.20474	12.5
475.21320	15.2
476.21896	0.6
487.21228	4.9
488.22382	1.5
491.20770	1.1
501.22800	2.9
502.23697	0.7
503.20737	0.7
505.26712	1.4
517.22516	0.5
518.22815	0.6
519.23657	0.3
529.21936	0.8
533.25574	12.8
534.25708	0.4
546.22894	1.0
561.24994	72.0
562.25220	1.2
589.24298	2.3
593.27509	3.3
621.27106	100.0
622.27673	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.2709
Annotation	Methyl pheophorbide b
Peak:m/z	Relative Intensity
52.19957	0.3
55.05508	0.8
57.07059	0.6
59.73316	0.4
67.05506	2.3
68.10415	0.3
68.86951	0.3
69.07059	1.0
70.00352	1.6
76.06678	0.3
79.05495	1.1
81.03403	1.0
81.07050	1.8
83.08629	0.3
87.69186	0.4
88.04783	0.4
91.05497	1.1
93.07043	1.3
95.04996	1.0
95.08610	1.1
105.07005	0.9
107.08622	0.9
109.06567	0.4
109.10149	0.9
109.33577	0.3
119.08601	0.7
121.10126	0.5
129.07002	0.4
133.10155	1.0
135.11725	0.6
137.09627	0.7
145.10110	0.4
147.11699	0.6
151.11201	1.0
152.11488	0.4
218.64220	0.4
235.12166	0.5
273.18622	0.8
275.20145	0.9
277.21594	2.7
278.21945	1.9
293.21078	0.7
294.21512	0.6
295.22754	1.2
296.23080	0.9
313.27512	0.4
328.14423	0.4
375.16180	1.1
387.15988	0.8
388.17065	1.5
389.17554	3.8
390.18460	0.9
391.19107	0.9
401.17603	1.4
402.18573	1.4
403.19495	3.9
404.20068	2.3
405.20941	1.4
411.32684	0.4
413.17731	0.4
415.19824	0.8
416.20493	0.9
417.17007	2.0
417.21988	2.3
418.21829	1.1
419.22369	4.9
420.23157	1.0
430.17636	1.0
431.17841	4.0
431.23163	1.3
432.19516	1.2
433.20215	0.9
445.20660	5.3
446.20944	3.5
447.21924	7.0
459.18356	4.2
460.18872	1.3
461.19556	2.5
473.19830	2.1
474.20395	8.6
475.21295	15.4
476.21530	0.6
477.23224	0.4
487.21567	2.7
488.22226	1.2
489.22388	0.6
490.23230	0.4
491.20425	0.5
501.22876	3.6
503.20685	0.4
505.25909	1.3
517.22491	0.4
519.20398	0.8
529.22601	0.7
532.24719	0.6
533.25659	9.5
546.22638	0.9
561.24957	37.9
562.25531	0.8
589.24451	1.6
593.27429	0.6
621.27087	100.0
622.27576	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	621.2706
Annotation	Methyl pheophorbide b
Peak:m/z	Relative Intensity
51.16651	0.4
56.13716	0.4
85.77768	0.3
112.48691	0.4
138.00873	0.4
207.55547	0.4
211.62698	0.5
222.33968	0.5
289.85532	0.4
310.13678	0.4
348.15570	0.4
375.16248	0.9
387.16345	0.8
388.17227	0.9
389.17432	2.6
391.19150	1.2
401.17746	1.4
402.18665	0.8
403.14713	0.7
403.19574	3.4
404.19897	2.2
405.20694	2.1
415.19669	0.8
416.15729	0.9
416.20483	1.0
417.16251	4.5
417.21149	2.4
418.17136	0.7
418.21729	1.3
419.22455	6.9
430.17322	0.7
431.18063	7.4
431.23672	0.8
432.18918	2.7
433.20261	2.6
444.19556	0.6
445.20108	5.7
446.20966	6.8
447.21878	9.5
459.22568	3.0
461.19925	1.6
463.21371	0.6
473.19611	1.3
473.24661	0.6
474.20370	7.4
475.21280	9.2
478.23627	0.6
487.21304	3.8
488.21890	0.7
491.20618	0.8
501.23270	1.9
505.25854	1.4
506.23459	0.7
519.20361	0.7
529.22986	0.5
533.25543	18.8
561.25012	23.6
562.25647	0.6
589.24609	1.6
593.27509	3.7
621.27087	100.0
622.27368	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	621.1814
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	1.8
56.47750	1.4
57.03425	2.9
57.81463	1.5
58.75933	1.3
70.06579	2.5
70.47330	4.2
79.69062	1.6
81.03416	2.7
85.02901	6.5
90.03734	1.3
91.05486	5.3
93.03416	2.0
97.02908	2.5
103.03962	1.6
105.03375	2.0
105.06989	1.4
107.04955	8.9
109.02889	4.2
111.04497	1.7
115.05478	2.2
117.07005	4.4
119.04957	8.2
121.02906	2.8
121.06516	2.8
123.04433	1.9
131.04955	3.1
135.04410	2.2
137.02336	2.1
138.05502	1.4
144.05710	4.1
145.02827	3.0
145.06487	10.7
147.04420	28.8
151.03848	3.0
161.05949	2.0
163.03944	5.7
171.04465	4.1
173.02426	1.5
173.05908	1.7
175.03915	4.1
176.01076	6.4
177.01845	6.7
177.05392	3.2
179.03406	4.5
179.06844	1.9
179.50142	1.7
187.03867	2.6
189.01866	11.5
189.05470	2.5
190.02620	6.1
191.03395	8.3
194.02098	2.5
195.02928	7.6
201.05440	2.7
203.03392	9.8
204.04242	2.3
205.04913	2.5
207.02913	9.0
208.03668	1.9
215.03387	3.0
217.04955	6.6
219.02948	11.0
221.04385	3.2
227.03397	2.3
229.04990	5.0
231.02942	1.8
233.04451	4.7
241.04811	1.5
243.02750	2.4
243.06618	2.2
253.04890	1.8
255.02876	3.4
257.04486	3.6
285.04016	5.4
293.07919	2.8
294.08621	1.9
302.05722	2.8
303.05026	2.0
303.13513	1.5
305.07999	5.2
306.08835	2.1
307.09546	4.0
309.07626	9.0
316.07379	3.0
317.08047	1.8
319.05997	5.8
319.09726	3.3
320.06799	5.6
321.07578	75.1
322.08261	4.3
323.09091	6.5
331.09686	1.9
333.07550	49.9
333.11472	2.4
334.08328	6.5
335.09113	15.1
339.08701	6.0
345.07437	2.5
345.11392	2.3
346.08264	4.0
347.09161	30.1
348.10007	5.8
349.06927	3.0
349.10663	3.5
351.08646	100.0
359.09143	9.6
361.07071	1.9
361.10797	15.1
363.08630	66.9
365.10025	2.2
371.08951	2.1
373.10815	11.0
375.08633	34.2
375.12930	1.4
377.10254	22.6
381.09763	18.1
383.09009	2.7
385.10861	2.5
387.08456	18.4
387.12683	1.8
389.10162	7.7
391.11938	14.5
393.09628	4.4
399.08533	6.4
400.09357	1.6
401.10220	12.6
405.09686	53.9
413.09949	3.6
415.11768	4.4
417.09708	31.5
419.11307	3.0
427.11984	2.3
429.09732	23.5
435.10739	44.1
441.09811	5.7
443.10944	3.5
447.10712	20.6
453.11865	38.7
455.10681	2.0
459.10828	2.5
465.11792	33.7
471.11813	6.1
483.12860	98.0
489.11804	4.7
501.13870	26.6
507.12881	21.4
513.11749	4.4
519.12463	1.9
525.13947	29.5
531.12927	6.1
537.13995	25.1
549.14001	24.8
555.14996	12.1
561.21667	3.0
567.15027	34.9
585.16156	35.3
603.17126	20.6
621.19128	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	620.4524
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	2.4
55.01870	5.4
55.05514	15.2
56.28538	1.8
57.03456	3.7
57.07073	3.6
58.37102	2.8
65.03928	2.5
67.05177	3.2
67.05507	30.6
69.03419	4.1
69.07073	30.5
71.04993	4.4
71.08634	2.3
79.05496	36.2
81.03418	5.6
81.07066	39.0
82.85930	2.2
83.04996	5.6
83.08604	13.0
91.05483	32.0
93.07051	46.8
95.04978	15.9
95.08620	28.6
97.06559	6.6
97.10150	9.3
99.08069	2.5
105.07039	33.1
107.04964	17.6
107.08606	23.7
109.06483	5.4
109.10145	9.5
111.08118	2.3
117.07016	10.6
119.08579	31.1
121.06511	5.8
121.10138	19.2
123.08056	2.9
125.09612	5.0
129.06995	5.0
131.08585	15.8
133.10135	23.5
135.08058	15.4
135.11684	6.4
137.09618	3.9
139.11185	7.4
142.07747	2.1
143.08553	3.7
145.10121	13.6
147.08051	4.6
147.11728	11.6
149.09628	12.0
149.13286	3.4
151.11200	2.1
155.08548	2.7
157.10152	4.5
159.11693	8.6
161.13268	3.7
163.11169	10.3
171.11743	4.1
173.13255	4.6
179.14316	4.9
183.13792	2.7
185.13342	2.6
189.11197	4.4
189.12776	2.2
203.12820	7.8
207.13890	2.0
223.13307	6.3
227.12787	2.0
229.19667	2.3
237.14845	6.3
239.17970	3.2
257.19049	10.4
275.20084	100.0
277.21704	3.5
291.19614	9.9
292.19955	1.9
293.21127	46.8
293.24341	3.7
312.19083	2.0
313.94171	2.1
416.64603	2.0
419.20840	1.8
512.44250	2.0
530.33026	2.4
620.45428	3.8
621.27295	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	619.1636
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05529	0.4
56.96570	0.3
57.03434	0.3
67.05506	0.8
69.03413	0.8
69.42204	1.1
69.42629	1.1
70.06569	0.3
72.08140	0.3
77.03648	0.3
79.05484	0.5
81.03419	0.5
81.07057	0.9
83.04993	0.3
83.88372	0.3
85.02906	1.1
91.05487	0.7
93.07034	0.7
95.04985	0.7
95.08620	0.6
97.02901	3.8
97.06540	0.4
98.20718	0.3
105.07049	0.5
107.08578	0.5
108.58205	0.3
109.10101	0.4
119.08605	0.4
121.06544	0.4
123.04507	0.4
127.03917	0.3
133.10139	0.4
135.08104	0.3
139.03900	0.6
147.04411	0.6
151.03970	2.2
151.07518	0.3
163.03934	1.3
164.07219	0.3
167.07062	0.3
175.03728	1.0
177.05449	0.5
181.04926	0.3
189.09132	0.4
305.06210	0.4
337.08932	0.6
379.10043	0.8
467.11655	8.2
522.11426	0.3
587.13617	0.6
619.16309	100.0
620.16772	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	618.4368
Annotation	Unknow
Peak:m/z	Relative Intensity
51.32484	1.8
52.64391	2.2
53.03936	5.9
54.77716	1.8
55.01862	4.0
55.05307	1.7
55.05513	18.9
56.82574	1.9
57.03430	4.0
57.07080	4.0
65.03969	2.5
67.05507	32.2
69.03423	4.1
69.07073	24.0
71.04978	2.7
76.89372	2.3
79.05498	34.4
81.03400	5.8
81.07064	38.5
83.04971	7.3
83.08626	14.1
85.06542	4.0
87.04470	24.1
91.05489	35.7
93.07048	42.1
95.04970	24.9
95.08609	20.3
97.06522	6.2
97.10155	8.3
105.07048	27.5
107.04958	22.5
107.08591	23.2
109.06509	6.2
109.10179	11.1
111.08085	4.8
111.87708	2.1
117.07006	8.9
119.08575	24.6
121.06512	2.9
121.10141	17.1
123.08049	3.7
123.11699	4.0
125.09633	4.6
129.06960	3.9
131.08582	13.5
133.06519	2.9
133.10153	24.1
135.08064	20.7
135.11737	5.6
137.09593	2.1
139.11179	7.2
145.10127	15.5
147.08089	5.2
147.11649	6.9
148.47089	2.2
149.09612	10.5
151.11191	3.6
155.08469	2.4
157.10126	4.8
159.11682	6.9
163.11206	12.5
171.11639	5.1
173.13254	4.3
177.12694	2.6
177.75928	2.1
183.11702	2.6
183.13734	2.3
187.13184	3.6
187.14789	2.6
189.11217	3.5
203.12750	7.2
223.13403	10.4
237.14893	6.2
239.18001	3.0
247.20613	4.4
249.33083	2.6
257.18991	7.0
273.18445	9.0
275.20068	100.0
277.21539	2.8
283.15097	2.4
284.15897	3.2
291.19528	61.4
293.21115	58.6
583.39148	3.0
589.27277	2.3
618.40680	50.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	616.4632
Annotation	Unknow
Peak:m/z	Relative Intensity
52.71643	1.8
53.19416	1.4
53.46823	1.5
54.84828	1.6
55.05494	2.8
57.07079	44.2
59.04760	1.6
59.05011	15.1
67.05508	3.4
69.07069	4.4
71.08633	86.0
73.06557	3.8
79.05489	3.3
81.07034	3.8
83.04969	2.1
83.08633	4.1
85.10186	45.0
86.09690	1.7
87.04467	11.7
89.06031	100.0
91.05487	2.6
93.07039	4.2
95.08597	2.2
97.10157	2.7
103.07565	4.5
105.07024	5.0
107.08564	4.8
109.10130	2.2
117.09139	2.6
119.08594	2.1
119.47448	1.7
121.06571	2.7
127.14822	5.4
129.06999	1.8
130.08630	2.8
131.07037	6.2
133.08609	79.3
150.07213	2.0
175.09641	4.8
177.11215	30.6
184.07414	1.9
185.19052	9.7
219.12257	2.0
221.13759	7.3
229.21661	6.1
265.16476	2.7
283.17505	2.2
327.20175	2.4
371.22641	3.5
397.01999	1.8
415.25406	17.5
435.42154	1.6
455.28134	2.8
459.28046	2.1
489.15530	1.8
599.43384	4.3
616.46155	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	615.4428
Annotation	Unknow
Peak:m/z	Relative Intensity
51.72755	2.5
55.05495	5.3
57.03435	3.4
57.07078	100.0
58.04222	7.4
59.05009	35.1
60.19110	2.2
67.05490	10.2
67.11021	2.1
69.07054	8.5
69.20567	13.0
69.20990	8.8
71.08633	72.5
71.75599	2.4
72.05768	5.4
73.02899	4.7
73.06537	9.9
79.05510	4.3
81.03408	4.7
81.07045	10.5
83.08604	6.7
85.06527	3.9
85.10186	58.3
87.04474	11.1
87.08102	4.9
88.05256	2.7
89.06037	15.0
90.01919	27.4
91.05470	4.5
93.07028	5.8
95.04988	3.0
95.08566	6.5
97.06535	2.9
97.10177	3.0
99.11739	13.0
101.06043	3.1
101.09643	3.0
103.07574	5.9
105.07024	6.9
107.08608	2.4
109.10152	3.9
113.13302	4.6
115.07573	2.7
117.09162	12.3
119.08555	4.9
121.10163	3.5
131.08536	2.7
133.08586	9.0
142.73488	2.3
143.08495	2.5
145.10092	2.9
147.10205	3.1
147.11511	2.2
151.09744	2.3
152.15584	4.6
155.17928	10.6
157.10121	2.5
157.55280	2.4
170.28378	2.3
178.07047	4.2
179.12816	3.1
183.17470	3.2
213.22160	17.1
222.09662	7.7
222.16882	2.8
223.15399	2.9
246.49692	2.2
267.15903	6.0
268.16110	2.7
271.26221	8.1
281.19623	2.9
328.15988	4.4
337.27307	4.5
338.27631	7.2
464.39410	11.9
530.39032	10.4
548.39838	3.0
615.43732	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	615.2281
Annotation	Unknow
Peak:m/z	Relative Intensity
50.06566	1.2
53.03942	5.7
55.01873	7.9
55.05518	8.9
57.03437	11.5
61.02919	3.2
63.49295	1.5
64.11830	1.3
67.05241	1.3
67.05510	15.9
69.03420	17.8
69.07050	4.6
70.06593	2.2
71.01354	11.0
71.04979	4.4
71.53156	1.7
72.08141	1.8
73.02923	16.1
79.05495	21.4
81.03409	7.6
81.07062	11.5
83.01332	3.0
83.04984	3.3
83.08586	2.3
85.02906	37.0
85.06513	1.5
87.04427	1.7
91.03910	1.7
91.05484	20.2
93.06493	1.8
93.07051	31.3
95.01331	15.6
95.04974	16.6
95.08599	6.0
97.02895	100.0
97.06535	10.9
97.10191	1.6
99.00824	3.1
99.04470	5.8
101.02378	4.6
101.41676	1.3
103.03922	6.6
103.05461	3.4
105.07032	36.2
107.04954	10.8
107.08598	9.1
109.02940	2.5
109.06510	5.7
109.10137	8.9
111.04433	3.7
112.03889	1.3
113.02368	13.2
113.05987	3.3
115.03926	6.9
115.05456	4.1
116.13218	1.3
117.07027	16.6
119.04929	7.8
119.08572	14.2
120.05699	6.4
121.02878	2.3
121.05662	2.6
121.06510	42.0
121.10120	2.8
123.04428	4.8
123.08030	1.7
125.05952	2.3
127.03913	1.6
128.06227	5.0
129.05466	2.9
129.06992	12.5
130.07773	8.6
131.03397	5.6
131.04883	2.0
131.08569	30.2
133.06494	7.3
133.10114	10.9
135.04425	6.5
135.08076	3.3
135.11729	3.9
137.05980	4.0
139.03891	3.3
139.07526	2.4
140.07153	1.9
141.01833	22.2
141.06995	6.6
142.07776	3.3
143.08560	16.1
144.09346	9.4
145.06509	17.3
145.10129	62.9
146.07275	1.9
147.04395	2.1
147.08038	4.8
147.11655	4.5
149.05937	2.7
151.03899	3.3
153.06927	1.8
154.07741	6.6
154.22360	1.5
155.08560	8.3
156.09291	1.9
157.06561	3.6
157.10129	14.9
158.07257	8.9
158.11014	1.7
159.02878	1.5
159.08058	24.7
159.11693	51.3
161.05927	2.1
161.09615	4.6
163.03926	10.7
163.07472	3.5
164.04286	2.0
165.09131	2.3
167.08595	4.3
169.06433	2.8
169.08614	4.1
169.10124	17.6
171.08057	6.6
171.11679	5.4
172.08820	8.4
173.05969	1.9
173.09630	46.4
175.07564	6.5
175.11000	1.7
177.05476	3.0
179.08592	5.6
182.07285	3.8
183.11696	2.9
185.09697	7.1
186.10414	1.6
187.07581	5.0
187.11185	80.7
189.05434	1.7
189.09097	4.2
191.07014	5.7
191.10641	2.6
192.09343	2.4
193.10210	2.4
195.08163	2.3
195.10083	1.9
195.11731	3.4
196.08682	1.4
197.09630	15.9
197.13356	2.6
199.07471	2.3
199.11237	3.5
201.09065	1.7
203.06993	3.0
203.10629	2.1
205.12239	6.7
207.11794	2.4
209.13263	2.4
211.11235	3.4
213.09117	5.2
214.09868	1.8
215.07286	3.2
215.10658	70.2
217.08621	1.9
223.11224	5.2
227.10706	4.0
229.07477	3.1
229.12318	2.1
233.11769	10.3
237.12781	5.3
239.10831	2.5
241.12120	3.9
243.11261	5.8
247.11011	2.0
251.10608	2.9
255.13770	5.8
257.11703	2.2
259.09641	4.7
260.09903	1.7
265.11954	7.5
265.14569	2.5
267.09482	1.6
269.11728	4.0
279.15872	8.4
283.13266	14.8
285.12418	12.2
287.13336	1.8
289.14346	50.2
289.17581	2.5
293.11777	7.6
299.05438	2.1
301.14236	2.3
303.04901	2.5
305.13550	1.8
307.15402	32.5
311.12726	12.4
313.11597	1.7
325.06979	2.3
327.12354	2.0
329.13840	4.3
338.14618	2.1
339.36172	1.5
347.14966	3.7
357.17056	2.0
373.13339	1.7
375.17850	2.7
380.65634	1.7
385.16333	6.3
390.13632	1.5
403.17548	9.4
417.33331	3.9
421.18604	4.1
439.19791	9.2
465.17767	1.8
483.18680	25.0
520.90326	1.8
550.48090	1.6
615.22644	37.8
615.31299	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	614.3327
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	0.4
55.05516	0.9
57.07074	5.4
58.06590	1.5
59.04995	0.5
65.03939	0.9
67.05494	0.9
69.07076	0.7
70.06596	15.4
71.08643	2.9
72.08162	0.7
79.05461	0.4
81.07063	0.5
85.10199	0.9
88.07634	19.0
91.05434	0.4
102.09187	15.4
105.03389	0.4
105.07031	0.6
107.08607	0.5
109.02877	0.5
109.10163	0.4
119.08629	0.5
121.02882	0.4
127.78906	0.4
147.04475	0.8
149.02350	36.8
149.03291	1.4
175.03934	0.9
193.04968	43.7
194.05312	0.6
195.53046	0.3
212.23854	0.5
219.06578	1.3
225.05539	1.1
256.26355	39.9
257.26617	0.4
269.04483	1.4
273.92462	0.3
297.04001	2.2
313.07132	2.4
341.06561	9.9
359.07581	5.6
385.09177	45.3
415.37363	0.4
491.15836	0.4
596.31708	0.6
614.33240	100.0
615.33875	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	614.4627
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	5.2
55.01843	2.2
55.05509	21.2
57.03436	18.2
57.07066	8.3
60.96822	2.0
65.03940	3.6
66.90579	2.2
67.05506	60.8
68.50417	2.1
69.03417	3.1
69.07073	26.8
71.04986	4.5
71.08612	5.5
75.04492	2.2
79.05486	26.1
79.35343	2.1
81.03418	82.5
81.06590	3.8
81.07057	53.7
83.04966	8.6
83.08615	22.9
85.06535	2.6
89.06033	21.4
91.05486	27.7
93.07034	23.8
93.21369	2.3
95.04978	25.1
95.08054	3.8
95.08608	43.1
97.02857	2.5
97.06522	7.6
97.10165	9.4
105.07054	23.4
107.04946	6.7
107.08605	13.2
109.06505	10.0
109.10182	17.2
111.04424	3.3
111.08086	6.1
114.17437	1.9
115.05421	2.5
117.07005	4.9
119.04939	2.6
119.08582	26.2
121.06476	3.5
121.10149	17.2
123.08063	4.0
123.11687	8.6
125.05981	2.4
129.06998	9.2
131.08565	9.2
133.08594	8.8
133.10135	14.6
135.08073	3.7
135.11694	5.2
137.09633	3.4
140.51155	2.2
141.56165	2.2
142.07741	3.2
143.08559	8.0
145.10107	7.1
147.08040	5.1
147.11691	10.8
149.09633	5.5
149.13196	2.9
155.08495	2.5
157.10094	15.1
159.11714	3.4
161.13173	4.2
163.11195	3.6
169.09956	2.9
171.11687	3.4
173.09610	3.8
175.11166	8.7
175.14859	3.6
177.11243	5.8
183.11707	2.4
185.09666	2.3
193.10541	2.8
193.12230	20.8
195.11653	2.9
199.11159	3.3
229.56184	2.3
245.22609	3.5
263.23703	3.5
267.15915	100.0
273.18649	4.5
275.20090	3.0
305.17416	5.0
331.19150	3.6
337.27377	78.5
339.04175	2.2
344.20270	2.6
352.24033	5.3
384.22897	7.0
409.05240	2.3
415.25262	7.0
437.33960	3.0
455.35306	6.1
473.36328	3.1
476.29028	2.8
529.38977	75.0
547.39850	35.3
579.85028	2.9
614.30585	4.5
614.39691	14.0
614.48376	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	614.2087
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	0.3
56.96576	0.4
59.05010	0.3
59.40697	0.2
65.03939	0.4
67.05505	0.9
69.03431	0.7
69.07063	0.5
69.80626	1.1
70.06583	0.7
73.52757	0.2
79.05495	0.7
81.03428	0.6
81.07069	0.6
83.05018	0.3
85.02909	0.6
89.03907	0.4
91.05484	0.8
93.03417	0.3
93.07035	0.5
95.04981	0.3
96.04508	0.2
97.02893	100.0
97.06530	0.9
98.97606	0.4
103.05486	0.3
105.07056	0.4
107.04980	0.6
108.02110	0.4
109.02894	0.3
109.10159	0.3
111.04420	0.4
117.03405	0.4
118.62438	0.2
119.04937	0.2
119.08577	0.4
121.02840	0.4
123.04443	0.5
124.03934	0.4
131.04921	0.5
131.08591	0.3
134.58531	0.2
135.04413	1.3
136.04631	0.2
137.06006	0.6
139.03949	0.3
141.05432	0.3
145.02858	0.6
145.10143	0.3
147.04408	0.4
151.03911	19.8
151.04939	0.9
153.05489	0.4
154.40387	0.3
161.05949	0.8
163.03908	5.2
163.07562	0.4
164.04314	0.9
165.05518	0.3
167.07108	1.2
168.07420	0.5
173.06001	1.0
175.03885	0.3
175.07608	0.3
177.05479	0.4
181.04951	11.1
182.05324	0.3
187.07579	0.2
189.05479	0.4
189.09076	0.4
191.07083	0.6
196.13347	1.0
197.05951	0.3
201.05463	0.5
203.07098	0.4
207.14182	0.3
213.05400	0.6
215.07121	0.7
216.07494	0.3
217.04968	0.4
217.08669	0.3
219.06538	1.7
227.07098	0.4
229.04906	0.4
247.06023	25.3
251.69820	0.2
259.09662	0.8
260.10117	0.6
265.07071	17.7
268.08060	0.3
283.08112	3.6
295.12872	0.2
329.14163	0.3
337.14407	0.7
355.15381	1.4
361.16711	0.4
473.14407	0.2
491.58234	0.3
614.22546	1.6
614.36139	0.4
617.36542	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.4825
Annotation	1.3-dilinolenin
Peak:m/z	Relative Intensity
50.90628	1.0
53.03937	3.0
55.01867	1.2
55.05513	13.4
57.03444	6.1
57.07061	3.1
65.03924	2.7
67.05509	46.5
69.07064	12.9
71.05000	1.3
71.08625	2.5
77.03960	1.4
79.05496	22.9
81.07058	43.9
83.04970	1.9
83.08617	7.8
83.77059	1.0
91.05480	18.9
93.07047	32.1
95.04969	1.8
95.08608	36.5
97.06569	1.1
97.10176	4.7
99.08102	2.3
105.07035	19.0
107.08591	19.2
109.06548	1.7
109.10149	15.4
111.08147	1.4
115.05406	1.2
117.07031	8.9
119.08574	17.5
121.10148	16.0
123.08105	1.9
123.11695	7.1
129.06989	2.8
131.08568	16.2
133.10130	13.4
135.11703	10.5
137.13287	3.1
143.08575	4.6
145.10121	16.2
147.11682	11.3
149.13287	6.1
155.08505	1.2
157.10167	3.9
159.11719	11.2
161.13275	8.4
163.14859	4.1
169.10216	2.0
171.11720	4.2
173.13264	8.0
175.14853	4.6
177.16418	2.3
179.14388	1.8
183.11658	2.7
185.13316	4.3
187.14870	4.0
189.16306	2.9
197.13321	1.5
199.14809	3.6
201.16351	2.5
203.17970	2.2
215.18019	1.2
229.19675	1.4
231.21008	1.1
241.19487	1.4
243.21155	1.7
245.32617	1.2
259.20609	6.3
261.22272	6.4
263.23877	1.5
273.22156	1.2
277.21771	3.3
299.23630	1.6
313.25385	1.8
333.24316	5.8
335.25821	10.3
337.27441	7.6
489.35733	1.7
503.37036	1.5
513.66333	1.3
521.43713	5.0
539.44159	1.9
543.40460	1.8
547.44702	1.1
557.43292	1.2
595.47473	10.2
613.48279	100.0
614.48651	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	613.4825
Annotation	1.3-dilinolenin
Peak:m/z	Relative Intensity
51.02366	0.8
52.01756	0.5
53.03946	1.6
55.01868	1.1
55.05512	14.1
57.03438	4.1
57.03691	0.8
57.07082	2.8
60.20094	0.6
65.03938	2.5
67.05505	39.4
69.07071	13.6
70.80917	1.2
71.04984	1.7
71.08633	1.0
79.05493	23.3
81.07058	46.4
83.04969	1.4
83.08617	8.9
85.06557	1.3
91.04908	0.9
91.05480	17.4
93.07046	31.1
95.04984	1.4
95.08608	36.8
97.06535	2.4
97.10159	4.9
97.25890	0.5
99.08118	1.2
105.04539	0.6
105.07030	21.0
107.08603	18.6
109.06516	1.1
109.10159	18.8
111.08077	2.1
111.11739	0.8
113.09666	0.7
117.07013	7.7
119.08582	19.9
121.10142	16.0
123.08117	1.3
123.11700	7.2
125.09615	1.4
128.06261	0.8
129.07042	3.1
131.08578	15.0
133.10135	15.9
135.11696	10.9
137.13255	2.3
141.07001	0.8
143.08562	5.0
145.10127	14.2
147.11694	13.0
149.13258	6.5
151.14763	0.7
155.08565	1.7
157.10143	4.7
159.11699	14.5
161.13268	8.5
163.11198	0.6
163.14806	3.5
165.16425	0.8
169.10127	1.6
171.11679	5.1
173.13277	9.0
175.14856	3.6
177.16414	2.3
178.99237	0.6
183.11739	2.0
185.13232	4.8
187.14824	5.7
189.16328	2.6
191.18073	1.2
197.13297	2.1
199.14941	3.5
201.16405	3.2
203.18007	1.6
207.17519	0.8
211.14798	1.1
213.16451	2.5
215.18013	1.4
217.19623	1.1
219.17416	1.1
225.16434	1.1
227.16170	0.9
227.18159	1.1
229.16040	0.6
229.19557	1.4
231.21146	1.3
241.19695	3.7
243.21140	2.2
245.22792	0.9
249.02715	0.5
251.18005	0.7
258.96573	0.6
259.20566	6.9
261.22162	9.1
263.23663	1.0
271.20428	1.0
273.22171	1.4
275.23492	0.8
279.23132	1.1
285.21976	0.9
287.23758	1.1
289.21783	0.8
295.22739	0.7
297.80185	0.6
299.23651	1.4
301.25140	0.6
303.23120	1.0
314.05655	0.6
315.23276	1.0
315.26758	0.8
317.24835	1.2
323.25974	0.6
327.27084	0.8
331.38672	0.6
333.24289	6.1
335.25787	15.0
337.27417	7.5
341.28549	0.7
342.58752	0.7
343.26318	0.8
355.30164	0.8
381.31616	0.6
429.34225	0.6
475.34094	0.8
489.35959	1.6
491.37698	1.0
503.36850	1.3
517.39087	1.1
521.43695	2.6
529.38855	1.0
539.45331	2.6
543.40582	1.9
558.16730	0.6
595.47253	11.2
613.48248	100.0
614.48956	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.3194
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	1.4
55.01876	1.3
55.05513	1.2
56.96559	1.1
67.05503	3.9
69.03426	1.8
69.07067	2.9
69.30773	4.5
69.31181	1.0
70.06581	1.1
71.04974	1.2
75.25436	0.6
79.05490	5.0
81.03429	2.2
81.07056	2.6
83.04987	1.5
83.08607	1.1
84.08141	0.9
85.02915	1.1
86.71438	0.6
89.03929	2.5
91.05489	2.5
93.07059	2.7
95.04987	1.6
95.08606	2.2
97.02895	2.3
97.06531	18.9
99.04507	0.9
105.07044	2.0
107.04970	1.6
107.08594	1.7
109.06526	0.7
109.10172	2.8
111.04449	0.9
117.03385	3.2
119.04913	0.8
119.08586	1.4
121.06511	1.2
121.10149	1.5
123.04446	1.3
127.03977	0.9
135.04414	5.7
135.11742	1.2
137.05988	1.7
137.09607	0.7
139.04050	0.7
145.02852	3.7
145.06581	0.7
145.10146	1.3
147.04417	1.1
151.03909	3.6
159.04445	0.8
161.02412	2.1
161.06047	1.0
161.09750	0.8
163.03903	30.4
163.11206	1.1
165.05553	0.6
167.07069	2.7
173.02338	5.8
181.04918	0.8
191.07045	1.5
215.07042	10.3
215.08878	0.9
219.10153	3.3
245.06355	4.1
259.09671	23.4
259.12381	1.3
289.05310	11.5
289.10318	1.0
289.13971	0.6
319.08197	1.4
347.25537	13.9
365.26682	9.3
407.27002	0.8
408.11990	0.7
527.31860	2.2
569.32971	13.8
595.18402	1.4
595.29785	0.8
613.31946	100.0
614.33032	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	612.4473
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	9.4
53.74886	4.6
55.01871	7.2
55.05517	30.0
57.03434	18.4
57.07089	8.7
66.28773	4.8
66.36038	4.9
67.05499	65.7
69.07066	17.5
71.05001	6.8
71.08614	8.9
71.53498	6.7
79.05496	51.0
81.03421	87.4
81.07055	71.4
81.22360	5.2
83.04973	8.2
83.08620	16.7
85.10179	8.0
87.04475	6.0
89.06046	6.0
91.05490	42.1
93.07035	50.9
95.04987	30.3
95.08608	53.6
105.07028	29.9
107.08589	26.1
109.10168	21.6
111.08097	12.8
117.07059	7.0
119.08592	29.0
121.10149	24.3
123.11677	5.5
125.09592	6.3
129.07043	12.5
131.08563	21.5
133.10139	16.8
135.11690	16.2
145.10155	7.5
147.11703	22.6
149.09622	5.0
149.13260	14.1
157.10162	9.8
159.11731	10.9
173.13217	8.2
175.11183	9.6
193.12251	22.0
227.12839	7.5
243.21211	6.9
245.91841	4.8
261.22086	18.7
267.15912	100.0
317.15607	5.0
335.25824	87.8
435.27240	6.1
435.32629	5.5
453.33524	8.2
478.22360	9.3
527.37451	45.8
545.38416	26.2
594.26801	15.6
612.28027	76.4
612.46936	24.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.4667
Annotation	Unknow
Peak:m/z	Relative Intensity
50.82264	0.8
53.03939	3.6
55.01861	1.3
55.05511	12.9
57.03441	4.5
57.07075	3.4
65.03936	2.5
67.05503	37.1
69.07069	12.8
71.04996	1.2
71.08636	2.0
78.38696	0.9
79.05141	0.5
79.05492	27.6
81.07056	37.7
83.04966	1.6
83.08617	6.6
85.06548	2.1
87.88470	0.9
91.05481	28.8
93.07043	32.0
94.72900	0.9
95.04974	2.5
95.08606	30.8
97.06541	3.0
97.10175	3.6
98.20783	1.9
99.08110	1.1
104.73676	0.9
105.04523	1.5
105.07029	25.5
105.07699	1.8
107.08595	20.9
109.06574	1.3
109.10155	13.6
111.08086	1.7
115.05485	1.0
115.11246	0.9
117.07021	9.5
118.10952	1.0
119.08580	22.0
121.10146	16.0
123.11750	4.5
128.06244	1.6
129.07007	7.5
129.17784	1.0
130.07794	1.3
131.08574	19.9
133.10129	17.9
135.11703	11.1
137.13271	1.7
139.11139	1.1
141.07001	2.4
142.07759	1.3
143.08549	11.2
145.10115	16.9
145.11148	1.4
147.11700	15.1
149.13261	6.5
155.08546	4.7
157.10141	8.5
159.11687	14.9
161.13251	11.0
163.14864	2.6
167.08575	1.6
169.10117	6.4
171.11682	11.7
173.13277	10.9
175.14827	5.1
181.10133	1.9
183.11731	5.8
185.13258	8.8
187.14819	4.7
189.12831	1.5
189.16391	1.6
195.11807	1.7
197.13300	4.0
199.14847	6.0
201.16434	2.8
211.14912	2.7
213.16374	4.9
215.17961	2.9
223.14917	1.0
225.16388	2.0
227.18092	2.0
231.17432	1.0
231.21104	2.6
237.16626	1.2
239.18033	2.0
241.19540	7.2
243.21091	1.2
257.19131	3.3
259.20612	16.4
261.22260	3.1
277.21747	1.3
293.22446	1.0
297.22232	1.1
307.22916	1.1
315.23187	3.2
318.08392	1.0
325.25229	1.1
333.24213	11.6
335.25809	21.2
339.26932	1.3
501.41501	1.5
519.42114	5.4
529.38464	1.1
537.43097	3.6
541.38928	2.5
545.89154	1.3
550.53247	1.3
593.45612	9.9
611.46783	100.0
612.46899	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.4671
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	1.1
55.05515	12.4
57.03439	3.8
57.07076	3.1
64.09687	0.8
65.03944	1.6
65.27533	0.8
65.37242	0.7
67.05508	24.1
69.07067	11.9
69.30435	4.3
69.30866	3.0
71.04987	1.0
71.08626	2.1
79.05496	15.0
81.07059	24.3
81.07524	1.5
83.04985	0.9
83.08613	7.2
85.06552	1.1
88.08324	0.8
91.05468	13.7
92.15532	0.8
93.07047	18.0
95.05009	0.9
95.08612	18.7
95.09179	1.4
97.06553	1.9
97.10195	3.4
99.08079	1.0
103.05489	1.1
105.07038	13.7
105.07693	1.1
107.05007	0.8
107.08598	9.9
109.10171	8.8
109.55622	0.7
111.08054	1.0
115.05476	1.1
117.07039	9.3
119.08592	14.5
121.06498	0.8
121.10155	7.1
123.08104	1.2
123.11739	2.7
125.09708	1.7
128.06250	1.8
129.07022	7.6
131.08563	15.8
133.10139	8.9
135.11671	3.9
137.13239	0.8
141.07013	3.2
142.07813	1.6
143.08578	11.5
145.10124	14.6
145.11168	1.4
147.08093	0.9
147.11699	7.5
149.09663	0.9
149.13269	3.0
155.08557	7.9
156.09534	0.9
157.10124	11.3
159.11696	11.3
161.13286	3.3
163.11179	0.9
163.14888	1.5
167.08594	1.5
169.10138	7.9
171.11711	7.3
173.13264	6.6
175.14886	2.3
181.10243	3.6
183.11714	7.8
185.13264	6.7
187.14935	3.5
189.16449	2.5
191.18030	1.1
195.11784	3.0
197.13226	4.2
199.14761	4.3
201.16377	2.1
203.18120	1.2
209.13342	2.5
210.13623	0.9
211.14925	3.6
213.16473	4.1
215.17967	1.8
223.14983	1.9
225.16463	2.5
227.18057	3.3
229.19603	2.3
237.16455	1.1
239.18039	2.3
241.19821	1.5
253.19716	1.8
257.22546	1.0
263.18243	0.8
267.21158	1.5
269.22784	1.6
275.20273	1.0
277.21820	0.9
281.19046	2.0
291.21146	0.9
295.20691	0.9
297.22168	1.0
311.23938	1.2
341.24936	1.0
353.28693	2.0
367.30194	1.1
379.30109	1.1
408.01843	0.8
519.41888	8.6
523.38104	0.9
537.43402	6.6
541.39001	1.2
566.85864	0.9
593.45935	9.3
611.46851	100.0
612.47247	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.1607
Annotation	Cyanin
Peak:m/z	Relative Intensity
50.15307	0.3
55.01876	0.4
57.03419	1.0
61.02928	2.6
65.48505	0.3
68.99803	0.4
69.03430	2.2
70.06580	0.8
70.64294	0.8
71.01357	0.2
71.04998	2.2
73.02900	1.1
74.00514	0.3
81.03403	1.0
83.04951	0.5
84.08118	0.5
85.02906	13.5
85.37923	0.3
85.56802	0.2
86.09702	0.3
87.04447	0.6
91.03947	1.4
91.05478	0.3
97.02887	3.4
99.04450	0.5
107.04927	0.5
109.02866	1.2
111.00793	0.6
111.04388	0.3
121.02870	2.2
121.03672	0.4
121.06453	0.3
127.03907	2.5
129.05475	1.0
133.02890	0.4
135.04437	0.4
137.02344	1.0
145.02901	0.3
145.04984	2.6
147.04445	0.6
153.01828	4.3
163.03865	0.7
163.06013	1.1
163.57935	0.3
165.01863	1.7
165.66260	0.3
173.05966	0.4
183.02803	0.9
183.04359	0.3
185.05969	0.4
195.03189	0.3
197.05782	0.4
213.05429	1.2
215.07025	0.4
218.55635	0.3
229.04932	0.7
231.06509	0.6
241.04878	0.8
245.04483	0.4
257.04501	0.4
258.05209	1.0
259.06000	0.6
274.04813	0.4
275.10431	0.4
285.04022	0.3
287.05499	100.0
288.05853	0.8
299.05508	0.9
303.04987	22.0
329.06583	1.0
353.06699	0.5
383.08093	0.4
413.08923	0.3
419.11603	0.4
431.09589	0.5
449.10672	0.8
452.36295	0.3
465.10077	0.4
474.60059	0.4
486.30475	0.3
611.21521	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.3641
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12889	1.9
53.03942	3.4
55.01858	2.7
55.05506	13.3
56.96549	2.2
57.07082	10.6
59.04990	4.1
61.02926	4.8
64.00600	1.8
65.03954	3.1
67.05508	24.6
67.86825	1.8
69.03425	9.3
69.07071	60.9
70.06585	2.2
70.62875	4.9
71.04992	4.4
71.08631	7.8
76.22713	1.8
79.05499	16.5
81.03404	4.2
81.07059	100.0
83.04990	2.3
83.08620	21.9
84.08144	2.5
85.02908	9.9
85.06550	11.3
85.06965	1.7
85.10171	2.7
86.09729	2.6
87.00806	3.7
91.05471	8.9
93.07040	35.8
95.04947	5.0
95.08607	68.6
97.02928	15.0
97.06553	11.7
97.10157	10.4
99.04479	2.5
99.08087	5.2
105.01878	3.4
105.07053	14.0
107.04974	2.5
107.08603	32.4
109.02849	2.0
109.06516	3.9
109.10160	41.2
111.08073	14.1
111.11725	16.1
119.08567	5.5
121.02855	2.9
121.06485	2.3
121.10136	20.7
123.08072	2.3
123.11715	37.3
124.03977	2.4
125.09595	4.7
125.13255	5.0
127.03901	6.9
131.08594	2.5
133.10143	9.6
135.04417	2.9
135.11694	18.1
137.05954	3.4
137.09659	2.5
137.13260	27.9
139.03906	4.7
139.11198	10.4
141.12752	2.4
145.02861	6.4
145.04982	2.9
147.04420	3.9
147.11731	9.2
149.13260	22.7
151.14813	4.5
153.12750	20.8
155.14326	5.9
161.13283	5.8
163.03938	11.9
163.14813	10.0
165.12776	9.6
165.16461	2.3
167.14273	7.0
171.13808	3.6
173.02350	4.7
177.05478	5.6
177.16365	5.9
179.14320	2.2
179.17932	2.8
181.05028	2.3
183.13794	2.9
189.05431	3.1
189.16319	2.8
191.18008	4.4
201.14874	3.8
203.18056	4.5
205.19489	3.2
207.06557	3.9
215.06996	3.6
217.19493	6.8
231.04900	2.3
233.22678	2.1
250.19714	2.0
257.07983	2.8
259.09723	3.2
261.25754	3.1
272.67053	2.4
273.25858	15.4
279.26859	9.1
291.26804	55.7
297.27823	11.8
303.05124	2.2
309.27893	31.0
327.28928	19.5
374.42007	2.0
391.11786	2.1
419.11359	4.4
521.31177	2.3
534.78479	2.6
558.41931	2.0
611.32721	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	611.1606
Annotation	Rutine
Peak:m/z	Relative Intensity
55.01860	0.3
57.03444	1.5
59.52141	0.2
61.02914	0.5
61.30175	0.2
66.57132	0.3
68.99802	0.3
69.03417	1.0
69.44402	1.8
71.04996	8.9
73.02889	0.3
75.04443	0.4
81.03410	0.5
83.04995	0.5
84.98494	0.3
85.02909	13.5
87.04470	0.4
97.02891	1.1
109.02892	0.5
111.00784	0.5
111.04431	0.4
121.02870	0.4
123.04440	0.3
127.03900	0.5
129.05482	2.9
137.02328	2.1
145.04968	0.9
145.06403	0.3
147.06583	1.2
147.07552	0.3
149.02325	0.3
153.01836	2.1
154.31847	0.3
163.03850	0.3
165.01848	1.4
173.06076	0.3
183.02911	0.6
187.00786	0.3
201.05464	0.9
229.04970	3.1
247.05966	0.4
257.04321	2.0
271.86624	0.3
274.04715	0.9
285.03931	0.6
303.04999	100.0
304.05368	0.8
396.09286	0.3
465.10220	0.8
524.15375	0.3
565.12524	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	610.2861
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02382	0.4
53.03946	0.6
55.05508	2.8
57.03443	0.4
57.07073	0.9
59.05043	0.3
65.03928	0.4
67.05505	4.1
69.03419	2.8
69.07072	5.4
69.77408	1.8
70.06580	0.4
70.07392	0.4
71.04987	1.0
78.03459	1.7
79.04228	0.5
79.05491	0.9
79.48632	0.4
80.05025	1.1
81.03417	1.0
81.07061	6.3
82.07395	0.4
83.04987	2.9
83.08622	1.9
85.02916	1.3
85.06551	1.1
87.04443	0.3
91.05493	1.3
91.09096	0.3
93.07051	3.1
95.04969	0.5
95.08611	9.8
96.04493	1.0
97.02893	100.0
97.06525	0.8
97.10179	1.1
98.03233	0.6
98.21451	0.4
99.08099	1.2
105.07025	2.8
106.02923	5.7
107.03701	0.6
107.08592	6.8
109.02863	0.4
109.06516	2.5
109.10156	28.1
110.10461	0.7
111.08086	1.3
111.11765	0.6
113.09652	0.6
119.07709	0.5
119.08580	11.7
121.10152	4.7
123.08060	3.5
123.11729	2.9
124.03955	55.9
124.12001	0.8
125.09629	0.5
133.10129	6.8
135.11690	31.1
137.09615	5.2
137.13223	0.8
139.03986	0.4
139.11189	1.6
147.04366	0.7
147.11708	0.7
149.13272	2.7
151.01765	0.4
151.11174	2.3
151.14818	3.3
153.12759	1.1
161.05981	0.4
165.12726	0.8
165.16458	0.7
166.13078	0.5
175.14828	13.4
179.05780	0.4
193.15884	22.6
196.06032	0.4
211.16934	40.9
220.06046	26.4
238.07101	26.7
256.08261	1.9
269.08820	0.4
290.25620	1.2
307.26440	0.6
308.26685	1.6
373.22125	0.9
382.11249	0.6
400.12390	32.6
448.23315	0.9
488.14682	0.4
610.20032	0.5
610.29071	3.4
638.66052	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.4517
Annotation	Batzelladine I
Peak:m/z	Relative Intensity
53.03947	2.9
55.01869	1.8
55.05509	11.3
56.62574	0.9
57.03430	3.0
57.07072	3.5
61.74565	1.0
65.03953	1.6
65.86977	1.2
66.12561	1.1
66.26274	0.9
67.05506	22.1
69.03419	1.1
69.07070	11.4
71.04974	1.4
79.05503	13.3
81.03413	1.2
81.07058	22.5
83.04985	2.3
83.08615	5.6
85.02908	1.1
85.06540	1.3
91.05476	12.4
93.07046	16.7
95.05002	2.6
95.08612	15.9
97.06525	1.0
97.10185	3.9
98.20805	3.0
99.08138	1.1
105.04511	1.2
105.07044	14.7
107.08595	11.0
109.06593	1.2
109.10160	7.4
111.08103	1.4
115.05441	1.3
117.07020	5.0
119.08578	13.0
121.06534	1.0
121.10128	5.8
122.68039	1.0
123.11688	1.9
125.09644	1.9
128.06258	2.5
129.07019	10.1
131.04953	1.4
131.08572	11.0
133.10149	8.5
135.11691	5.7
137.09633	1.3
141.07016	4.4
142.07779	1.9
143.08565	11.9
145.06549	1.6
145.10139	10.9
147.11691	5.6
147.12839	1.2
149.13316	2.1
153.07007	1.6
154.07741	1.2
155.08559	11.2
156.09387	1.2
157.10153	12.0
159.11676	8.7
161.13307	2.6
163.14903	1.3
165.06996	1.3
167.08578	5.6
168.09338	2.1
169.10130	13.2
170.10814	1.3
171.11691	11.8
173.09550	1.1
173.13290	4.9
175.14806	1.6
177.16356	1.3
179.08595	1.9
180.09195	1.1
181.10135	7.0
182.10866	1.8
183.11694	14.9
185.11916	1.3
185.13293	7.4
187.14908	2.6
193.10182	3.9
195.11682	7.4
197.13300	8.8
199.14844	5.1
201.16481	1.7
205.10043	1.2
207.11737	2.4
209.13271	8.9
211.14833	7.2
213.16412	3.4
219.11655	1.4
221.13359	2.9
223.14828	5.0
225.16383	4.9
227.17984	2.2
233.13319	1.3
235.14867	3.1
237.16444	4.5
239.18011	3.6
248.50984	1.0
251.18013	2.9
253.19589	1.7
277.21750	1.3
279.17340	1.9
297.18622	2.2
321.22156	1.2
323.23749	1.6
335.23843	1.2
337.25565	1.4
339.23203	1.2
349.25299	1.2
351.26962	1.5
361.25104	1.1
391.30051	1.3
419.29578	1.2
433.31238	1.2
447.32632	2.4
485.48218	1.1
487.11414	1.2
499.39435	2.8
517.40417	13.7
535.41400	5.9
539.37024	1.3
541.38910	1.2
573.43073	3.3
591.44128	17.4
609.45166	100.0
610.45898	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.4514
Annotation	Batzelladine I
Peak:m/z	Relative Intensity
53.03944	1.3
53.38523	0.4
55.01863	2.0
55.05513	11.4
57.03438	3.1
57.07071	1.8
65.03931	1.6
67.05507	21.5
69.06728	0.8
69.07074	11.4
69.81886	1.6
69.82299	0.7
71.04988	1.2
71.08633	0.8
77.03928	0.5
79.05495	12.5
81.07057	20.7
83.04959	0.9
83.08622	6.1
85.06528	1.2
91.05482	11.5
93.06476	1.0
93.07045	14.9
95.04962	1.0
95.08611	15.9
97.06532	1.9
97.10178	3.2
103.05463	0.6
105.07034	12.3
107.08599	10.9
109.06509	0.8
109.10158	8.1
111.08080	1.3
115.05482	1.5
117.07019	7.7
119.08591	11.5
120.66695	0.5
121.10150	6.3
121.27291	0.4
123.08050	1.1
123.11724	1.6
125.09627	1.0
127.81106	0.5
128.06229	2.1
129.07011	9.4
130.07831	0.4
131.08563	11.7
133.10130	9.1
135.11687	4.6
137.02884	0.4
137.09671	0.6
137.13283	1.0
139.11185	0.6
141.06999	5.0
142.07826	2.5
143.08562	13.2
144.09346	1.1
145.10127	12.3
147.11684	5.2
149.09677	0.5
149.13272	2.2
153.07019	1.9
154.07785	1.0
155.08557	9.7
156.09306	1.6
157.10124	13.3
158.10875	0.7
159.11697	8.7
161.13266	2.9
163.11194	0.4
163.14865	1.2
165.06979	1.1
166.07878	0.9
166.26602	0.5
167.08577	5.0
168.09323	1.4
169.10127	13.7
170.10892	1.1
171.11699	10.7
173.13252	5.3
175.14841	1.9
179.08545	2.3
180.09346	0.6
181.10133	6.6
182.10956	1.6
183.11702	14.4
184.12399	0.8
185.13254	8.4
187.14865	3.0
189.12724	0.5
189.16441	1.0
192.09383	0.5
193.10165	3.1
194.11098	0.7
195.11684	7.4
196.12534	0.6
197.13235	9.3
198.14212	0.5
199.14816	4.8
201.16493	1.7
205.10199	0.6
207.11655	2.4
208.12592	0.7
209.13275	8.2
211.14835	7.1
213.14742	0.8
213.16492	3.9
215.17953	0.5
219.11681	0.8
221.13228	3.3
222.14134	0.7
223.14812	5.9
225.16364	4.4
227.18159	3.2
233.13232	1.0
235.14874	2.5
237.16415	3.6
239.18036	2.7
241.19743	1.5
247.14905	1.0
249.16432	1.6
251.17931	2.4
253.19579	1.3
257.19177	0.7
261.16461	0.7
263.18051	1.3
265.19611	1.6
267.21078	1.2
275.20358	0.6
277.19287	0.9
279.21201	0.7
283.20483	0.6
291.21164	0.7
293.22604	0.7
295.20490	0.9
307.20535	0.9
309.22070	1.0
311.23569	0.7
321.22150	1.2
323.23691	1.1
325.21841	0.6
325.25385	0.7
335.23779	1.4
337.25391	1.3
339.26965	0.6
347.23700	0.7
349.25180	1.3
351.26910	1.6
355.25714	0.5
363.26810	1.2
365.28500	1.9
367.26315	0.9
369.27768	0.6
377.28204	1.0
379.30142	1.0
391.30133	0.6
393.31799	0.7
405.31857	0.8
407.29489	0.7
409.31189	0.9
411.29428	0.5
421.31113	0.8
433.30634	0.9
439.32199	0.6
447.32187	1.4
449.34229	0.8
473.32916	0.6
487.34067	0.5
499.39368	1.3
513.36230	0.7
515.37488	0.6
517.40466	12.7
521.35559	0.5
527.36792	0.7
535.41608	6.3
539.37439	1.8
541.39301	0.7
549.24078	0.6
553.41681	0.6
555.41431	0.9
565.42987	0.8
573.43146	1.7
579.99493	0.6
591.44067	15.3
609.26111	4.8
609.45160	100.0
610.45386	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.3458
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	0.3
56.17812	0.2
57.03448	0.3
61.03769	0.2
67.05498	0.7
67.74061	0.2
69.03418	0.4
69.07063	0.6
69.36179	0.5
69.36581	1.4
71.05000	0.2
79.05494	0.4
81.03405	0.4
81.07062	1.5
83.08615	0.3
85.02898	0.4
91.05480	0.5
93.07052	0.5
95.04970	0.3
95.08614	0.7
95.18224	0.2
97.02885	1.0
97.06546	0.3
98.21595	0.3
105.03384	0.5
105.07033	0.5
107.04955	0.2
107.08582	0.5
109.06483	0.3
109.10152	1.2
109.92927	0.2
113.17207	0.2
116.21658	0.3
119.08592	0.4
121.02878	0.3
121.06521	0.3
121.10123	0.5
123.11691	0.3
131.08553	0.2
133.10153	0.4
135.04376	0.4
135.11617	0.4
147.11664	0.3
161.05971	0.4
163.03929	0.7
167.07022	0.2
177.05458	0.3
191.03424	0.2
219.06552	0.4
259.09659	0.2
289.25452	0.4
307.26321	0.4
384.96573	0.2
443.61526	0.2
447.29276	8.5
591.28247	0.3
609.34589	100.0
610.34686	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.3484
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	4.6
55.05515	19.8
57.07069	6.7
61.50572	2.3
63.57827	2.7
67.05507	29.8
69.03431	12.3
69.07071	92.0
70.06596	4.5
70.07415	2.9
70.71616	7.5
71.04992	9.0
71.08614	3.3
73.02915	2.6
78.31527	2.2
79.05495	15.6
81.03434	4.7
81.07063	89.0
82.03789	2.4
83.04972	8.2
83.08627	14.1
85.02906	16.8
85.06555	9.2
85.64006	2.2
87.00826	3.4
91.05487	12.1
93.07049	42.9
95.04978	9.1
95.08614	68.4
97.02899	88.1
97.06541	11.4
97.10186	6.5
99.29973	2.4
105.01898	4.7
105.03449	3.6
105.07041	30.1
106.02892	3.4
107.08596	42.7
109.02869	2.8
109.06518	8.0
109.10159	58.0
111.08103	6.8
111.11733	20.1
117.07050	4.0
119.08578	24.6
121.10146	47.3
123.04470	3.3
123.08040	5.6
123.11719	78.1
124.03970	24.3
125.09652	3.6
125.13223	3.6
127.03948	5.5
131.08601	4.8
133.10129	14.2
135.04416	2.9
135.11688	32.8
135.16893	2.7
137.09610	9.9
137.13272	14.0
139.11198	28.3
144.99564	2.9
145.05000	3.0
145.10165	5.9
147.11679	28.0
149.13289	20.0
151.11220	20.5
151.14809	8.3
153.12782	10.8
159.11690	7.8
161.13245	7.4
163.03899	7.4
163.14854	9.0
165.12750	37.0
167.14345	5.1
169.12270	10.2
175.14850	10.0
177.05525	3.7
177.16302	4.3
187.14900	3.1
189.16481	3.4
191.17990	5.5
193.15871	20.7
203.17950	4.1
211.16925	20.5
215.17967	5.5
220.06033	9.4
238.07162	9.1
245.22676	6.4
251.24014	2.4
271.24301	12.0
277.25320	13.9
289.25278	60.2
295.26279	3.5
307.26324	100.0
325.27518	6.3
400.12241	13.8
420.69672	3.5
519.29156	4.7
545.11951	3.0
609.21405	30.6
609.31165	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	609.3484
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	4.6
55.05515	19.8
57.07069	6.7
61.50572	2.3
63.57827	2.7
67.05507	29.8
69.03431	12.3
69.07071	92.0
70.06596	4.5
70.07415	2.9
70.71616	7.5
71.04992	9.0
71.08614	3.3
73.02915	2.6
78.31527	2.2
79.05495	15.6
81.03434	4.7
81.07063	89.0
82.03789	2.4
83.04972	8.2
83.08627	14.1
85.02906	16.8
85.06555	9.2
85.64006	2.2
87.00826	3.4
91.05487	12.1
93.07049	42.9
95.04978	9.1
95.08614	68.4
97.02899	88.1
97.06541	11.4
97.10186	6.5
99.29973	2.4
105.01898	4.7
105.03449	3.6
105.07041	30.1
106.02892	3.4
107.08596	42.7
109.02869	2.8
109.06518	8.0
109.10159	58.0
111.08103	6.8
111.11733	20.1
117.07050	4.0
119.08578	24.6
121.10146	47.3
123.04470	3.3
123.08040	5.6
123.11719	78.1
124.03970	24.3
125.09652	3.6
125.13223	3.6
127.03948	5.5
131.08601	4.8
133.10129	14.2
135.04416	2.9
135.11688	32.8
135.16893	2.7
137.09610	9.9
137.13272	14.0
139.11198	28.3
144.99564	2.9
145.05000	3.0
145.10165	5.9
147.11679	28.0
149.13289	20.0
151.11220	20.5
151.14809	8.3
153.12782	10.8
159.11690	7.8
161.13245	7.4
163.03899	7.4
163.14854	9.0
165.12750	37.0
167.14345	5.1
169.12270	10.2
175.14850	10.0
177.05525	3.7
177.16302	4.3
187.14900	3.1
189.16481	3.4
191.17990	5.5
193.15871	20.7
203.17950	4.1
211.16925	20.5
215.17967	5.5
220.06033	9.4
238.07162	9.1
245.22676	6.4
251.24014	2.4
271.24301	12.0
277.25320	13.9
289.25278	60.2
295.26279	3.5
307.26324	100.0
325.27518	6.3
400.12241	13.8
420.69672	3.5
519.29156	4.7
545.11951	3.0
609.21405	30.6
609.31165	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	609.3271
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02379	2.2
53.03939	6.0
55.01865	7.1
55.05513	27.8
57.03438	14.2
61.02925	12.7
62.04513	1.9
65.03941	3.3
67.05507	45.9
69.03435	15.9
69.07077	11.9
71.04996	7.1
73.02911	5.9
79.05061	3.5
79.05497	43.0
81.03426	38.6
81.07059	32.8
83.04982	12.0
83.08632	15.6
85.02905	16.9
85.06536	2.3
87.04456	2.0
91.03986	5.2
91.05484	32.8
93.07048	38.0
95.04981	22.6
95.08604	17.3
97.02892	14.4
97.06527	10.5
97.09645	1.8
97.10175	13.3
99.08084	2.8
103.05447	3.5
105.07039	20.3
107.04956	8.5
107.08594	26.2
109.02899	4.9
109.06544	10.2
109.10172	16.7
111.04437	8.9
111.08105	4.5
113.06003	2.7
115.05508	2.0
117.07018	12.9
119.04967	1.9
119.08585	17.3
121.06497	11.4
121.10164	12.8
123.08065	5.2
123.11760	3.3
125.09639	10.2
127.03908	7.5
128.06255	2.2
129.06996	10.9
131.04932	5.8
131.08582	14.8
133.06496	3.6
133.10110	11.1
135.08073	6.4
135.11711	16.9
137.09607	3.5
142.07770	2.4
143.08560	8.6
145.02922	2.2
145.06473	10.8
145.10095	9.1
147.08043	4.3
147.11685	6.9
149.09576	6.6
155.08533	5.0
157.06471	3.6
157.10081	6.6
159.07973	4.8
159.11691	5.1
161.05904	2.1
161.09612	4.9
163.03912	4.1
163.11200	9.4
165.12831	2.4
167.08592	2.2
169.10100	3.1
171.08080	4.0
173.05939	3.0
173.09584	3.9
173.11784	4.1
175.07521	2.0
175.11200	5.4
177.05565	2.6
177.12694	3.0
181.12222	6.3
183.11736	3.1
185.13354	2.4
187.11281	4.3
189.11250	6.2
191.10651	2.1
193.12180	10.2
195.11749	2.7
197.09610	2.5
201.12686	2.4
203.14291	3.8
205.12181	2.7
209.11601	2.5
209.13339	2.3
211.13287	17.5
226.49275	1.9
227.12779	8.1
229.14262	3.7
239.14153	2.8
243.13831	2.8
248.14690	2.2
255.15942	2.9
267.15976	5.4
273.15048	3.6
273.18484	2.7
285.17325	2.8
291.19470	2.8
309.99466	1.9
327.15768	2.5
329.21088	2.7
337.21594	8.0
355.18530	2.6
355.22635	13.6
373.23798	5.7
403.25299	3.1
421.25439	3.1
429.26328	25.8
447.27432	100.0
465.28589	6.9
471.27304	2.8
489.28308	2.7
537.27997	3.6
555.29321	2.4
573.30365	6.0
591.31464	10.2
609.32813	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	609.2906
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.2
55.05509	5.2
57.03440	0.6
57.07066	1.6
59.04992	1.0
61.02922	0.9
62.86990	0.6
67.05507	9.6
68.05838	0.6
69.03429	4.6
69.07077	7.5
70.72697	1.1
71.04981	2.6
71.05340	0.6
79.05496	3.9
81.03411	1.3
81.07058	11.6
82.07385	1.1
83.04983	4.3
83.08630	4.0
85.02879	1.1
85.06544	1.2
91.03904	0.6
91.05487	3.1
93.07044	8.7
94.07419	0.6
95.04972	2.4
95.08610	19.2
97.02895	100.0
97.06531	1.5
97.10165	1.6
98.97587	1.0
99.08110	2.0
105.03400	8.0
105.07033	5.3
107.08601	12.6
109.06496	4.9
109.10162	53.8
110.10548	0.7
110.97509	0.7
111.08091	1.4
113.09664	0.9
119.08587	22.3
121.10149	12.0
122.10477	2.2
123.08075	6.6
123.11707	5.8
125.09659	1.3
127.03927	1.0
133.10136	11.9
135.11696	52.9
137.09625	8.4
139.11195	1.1
145.10098	1.4
147.11630	1.1
149.13263	4.0
151.11205	5.1
151.14819	6.4
153.12704	1.5
159.11644	0.8
163.03940	1.3
163.11234	0.7
165.16408	1.4
167.07094	0.7
175.14830	23.9
175.16284	1.3
181.12302	1.3
193.15886	36.4
211.16943	59.4
219.06606	2.0
237.07532	3.9
272.24658	0.7
289.25168	0.6
301.01013	0.6
331.81912	0.7
373.22134	0.7
381.11923	1.1
387.92358	0.6
447.27621	2.6
565.29083	0.7
609.24689	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.2707
Annotation	Epoxypheophorbide a
Peak:m/z	Relative Intensity
55.05511	0.7
57.03422	0.4
57.07069	0.3
66.44778	0.4
67.05507	1.8
69.07076	0.6
79.05496	1.3
81.07047	1.4
83.04963	0.5
91.05481	1.2
93.07047	2.0
95.08603	1.6
102.25681	0.3
105.07027	1.2
107.08594	0.7
109.10144	0.7
117.07011	0.8
119.08611	0.5
121.10159	0.5
131.08525	0.5
133.10155	0.6
135.11737	0.4
143.08595	0.5
145.10126	0.6
147.11758	0.4
147.95622	0.3
148.04590	0.4
157.10130	0.5
159.11688	0.6
167.08470	0.4
169.10146	0.4
171.11642	0.6
183.11697	0.4
223.12296	0.4
275.19995	0.6
302.17123	0.4
389.17862	1.0
390.18774	0.7
391.19138	0.5
402.18347	0.5
403.19327	2.0
404.20111	0.7
405.21091	2.3
406.21271	0.5
407.22067	0.9
415.19165	0.9
417.16501	0.7
417.21002	1.2
419.22775	3.0
420.23404	0.9
430.17902	1.2
431.17899	2.3
432.19492	1.5
433.20102	6.6
434.21494	0.4
443.18002	1.7
444.19522	1.6
445.19958	3.2
446.21008	3.0
447.22339	3.6
448.22580	1.1
458.21042	4.7
459.21500	3.5
460.22690	3.3
461.19864	1.2
462.19989	0.5
463.20895	2.5
473.23459	0.7
475.20822	1.2
476.21964	1.1
477.22714	1.4
478.23444	0.6
479.24268	0.4
490.23837	0.9
491.20511	0.5
503.24976	1.0
505.22403	0.8
517.22455	1.0
517.40118	0.6
518.23181	2.5
519.23877	8.9
521.24921	1.9
531.23950	1.4
532.24744	1.3
548.24982	0.5
549.24945	3.7
577.24292	0.5
581.27545	0.6
591.26068	11.8
609.27032	100.0
609.44763	3.8
610.27448	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.271
Annotation	Unknow
Peak:m/z	Relative Intensity
53.20409	0.3
53.79976	0.3
55.05496	0.4
67.05502	1.5
68.48205	0.3
69.07083	0.4
79.05495	1.1
81.07054	1.4
91.05476	1.1
93.07050	1.2
95.08602	1.0
105.07043	1.1
107.08603	0.6
109.10159	0.4
117.07015	0.5
119.08609	0.7
121.10165	0.3
131.08600	0.3
133.10136	0.8
143.08600	0.4
145.10097	0.5
147.08044	0.5
147.11600	0.4
157.10132	0.5
169.10135	0.6
175.24702	0.3
237.13972	0.4
239.15387	0.4
374.39960	0.4
374.65271	0.3
376.16983	0.6
377.17828	0.8
389.18420	0.8
390.18582	0.6
391.19220	1.4
392.20059	1.4
393.21008	0.3
401.17819	0.5
403.19812	0.7
404.20206	0.8
405.20834	2.2
406.21463	1.7
407.22290	3.3
415.19229	1.5
416.20715	0.5
419.22546	1.1
420.23184	0.8
421.23981	4.3
422.24640	0.8
427.19290	0.8
428.20142	0.7
429.20917	2.1
430.22070	0.9
431.18140	0.8
432.19424	0.9
433.15332	0.5
433.20047	1.3
433.24286	1.1
442.21948	0.4
443.22754	0.5
444.23016	1.2
445.20401	0.7
446.21124	0.7
447.17188	1.9
448.18671	0.4
449.23358	0.6
452.22290	0.6
457.23761	1.4
459.21646	1.3
460.22519	1.2
461.19095	4.2
462.20221	2.1
463.21414	1.3
465.22382	0.4
470.20926	0.5
472.22452	0.4
473.19354	0.5
474.20596	1.3
475.21072	7.5
476.21838	5.9
477.22433	4.3
478.23441	0.5
479.24454	0.4
485.23395	6.2
486.20227	2.8
487.21066	0.6
487.25412	0.5
488.22366	1.1
489.22903	5.0
493.22058	0.8
494.26825	1.0
497.23312	0.5
499.21344	3.7
500.22067	1.3
503.24603	6.9
504.21344	0.9
505.21869	0.5
507.24249	0.8
513.22968	1.6
515.24402	5.7
517.22327	2.2
518.23120	0.7
521.25940	3.7
531.23907	8.2
533.25323	0.7
535.23474	1.2
541.22479	0.6
548.23920	0.4
549.25366	2.3
550.25647	4.5
559.23456	4.6
563.26770	1.2
577.24707	1.7
591.26007	11.2
609.27063	100.0
610.27100	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.2708
Annotation	Epoxypheophorbide a
Peak:m/z	Relative Intensity
60.36236	0.3
67.05509	0.6
79.05513	0.7
81.07047	0.7
91.05440	0.4
93.07033	0.6
105.07043	0.5
107.08583	0.5
121.96223	0.4
126.04006	0.4
126.95190	0.5
147.11693	0.4
161.13319	0.4
209.10829	0.6
210.11592	0.5
221.10591	0.4
234.50267	0.4
275.20264	0.5
376.17010	0.4
377.17859	0.9
389.18677	0.7
390.18790	0.9
391.19244	1.9
392.20102	1.5
401.17841	0.8
403.19669	0.7
405.21133	2.9
406.21802	2.6
407.22305	3.3
413.17682	0.6
414.18787	0.7
415.19049	2.5
416.19318	0.5
417.21213	0.6
418.21936	0.8
419.18234	1.1
419.22644	1.4
420.23218	0.6
421.24011	4.3
422.24701	0.7
427.19296	0.7
429.20685	2.3
430.21912	1.5
431.18079	0.8
432.19681	1.4
433.20541	2.2
442.21841	0.6
443.22986	0.9
444.18228	0.5
444.23743	1.1
445.20209	1.5
446.21460	0.4
447.18237	1.5
449.23450	0.9
452.22018	0.6
457.23849	1.6
458.25443	0.6
459.21280	1.9
460.22641	1.2
461.19281	5.3
462.20450	1.9
463.21265	1.3
471.17728	0.5
472.22763	1.1
473.19238	0.5
475.21146	8.0
476.21835	5.4
477.22507	4.0
478.23444	0.7
479.24509	0.8
485.23648	9.4
486.20169	3.3
487.21204	0.7
488.22119	0.9
489.23022	4.9
493.22070	0.5
494.26740	1.0
497.23520	0.7
499.21167	1.5
500.21973	1.4
502.24423	0.6
503.24548	4.5
504.25449	0.7
513.22821	1.2
515.24561	8.7
517.22345	0.8
521.25818	3.0
531.23950	13.7
533.25635	0.6
535.23431	0.6
548.24207	0.7
549.25055	2.1
550.25592	4.6
559.23413	6.2
562.67621	0.5
577.24237	1.0
591.16541	0.9
591.26099	27.9
609.27100	100.0
610.27802	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	608.3644
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	6.4
55.01869	2.5
55.05519	17.1
57.03434	3.0
57.07080	8.8
59.05005	10.3
67.05507	29.4
69.03429	6.9
69.07069	59.7
71.04993	4.2
71.08631	3.6
77.69436	1.6
79.05494	20.0
81.03420	6.4
81.07063	83.9
83.04980	3.1
83.08619	26.5
85.02910	9.2
85.06557	4.3
87.00817	3.4
87.04447	2.7
91.05489	16.6
93.07047	100.0
93.53300	1.4
95.04977	19.8
95.08611	84.4
97.02890	34.8
97.06506	10.7
97.10181	9.1
98.03235	6.7
99.08098	1.9
103.05465	1.3
103.49281	1.4
105.01873	2.9
105.03408	2.8
105.07044	20.0
107.04958	2.2
107.08605	37.8
109.02913	2.2
109.06533	7.8
109.10160	45.9
110.10552	1.6
111.08075	14.9
111.11733	8.7
111.67875	1.7
113.09679	1.8
117.07003	3.6
119.08605	14.6
121.06505	2.4
121.10149	47.3
123.08066	4.6
123.11713	31.0
125.09641	4.5
127.03928	5.9
131.08574	5.9
133.10135	27.0
134.10448	7.4
135.04430	3.9
135.08081	2.2
135.11697	28.2
137.09633	10.3
137.13264	24.8
138.09940	4.4
139.11157	9.6
145.04993	1.8
145.10133	5.7
147.11681	8.3
147.25737	1.5
149.09634	2.7
149.13266	34.9
149.14391	2.9
151.11215	2.8
151.14886	3.4
153.12689	2.5
157.10040	1.8
159.11690	11.8
161.13235	8.7
163.03978	1.8
163.11198	2.4
163.14830	7.2
167.14363	4.5
173.13263	4.6
175.14835	4.4
177.16394	5.1
185.15382	3.3
187.14833	6.6
189.16365	4.0
191.14346	6.7
191.17931	2.7
192.14647	6.1
195.13760	1.5
201.16389	2.2
205.19563	5.8
209.15364	1.9
209.19109	3.3
210.15877	1.9
215.17900	4.7
219.06483	1.4
219.21188	3.7
229.19612	2.0
231.21088	11.7
245.22665	2.0
249.22113	5.0
271.24210	20.7
277.25357	5.5
289.25278	45.2
295.26328	12.1
307.26324	79.3
321.68961	1.7
324.13104	2.9
325.27368	37.4
365.67950	1.5
385.10913	1.7
413.95255	1.5
415.28549	2.3
519.28827	1.8
590.33502	1.5
608.35559	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	608.3644
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	6.4
55.01869	2.5
55.05519	17.1
57.03434	3.0
57.07080	8.8
59.05005	10.3
67.05507	29.4
69.03429	6.9
69.07069	59.7
71.04993	4.2
71.08631	3.6
77.69436	1.6
79.05494	20.0
81.03420	6.4
81.07063	83.9
83.04980	3.1
83.08619	26.5
85.02910	9.2
85.06557	4.3
87.00817	3.4
87.04447	2.7
91.05489	16.6
93.07047	100.0
93.53300	1.4
95.04977	19.8
95.08611	84.4
97.02890	34.8
97.06506	10.7
97.10181	9.1
98.03235	6.7
99.08098	1.9
103.05465	1.3
103.49281	1.4
105.01873	2.9
105.03408	2.8
105.07044	20.0
107.04958	2.2
107.08605	37.8
109.02913	2.2
109.06533	7.8
109.10160	45.9
110.10552	1.6
111.08075	14.9
111.11733	8.7
111.67875	1.7
113.09679	1.8
117.07003	3.6
119.08605	14.6
121.06505	2.4
121.10149	47.3
123.08066	4.6
123.11713	31.0
125.09641	4.5
127.03928	5.9
131.08574	5.9
133.10135	27.0
134.10448	7.4
135.04430	3.9
135.08081	2.2
135.11697	28.2
137.09633	10.3
137.13264	24.8
138.09940	4.4
139.11157	9.6
145.04993	1.8
145.10133	5.7
147.11681	8.3
147.25737	1.5
149.09634	2.7
149.13266	34.9
149.14391	2.9
151.11215	2.8
151.14886	3.4
153.12689	2.5
157.10040	1.8
159.11690	11.8
161.13235	8.7
163.03978	1.8
163.11198	2.4
163.14830	7.2
167.14363	4.5
173.13263	4.6
175.14835	4.4
177.16394	5.1
185.15382	3.3
187.14833	6.6
189.16365	4.0
191.14346	6.7
191.17931	2.7
192.14647	6.1
195.13760	1.5
201.16389	2.2
205.19563	5.8
209.15364	1.9
209.19109	3.3
210.15877	1.9
215.17900	4.7
219.06483	1.4
219.21188	3.7
229.19612	2.0
231.21088	11.7
245.22665	2.0
249.22113	5.0
271.24210	20.7
277.25357	5.5
289.25278	45.2
295.26328	12.1
307.26324	79.3
321.68961	1.7
324.13104	2.9
325.27368	37.4
365.67950	1.5
385.10913	1.7
413.95255	1.5
415.28549	2.3
519.28827	1.8
590.33502	1.5
608.35559	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	608.2704
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	1.6
55.90554	0.5
56.96563	1.2
57.03440	1.1
61.55653	0.5
65.03933	0.5
67.05505	2.6
68.89228	0.4
68.99815	0.4
69.03432	6.2
69.07066	2.8
70.04083	19.8
70.06584	1.1
71.04406	0.7
71.53210	0.5
72.08144	0.5
78.03459	1.7
78.61949	0.5
79.04230	0.5
79.05478	2.5
80.05012	1.2
81.03422	1.4
81.07066	3.7
83.04982	1.1
83.08626	0.5
84.08116	0.7
85.02914	3.2
87.04465	2.1
91.05486	3.0
93.07024	2.8
95.05010	0.7
95.08624	1.4
96.04488	1.2
97.02895	100.0
97.06548	1.9
99.04472	0.6
105.07041	3.3
106.02924	5.2
106.06546	0.6
107.04910	0.5
107.08598	7.3
109.06521	2.0
109.10155	3.9
111.04411	0.7
115.03920	3.0
115.05432	1.0
117.07019	1.5
119.08611	2.2
121.10149	5.4
122.07274	2.6
123.04478	1.0
124.03958	50.1
127.03899	0.7
131.08568	1.5
132.01132	0.8
133.04959	3.5
133.10135	48.0
135.04382	0.6
135.08066	5.7
135.11682	1.1
137.09618	29.1
139.03918	1.1
143.08574	0.6
145.02875	0.7
145.04910	1.0
145.10091	0.9
146.51955	0.5
147.04434	0.9
147.11705	1.2
149.09657	0.6
149.13268	4.6
151.11203	0.9
158.10741	0.6
159.11748	0.6
163.03867	2.7
163.14856	1.1
173.02257	0.5
173.13338	2.2
175.03773	0.5
177.05492	1.9
179.05768	0.7
191.14320	19.5
196.06142	0.5
202.08243	2.9
209.15381	10.7
214.76572	0.5
215.07056	1.1
220.06053	27.0
238.07117	25.8
256.08133	4.4
367.12198	0.8
382.11475	0.7
400.12384	24.0
403.17749	0.8
410.27103	1.7
418.13507	2.5
428.20825	0.5
428.28067	0.5
446.21521	1.0
564.36389	0.6
590.25781	0.7
608.27179	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	607.384
Annotation	Unknow
Peak:m/z	Relative Intensity
52.25928	2.0
53.03940	7.3
53.56018	2.3
55.01876	17.1
55.05513	24.2
56.48997	2.3
57.03424	8.6
57.07050	3.6
59.04993	7.8
61.02918	3.3
65.03931	7.2
67.05506	100.0
69.03423	7.3
69.07060	32.3
70.69753	3.4
70.70113	5.9
71.01354	2.3
71.04989	14.3
73.02921	2.3
75.04488	2.2
77.03930	2.7
79.05494	52.1
81.03422	38.3
81.07056	59.0
83.04978	9.6
83.08604	13.2
85.02896	5.5
85.06535	7.5
87.05039	2.4
89.77947	2.4
91.05483	50.1
92.96878	2.6
93.07046	51.0
95.04958	25.7
95.08603	34.2
97.02880	4.8
97.06520	21.8
97.10162	9.7
99.04499	2.0
105.07030	35.7
107.04953	13.5
107.08601	35.4
109.02920	4.9
109.06489	8.0
109.10159	56.1
111.04438	3.6
111.08079	6.5
117.07024	15.6
119.08587	26.1
121.06483	9.5
121.10150	26.5
123.04421	3.0
123.08047	4.7
123.11693	2.9
125.09620	8.9
128.06206	3.2
129.07004	9.3
131.05035	2.3
131.08548	18.7
133.06546	4.8
133.10149	21.6
135.08069	5.4
135.11685	13.3
137.09631	8.7
139.03859	3.4
141.06909	2.4
142.07745	3.4
143.08598	4.6
145.06447	3.2
145.10127	19.0
147.08043	7.8
147.11655	12.5
149.09618	16.1
149.13219	5.3
151.11150	3.0
155.08582	4.0
155.10690	3.9
157.06517	2.2
157.10117	6.5
159.08017	2.5
159.11711	10.1
161.09608	5.8
161.13326	3.6
163.11223	19.4
165.09193	3.2
167.10617	2.5
173.09531	4.9
173.11771	8.9
173.13182	3.2
175.11153	6.3
175.55077	2.3
177.12781	4.6
181.12268	4.8
183.11707	3.8
185.13252	2.9
187.14850	3.2
189.11316	2.9
191.10602	4.9
193.12230	10.3
199.13242	2.7
209.11749	2.9
211.13347	7.7
211.20834	2.2
211.23195	2.3
213.12833	2.1
225.14923	2.4
227.12782	17.7
229.14345	31.6
231.13866	3.1
249.14940	5.0
257.18948	2.3
259.15430	5.2
267.15918	18.4
273.18570	5.2
275.20090	10.9
281.17181	2.8
289.17886	2.7
291.19543	8.7
311.20032	6.0
312.61575	2.2
315.18066	6.0
329.21066	9.3
347.22113	3.8
349.23697	5.4
361.23541	3.1
365.23190	3.4
403.24713	7.5
421.25778	25.9
435.27435	6.9
437.25443	3.0
467.30157	7.0
483.30630	2.3
500.58200	2.3
517.22247	2.6
539.33490	3.5
557.35034	11.3
575.35638	5.6
589.37793	13.4
607.38599	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	607.2909
Annotation	13-epi-Phaeophorbide a methyl ester
Peak:m/z	Relative Intensity
51.65026	0.3
63.56740	0.2
65.05641	0.3
65.30376	0.3
70.80433	0.8
84.87432	0.3
95.93101	0.2
98.20813	0.3
124.45811	0.3
134.77670	0.3
161.63342	0.3
195.76733	0.3
248.83347	0.3
337.35229	0.3
388.16995	0.5
389.17401	0.6
401.18240	0.4
402.18494	0.8
403.19141	2.1
404.20035	1.1
405.20654	1.5
416.20236	0.8
417.16330	0.6
417.21442	2.7
418.21594	1.2
419.22409	2.3
430.17676	0.9
431.18256	5.8
431.23483	0.4
432.19431	1.1
432.24005	0.5
432.92688	0.3
433.24088	6.7
434.24680	1.3
444.19006	0.4
445.19760	7.2
446.20706	4.1
447.21625	3.8
459.21509	4.1
460.17276	0.2
460.22559	10.2
461.23318	10.9
462.24338	0.5
473.23413	2.8
474.24255	0.9
477.23077	0.5
487.25119	1.5
488.25601	0.7
489.22964	0.7
492.25360	0.8
505.21771	2.8
506.26874	0.5
515.24561	0.8
518.23016	0.6
519.24182	1.8
532.24524	0.6
533.25659	0.5
547.27039	31.6
548.27698	0.8
575.26483	0.9
578.24951	0.7
579.28979	0.4
607.29144	100.0
608.29553	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.2911
Annotation	13-epi-Phaeophorbide a methyl ester
Peak:m/z	Relative Intensity
56.15175	0.3
61.44488	0.3
61.80220	0.3
91.25382	0.4
95.58309	0.3
97.80676	0.3
370.70261	0.3
387.15955	0.5
388.17007	0.6
389.17642	0.7
390.18359	0.5
402.18512	0.8
403.19180	2.5
404.19901	0.6
405.20782	1.0
415.19260	0.5
416.20505	0.8
417.15952	0.6
417.21332	3.1
418.21652	1.8
419.22409	2.0
429.21222	0.5
430.17343	0.5
430.22287	0.5
431.18158	6.4
431.23535	0.5
432.18887	1.8
433.24197	7.1
434.24567	0.6
444.19266	0.8
445.19870	7.3
446.20648	3.8
447.21606	3.3
459.21320	4.5
460.17743	0.3
460.22519	10.5
461.23361	11.6
473.23294	3.3
474.23911	1.2
477.22778	0.5
487.25204	1.7
491.24838	0.5
492.25311	0.7
505.22678	1.9
506.26749	0.7
515.24182	0.6
519.24298	1.3
519.26880	1.1
532.24585	0.9
547.27045	42.8
548.27173	0.8
575.26117	0.9
579.29755	0.8
607.29144	100.0
608.29480	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.2554
Annotation	Trigonosin B
Peak:m/z	Relative Intensity
52.74665	0.7
53.03934	0.9
53.22256	0.6
55.01872	1.2
55.05505	1.5
56.96548	0.9
61.02928	1.1
67.05515	5.6
69.07066	1.1
71.52377	1.1
79.05511	3.8
81.03413	1.8
81.07056	5.6
83.08609	1.0
85.02892	1.3
91.05478	3.2
93.07036	3.5
95.04983	1.3
95.08595	3.3
97.02887	1.3
97.06536	1.4
97.39446	0.7
105.07040	2.7
107.04936	1.5
107.08611	2.2
109.06499	1.0
109.10155	2.4
117.07082	1.5
119.08562	2.1
121.10136	1.0
127.03890	0.7
131.08575	1.4
133.10106	2.1
145.10135	1.6
147.11674	1.1
151.11174	0.7
229.14365	0.8
255.09007	0.9
275.20135	1.3
277.77863	0.7
359.08310	1.0
375.16425	1.0
377.08969	1.5
389.17685	2.4
391.19290	1.2
402.18497	0.9
403.10757	0.8
403.19495	4.8
404.19885	1.3
404.32092	0.8
405.20764	2.1
416.16528	1.3
417.16309	4.4
417.21628	1.5
419.22345	5.9
431.18265	6.9
432.19592	2.3
433.20276	2.8
445.20203	4.7
446.21002	6.8
447.21848	7.7
448.22549	0.9
459.22321	1.0
461.19754	1.7
462.23987	0.8
463.30563	0.9
468.14600	1.4
474.20654	4.6
475.21234	5.1
487.21445	1.6
491.20724	2.6
501.22992	1.3
503.34216	1.1
519.24164	15.8
529.23108	1.0
531.23383	1.4
547.23413	12.5
579.26044	5.7
607.25513	100.0
608.25629	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.2549
Annotation	Kadangustin D
Peak:m/z	Relative Intensity
55.01851	0.4
55.05495	0.8
57.07052	0.7
67.05471	1.8
69.07036	1.1
69.87219	0.4
70.85708	0.4
71.05007	0.4
71.08602	0.6
71.52193	0.7
71.62392	0.4
76.56113	0.4
79.05450	1.7
81.07017	1.9
82.07335	0.5
82.90727	0.5
83.04944	0.6
91.05483	2.0
93.06993	1.3
95.08567	1.7
105.07030	2.6
107.08561	1.5
109.06470	0.5
109.10130	0.9
114.60441	0.4
117.06983	0.9
119.08524	1.5
121.10161	0.5
123.05525	0.8
127.29143	0.5
131.08566	0.7
133.10089	1.8
145.10100	1.0
147.11678	1.3
149.09633	0.5
159.11562	0.4
191.91512	0.4
226.32678	0.4
253.64795	0.4
275.20065	2.0
276.20328	0.5
313.27460	0.7
365.06888	0.4
375.15878	0.8
387.16113	0.5
388.16827	1.5
389.17612	2.8
390.18387	1.0
391.19165	1.3
401.17871	0.6
402.14157	0.7
402.18619	1.3
403.19409	5.0
404.20102	2.2
405.21048	2.0
415.19324	0.7
416.16205	1.4
416.20862	0.7
417.16125	4.5
417.21057	3.0
418.17163	0.7
418.22144	0.8
419.22363	7.9
420.22946	0.7
430.17624	1.4
431.18225	9.2
431.23438	0.6
432.19156	4.0
433.20044	2.9
445.20447	8.2
446.21121	6.3
447.21710	9.8
448.22659	0.7
457.19940	0.5
459.17352	1.2
459.22305	1.4
460.18378	1.1
461.19330	2.0
463.25650	0.9
473.19769	1.4
474.20425	10.0
474.26581	0.7
475.21262	10.9
475.27634	0.7
477.23053	0.6
487.21484	2.2
488.22006	0.6
490.23434	1.5
491.20511	1.7
491.25232	0.8
501.22809	2.1
505.22284	0.9
518.22772	0.8
519.24152	12.5
529.22052	0.6
547.23407	61.3
548.23535	0.9
561.25018	0.8
579.26038	4.3
589.23804	0.9
607.25494	100.0
608.25507	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	607.2553
Annotation	Trigonosin B
Peak:m/z	Relative Intensity
55.05483	0.2
61.73744	0.1
65.25425	0.2
67.05501	0.3
69.25446	0.4
69.25855	1.2
69.80965	0.1
73.99947	0.2
77.09332	0.2
80.75428	0.2
81.07064	0.2
81.88573	0.1
84.58788	0.2
91.05514	0.2
93.06995	0.2
95.08641	0.2
98.21509	0.4
102.59016	0.2
105.07072	0.2
139.79390	0.1
195.09209	0.3
209.10818	0.3
210.11482	0.2
221.10756	0.3
233.10742	0.2
235.12396	0.2
286.13483	0.2
338.16571	0.2
352.14618	0.3
373.14816	0.3
374.15424	0.2
375.15970	0.7
376.17349	0.3
377.17816	0.2
386.16684	0.2
387.16031	0.4
388.16760	1.0
389.17682	2.5
390.18665	1.1
391.19022	1.1
400.16974	0.2
401.17877	0.6
402.14227	0.3
402.19022	0.9
403.15485	0.7
403.19528	4.3
404.20068	1.7
405.20804	3.5
407.22586	0.3
415.19467	0.5
416.15527	0.8
416.20844	0.3
417.16193	3.9
417.21176	2.1
418.17761	1.1
418.21774	1.0
419.22501	6.5
420.23065	0.6
429.21283	0.3
430.18054	0.8
431.18341	6.9
432.19138	3.0
433.20078	3.6
435.21451	0.2
441.17047	0.2
443.18658	0.5
444.19525	0.5
445.20251	5.1
446.21036	8.4
447.21777	7.5
448.23013	0.3
449.19662	0.2
456.19540	0.2
457.19995	0.3
459.17645	0.9
459.22083	1.4
460.18121	1.0
461.19666	1.8
462.24973	0.2
463.20313	0.4
463.25104	0.8
473.19547	0.9
473.24155	0.7
474.20459	5.1
474.51199	0.2
475.21106	4.4
477.23389	0.8
478.23764	1.0
487.21524	1.5
488.22314	0.4
489.18683	0.2
490.23651	0.5
491.20013	2.4
501.22964	1.0
502.23694	0.2
504.21768	0.4
505.22556	1.0
506.23010	0.5
518.23138	0.2
519.24066	18.2
520.24408	0.2
529.22253	0.3
532.20746	0.3
533.21448	0.2
547.23444	14.2
548.23743	0.4
550.21759	0.2
551.26593	0.6
561.25317	0.4
579.26062	5.8
589.24548	0.5
607.25525	100.0
608.25781	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.2364
Annotation	Woorenoside II
Peak:m/z	Relative Intensity
53.03914	0.4
54.06713	0.3
56.96583	0.4
69.03424	0.7
69.24759	1.5
69.25177	1.9
70.06578	0.9
72.08128	0.5
84.04489	0.4
84.08128	0.6
85.02883	0.5
86.09729	0.5
90.72908	0.4
91.05476	0.9
91.42932	0.4
91.71741	0.3
97.02859	0.6
97.06515	0.5
98.21587	0.6
98.97601	2.0
101.45267	0.4
103.05454	0.6
106.02961	0.5
110.65781	0.5
116.98633	0.7
124.03953	0.6
131.04930	1.2
135.04430	0.6
137.02356	0.8
137.05972	0.6
139.03925	0.5
139.33443	0.4
151.03922	1.3
163.03918	1.6
172.02890	0.4
177.00685	0.5
177.05542	0.5
189.05244	15.8
190.05989	1.8
191.14247	0.4
336.62585	0.4
344.08536	0.4
358.22229	0.4
395.17798	0.5
396.17844	0.5
402.80222	0.4
404.13760	0.4
429.15198	2.2
444.17673	2.0
445.18372	11.7
473.11389	0.4
522.21124	0.6
566.19989	0.9
584.21033	1.4
607.23621	100.0
608.24170	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.2364
Annotation	Unknow
Peak:m/z	Relative Intensity
54.87074	0.5
55.05506	1.1
61.02921	0.5
61.15585	0.5
69.03419	0.6
69.40067	0.5
69.40400	4.0
70.06592	5.4
72.08154	1.6
74.12728	0.4
74.67266	0.5
81.03411	1.0
83.06051	0.5
85.02888	0.9
86.09732	0.9
91.04044	0.5
91.05486	2.5
93.07049	0.8
95.05006	0.7
97.02887	1.8
97.06480	0.6
98.97608	0.7
102.01611	0.5
103.05476	0.7
105.29388	0.5
105.38978	0.6
107.04967	0.9
109.02876	0.5
116.01106	0.5
116.07069	0.8
117.03408	0.6
117.07024	0.5
119.04957	1.2
120.08100	2.6
121.02804	0.6
121.06553	0.7
123.04407	1.7
127.03922	0.8
130.77928	0.5
135.04439	1.1
136.07588	4.9
139.03967	1.5
145.02856	1.3
147.04366	1.3
148.04803	0.6
163.03908	3.5
163.11127	0.7
167.06995	0.9
199.15132	0.6
215.07008	1.1
258.75269	0.5
259.09717	0.6
273.09540	1.4
283.15424	0.7
301.06674	0.6
321.04880	0.5
563.28424	0.9
598.29791	0.6
607.23602	100.0
608.24042	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	606.4728
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	2.6
55.05502	6.3
57.03443	2.5
57.07066	5.6
59.22007	1.4
67.05508	17.4
67.34235	1.5
69.03436	1.8
69.07064	5.8
71.04998	2.4
71.08631	25.4
71.24156	2.4
78.96736	1.2
79.05499	11.7
81.03417	10.0
81.07052	16.0
83.04975	7.4
83.08629	1.9
85.02882	2.2
85.06560	6.6
91.05483	11.1
93.07048	14.0
95.04960	14.3
95.08608	20.5
97.06500	2.4
99.04452	3.3
99.08094	23.7
105.07026	5.8
107.08615	7.7
109.10156	8.1
113.06000	1.8
114.49283	1.2
117.07024	4.2
119.07828	1.5
119.08546	7.1
121.10167	4.5
123.08082	2.0
126.17272	1.4
131.08582	4.7
133.10141	7.1
135.11694	4.6
137.08655	1.2
137.09613	5.4
139.11174	1.3
141.09120	1.9
149.09628	2.0
149.13245	6.0
151.11183	59.1
155.10669	7.2
159.11664	5.9
159.24115	1.5
161.09666	1.6
165.12807	1.7
167.14326	6.4
173.68404	1.3
177.12721	8.1
191.14322	1.5
195.13803	26.5
228.86476	1.4
247.20718	1.4
261.22086	4.1
275.19998	11.1
277.21677	3.5
293.21109	100.0
311.22168	2.9
464.38043	1.5
490.97729	1.6
535.41577	1.8
571.42761	2.0
588.47150	1.7
607.29706	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	606.4732
Annotation	Unknow
Peak:m/z	Relative Intensity
52.87362	5.9
53.03928	9.1
55.01876	8.2
55.05515	36.0
57.07064	25.7
67.05504	53.5
69.07072	34.9
71.08629	14.7
71.12409	10.1
73.28377	6.3
74.40792	6.0
79.05491	47.2
81.03397	11.2
81.07053	52.9
83.04970	14.7
83.08624	25.5
85.06510	9.3
85.10174	18.8
88.02234	7.6
91.05486	40.2
93.07038	47.2
95.04975	23.3
95.08598	53.4
97.06509	17.4
97.10194	9.1
105.07030	44.7
107.04950	7.5
107.08590	28.6
109.06563	10.3
109.10155	13.1
113.09660	17.4
117.07043	7.3
119.08580	30.8
121.10141	26.9
127.60410	6.1
129.06996	7.5
131.08560	22.4
133.10130	24.0
135.11684	14.9
137.09598	7.8
139.11238	7.3
143.08612	8.5
145.10132	24.7
147.11624	15.9
149.09645	18.8
151.11203	6.6
159.11719	12.4
163.11160	10.2
165.12776	20.2
171.11784	8.8
173.13405	6.8
175.11327	5.8
179.55200	6.5
190.01921	6.8
203.12733	10.5
223.13356	12.3
259.20596	8.2
275.20041	100.0
276.20544	9.1
277.21613	79.0
279.23773	7.2
293.21176	33.5
295.22668	70.9
313.27176	14.7
376.13254	7.0
425.34436	7.1
466.23584	6.7
486.74402	6.4
553.42468	12.7
606.48413	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	606.2762
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03967	0.4
55.01865	0.4
55.05507	2.3
56.96559	0.4
57.03427	1.2
57.07075	2.9
58.79179	0.3
59.05001	0.3
61.02927	0.7
63.90635	0.3
65.03933	0.8
65.85331	0.3
67.05497	1.2
69.03426	2.3
69.07069	0.5
71.01347	0.3
71.04987	0.3
71.52647	0.5
73.02916	2.4
78.69789	0.2
79.05500	0.9
81.03410	1.1
81.07046	0.9
83.05001	0.5
85.02913	2.8
86.09718	0.4
87.04465	0.9
91.05478	0.6
93.07030	0.8
95.04978	0.6
95.08610	0.7
97.02904	3.6
97.06522	0.6
97.71170	0.3
105.07034	0.8
107.08625	0.8
109.02882	0.4
109.10157	0.8
115.03931	1.2
119.08583	0.7
121.02872	1.7
121.06501	0.4
121.10098	0.5
123.11770	0.3
127.03896	0.8
133.04967	0.7
133.10098	0.8
135.04517	0.4
135.11714	0.5
139.03876	0.3
145.06352	0.3
147.11681	0.4
149.02348	100.0
150.02754	0.3
158.97676	1.2
159.08133	0.3
163.03851	1.3
167.03464	0.9
179.10458	0.3
184.07257	0.4
186.97227	0.4
205.08609	23.9
221.08040	1.4
229.07649	0.3
231.24413	0.3
256.00388	3.2
259.09824	0.7
267.09082	0.4
277.14352	14.9
290.96735	0.3
295.15430	2.4
301.09738	0.3
356.14951	0.3
358.07150	1.7
606.22412	0.5
606.32709	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.2207
Annotation	Unknow
Peak:m/z	Relative Intensity
56.89280	0.2
62.37752	0.2
70.06598	1.4
71.52793	0.3
71.53206	0.3
72.08166	0.3
84.08150	0.4
85.02908	0.3
86.09709	0.3
88.23385	0.3
91.05479	0.4
94.51303	0.3
95.04995	0.3
97.02900	0.5
104.65366	0.2
107.04932	0.3
110.07217	0.3
111.61181	0.3
120.08146	0.5
123.04452	0.7
135.04427	0.8
136.50558	0.3
139.03949	0.4
140.13161	0.3
153.05469	0.5
159.08022	0.3
161.06035	0.4
163.03938	1.0
168.97803	0.3
177.05528	0.3
189.05255	0.4
205.04588	0.3
206.04535	0.4
249.11380	0.5
277.08560	0.3
348.28381	0.3
397.12515	1.3
433.14127	0.5
590.19360	0.5
605.22070	100.0
606.22382	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.4779
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	7.9
55.01867	14.1
55.05514	33.5
57.03432	9.2
57.07078	54.7
63.97748	3.3
65.03941	3.9
67.05173	6.1
67.05510	67.8
69.03448	4.2
69.07075	28.1
70.46907	3.5
71.05004	6.5
71.08647	34.5
71.09027	5.9
71.52593	6.4
73.22672	3.4
79.05496	51.7
81.03456	4.4
81.07062	78.0
82.29868	3.2
83.01111	6.7
83.04978	11.0
83.08629	24.7
85.10172	17.4
90.91109	3.5
91.05492	41.5
93.07041	36.9
95.04987	14.3
95.08613	55.2
97.06545	21.6
97.10172	20.4
99.08112	3.9
105.07036	53.4
107.04954	19.0
107.08611	44.0
109.06525	14.1
109.10151	36.1
117.07014	12.4
119.08584	36.1
121.10167	21.7
123.11711	10.2
125.09641	8.6
127.03728	4.3
131.08554	18.8
133.10126	28.3
135.08092	5.8
135.11696	9.4
137.09618	6.2
137.13304	5.6
145.10118	26.4
147.11705	23.3
149.09618	25.8
149.13309	5.3
151.11157	6.2
157.10136	6.0
159.11728	11.0
161.13271	7.1
163.11192	14.0
165.12820	5.5
166.82106	3.5
171.11659	6.8
173.13309	9.4
177.12764	4.3
185.13235	3.7
189.11179	6.6
197.13214	3.7
216.78992	3.5
225.21440	3.4
227.12822	16.3
239.18062	5.9
239.23770	6.1
239.33163	3.5
247.20599	7.1
257.18991	14.5
275.20059	100.0
293.21097	14.8
313.27383	78.0
349.23743	49.1
379.28195	5.9
394.79922	4.3
413.18695	4.5
434.87003	3.7
483.36829	3.8
587.38123	5.7
587.46808	64.4
605.32416	75.3
605.39545	3.7
605.48322	55.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	604.4575
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	8.1
55.05510	24.6
57.07064	10.2
67.05499	24.6
68.98600	4.4
69.07077	24.8
69.40935	41.3
71.08639	6.5
79.05498	44.0
81.07058	32.9
83.05002	6.8
83.08602	16.9
85.10196	6.9
86.10131	5.9
91.05474	34.0
93.07050	39.4
95.04946	13.8
95.08624	26.8
97.10155	11.3
105.07063	37.9
107.04922	12.2
107.08587	25.4
109.06483	7.4
109.10136	9.2
117.07027	16.3
119.08556	25.6
121.06493	6.1
121.10130	19.7
128.06224	5.1
131.08565	18.7
133.10132	26.9
135.08073	13.8
135.11722	8.6
139.11235	7.9
143.08510	6.7
145.10089	16.1
147.11725	7.9
149.09590	10.8
151.11163	7.0
159.11671	7.9
161.13202	6.1
163.11221	11.9
167.23676	4.8
169.07726	5.3
203.12752	9.6
257.18979	8.4
259.20654	5.6
265.82230	5.0
275.20090	100.0
277.21729	17.3
293.21112	22.3
308.62357	6.0
322.64246	5.6
324.25452	6.2
441.31940	6.3
604.45068	56.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	604.4576
Annotation	Unknow
Peak:m/z	Relative Intensity
51.30580	1.5
53.03941	2.5
55.01865	6.4
55.05514	23.4
56.90676	1.5
57.03425	3.2
57.07074	4.7
59.04998	1.7
64.37175	1.5
65.03953	1.4
67.05505	27.5
69.03416	2.9
69.07069	12.6
70.07044	6.4
71.04994	3.8
71.08627	3.6
79.05492	26.7
81.03413	4.1
81.07063	47.6
82.07366	1.8
83.04995	10.6
83.08617	12.1
85.02907	2.0
85.06556	2.7
85.10183	1.8
91.05483	19.0
93.07050	25.5
95.04966	15.7
95.08607	15.1
97.06529	2.9
97.10174	17.5
103.49088	1.7
105.07029	16.7
107.04958	7.7
107.08598	17.9
109.06530	9.6
109.10155	11.3
111.04444	7.2
111.08083	5.9
113.06037	2.5
113.57175	1.5
115.05415	1.7
117.07018	10.1
119.08572	21.0
121.06506	6.2
121.10150	9.6
123.08051	6.8
125.09643	13.6
128.06268	2.2
129.06987	6.7
130.08656	1.7
131.08563	11.3
133.10170	7.6
135.08073	8.2
135.11700	5.5
137.09572	2.7
139.11211	2.5
143.08566	5.4
145.10136	15.2
147.08041	10.8
147.11728	4.1
149.09639	6.6
153.09116	6.3
153.12801	3.0
157.10152	3.9
159.11684	4.6
161.09613	5.2
161.13269	2.5
163.11174	6.8
165.09090	5.2
169.10147	1.8
171.10292	1.6
171.11673	3.9
173.09631	2.3
177.12788	3.3
181.12210	4.6
189.11226	12.8
191.10632	4.5
209.11765	2.7
223.13290	4.3
227.12737	5.5
242.41736	1.6
243.21098	2.1
245.18982	2.7
249.14876	3.5
255.17397	2.4
261.22025	4.2
273.18512	23.1
275.20044	5.8
277.21606	4.4
291.19556	100.0
292.19849	6.5
293.21060	5.2
309.20578	4.5
313.27237	1.7
348.22470	1.7
354.64972	1.4
368.43295	1.6
374.10281	1.7
379.34412	1.7
465.36487	1.8
494.69019	1.5
551.40753	2.1
569.42102	2.9
572.31378	1.7
604.46600	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	604.4574
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	2.2
55.01875	7.8
55.05511	9.9
57.03431	1.8
57.07068	1.2
59.04961	0.7
67.05507	19.8
69.03400	1.5
69.07070	28.1
69.09617	0.7
71.04974	1.6
71.08630	1.5
72.00891	0.7
73.75407	0.6
75.32643	0.6
77.03938	0.9
78.66887	0.7
79.05495	23.6
81.02991	1.2
81.03427	16.6
81.06594	1.3
81.07057	22.8
83.04983	12.1
83.08617	3.5
85.02901	1.1
85.06523	1.5
90.65244	0.7
91.05478	16.3
91.10564	0.6
93.07040	26.5
95.04984	7.3
95.08610	20.5
97.06502	6.9
97.10172	4.4
98.21521	1.7
99.04456	2.5
99.08096	0.9
103.17686	0.6
105.04478	1.1
105.07034	12.0
107.04955	44.4
107.08596	14.5
109.06516	3.3
109.10158	8.1
111.04436	7.3
111.08058	1.9
111.11714	1.0
113.05990	0.9
117.07013	6.1
119.08585	11.6
121.06525	3.6
121.10139	13.5
123.08070	4.7
123.11674	1.6
125.09633	2.6
129.07004	2.9
131.08571	10.1
133.06511	3.6
133.10114	8.2
135.08038	4.5
135.11670	3.3
137.09654	4.1
139.11189	4.6
141.06921	1.1
143.08548	2.7
145.10127	6.3
147.08060	2.8
147.11678	4.2
149.09622	29.0
149.13240	3.0
151.07549	2.6
151.11151	1.9
153.09108	2.7
155.08511	0.9
155.10753	1.2
157.10141	3.6
159.11694	5.4
161.09612	4.6
161.13266	1.7
163.11174	2.3
165.09201	1.1
165.12695	0.9
167.08609	1.2
167.10677	2.2
167.14302	2.7
169.10123	1.6
171.11700	2.2
173.13235	1.0
175.11165	5.6
177.09119	0.8
177.12746	2.9
179.10687	3.2
181.12163	0.8
185.09618	0.8
185.13240	1.4
187.11134	1.3
187.14861	0.8
193.12189	2.3
195.11842	1.2
195.13805	5.4
199.11273	0.9
203.10901	1.0
203.12781	2.2
221.11707	1.3
223.13278	1.5
224.59511	0.7
235.13330	2.8
237.16455	0.9
245.19061	2.5
250.46397	0.7
255.17314	2.1
261.22137	3.2
263.20102	2.6
263.49496	0.7
273.18484	13.8
275.20016	4.1
277.21793	4.2
291.19537	100.0
293.21170	1.8
295.22693	2.1
309.20612	3.2
315.23276	0.7
533.39801	0.9
551.40735	1.7
569.41760	2.6
604.44214	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	604.3906
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03159	0.3
57.03440	5.7
59.05003	100.0
61.02924	0.5
67.05499	0.5
69.03429	1.1
69.40405	2.4
70.06600	0.7
76.59102	0.3
79.05459	0.3
81.03424	0.8
81.07048	0.5
84.08140	0.3
85.02900	3.5
86.09695	0.5
91.05479	0.4
92.37715	0.3
95.08602	0.3
97.02892	1.3
97.06530	0.5
99.04451	0.3
99.08088	1.4
101.09663	1.6
105.07039	0.5
107.08614	0.6
109.02895	0.3
112.07605	0.3
115.07594	2.7
117.09136	40.7
127.03889	0.4
129.46692	0.3
130.71901	0.3
134.06705	0.3
135.10146	0.7
145.04939	0.5
147.04385	0.5
151.03868	0.9
158.11778	0.4
159.13817	0.4
160.11633	0.3
160.50398	0.3
163.03879	0.5
175.13306	22.4
184.07330	0.7
193.14336	1.1
210.19133	0.3
219.10136	0.9
226.14351	0.3
233.17462	9.9
251.18520	4.3
259.09595	0.3
291.21725	2.1
309.22702	1.4
328.47772	0.3
367.26791	0.7
425.31088	18.4
604.17499	0.6
604.28693	0.3
604.43842	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.4259
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	4.8
53.44670	3.0
55.01878	5.9
55.04524	3.0
55.05515	22.8
57.03445	17.6
57.07072	13.8
66.08852	2.9
66.15787	3.2
67.05511	57.7
69.07061	23.5
71.04976	4.7
71.08630	21.7
79.05146	3.7
79.05505	45.1
81.03423	16.2
81.07059	70.6
83.04984	15.8
83.08625	17.0
85.06514	9.5
91.05486	40.6
93.07046	60.2
95.04973	36.9
95.08607	45.8
97.06522	7.7
97.10161	13.5
97.39269	2.9
99.08102	13.1
105.07041	32.5
107.04946	13.0
107.08612	35.4
109.06519	30.0
109.10135	20.2
113.06016	18.5
117.07032	19.9
119.08586	32.7
121.06512	9.9
121.10181	23.2
123.08056	13.2
125.09629	7.9
128.06190	4.0
129.07030	7.8
131.08554	22.9
133.06474	5.0
133.10135	17.3
135.08066	22.0
135.11700	22.5
137.09621	11.5
143.08524	8.9
145.06458	4.1
145.10167	16.0
147.08072	13.7
147.11694	10.3
149.09630	11.1
149.13275	10.4
151.11180	13.1
153.09076	3.7
155.08609	3.9
157.10088	10.3
159.11674	7.6
161.09593	6.3
161.13197	6.3
163.11191	9.8
165.09117	3.9
171.11638	7.0
175.11205	6.7
177.12750	5.8
179.14313	44.7
189.11232	6.6
189.12756	5.4
191.14211	3.5
191.22479	3.8
193.12239	5.5
199.14754	4.5
201.12654	3.2
217.15848	19.4
223.13133	4.5
227.17763	4.7
233.15491	4.3
245.18976	5.5
249.14975	3.8
259.20709	5.2
273.18478	56.0
275.20169	16.8
277.21637	61.1
291.19556	100.0
293.21213	15.4
295.22711	38.0
309.20627	3.7
313.27328	22.1
347.22168	15.1
389.69855	3.2
389.84427	3.3
453.65952	3.8
557.80487	3.7
585.44678	8.1
603.45581	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	602.3174
Annotation	Unknow
Peak:m/z	Relative Intensity
50.77388	3.3
53.03947	8.2
55.01866	12.6
55.05507	4.4
57.03444	8.4
59.05012	16.2
61.02924	8.3
62.52116	3.2
63.01402	2.9
63.14649	3.3
67.05504	12.2
69.03432	35.8
69.07072	6.8
70.06599	7.4
71.05003	5.8
71.07271	2.9
71.53196	6.1
73.02925	8.8
74.01234	3.6
74.46480	3.1
79.05501	12.9
81.03420	35.2
81.07056	7.9
83.04969	3.8
84.08184	3.6
85.02908	100.0
86.09681	4.0
87.00841	40.5
87.04514	3.3
91.05476	14.0
93.07050	11.0
95.04980	7.2
95.08595	13.0
96.04507	11.4
97.02895	60.1
97.06515	8.8
98.69947	3.8
99.04462	13.4
101.62063	3.5
105.01868	58.5
105.07031	8.7
107.08605	11.6
107.36267	3.0
109.02892	40.3
109.10174	12.9
117.01826	4.2
117.09143	7.2
119.08591	6.3
121.06500	9.9
121.10171	12.3
123.04454	4.0
123.11713	4.6
127.03922	85.6
129.01851	4.9
131.08594	7.3
133.10129	10.5
133.13290	3.2
135.11681	5.1
137.06081	4.3
138.09222	3.8
139.03880	5.5
145.04938	40.4
145.10204	8.5
147.02914	4.4
147.04408	4.6
147.11713	6.9
159.02879	21.5
159.11705	9.9
161.13264	4.6
163.03885	12.2
173.13277	7.4
177.05569	3.3
180.13791	3.6
185.13318	3.8
191.14445	4.2
203.14430	4.1
213.03957	4.9
221.02180	3.5
231.05014	31.3
249.06032	9.0
255.21109	37.1
259.09692	9.9
273.22083	45.3
291.06854	4.0
301.21667	23.9
319.22784	16.8
549.26892	10.6
570.23743	3.9
602.28424	17.1
602.42480	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	602.296
Annotation	Unknow
Peak:m/z	Relative Intensity
53.22181	0.5
54.04675	0.5
55.05526	0.6
57.07072	4.4
57.59590	0.5
58.06595	1.5
60.82531	0.5
65.03934	1.1
67.05496	2.0
68.05045	0.4
68.99769	0.6
69.07061	1.3
69.63335	0.5
70.06594	17.2
71.08630	3.1
72.08151	0.8
74.59183	0.4
75.25481	0.5
79.05482	1.6
81.03436	0.8
81.07056	1.2
81.76097	0.6
83.08585	0.5
85.02910	0.8
88.07635	17.8
91.05490	1.0
93.07054	0.7
95.08617	0.6
96.04487	1.1
97.02889	0.9
99.01897	0.5
102.09187	11.3
103.03928	0.8
107.08601	1.0
109.10160	1.1
136.07564	0.6
139.03899	3.3
149.02348	32.7
149.03308	1.2
156.17476	0.9
159.16986	0.6
163.03912	0.9
175.03925	0.7
177.05534	1.1
193.04971	39.5
200.20102	43.3
217.07516	0.6
219.06584	0.8
225.05504	1.2
226.29887	0.6
237.07607	11.4
242.12206	0.7
244.22829	1.4
269.04355	1.2
278.46588	0.5
283.15204	0.9
297.03961	1.7
313.07141	1.9
341.06631	8.0
345.72485	0.6
359.07581	7.0
379.18973	0.9
385.09149	17.9
403.09973	0.6
409.00351	0.5
429.11841	23.5
430.19620	0.7
432.19412	0.8
455.25720	3.4
474.17938	0.6
475.51279	0.5
512.29279	3.2
584.28876	1.7
602.29584	100.0
603.30054	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	602.3173
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01255	0.4
57.03403	0.5
69.03425	2.6
69.50712	0.9
69.51126	2.5
69.84665	0.4
70.06551	1.5
81.03378	0.7
83.08578	0.5
85.02899	2.6
86.09674	0.6
87.04443	0.9
91.05453	0.9
93.06982	1.2
94.46019	0.4
95.08559	0.6
96.08073	0.6
97.02876	1.9
98.09698	4.3
105.07071	0.4
107.06072	0.6
107.06796	0.4
107.08559	1.2
109.10159	0.6
114.05486	0.8
116.07064	1.1
119.08524	0.6
121.04113	0.4
121.06526	2.3
121.10113	0.8
127.03896	0.4
131.08510	0.5
133.10135	0.7
135.11607	1.1
139.03868	1.1
139.46219	0.4
142.08606	0.7
144.10170	1.0
148.11197	0.7
151.03943	0.4
152.05629	1.3
156.10120	0.5
161.09482	0.4
162.12718	1.2
168.10228	0.5
174.12776	9.7
182.11755	3.5
188.14339	0.7
190.15855	1.3
192.64462	0.4
194.11752	1.2
206.11688	1.0
207.12459	1.2
208.13239	0.7
210.03098	0.4
220.13329	20.3
230.19115	0.5
232.13408	0.7
234.14824	1.3
235.15665	3.0
236.16429	0.8
244.20407	0.4
248.16425	5.9
249.11310	0.5
262.21680	1.7
272.05707	0.4
288.14600	0.4
290.21118	6.1
292.18893	0.7
302.13977	0.5
308.22195	100.0
312.46356	0.4
350.23331	0.9
440.16995	0.9
450.19730	1.5
452.26535	1.0
452.33469	0.4
470.27499	93.5
471.27750	0.8
602.22894	1.6
602.31799	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	602.2811
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.8
56.96579	0.5
61.02913	0.6
67.05481	0.5
69.03440	1.0
69.31350	3.8
70.06591	0.5
78.04704	2.0
79.05499	2.8
81.03407	1.2
81.07038	0.7
81.75333	0.4
82.79419	0.4
84.08161	0.6
85.02891	2.0
91.05476	2.6
93.07058	2.1
95.04952	1.0
97.02901	3.4
97.06539	0.5
103.05474	5.5
105.07035	4.4
106.04165	1.0
107.04960	7.1
109.02884	0.7
114.76795	0.5
115.05458	1.7
117.07017	0.8
119.04917	1.1
119.08636	0.8
121.06506	17.2
123.04427	5.2
124.05221	2.1
125.05921	0.5
127.03885	0.9
129.07019	1.1
131.04944	5.8
131.08536	0.7
133.06497	4.1
135.08095	1.4
137.05975	3.6
138.09149	4.7
141.06976	1.3
143.08542	0.8
144.05649	0.7
145.06505	2.6
145.10185	0.5
147.04402	1.3
149.05965	1.2
151.03926	1.5
151.07594	3.3
152.04662	1.7
153.05513	0.7
154.05037	0.6
157.06436	0.6
158.07242	0.8
159.08034	1.4
161.06015	5.5
163.03902	1.3
163.07555	10.9
165.05510	0.5
167.07047	100.0
169.06453	0.5
173.05946	1.5
173.09683	1.5
175.07542	2.0
177.05539	0.9
177.09135	2.6
178.06332	0.6
179.06993	2.7
180.08662	0.6
181.08600	3.8
187.07520	3.1
189.09154	0.7
191.06973	0.8
192.07791	0.8
193.08620	15.0
195.08231	0.6
201.09138	1.6
205.08566	1.4
207.10185	1.1
215.10669	0.9
217.08572	0.8
219.10217	3.1
231.07974	0.5
233.11685	2.2
237.11098	2.4
241.08609	2.0
243.10274	2.3
244.06720	0.4
249.11205	1.3
250.11630	1.3
251.12636	2.0
263.10785	0.8
291.10162	0.7
320.16501	0.5
323.12863	2.1
355.15402	13.8
355.19830	0.7
387.18079	12.6
396.23697	0.7
405.19092	29.7
422.25537	2.5
423.20169	0.9
584.30731	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	602.2814
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02349	0.3
53.03944	0.7
55.01868	0.5
55.05500	0.3
57.03427	0.3
64.02944	0.2
66.24940	0.2
66.30617	0.2
67.05518	0.3
69.03426	0.5
70.06583	0.7
70.79295	0.4
72.08179	0.3
78.04712	1.8
79.05080	0.2
79.05505	2.8
80.88949	0.2
81.03406	0.6
81.07041	0.8
85.02911	1.9
87.00809	0.6
91.05494	2.3
93.07053	0.7
94.04215	0.2
95.04961	0.8
95.08566	0.4
97.02905	1.2
98.97608	0.3
101.84896	0.3
101.85563	0.3
103.05470	3.6
105.01860	0.6
105.04544	0.3
105.07035	4.5
106.04150	1.2
107.04961	6.9
107.08595	0.4
109.02876	0.7
109.06475	0.3
111.04445	0.5
115.05444	1.5
117.07025	1.1
119.04937	0.6
119.08558	0.2
121.02879	0.3
121.06518	4.8
122.03600	0.2
123.04430	5.4
123.08056	0.7
124.05231	2.4
127.03921	1.1
128.07063	0.8
129.07002	1.0
131.04932	5.7
131.08575	1.0
133.06508	4.8
134.03648	0.5
135.04420	0.5
135.08089	1.3
136.06126	0.3
136.07593	0.3
137.05991	2.5
138.09151	1.3
139.07521	0.4
141.07021	0.8
143.04997	0.4
143.06001	0.5
143.08539	0.4
144.05713	0.9
145.04926	0.4
145.06490	2.9
145.10135	0.6
147.04436	2.0
147.08015	0.4
149.05974	0.7
151.03954	1.3
151.07545	2.9
152.04704	2.0
153.05447	0.7
157.06531	0.3
158.07333	1.0
159.02991	0.4
159.08047	1.3
160.05202	0.4
161.05991	6.1
163.03923	1.3
163.07549	12.0
165.09157	0.4
167.07047	100.0
168.07454	0.7
169.06502	0.4
170.26488	0.2
172.05191	0.5
173.05983	1.6
173.09622	1.8
175.07526	1.8
177.05547	0.3
177.09102	2.1
178.06279	0.4
179.07034	3.1
181.08611	3.5
186.06827	0.3
187.07565	2.8
189.09116	0.6
191.03464	0.3
191.07060	0.4
192.07808	0.7
193.08611	15.0
193.31036	0.3
201.09035	1.9
203.08624	0.4
205.08603	1.0
206.09435	0.3
207.10193	0.7
211.14880	0.3
213.09103	0.4
215.10602	0.4
217.08652	0.7
218.09384	0.2
219.10158	2.1
221.11679	0.4
231.08057	0.6
233.11705	2.6
235.11462	0.3
237.11252	2.7
241.08603	1.1
243.10223	0.7
245.09558	0.3
248.08249	0.6
251.12845	2.0
255.21271	0.4
259.07501	0.3
263.10754	0.7
283.20615	1.4
291.10260	0.5
295.13321	0.8
301.21625	0.8
305.11722	0.4
319.22571	0.8
323.12747	2.0
355.15424	12.0
372.15515	0.3
378.39529	0.3
387.13040	0.6
387.18042	12.0
405.19095	28.3
423.20123	0.9
469.19678	0.3
623.93774	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	602.2601
Annotation	Unknow
Peak:m/z	Relative Intensity
50.76018	0.3
51.02390	0.4
53.03939	0.5
55.01873	0.4
55.05508	0.5
57.63860	0.3
64.12791	0.3
65.03939	0.6
67.05499	0.9
69.03445	0.5
69.19927	1.1
69.20352	1.3
70.06573	0.7
72.08145	0.3
81.07037	0.3
82.06580	0.4
83.04985	2.4
84.08158	0.4
85.02918	1.0
91.05486	4.0
93.03423	0.5
93.06486	0.4
93.07056	5.1
94.83710	0.3
95.04971	1.2
97.02918	1.4
97.03442	0.3
101.77554	0.3
103.05469	3.4
105.04558	0.5
109.07430	0.3
111.04448	1.4
117.07021	0.4
121.06514	100.0
123.04467	0.3
128.07054	0.7
129.07008	1.2
131.08517	0.8
135.73218	0.3
138.09149	46.5
139.03856	0.5
141.06998	0.8
144.05669	0.3
145.02789	0.4
147.04396	0.4
152.06197	1.0
153.06982	0.8
154.07721	0.5
154.12209	0.5
155.08502	0.3
157.06512	0.9
157.10176	0.9
159.04465	0.4
159.08072	0.8
159.11673	0.5
161.05995	0.3
161.45229	0.3
163.03952	1.6
165.07031	0.6
167.08537	3.4
168.05717	0.5
169.06477	1.3
169.10121	2.0
170.07262	0.5
171.07939	0.5
173.05971	1.2
175.07489	0.4
178.76810	0.3
179.08519	0.6
180.05721	0.7
181.06462	2.5
183.04431	0.3
183.07996	0.4
184.05188	0.5
185.05972	1.2
185.09589	1.1
186.06743	2.4
187.03975	1.6
187.07567	3.1
189.05562	0.5
195.08099	5.6
197.05997	2.8
197.09636	3.0
198.06747	1.3
199.07506	1.3
199.11270	0.3
201.05505	1.4
201.09137	0.9
212.04747	0.8
213.05544	2.4
213.09088	5.0
214.06264	0.7
215.07317	0.6
215.10677	8.7
217.12204	0.4
223.07587	2.7
225.09103	2.5
226.06290	0.9
241.08612	31.6
243.10190	25.8
249.11240	1.1
250.11513	0.6
251.11711	0.6
259.09656	1.0
261.11237	3.6
273.11157	1.0
314.16144	0.3
332.17133	1.5
435.16409	1.1
602.26300	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	602.1871
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.8
55.01871	0.9
55.05501	0.4
58.99596	0.3
65.03946	1.2
67.05496	1.4
68.05882	0.3
69.03429	1.7
69.07054	0.6
70.06585	0.6
70.81527	0.3
71.04961	0.4
71.52859	0.5
76.02225	1.3
79.05504	1.0
81.03423	8.7
81.07050	1.3
83.04987	0.5
84.04503	1.0
85.02901	2.5
86.09715	0.6
87.00822	0.8
91.05484	2.8
93.07038	1.5
95.04948	2.3
95.08607	1.1
95.76735	0.4
97.02898	1.9
97.06519	0.5
99.04444	0.8
103.03927	0.4
103.05458	1.3
105.07040	3.2
107.04959	15.8
107.08612	0.7
109.02882	37.3
109.10195	0.8
111.03194	0.8
111.04457	0.5
112.03967	100.0
115.05446	0.9
117.07032	5.4
119.04942	4.2
119.08589	0.5
121.03991	0.8
121.06535	1.0
121.10157	0.4
123.04401	0.4
127.03903	2.9
128.06187	2.0
129.07004	1.2
130.04991	0.4
131.04955	0.9
131.08589	0.9
133.06470	2.7
133.10172	0.4
134.07283	5.4
135.08052	21.3
135.11691	0.5
137.05925	0.4
137.16959	0.4
138.57765	0.4
139.03802	0.3
145.05009	0.9
145.06480	4.3
147.11642	0.3
149.05969	0.6
150.09923	0.4
152.07069	15.4
152.08305	0.8
155.06049	1.1
157.06500	4.5
159.02890	0.6
163.03894	0.7
163.11247	0.4
164.01782	0.4
173.05984	14.4
179.04810	1.1
184.07362	1.6
186.06693	0.4
201.05469	24.9
202.06360	0.4
215.07089	0.6
231.04930	0.7
241.08630	0.3
243.10175	28.7
244.10579	0.4
275.19986	0.5
301.21613	0.4
308.09192	0.4
336.51962	0.3
354.13358	63.9
584.29541	0.5
601.30780	0.6
602.18188	2.5
602.30231	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.4289
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	6.7
55.01859	4.0
55.05513	16.3
57.03426	4.2
57.07077	24.1
59.05001	3.3
65.03925	2.0
67.05173	3.1
67.05508	30.8
69.03441	10.3
69.07071	20.4
69.21443	2.9
69.21844	14.3
71.04980	3.5
71.08634	15.2
79.05493	22.7
81.03422	55.6
81.07060	38.2
83.04973	12.1
83.08618	16.3
85.06533	3.9
85.10177	6.1
87.04456	4.4
89.06055	5.2
91.05485	45.3
93.06483	2.7
93.07050	48.3
95.01324	2.6
95.04967	16.9
95.08611	36.9
97.06522	7.2
97.10176	5.3
103.05471	7.5
105.04556	2.7
105.07037	60.6
107.04978	9.3
107.08598	46.2
109.06544	9.3
109.10169	23.2
111.04430	2.0
111.08080	2.8
113.09641	3.6
115.05444	11.4
117.07016	15.4
119.04926	2.0
119.08592	52.6
121.06530	8.1
121.10149	48.9
121.11015	1.9
123.08096	9.5
123.11706	8.1
125.09637	8.1
128.06229	8.3
129.07002	12.9
130.07799	6.0
131.04941	6.6
131.08582	28.6
133.06517	11.7
133.10141	38.5
135.08075	13.0
135.11699	13.2
137.05916	1.9
137.09622	8.3
139.11212	5.4
141.07001	6.5
142.07771	13.3
143.08565	22.9
144.09335	6.3
145.06453	4.5
145.10138	36.0
147.04439	3.4
147.08046	9.0
147.11700	13.6
149.09613	12.6
149.13235	2.6
151.07512	3.2
151.11234	2.9
153.07030	3.2
154.07799	2.2
155.08606	12.7
155.10649	3.5
156.09364	8.3
157.06503	2.1
157.10138	32.1
158.10930	3.9
159.04402	4.9
159.08098	7.7
159.11700	22.3
160.05200	15.7
161.05984	25.4
161.09668	13.8
161.13277	4.1
163.11203	6.7
163.14937	2.2
165.07024	3.2
165.09111	7.0
167.08549	5.0
167.10677	36.2
169.10147	15.5
170.10904	4.8
171.08145	2.9
171.11696	23.0
172.12286	1.8
173.05978	20.9
173.09653	4.4
173.13283	12.4
175.11172	8.3
175.14876	9.2
177.12814	2.3
179.08598	7.0
180.09364	3.4
181.10147	8.1
181.12335	3.4
182.10953	5.3
183.11700	14.6
185.09613	3.8
185.13229	9.5
186.06804	2.2
187.07585	7.7
187.11134	3.9
187.14851	7.3
189.09122	3.8
189.12816	3.9
191.14301	3.8
193.10146	5.8
194.10925	5.7
195.11707	15.0
196.12489	5.2
197.13266	14.7
198.14056	2.5
199.11111	3.0
199.14819	6.7
200.15192	1.9
201.12755	3.2
201.16423	3.8
203.10762	6.0
203.14413	3.2
207.11743	8.1
207.13655	1.9
209.13287	12.8
210.14003	3.1
211.11292	3.1
211.14896	10.0
213.12616	2.0
213.16455	2.7
215.14374	4.6
217.15938	2.7
219.11647	4.0
220.12598	2.7
221.13379	4.1
221.15411	14.9
222.13914	2.5
223.14880	6.7
225.12738	2.4
225.16461	5.1
227.14462	2.3
231.11736	3.7
233.13213	4.3
233.15305	18.0
235.14825	6.6
237.16389	5.9
243.13879	5.8
247.14874	4.3
249.16444	3.6
251.17958	5.2
255.17470	3.0
257.18951	3.3
259.14740	2.2
260.15460	1.9
261.16486	3.4
263.17871	3.3
264.18204	2.1
265.19556	3.3
269.18991	5.5
271.13281	34.7
273.18579	5.3
275.17581	2.6
275.20126	5.1
281.18958	2.3
283.20724	2.5
285.18732	3.8
287.20282	2.2
289.14346	11.2
291.19540	10.2
293.21173	2.3
299.20175	3.6
313.27335	20.6
323.23712	2.0
345.17102	11.1
367.26846	2.1
491.35550	3.3
565.40051	3.5
583.41376	8.4
601.41138	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	601.4276
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	7.1
56.06284	3.1
57.03448	4.5
57.07080	100.0
58.04204	9.9
59.05012	28.7
64.57637	2.6
67.05484	11.1
69.07059	9.3
71.04983	4.9
71.08636	70.5
72.05777	15.4
73.02915	11.8
73.06548	16.8
79.05476	7.2
81.03409	8.9
81.07043	15.5
83.08613	8.4
83.42126	3.3
85.10186	68.8
87.04475	22.5
89.06036	21.7
90.01923	41.7
91.05482	10.4
93.07042	5.4
95.04965	3.6
95.08605	13.6
97.06556	3.3
97.10175	3.9
99.11725	8.4
101.06004	4.1
103.07571	11.9
105.07024	10.3
107.08578	8.7
109.06489	3.3
109.10157	5.8
113.13337	3.5
116.08387	4.9
117.07001	3.8
117.09105	12.4
119.08589	7.3
121.10149	5.5
121.15514	2.7
121.60379	3.1
131.07048	3.6
131.08516	3.4
133.08585	14.9
133.10115	5.7
135.10156	3.2
141.16376	5.2
143.93761	3.1
155.17896	6.0
157.10136	4.5
159.10196	3.6
159.11600	4.0
161.05975	3.2
165.09111	4.1
173.05988	3.7
173.09584	5.1
177.11234	7.8
178.07140	4.1
183.17352	5.2
206.27068	2.9
206.48625	3.2
212.21347	4.4
213.22166	7.5
221.15331	3.9
222.09761	10.3
222.17053	3.9
252.18011	3.3
257.24707	3.4
266.12344	4.7
266.19693	6.7
271.13361	5.4
271.16504	4.2
291.19452	4.3
296.20670	7.7
312.20480	4.0
313.27347	6.3
315.18896	3.8
324.23706	3.7
339.23068	3.0
341.30673	7.1
362.32480	7.4
372.18497	11.5
384.69177	2.8
418.80261	3.2
450.37820	19.5
510.39902	4.2
570.24329	3.3
601.42926	24.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.4254
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02374	3.3
53.03942	7.3
55.01864	3.3
55.05509	25.9
57.07076	14.1
62.73226	2.0
65.03938	7.3
67.05507	34.4
68.64455	2.1
69.03434	14.5
69.07072	29.1
69.64683	6.9
69.65097	6.0
71.05000	5.9
71.08658	4.0
71.88869	1.9
79.05070	4.0
79.05501	45.5
81.03405	10.0
81.07063	48.2
82.83633	2.1
83.04983	21.5
83.08628	18.1
85.06523	7.1
85.10171	3.7
87.04462	6.9
89.06017	7.4
91.04915	3.5
91.05485	69.7
93.07046	81.0
95.04984	20.3
95.08066	3.6
95.08614	48.5
97.06524	16.4
103.05468	7.3
104.10732	2.2
105.07034	97.4
107.04955	6.5
107.08601	79.1
107.56339	2.1
109.06510	16.5
109.07138	2.6
109.10172	35.4
111.08099	6.1
111.11713	3.1
113.09606	4.4
114.45915	2.1
115.05457	7.7
116.06269	3.3
117.07026	23.1
119.06066	3.0
119.08588	100.0
121.06530	13.7
121.10153	88.0
123.08067	15.9
123.11716	10.6
125.05999	2.6
125.09626	15.5
128.06235	11.7
129.07002	22.8
130.07854	10.1
131.08580	43.4
133.06499	6.0
133.08551	5.3
133.10129	60.0
135.08076	15.2
135.11691	26.9
137.09608	12.1
137.13240	2.9
139.11188	7.6
141.06970	11.5
142.07803	21.7
143.08565	39.9
144.09384	11.9
144.63719	2.4
145.06474	5.3
145.10129	72.8
146.10568	3.0
147.08063	12.7
147.11694	27.0
149.09633	25.6
149.13261	6.0
151.07480	4.1
151.11201	5.8
153.07021	3.6
154.07748	4.4
155.08594	18.4
155.10612	5.6
156.09380	18.6
157.10133	62.0
158.10764	7.0
159.04436	2.4
159.08064	18.0
159.11700	45.3
161.06021	6.3
161.09628	15.5
161.13252	9.6
163.11198	10.5
163.14925	2.1
165.06976	7.4
165.09116	9.8
167.08641	10.4
167.10690	74.3
167.12114	4.0
168.09325	9.7
169.10135	30.7
170.10854	9.9
171.11685	34.4
173.06052	3.0
173.09627	8.4
173.13286	29.3
174.13704	2.3
175.11179	12.0
175.14825	19.9
179.08562	11.6
180.09285	5.3
181.10129	20.4
181.12210	7.1
182.10896	12.2
183.11693	26.7
184.12277	5.0
185.09662	5.9
185.13275	22.2
186.13960	3.4
187.11217	6.6
187.14816	10.8
189.12775	6.0
191.14276	7.3
192.09320	4.1
193.10149	14.9
193.11765	2.5
194.10864	8.4
195.11711	20.8
196.12476	7.9
197.13271	25.6
199.11272	3.9
199.14799	12.0
201.12730	5.9
201.16435	5.5
203.14296	6.0
205.10107	3.3
205.15854	3.3
206.10921	5.6
207.11758	17.6
207.13635	3.9
208.12415	7.5
209.13290	24.6
209.15176	4.4
210.13939	2.9
211.11195	4.2
211.14787	17.4
212.15244	2.7
213.12686	6.2
213.16333	7.3
213.18428	2.1
215.14308	8.0
217.10107	3.8
217.15807	5.7
219.11681	5.5
220.12373	3.6
221.13254	16.3
221.15376	16.9
222.13870	3.6
223.14786	16.9
224.15425	2.5
225.12740	4.8
225.16351	5.1
227.14285	5.4
231.17497	3.6
232.12503	5.3
233.13214	7.0
233.15395	29.1
234.14006	4.5
234.16132	3.2
235.14809	8.6
237.12646	3.8
237.16435	7.0
239.14258	2.3
239.18028	6.1
241.15837	4.9
243.13799	3.4
245.13274	4.5
247.14749	5.2
247.17091	4.5
249.16357	9.9
250.17001	2.5
251.17981	8.1
253.19519	3.5
255.17438	6.2
257.18958	5.5
259.14832	4.1
260.15497	2.8
261.16287	6.6
263.17920	3.2
264.18478	2.7
265.19510	7.8
269.19000	11.1
271.13284	4.1
271.20538	3.0
273.18665	3.9
275.17618	4.9
275.20331	3.7
277.19537	5.4
281.19040	5.1
283.20566	5.8
283.62939	2.8
285.18573	3.1
287.20364	2.9
289.14392	2.3
289.19495	4.3
295.20627	2.8
299.20181	4.5
301.21674	3.0
307.37845	2.2
311.20206	3.1
313.27301	5.0
331.24319	3.2
333.22012	2.5
343.24268	2.7
347.23587	2.8
349.25226	4.6
361.25644	3.3
365.24545	3.7
375.26477	2.4
491.34875	3.0
565.40094	9.9
583.41559	12.3
601.26514	5.0
601.41833	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	601.4255
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02387	3.3
53.03943	5.5
55.01881	2.9
55.05510	21.8
57.03436	2.6
57.07079	37.9
58.07401	3.5
59.05003	7.1
65.03930	3.7
67.05505	31.9
67.75957	2.1
69.03433	12.1
69.07066	24.3
71.04984	4.0
71.08644	17.8
75.85276	2.9
77.03934	3.1
79.05499	35.1
81.03422	10.0
81.07059	50.4
83.04982	20.1
83.08624	11.1
85.06552	5.0
85.10195	12.2
86.10549	3.7
87.04486	4.2
89.06041	30.9
90.06394	4.2
91.05480	62.2
93.07044	75.8
95.04953	22.2
95.08607	36.5
97.05997	2.3
97.06539	16.7
99.08086	3.6
99.11751	2.6
103.05486	5.5
105.07039	98.9
106.80878	2.5
107.04965	6.7
107.08600	68.0
109.06515	14.9
109.10160	34.5
111.04484	2.5
111.08071	4.3
111.11764	2.9
113.09643	5.9
115.05465	7.6
117.07025	17.9
119.08582	95.4
121.06522	10.9
121.10150	100.0
123.08095	15.8
123.11704	12.9
125.09668	16.1
128.06241	13.5
129.07010	20.6
130.07808	11.7
131.08574	41.5
133.06543	4.7
133.07732	3.9
133.08618	21.3
133.10127	65.4
134.08917	3.9
134.10483	4.2
135.08043	14.8
135.11679	24.6
137.09624	8.1
139.11172	6.0
141.07007	7.1
142.07793	19.8
143.08554	39.1
144.09354	10.6
145.06467	4.5
145.10127	63.4
146.07286	5.7
147.08047	9.4
147.11676	23.1
149.09639	21.0
149.13205	6.3
151.11148	2.9
153.07004	5.1
155.08566	18.5
155.10681	7.4
156.09360	16.6
157.10149	54.1
158.10866	7.6
159.08073	14.5
159.11703	36.8
161.09622	14.6
161.13272	9.2
163.11215	11.3
165.06961	5.9
165.09167	7.4
167.08501	7.1
167.09215	3.5
167.10680	72.2
168.09331	7.5
169.10130	31.3
170.10863	7.8
171.11690	30.5
172.12384	2.9
173.09705	7.2
173.13260	26.8
175.11198	8.0
175.14835	16.7
177.11273	9.7
178.11581	3.6
179.08592	9.0
180.09343	4.7
181.10100	14.5
181.12270	7.6
182.10907	8.0
183.11705	26.0
184.12331	4.2
185.09618	5.3
185.13266	20.0
186.14012	2.7
187.11172	9.3
187.14856	9.4
189.12782	9.0
191.08655	3.0
191.14319	7.1
192.09401	4.0
193.10176	9.4
194.10980	7.0
195.11685	26.1
196.12462	5.0
197.13264	20.3
199.11310	2.7
199.14838	12.8
201.12796	6.1
201.16347	6.7
203.14380	7.9
205.15973	2.8
206.10912	7.6
207.11742	15.8
207.13541	3.5
208.12543	6.3
209.13301	22.9
210.14040	3.0
211.11259	3.6
211.14844	15.6
213.12743	5.8
213.16434	6.0
215.14279	5.3
217.15828	7.3
219.11700	5.7
220.12625	2.9
221.13257	11.6
221.15411	23.8
222.13968	6.0
223.14801	17.0
225.16409	9.9
227.14343	8.2
229.16042	2.9
231.11699	4.6
233.13234	6.9
233.15404	28.8
234.16058	3.5
235.14851	10.6
237.16444	9.7
239.17914	4.2
245.13260	3.6
246.13950	3.6
247.14874	7.4
248.15474	3.4
249.16422	5.0
250.17136	2.7
251.18045	7.4
253.15868	2.8
255.17438	5.8
257.18954	5.4
259.14746	6.7
259.17267	3.1
259.20599	2.9
261.16382	7.0
262.16928	2.7
263.17975	6.7
265.19507	9.2
269.18954	12.1
273.18488	7.8
275.17599	3.1
275.20224	5.7
277.19540	5.3
281.19183	5.4
283.20572	6.3
285.18698	3.6
287.20218	3.1
289.19452	4.0
291.19598	5.6
295.20535	4.1
299.20300	3.7
301.21906	3.3
313.19287	2.8
315.20972	2.9
349.25143	4.7
361.25323	4.1
371.22763	4.5
373.25241	3.1
417.27954	2.8
491.35049	4.6
565.39929	5.4
583.41754	13.5
584.44727	3.6
600.52374	2.7
601.42041	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	601.4252
Annotation	Unknow
Peak:m/z	Relative Intensity
52.57482	0.9
53.03940	3.9
55.01871	1.5
55.05305	0.9
55.05515	9.7
55.79939	0.9
57.03431	1.1
57.07080	6.5
59.04995	2.7
65.03947	2.2
67.05508	17.9
69.03426	9.6
69.07076	13.5
70.06249	1.3
70.06596	12.9
71.05003	1.1
71.06921	1.6
71.08614	2.2
71.52367	1.1
77.03918	1.8
79.05496	21.9
80.05804	1.6
81.03412	4.5
81.06586	1.8
81.07055	25.5
83.04983	10.6
83.08619	6.7
85.06537	3.6
87.04452	2.0
89.06059	5.1
91.05480	36.3
92.05818	1.2
93.07044	43.2
94.07388	1.5
95.04959	12.5
95.07989	1.1
95.08606	23.3
97.06525	6.9
97.10162	1.3
99.08115	1.3
103.05482	5.4
105.04530	2.4
105.07033	100.0
106.07343	12.4
107.04959	3.5
107.08597	38.6
108.08905	1.4
109.06520	10.0
109.09480	1.2
109.10166	15.5
111.08092	2.7
111.11757	1.2
113.09643	2.9
115.05503	4.8
115.83279	0.9
116.06316	1.6
116.07092	17.4
117.06957	11.8
119.04987	1.1
119.08585	51.2
120.08921	2.8
121.06515	11.8
121.10143	36.6
122.06782	1.4
122.10480	1.8
123.08052	9.8
123.11726	4.1
125.05974	2.9
125.09630	6.6
128.06206	6.7
129.07014	12.0
130.07855	4.2
131.04883	1.0
131.08571	24.8
132.08920	1.0
132.09413	0.8
133.06516	2.8
133.08629	1.7
133.10130	32.5
134.10464	2.0
135.08064	12.3
135.11703	10.5
136.08389	1.2
137.09641	7.7
139.11189	2.0
141.06992	4.8
142.07799	13.8
143.08577	26.0
144.09381	6.1
145.10129	38.5
146.07271	1.0
146.10474	2.2
147.08061	14.2
147.09218	1.4
147.11676	12.8
149.09618	11.8
149.13278	2.0
151.07530	6.5
151.11189	2.0
152.07838	1.2
153.07033	2.1
153.09111	1.3
155.08556	8.8
155.10562	1.6
156.09343	9.2
157.10138	29.7
158.10915	5.4
159.08066	8.4
159.11696	23.0
160.12244	1.2
161.06030	1.9
161.09610	9.0
161.13245	4.7
163.11200	8.2
165.06976	3.6
165.09120	19.9
166.07787	1.7
166.09418	2.0
167.08589	5.0
167.10674	21.9
168.09322	3.8
168.10828	1.4
169.10127	14.4
170.10876	5.2
171.11687	18.9
172.12306	1.8
173.06010	1.2
173.09665	3.0
173.13254	13.0
175.11194	6.2
175.14850	7.1
176.11534	1.5
177.09160	1.2
177.11205	0.9
177.12735	2.9
178.07706	1.3
179.08551	6.3
180.09308	4.0
181.10141	8.9
181.12189	6.3
182.10925	5.7
183.11711	13.1
184.12335	3.1
185.09607	2.6
185.13284	10.1
186.13800	1.6
187.11212	3.9
187.14822	4.1
188.11897	1.0
189.12817	4.5
190.13358	1.5
191.08652	1.3
191.10460	1.0
191.14334	4.1
192.09363	2.5
193.10138	7.9
193.12100	1.8
194.10875	5.8
195.11694	12.7
195.13507	1.5
196.12270	4.5
197.09666	1.8
197.13239	14.1
199.11165	2.2
199.14838	6.8
200.11774	1.1
201.12764	2.0
201.16446	1.7
203.08643	1.0
203.10635	1.7
203.14310	8.5
204.14708	2.0
206.10847	3.1
207.11705	7.7
207.13809	4.0
208.12471	5.0
208.14220	1.2
209.13266	14.2
209.15175	1.9
210.13855	3.3
211.11263	1.9
211.14813	7.7
213.12787	2.7
213.16447	3.7
215.14264	2.8
217.10065	1.8
217.15877	3.4
218.10884	1.3
219.11668	3.6
219.13757	1.5
219.17368	2.0
220.12434	2.1
221.13223	6.8
221.15404	29.9
222.13855	2.1
222.15811	3.1
223.14819	6.4
225.12762	2.9
225.16373	3.8
226.13208	1.4
227.14354	2.3
229.15778	1.8
231.11766	2.1
232.12312	2.1
233.13193	3.7
233.15399	11.8
234.13812	1.1
234.15883	1.9
235.14761	5.3
235.16798	1.5
236.15408	1.3
237.12761	1.3
237.14781	3.1
237.16489	2.9
239.14354	2.1
239.17976	2.4
243.13846	1.4
244.12410	1.6
245.13252	2.6
245.15523	1.0
246.13963	2.0
247.14815	3.2
247.17047	2.1
249.16432	3.9
251.14194	1.6
251.17982	3.1
253.15829	1.4
253.19505	1.1
255.17461	3.6
256.17749	1.6
257.18924	2.0
259.14746	1.5
259.17108	1.4
261.16403	3.1
262.16711	1.6
263.17920	2.6
265.19525	3.3
267.17499	1.7
269.19104	4.2
271.15475	9.3
271.20224	1.4
272.15601	6.6
273.16193	1.9
273.18796	1.9
275.17517	1.5
275.20129	3.2
277.19382	1.5
281.18973	1.7
283.20648	4.0
285.18591	1.4
286.19260	2.0
287.19965	3.4
289.19354	1.4
291.19702	1.5
294.19666	1.2
295.20599	3.0
299.20023	2.8
300.20850	1.2
301.21808	2.0
303.19681	3.5
304.19815	4.1
307.20184	1.3
312.21024	1.1
313.21707	1.9
313.27390	2.0
325.21478	1.3
326.22229	1.1
331.24277	2.7
341.22516	1.0
349.25220	2.9
352.23959	6.3
353.24420	7.5
365.24786	2.0
366.25455	1.7
367.26257	2.4
375.21640	6.6
375.26837	2.6
376.21857	7.6
378.24994	1.0
414.78741	1.1
480.27902	1.0
491.35010	2.5
503.34848	3.6
508.35452	1.4
509.35214	1.3
520.35352	1.4
521.35883	6.3
547.39471	1.1
565.40381	4.2
583.41809	6.6
601.41895	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	601.4246
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	6.3
54.16710	2.0
55.01875	2.2
55.05513	20.2
57.07070	8.0
65.03934	3.6
67.05173	3.1
67.05507	32.6
69.03435	12.4
69.07071	24.5
69.21725	18.2
71.05003	3.3
73.01076	1.7
74.96651	2.0
77.03916	1.9
79.05499	34.6
81.07067	43.5
83.04974	20.1
83.08618	17.6
85.06541	8.1
87.04450	3.3
91.05485	60.6
93.07050	77.7
94.07372	2.5
95.04984	25.5
95.08614	36.3
97.06532	13.7
97.10177	2.7
103.05481	4.4
105.07036	100.0
106.07352	3.5
107.04933	2.5
107.08598	80.6
109.06538	11.9
109.10160	31.1
110.22827	2.0
111.08097	6.2
111.11685	2.4
113.09643	4.2
115.05451	6.1
116.06268	4.3
117.07024	22.5
119.05042	2.1
119.08591	87.3
120.08878	2.7
121.06527	10.6
121.10149	78.9
123.08065	14.2
123.11707	9.9
124.08402	1.8
125.09624	14.9
128.06216	14.1
129.07021	16.9
130.07822	7.7
131.08574	42.0
132.09370	1.9
133.06548	5.7
133.10135	67.2
135.08058	13.3
135.11717	18.0
137.09644	8.3
139.11214	7.2
141.06985	10.0
142.07803	26.1
143.08572	41.6
143.09700	2.7
144.09367	10.9
145.06473	4.1
145.10126	72.1
147.08073	11.1
147.11681	25.1
149.09631	19.6
149.13261	5.4
151.07549	6.2
151.11174	3.4
153.06969	4.5
154.07785	3.7
155.08545	18.5
155.10663	7.9
156.09380	18.9
157.10136	56.0
158.10779	8.1
159.08096	13.5
159.11694	40.7
160.08832	2.4
161.09639	14.5
161.13271	8.3
161.56718	2.0
163.11197	8.2
165.07060	6.7
165.09152	9.2
166.07745	1.9
167.08612	11.2
167.10687	64.8
168.09337	7.8
169.10149	27.6
170.10895	7.0
171.08170	2.5
171.11681	32.8
172.12424	4.3
173.09625	6.8
173.13269	22.3
175.11220	12.8
175.14799	12.3
177.12762	3.5
179.08574	8.3
180.09367	3.7
181.10107	17.6
181.12260	6.7
182.10895	11.2
183.11714	25.5
184.12442	4.9
185.09584	4.6
185.13228	17.3
187.11179	8.3
187.14879	10.4
189.12794	9.3
189.16405	3.1
191.14317	7.1
192.09387	4.4
193.10132	16.3
193.11838	2.1
194.10919	10.4
195.11659	20.8
196.12457	9.9
197.13255	29.0
199.11095	4.6
199.14830	15.3
201.12700	4.7
201.16426	7.2
203.14377	7.7
205.10168	3.8
205.15878	2.4
206.10976	7.1
207.11693	15.7
207.13622	4.1
208.12418	8.0
208.14307	2.1
209.13298	23.5
210.13934	4.7
211.11302	4.4
211.14842	17.7
212.15633	3.2
213.12753	6.0
213.16415	6.4
215.14380	5.5
217.10217	3.0
217.15961	6.7
218.11006	2.9
219.11632	5.2
220.12495	5.7
221.13246	12.4
221.15416	19.0
222.13989	3.4
223.11287	2.7
223.14821	17.9
224.15567	2.6
225.16411	8.4
227.14362	5.2
231.11667	2.5
231.17575	2.6
233.13217	10.7
233.15410	37.0
234.13991	2.8
234.16054	2.9
234.73372	2.1
235.14769	11.6
235.16940	2.7
236.15460	3.3
237.12799	2.7
237.16364	7.8
239.14218	3.4
239.17960	3.7
241.15984	2.5
243.11711	2.8
245.13275	6.9
246.13838	2.4
247.14876	6.9
248.15605	2.5
249.16386	10.4
251.17981	5.7
253.19519	2.9
255.17409	6.8
256.17984	2.2
257.19107	2.9
258.14038	2.6
259.14819	3.8
260.15778	2.5
261.16388	7.9
263.17935	4.8
265.19638	7.3
268.18134	2.7
269.19058	8.4
271.20526	4.6
273.16241	4.4
275.17853	5.2
277.19458	4.1
279.17407	2.5
279.21127	2.5
281.18900	4.1
283.20581	5.8
285.18625	5.4
287.20261	3.0
289.19464	3.1
295.20535	3.6
297.22137	3.1
299.20227	3.2
301.21680	3.3
303.20996	2.2
307.20566	2.7
311.20135	3.8
312.71207	2.4
317.22748	2.9
329.22534	2.5
335.23746	2.1
349.25308	4.0
361.25421	2.5
367.26144	3.5
373.25168	2.7
547.39545	2.2
565.40155	6.6
583.41583	9.9
601.42432	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	601.425
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	14.8
55.01869	6.1
55.05517	27.4
57.03448	8.3
57.07082	49.9
59.04995	10.3
67.05508	38.3
69.03437	11.5
69.07063	22.1
71.08635	27.4
71.53816	8.8
73.63993	5.6
77.79872	4.8
79.05506	37.5
81.03426	64.0
81.07065	46.4
83.04988	17.0
83.08623	9.1
85.10178	23.4
87.04479	8.3
89.06036	12.7
91.05480	66.5
93.07052	69.1
95.04967	19.7
95.08624	57.1
97.06535	6.5
97.10168	5.6
103.07626	6.4
105.07029	87.8
107.04939	12.5
107.08598	56.3
109.06547	15.2
109.10154	25.5
112.38523	5.6
115.05475	17.8
117.07030	22.4
119.04948	5.6
119.08581	81.0
120.08869	7.3
121.06545	13.7
121.10136	43.4
123.08074	19.3
123.11718	10.0
125.09649	7.5
128.06201	12.1
129.07011	17.5
131.08600	36.1
131.80168	5.3
133.06496	12.5
133.10139	44.2
135.08061	26.4
135.11696	17.6
137.09627	16.1
142.07793	14.6
143.08562	34.2
144.09196	8.3
145.06468	8.8
145.10127	61.9
147.04390	8.2
147.08058	20.6
147.11705	15.2
149.09654	13.4
151.07545	8.9
151.11255	7.1
155.08583	12.4
156.09303	19.3
157.10139	51.1
159.04317	7.3
159.08163	14.9
159.11699	24.9
160.05247	5.2
161.05974	18.4
161.09619	22.9
161.13245	6.3
163.11154	8.7
165.09123	27.5
167.08542	8.6
167.10712	35.0
169.10201	27.7
170.10695	9.2
171.08076	7.2
171.11676	23.1
172.12152	7.1
173.06027	11.9
173.09680	7.0
173.13196	14.9
175.11194	11.6
175.14806	8.2
179.08675	7.5
181.10123	10.0
181.12248	12.9
182.10776	10.2
183.11697	15.2
185.13235	16.1
187.07462	10.4
189.12791	7.5
191.14345	10.4
193.10216	12.4
195.11736	13.5
196.12407	7.4
197.13304	21.0
199.14674	8.0
201.12708	7.9
203.10635	7.6
203.14394	15.3
207.11766	7.8
209.13228	16.3
210.13701	7.9
211.14819	12.6
213.12738	9.7
221.13326	12.4
221.15337	59.2
223.14879	5.8
229.15923	6.1
232.12270	6.3
233.15492	21.9
234.16034	7.2
235.14755	12.4
237.14748	7.3
271.13235	26.6
271.16907	11.2
273.18491	9.4
275.20135	10.0
280.96738	5.8
286.19370	6.2
287.19992	12.7
289.14426	10.6
303.19577	11.0
304.20044	11.9
313.27399	23.9
341.30368	11.3
345.16928	11.6
352.24033	10.8
353.24362	19.6
417.91489	6.0
451.29962	5.7
520.35468	6.6
521.35773	18.6
583.41040	16.1
601.41425	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	601.4238
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	1.8
55.01862	2.0
55.05513	9.0
57.07080	10.6
59.04999	3.5
59.55798	1.3
67.05506	15.0
69.03426	8.5
69.07067	8.7
70.68235	2.6
79.05503	14.4
79.15150	1.5
81.07063	22.1
83.04974	6.0
83.08620	4.0
85.06548	3.8
89.06007	3.0
91.05484	28.0
92.05815	2.4
93.07046	34.3
95.04975	9.9
95.08605	19.5
97.06530	4.4
97.10201	1.8
97.89584	1.3
103.05483	2.5
105.07039	33.7
106.07334	2.3
107.04948	4.2
107.08598	22.6
109.06526	9.1
109.10143	9.7
115.05454	2.3
117.07014	12.0
119.08584	38.1
120.08855	2.0
121.06506	6.6
121.10158	23.7
123.04470	1.9
123.08081	15.4
123.11726	3.3
125.05978	4.4
125.42643	1.3
125.78850	1.4
128.06212	5.4
129.07022	7.5
130.07817	2.5
131.08591	15.0
132.09416	1.5
133.10127	22.2
135.08070	13.6
135.11685	10.3
137.09622	14.8
139.07581	1.4
141.07060	1.9
142.07779	5.7
143.08580	15.7
144.09225	2.0
145.06415	1.8
145.10121	26.2
146.10509	1.9
147.08067	23.6
147.11714	5.8
148.08472	1.7
149.09607	5.9
151.07564	11.1
151.11136	2.0
153.09132	1.9
155.08578	6.3
156.09346	4.5
157.10139	20.4
158.10611	6.0
159.08076	2.7
159.11726	18.8
160.12221	1.9
161.09607	5.8
161.13263	5.5
163.11183	8.9
164.11618	1.6
165.09114	43.3
166.09409	3.5
167.08603	2.3
168.09349	2.9
169.10153	9.5
170.10863	3.0
171.11694	12.2
172.12206	2.3
173.09616	4.1
173.13228	7.1
175.11168	6.6
175.14835	5.0
176.11562	2.9
177.09120	1.9
179.08665	1.9
180.09314	1.5
180.11447	1.6
181.10103	4.0
181.12262	10.5
181.13634	1.6
182.10904	3.4
183.11693	8.4
184.12132	2.4
185.09641	1.7
185.13226	6.5
187.11179	3.4
187.14830	5.3
188.11781	1.4
189.09160	1.5
189.12770	5.8
190.13454	1.8
191.10670	1.6
191.14307	2.6
193.10056	2.7
193.12161	3.3
193.71849	1.5
194.10834	1.8
195.11635	6.0
195.13548	1.9
196.12523	1.8
196.52751	1.4
197.13304	8.4
199.11198	1.9
199.14816	4.3
201.12695	2.9
201.16400	1.5
203.14313	15.5
204.14798	2.0
206.10863	2.1
207.11658	4.0
207.13817	7.6
208.14452	2.1
209.13315	6.9
209.15158	2.4
211.14845	4.4
219.13716	2.1
221.13493	4.0
221.15363	100.0
222.15794	10.9
223.14767	3.4
225.12776	2.8
225.16341	2.5
234.16187	3.7
235.14735	4.1
235.16812	2.0
239.14246	1.5
241.19315	1.5
247.16937	5.7
248.17300	2.9
251.17816	1.7
254.16513	1.6
274.19382	3.6
275.19974	7.8
286.19247	3.0
287.20004	6.5
291.19675	6.4
299.20328	3.0
300.20642	3.1
301.21652	5.0
312.20667	3.0
313.21426	4.3
325.21555	3.6
326.22003	3.6
328.23428	1.9
340.23788	3.2
341.24124	4.0
349.25293	1.8
351.22964	1.5
352.23770	3.9
353.24460	7.5
367.26245	5.8
375.26566	2.6
392.26801	2.0
393.27924	2.1
420.29739	2.5
421.30634	2.0
426.27216	2.3
428.28860	3.0
440.29065	5.6
441.29633	13.0
491.35272	11.1
494.34506	1.6
509.36108	4.3
520.35132	1.8
521.36005	15.6
583.41235	10.5
601.42462	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	601.4238
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	3.1
55.05499	8.8
57.07079	12.2
67.05511	15.3
69.03444	7.4
69.07066	8.2
70.02750	6.9
71.08602	2.7
79.05506	16.9
81.07059	23.3
83.04968	4.6
83.08609	3.9
85.06521	6.2
89.06049	6.9
91.05489	22.9
93.07043	38.0
95.04965	9.1
95.08611	25.0
97.06523	4.5
105.07039	41.4
107.08602	23.6
109.06530	8.5
109.10175	13.9
115.05483	4.0
117.07013	9.0
119.08591	37.1
121.06496	5.7
121.10151	24.8
123.08092	14.2
123.11689	3.9
125.09684	2.9
128.06218	3.5
129.06989	5.9
131.08606	12.9
133.10135	23.2
135.08054	12.1
135.11668	9.6
137.09647	12.5
140.87067	2.4
142.07768	8.0
143.08530	9.8
145.10133	29.8
146.10500	3.9
147.08043	16.1
147.11690	11.6
149.09602	4.1
151.07530	10.1
155.08536	6.5
156.09355	5.9
157.10120	18.1
158.10594	2.3
159.08060	4.9
159.11729	17.9
160.08905	2.9
161.09593	4.2
161.13176	2.8
163.11191	8.5
165.06927	2.8
165.09111	47.5
167.08594	4.2
167.10721	2.6
169.10130	7.7
170.10773	4.5
171.11671	13.3
172.12120	4.5
173.09624	3.3
173.13196	7.0
175.11220	6.7
175.14856	5.7
176.11644	2.8
179.08559	3.1
181.12186	7.0
182.10829	2.9
183.11685	6.8
184.12241	4.1
185.13235	10.3
187.11137	4.1
187.14796	6.8
189.12822	3.5
194.10973	2.7
195.11667	9.6
196.12395	3.5
197.13258	7.7
199.14859	3.7
201.16309	3.4
203.14342	14.7
206.10976	2.6
207.11839	3.8
207.13768	6.5
209.13219	7.8
211.14751	7.2
213.16389	3.6
221.13452	4.6
221.15372	100.0
222.15714	5.0
225.16148	3.0
235.14706	3.7
237.16438	3.9
255.23950	2.8
275.19992	3.2
287.20081	3.6
299.20053	4.2
300.20798	4.9
326.22021	3.0
352.24005	5.3
353.24380	11.8
366.25232	4.3
378.25595	3.0
382.49637	2.7
491.35214	6.2
509.36072	4.3
520.35388	3.9
521.35724	17.6
583.41284	11.1
601.42389	39.9
601.55096	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	600.4171
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35461	7.6
50.81581	6.5
52.26755	8.0
55.05504	23.0
57.07079	19.5
62.01639	7.5
67.05496	24.6
69.07056	18.0
71.08643	8.8
71.37016	6.9
78.79346	7.3
79.05494	25.8
81.07065	36.5
83.04975	12.9
83.08649	8.7
89.06026	39.5
91.05484	36.5
93.07041	57.5
93.59370	8.0
95.04990	20.8
95.08614	33.4
105.07012	57.5
107.08591	39.9
109.06503	19.8
109.10143	22.0
115.05460	7.8
117.07039	24.3
119.08606	73.1
121.06516	10.2
121.10158	33.9
121.35115	7.1
123.08086	20.6
125.05987	11.6
129.07008	11.4
131.08580	24.2
133.08604	27.0
133.10132	30.4
135.08046	23.5
135.11670	9.9
137.09621	15.4
142.07808	16.6
143.08591	23.1
144.09363	11.8
145.10115	41.3
147.08063	29.2
147.11711	13.8
149.09625	24.5
155.08519	8.1
156.09380	14.0
157.10146	41.1
159.08076	14.9
159.11708	27.6
160.08850	23.2
161.09593	16.4
161.13348	9.4
163.11230	34.5
165.09131	44.3
168.09291	10.0
169.10136	18.7
170.10721	10.3
171.11658	20.4
173.09479	8.3
173.13313	14.3
175.11209	22.9
177.11183	8.8
181.10115	11.0
181.12224	13.8
183.11758	23.0
183.58653	8.1
185.13336	14.9
189.12804	7.5
190.61919	7.1
193.12323	12.9
195.13745	8.0
196.79466	7.3
197.13327	7.8
201.12770	14.2
203.14314	22.5
207.13837	11.2
208.14546	10.2
209.13359	15.9
211.15021	11.5
219.13811	10.3
221.13345	16.4
221.15340	100.0
222.15628	8.7
227.49730	7.4
234.16148	22.3
235.14713	7.9
237.16429	10.2
247.16983	25.1
274.19308	14.4
286.19217	9.9
287.19974	8.7
289.12079	7.7
299.20081	18.4
312.20987	10.7
313.21735	8.3
325.21597	15.7
352.23920	49.9
365.24438	14.1
415.25311	11.7
427.28467	14.9
440.29163	42.0
520.35602	62.9
540.52704	8.8
600.41101	53.4
600.55304	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	600.4171
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	4.0
55.05501	7.1
57.07069	12.1
59.04991	5.1
67.05501	13.0
69.03424	8.6
69.07055	6.7
71.25123	3.4
73.02796	1.6
79.05497	15.4
81.07066	22.5
83.04976	6.5
83.08610	2.8
85.06536	6.7
89.06021	5.9
91.05478	25.7
92.06232	2.7
93.07049	28.8
95.04991	8.5
95.08611	21.9
97.06529	5.3
104.75517	1.7
105.07031	48.1
106.07781	2.1
107.04960	2.9
107.08598	27.7
109.06533	10.3
109.10146	9.4
110.31933	1.5
111.08050	2.9
117.07020	13.8
119.08590	61.8
120.09374	2.0
121.06525	7.8
121.10152	21.0
123.08073	18.2
123.11731	1.7
125.05976	12.6
126.17284	1.8
128.06232	5.3
129.06996	12.2
130.07806	3.9
131.08580	26.6
132.09352	3.7
133.06480	5.0
133.08569	5.0
133.10133	22.8
134.10901	3.5
135.08054	19.9
135.11688	7.3
137.05923	2.0
137.09598	13.0
139.07527	2.2
141.06956	4.4
142.07784	10.9
143.08575	24.8
144.09334	3.8
145.06451	2.3
145.10132	45.3
146.10828	1.6
147.08051	25.8
147.11729	8.9
148.08685	2.3
149.09596	14.5
150.10385	2.3
151.07524	14.7
151.11131	2.0
153.09073	1.9
155.08543	9.0
156.09340	8.0
157.10133	35.5
158.10854	5.7
159.08063	6.4
159.11697	25.6
160.08731	1.6
160.12228	2.3
161.09625	9.9
161.13264	7.5
162.10469	2.2
163.11180	21.9
165.07057	2.7
165.09108	47.9
167.08572	6.0
168.09331	3.7
169.10146	16.4
170.10896	6.8
171.08075	2.4
171.11691	19.7
172.08707	2.0
172.12396	5.5
173.09641	9.2
173.13295	10.5
174.10397	1.7
175.11197	21.9
175.14813	2.7
177.09122	2.9
177.12701	2.9
177.53720	1.5
178.09903	3.5
179.08542	2.7
179.10580	2.2
179.99185	1.6
180.09322	3.6
180.11417	2.7
181.10164	4.6
181.12231	24.3
182.10872	4.4
183.11687	12.8
184.12405	3.3
185.09592	5.0
185.13274	11.6
187.11174	5.7
187.14796	2.9
189.09195	1.8
189.12761	9.8
190.13585	9.1
191.10672	4.4
191.14426	2.7
193.10170	5.4
193.12259	17.4
194.10857	2.6
195.11711	11.0
195.13574	1.8
196.12489	4.2
197.09676	3.4
197.13240	13.1
198.10498	2.0
199.11183	6.9
199.14746	3.7
201.12752	7.9
203.10480	1.6
203.14326	16.9
204.14758	2.0
206.10895	3.3
206.12941	1.9
207.11694	7.6
207.13809	9.3
208.12666	2.6
208.14557	7.0
209.13261	9.9
209.15102	2.9
210.14044	2.7
211.11227	4.0
211.14845	6.9
212.11986	2.3
212.15530	2.2
213.12762	5.7
215.14337	4.8
216.15068	2.4
217.12325	2.1
219.11821	2.9
219.13823	10.3
220.12469	2.2
221.13353	5.6
221.15361	100.0
222.15717	5.9
223.11206	2.3
223.14818	5.2
225.12740	4.6
225.16428	4.3
227.14307	3.8
229.12274	3.9
229.15773	3.3
231.11702	2.4
231.13809	3.4
233.13261	3.5
233.15419	4.5
234.13905	3.8
234.16109	25.8
237.12810	4.3
237.16437	4.4
240.18829	2.3
241.15724	2.9
247.14580	2.2
247.16928	31.9
248.17593	1.9
249.12747	2.0
249.16402	2.5
253.15874	6.0
259.17017	3.0
260.17722	3.2
261.18607	4.0
265.19278	1.8
269.15448	3.5
271.16989	3.2
273.18362	2.4
274.19324	15.4
279.17215	2.3
281.18982	4.5
283.26321	2.8
285.18723	2.7
286.19180	4.7
287.20251	13.2
295.20770	2.5
297.18509	4.4
297.21701	1.8
298.19070	1.8
299.20135	22.5
300.20822	4.3
307.20670	2.5
311.20184	4.3
312.20944	11.5
313.21744	8.2
325.21622	17.6
327.23227	3.1
337.21561	3.7
339.23178	9.5
339.28751	3.0
340.23978	19.6
351.37927	1.6
352.20007	2.8
352.23993	36.3
365.24780	6.4
366.25320	3.7
377.24738	2.8
379.26248	5.1
387.25330	5.6
391.26233	5.1
392.26938	2.0
398.14124	1.8
400.26114	2.3
413.26962	6.7
415.25177	2.7
419.29526	10.2
420.29852	5.7
425.26816	9.1
426.27667	6.8
427.28421	19.5
439.28589	2.3
440.29254	56.8
442.30569	2.5
454.30759	3.1
493.32599	1.9
494.34317	1.8
505.33142	1.8
507.34650	4.0
508.35443	5.3
508.64615	1.8
520.35510	45.9
582.40631	3.0
585.39014	5.1
600.41650	35.8
600.55444	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	600.4171
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03048	7.2
53.22934	7.9
55.05505	14.3
57.07083	16.5
67.05498	15.7
69.03447	10.0
69.07074	9.6
71.08607	10.6
71.52508	10.6
79.05485	21.6
81.07056	38.1
83.04997	17.0
89.06018	36.6
91.05479	31.6
93.07045	33.7
95.04949	16.2
95.08610	30.8
97.06547	18.2
97.10176	7.1
105.07043	47.2
107.08575	26.5
109.06535	17.8
109.10150	16.0
115.05443	8.8
117.07016	22.4
119.08601	74.6
121.06536	9.0
121.10153	25.5
123.08058	12.5
125.06033	10.1
125.27470	7.1
128.06221	7.5
129.06976	12.6
129.98724	7.3
131.08559	29.2
133.08575	23.4
133.10132	31.1
135.08031	21.2
135.11667	8.7
137.09592	10.9
142.07751	12.1
143.08524	38.9
145.10127	42.2
147.08041	25.2
147.11571	9.0
149.09615	15.3
157.10106	35.1
159.11693	21.9
160.08835	9.4
161.09654	15.3
163.11142	20.2
165.09099	23.2
168.24057	8.6
169.10103	12.7
170.10927	9.3
171.11682	25.4
173.09653	10.5
175.11192	25.4
177.11322	11.5
181.09998	8.3
181.12274	12.3
183.11777	18.6
185.13210	15.4
193.12274	11.4
194.10948	10.4
195.11661	8.5
197.13242	11.4
203.14339	19.0
207.11807	8.0
207.13765	11.4
208.14630	8.6
221.15382	78.9
225.12575	8.5
234.16185	18.7
247.16997	25.1
274.19260	11.8
287.20029	9.4
299.19849	15.0
313.21579	9.3
325.21622	16.6
340.23831	17.1
352.23947	25.8
355.19067	10.6
370.21207	8.6
415.25400	9.5
426.20120	19.5
440.29285	53.2
452.21729	15.3
485.25092	12.0
513.24579	28.4
520.35388	35.6
528.09344	8.5
540.23309	35.8
600.25482	100.0
600.41296	33.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.294
Annotation	Unknow
Peak:m/z	Relative Intensity
51.00318	0.4
53.03948	0.9
55.01867	1.0
55.05313	0.3
55.05519	4.0
56.05027	0.4
57.03426	0.5
58.15967	0.4
58.99581	1.1
60.90226	0.4
63.60590	0.4
65.03958	1.1
67.05505	10.7
67.19881	0.4
68.05824	0.4
68.99760	0.4
69.03422	1.0
69.07081	4.2
69.84937	1.0
69.85353	1.4
70.02945	0.4
70.06573	0.5
71.05000	0.6
73.01147	0.5
74.00671	2.7
74.09718	0.4
76.02221	1.0
79.05498	6.9
80.05007	1.4
81.03429	1.9
81.06587	0.8
81.07056	15.5
83.04974	1.7
83.06078	1.3
83.08620	2.4
84.04514	4.4
85.01105	0.6
85.02898	0.5
85.06546	0.8
86.00657	1.2
87.02670	0.5
91.05476	6.5
93.07047	9.3
94.06557	1.3
95.04969	2.2
95.08609	8.5
96.08134	0.4
97.01108	1.0
97.02869	0.9
97.06528	1.8
97.10175	1.2
98.00664	0.7
99.01441	2.0
99.05586	0.8
100.02198	4.0
102.05537	0.5
105.07036	6.6
106.06585	0.9
107.04967	1.3
107.08603	5.6
108.08176	0.8
109.06518	2.4
109.10162	4.2
111.02673	0.8
111.04486	0.6
111.08083	0.7
112.02183	5.1
113.02984	0.9
114.03762	6.0
116.01669	2.3
117.07016	2.4
119.08579	5.2
120.08128	0.7
121.06530	1.7
121.10143	3.0
123.02670	0.7
123.04427	0.9
123.08060	0.9
123.11717	0.9
125.04198	0.8
125.09658	0.5
126.03748	1.9
129.06506	2.0
130.04987	1.4
131.08569	3.0
133.06528	0.5
133.10141	3.4
134.09671	0.5
135.02617	0.7
135.08092	0.9
135.11664	2.2
136.03842	0.6
137.04202	0.7
137.09634	1.4
138.03769	1.2
138.05539	0.5
139.03925	10.9
139.05711	0.4
139.11140	0.6
140.04237	2.8
140.05301	4.0
142.03261	0.6
143.08563	0.7
144.01132	0.7
145.10117	2.5
147.08110	0.6
147.11684	2.6
149.09645	1.4
149.13251	1.4
151.03902	0.9
151.11156	0.7
152.05292	1.5
153.06544	0.9
154.06882	0.8
159.11740	1.5
161.06027	0.7
161.09645	0.6
161.13214	0.5
162.02200	1.1
163.03912	1.3
163.11195	1.3
166.06888	0.8
168.08432	10.2
168.09839	0.7
171.11684	0.8
173.06029	0.5
173.11943	0.4
173.13283	1.5
175.06165	0.4
175.07657	0.5
175.11259	0.5
177.12769	0.6
179.04951	0.7
181.06387	0.7
185.03830	1.7
187.05370	0.9
189.03281	0.5
191.14326	0.7
193.12242	0.8
196.11569	1.6
199.07343	1.0
202.04100	1.2
207.08345	0.5
207.13864	0.6
209.15416	0.9
210.09834	0.4
213.09273	0.4
215.04927	0.8
216.05574	2.2
222.14984	0.4
224.11060	4.7
231.04312	3.1
233.05923	0.9
236.14526	0.8
236.16615	0.9
241.06429	1.2
241.11334	0.6
242.12097	10.4
255.08023	1.8
257.19077	0.6
264.14142	3.9
269.09650	1.1
270.10315	3.9
271.11160	0.7
275.20105	5.4
281.14514	1.4
282.15234	18.8
292.22900	0.5
293.21140	1.3
308.09091	1.1
323.16150	0.9
323.20035	0.5
332.20810	0.5
333.18887	1.7
344.14038	2.5
350.21515	10.1
351.20041	1.7
368.22543	9.9
378.21198	1.6
384.17166	6.3
385.17810	1.4
396.22403	0.7
426.23679	0.5
453.24200	100.0
454.24417	1.1
507.25095	0.5
525.26129	4.5
582.28223	2.0
583.27332	0.6
600.20758	0.9
600.29462	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	600.2948
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.8
55.01880	1.3
55.05516	5.5
56.05032	1.2
57.03445	0.9
57.98801	1.8
58.06607	0.7
58.99293	1.0
58.99588	16.0
59.04991	0.8
59.07375	0.9
60.08165	1.7
61.49639	0.6
64.17180	0.6
67.05510	8.8
69.03415	1.9
69.07069	5.1
71.05000	1.5
71.52843	0.6
76.02231	72.9
76.03982	2.4
79.05497	6.9
81.03416	2.4
81.07057	11.3
83.04996	3.3
83.06103	2.2
83.08617	3.3
84.04509	14.0
85.02905	1.3
85.06523	0.8
86.09721	5.6
86.99057	3.8
88.02232	1.7
91.05486	7.6
93.07045	9.7
95.04974	2.7
95.08607	7.1
96.04507	0.6
97.02883	1.2
97.06532	2.7
97.10154	1.4
99.05556	0.9
102.05573	0.7
104.10746	3.6
105.07047	7.5
107.04948	2.5
107.08604	6.2
109.02875	0.7
109.06523	4.3
109.10158	4.6
111.08070	0.7
114.03768	0.9
116.01684	20.8
116.02508	1.0
117.07055	2.9
119.08575	5.3
120.37551	0.7
121.06506	3.8
121.10159	3.4
123.08050	2.1
123.11704	1.4
124.99976	3.0
127.05112	0.7
129.06671	1.3
130.04994	5.6
131.08598	5.8
133.06471	1.4
133.10124	8.6
135.08076	2.3
135.11682	1.8
136.03941	0.6
137.09605	0.9
142.03217	5.9
143.08601	1.7
144.01152	12.5
144.97612	0.7
145.06189	1.1
145.10106	5.9
147.08070	1.6
147.11697	5.0
149.09619	2.5
149.13214	1.1
151.11179	2.3
155.08524	0.7
157.10071	1.4
159.08060	0.7
159.11702	3.7
161.09595	1.9
161.13289	1.8
162.02211	38.5
163.03978	1.1
163.11197	2.1
169.10207	0.9
170.02682	2.5
171.11661	1.5
173.04607	0.6
173.09637	0.8
173.11783	1.0
173.13243	1.8
175.11159	1.4
179.04861	100.0
183.11772	1.0
184.07359	18.4
185.13264	0.7
187.05362	2.6
191.14259	1.6
197.13333	0.6
201.12837	1.0
207.13907	2.9
215.04897	1.4
219.10262	0.7
219.13773	1.4
229.19479	1.1
233.05919	12.6
233.15594	0.7
239.18054	1.1
245.05960	4.4
247.20502	1.0
257.19025	3.8
273.18643	3.4
274.10236	0.6
275.20074	30.4
290.08060	1.0
291.06473	2.7
291.19537	2.5
293.21106	22.1
293.24310	1.3
308.09119	34.1
313.58200	0.6
317.26849	0.6
333.18991	0.9
368.18106	0.6
368.22574	10.4
378.20929	1.0
453.24246	5.7
471.25351	3.0
507.25259	0.8
525.26257	3.9
582.28345	2.6
600.29138	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	600.2655
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03425	0.4
61.02939	0.4
69.03419	0.7
70.06587	0.8
70.79601	0.9
73.02887	0.3
79.05487	0.5
81.03406	1.0
83.58129	0.3
85.02895	0.9
91.05465	0.8
97.02890	1.0
105.07027	0.7
107.04943	0.8
115.05464	0.7
116.06194	0.3
116.98663	0.3
117.06953	0.7
121.06487	0.5
123.04449	0.6
128.06227	1.2
129.07016	4.1
131.04878	0.3
131.08569	4.8
133.06488	0.8
133.10088	0.6
136.06190	9.5
139.03845	0.4
141.06998	1.6
142.07802	0.5
143.08560	1.0
144.05695	1.7
145.06485	1.9
146.07236	0.7
151.03830	0.4
153.06960	0.5
156.05649	0.5
157.06506	2.3
158.07210	0.8
159.08063	9.5
161.05922	0.6
161.09605	2.4
163.03867	0.5
163.94498	0.3
167.07016	0.8
169.07680	0.6
170.07298	1.8
171.08037	1.4
172.05251	0.7
173.05959	1.4
173.09502	0.3
174.06770	0.6
175.07552	1.0
178.06133	0.6
181.08504	0.4
187.07539	7.7
189.09099	3.1
193.08652	0.5
193.12254	0.8
198.06668	0.4
199.07533	0.8
201.09006	0.7
203.07051	0.9
204.07814	4.8
205.08597	0.7
206.09407	0.7
207.10231	0.4
216.07910	1.4
217.08624	0.5
218.09389	0.9
219.10173	2.0
221.11699	1.5
231.10170	3.0
233.11766	0.9
234.08813	0.5
237.11243	0.7
240.59714	0.3
249.11221	100.0
250.11555	0.7
251.12761	2.3
264.04697	0.3
267.12299	4.8
285.16913	0.5
291.08176	0.4
582.27625	0.5
600.28461	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.2652
Annotation	Unknow
Peak:m/z	Relative Intensity
51.58178	0.2
55.05511	0.3
57.66688	0.2
61.95232	0.2
69.03418	0.5
69.36451	2.0
70.06599	1.3
72.08147	0.2
78.37854	0.2
79.05493	0.2
84.08141	0.3
85.02885	0.9
91.05464	1.1
93.07068	0.3
97.02871	1.5
100.11226	0.4
103.05436	0.5
105.07029	0.8
107.04946	0.9
112.08720	0.3
115.05448	1.0
116.06176	0.5
116.07008	0.3
117.07004	1.0
119.04992	0.3
119.08526	0.3
120.08059	0.3
123.04411	0.3
123.53419	0.2
128.06210	1.9
129.07001	5.1
131.04901	0.5
131.08559	6.4
133.06487	0.7
133.10109	0.6
135.04388	0.5
137.06036	0.4
139.03908	0.4
141.06953	1.9
142.07793	0.7
143.08600	1.2
144.05708	2.3
145.06502	1.5
145.10057	0.2
146.07228	0.6
147.04404	0.4
147.08002	0.4
151.03937	0.3
152.06140	0.3
153.06984	0.9
155.06026	0.4
156.05699	0.4
157.06487	3.1
158.07245	0.6
159.08057	10.6
160.21448	0.3
161.05959	0.8
161.09627	3.0
163.03908	1.6
167.07054	1.0
169.06395	0.4
169.07646	1.4
170.07298	2.2
171.08035	2.1
172.05171	1.1
173.05963	1.2
173.09573	0.5
174.06691	0.9
175.07532	1.0
178.06258	0.4
182.15291	0.5
183.15660	0.3
185.05928	0.4
186.06894	0.3
187.07535	8.3
188.08287	0.4
188.60526	0.3
189.05399	0.6
189.09131	3.8
190.06337	0.5
191.07010	0.4
192.07901	0.3
193.08553	0.5
198.06743	0.7
199.07524	1.1
201.05424	0.5
201.09178	0.5
203.06996	1.5
204.07816	5.2
205.08598	0.9
206.09521	0.3
207.10226	0.3
210.14854	0.6
211.15179	0.5
216.07838	1.5
217.08571	0.6
218.09392	0.5
219.10158	2.4
221.08116	0.6
221.11671	1.4
231.10191	2.6
233.11769	1.1
234.08847	0.7
237.11237	0.5
249.11215	100.0
250.11591	0.5
251.12718	1.5
267.12259	2.8
310.77817	0.2
374.37988	0.2
485.19827	0.4
557.44159	0.3
600.42596	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.2655
Annotation	Unknow
Peak:m/z	Relative Intensity
50.29939	0.2
56.96547	0.2
67.05512	0.4
69.03409	0.6
69.18231	1.9
69.18650	0.5
70.06573	0.8
72.08134	0.5
74.45750	0.2
78.00918	0.2
78.60646	0.2
79.05500	0.3
81.03408	0.4
81.07017	0.3
83.08620	0.3
85.02912	0.7
86.09680	0.3
91.05478	1.2
97.02908	1.5
98.20795	0.5
100.07625	0.3
100.11256	0.6
103.05488	0.3
105.07029	0.5
105.53616	0.2
107.04933	0.7
110.07242	0.3
115.05462	1.1
116.06281	0.3
116.07082	0.3
117.07037	0.6
119.04919	0.3
119.62521	0.3
121.02814	0.3
121.06509	0.4
123.04393	0.3
128.06223	1.4
128.07045	0.3
129.06999	5.4
130.07747	0.3
131.04903	0.5
131.08582	5.3
132.05669	0.5
133.04979	0.4
133.06490	1.0
133.10132	0.6
135.04436	0.6
137.06020	0.3
139.03970	0.4
141.07005	1.9
142.07748	0.5
143.04898	0.3
143.08565	1.0
144.05704	1.9
145.02940	0.3
145.06490	2.0
146.07260	0.9
147.04372	0.5
151.03925	0.4
153.06998	1.0
157.06497	2.7
158.07277	0.5
159.08066	9.3
161.05962	0.8
161.09636	3.1
163.03947	1.6
167.07039	1.1
169.06380	0.5
169.07639	1.2
170.07283	1.8
171.08040	2.3
172.05191	0.4
173.05945	1.2
174.06763	0.5
175.07565	1.0
177.05498	0.3
178.06242	0.4
182.15405	0.4
185.05951	0.3
186.06813	0.4
187.07556	8.5
189.05455	0.8
189.09142	3.4
190.06271	0.4
191.07002	0.5
193.08600	0.3
196.13367	0.6
198.06729	0.6
199.07497	1.2
201.05537	0.6
201.09085	0.3
203.07066	1.3
204.07814	4.7
205.08624	0.7
206.09396	0.5
207.10173	0.6
210.14876	0.8
211.15251	0.4
216.07845	1.5
217.08600	0.5
218.09378	0.7
219.10179	2.8
221.08138	0.3
221.11731	1.2
231.10211	3.2
233.11806	0.9
234.08942	0.3
237.11209	0.6
240.53688	0.3
249.11230	100.0
250.11588	0.5
251.12741	1.8
267.12262	2.9
293.13055	0.2
295.18292	0.2
317.12497	0.5
465.41901	0.3
485.20111	0.4
599.41888	0.4
600.25775	0.6
600.42310	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.4097
Annotation	4,4'-Dihydroxydiatoxanthin
Peak:m/z	Relative Intensity
50.85870	1.5
53.03949	4.8
55.01852	1.6
55.05516	12.1
55.40993	1.4
57.07077	3.7
58.40527	1.6
59.04994	1.6
65.03960	1.9
66.90247	1.6
67.05507	19.9
69.03442	11.1
69.07067	17.0
71.05001	2.2
79.05492	15.8
80.12987	1.6
81.03426	5.9
81.07059	19.4
83.04977	6.2
83.08627	7.1
84.04488	3.7
85.06557	3.5
91.05486	25.5
93.07043	37.0
95.04973	13.4
95.08611	16.3
97.06564	5.4
97.10168	3.6
101.74243	1.7
105.07034	36.4
105.07687	2.4
107.04944	2.6
107.08589	26.9
109.06530	6.7
109.10151	13.4
111.04476	1.7
111.08092	3.0
113.95593	1.5
115.05443	2.7
117.07040	7.7
119.08574	30.2
121.06513	8.0
121.10136	44.2
121.10926	3.1
123.08078	13.7
123.11705	8.7
125.09644	7.4
128.06236	5.0
129.06993	5.9
130.07777	3.2
131.08563	21.8
133.06546	3.8
133.10121	26.1
133.10962	2.4
135.08087	8.6
135.11702	8.7
137.09602	4.2
139.11195	3.8
141.07019	4.3
142.07782	7.3
143.08566	14.1
144.09384	3.4
145.10133	26.5
147.08037	9.4
147.11705	7.6
149.09622	18.0
151.07547	14.6
155.08604	7.4
155.10625	3.1
156.09366	7.5
157.10136	18.2
158.10973	2.4
159.08086	6.8
159.11707	15.5
161.09680	4.7
161.13239	4.5
163.11206	5.6
165.07031	3.1
165.09111	8.7
166.07686	2.0
167.08513	3.9
167.10680	72.9
169.10097	10.1
170.10956	3.3
171.11705	13.4
173.09683	5.6
173.13234	10.6
175.11179	2.9
175.14833	6.8
179.08669	3.8
180.09471	1.7
181.05972	1.8
181.10159	4.9
181.12244	4.2
182.10976	4.4
183.11732	8.9
185.09668	2.9
185.13289	6.6
187.11235	3.7
187.14848	7.4
189.11253	1.8
189.12831	5.4
191.14322	5.9
193.10164	5.1
194.10965	5.6
195.11774	8.7
195.13686	2.1
196.12485	3.7
197.13347	10.2
199.11174	2.4
199.14856	3.8
201.16296	2.3
203.14363	6.7
205.10231	2.4
206.10880	2.9
207.11761	6.0
207.13861	6.4
209.13333	8.9
211.14879	5.1
213.12770	3.5
213.16544	3.1
215.14395	5.5
217.10110	1.8
220.12524	2.6
221.13268	5.9
221.15446	24.5
222.14037	2.8
223.14853	5.6
225.12759	3.9
225.16467	2.4
227.14481	2.5
233.13171	1.7
233.15343	30.5
235.14836	4.2
239.18155	2.9
245.13313	2.5
247.14880	2.1
247.17163	3.4
251.14305	2.3
255.17702	2.3
259.14822	3.7
259.20782	1.8
265.19577	2.7
273.18732	2.7
275.17865	2.4
277.19662	1.8
281.19208	2.0
287.20319	2.4
299.20215	4.7
339.29065	4.2
349.21664	2.1
351.23413	2.2
359.23846	2.2
373.25656	1.9
375.23083	2.9
377.24646	3.5
391.25943	2.7
393.24509	2.5
563.38477	3.3
571.41547	2.5
581.39777	23.7
599.40979	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.3402
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03959	0.8
55.01873	0.7
55.05512	1.8
57.03449	1.2
59.04995	1.1
64.84606	0.4
65.03954	0.5
67.05504	6.5
68.05827	0.4
69.03428	1.6
69.07075	1.5
69.24866	3.9
71.04988	1.9
73.02932	0.5
79.05491	3.9
81.03423	3.6
81.07064	4.2
82.73539	0.4
83.04992	1.2
83.08636	1.4
85.02901	0.7
85.06532	0.5
86.05003	0.4
91.03918	0.6
91.05485	3.3
93.07031	2.1
95.04964	2.0
95.08607	1.7
97.02905	1.1
97.06552	1.9
97.10187	1.0
101.02384	0.4
105.07047	2.6
107.04967	0.9
107.08598	2.2
109.02895	0.6
109.06555	0.8
109.10152	2.8
111.04475	0.7
111.08047	0.5
117.06997	0.8
119.08558	2.2
121.06574	0.5
121.10133	2.1
123.04479	2.5
125.09644	0.7
127.03955	0.8
129.07043	0.8
131.08571	1.9
133.10143	1.3
135.04440	0.4
135.08032	0.7
135.11710	0.8
139.03908	2.3
142.07802	0.5
145.10129	1.0
146.04436	0.4
147.04420	0.7
147.11700	1.2
149.09595	2.2
151.03986	0.6
157.10178	1.1
163.03905	2.0
165.05515	0.6
173.11777	0.9
175.11206	0.6
181.12306	0.4
189.05493	0.5
193.12346	0.7
208.88469	0.4
225.14795	0.6
227.12814	0.5
233.11607	1.0
240.43884	0.4
259.09723	0.5
267.16052	1.0
283.15173	15.9
285.10422	0.5
313.14987	0.5
339.17816	8.5
408.52551	0.4
495.25513	2.7
563.26044	0.6
581.30798	0.7
599.34082	100.0
600.34351	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.1973
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03956	0.9
55.01861	1.3
57.03437	0.7
65.34561	0.3
69.03425	0.7
69.62502	2.3
70.06583	0.6
79.05477	1.2
81.03419	1.0
85.02895	2.5
91.05479	0.5
95.04963	1.2
97.02887	1.1
99.55177	0.4
103.03951	0.4
105.04515	0.5
107.04955	100.0
109.02902	0.7
111.23540	0.4
116.07048	0.5
119.04939	0.5
121.02860	2.0
121.06486	0.8
123.04448	1.2
131.04915	1.2
133.06458	0.5
135.04410	0.6
139.03891	1.0
141.06996	0.5
145.06491	0.4
147.04410	2.1
149.02293	0.5
149.05986	0.9
151.03893	1.4
157.06439	0.6
159.04408	0.8
161.05968	1.0
163.03854	2.8
164.88048	0.4
171.04456	1.0
173.05997	1.0
175.03909	2.3
177.05493	1.8
181.04961	1.5
181.06374	0.4
185.06044	0.7
187.03847	1.7
189.05470	1.4
191.03470	1.1
193.04970	2.9
199.03935	0.5
199.07642	0.5
201.05493	1.3
203.03349	0.7
205.04968	6.3
207.06558	0.5
210.08806	0.4
213.05531	1.4
215.03494	0.5
215.06958	0.5
217.04938	5.5
219.02959	0.6
219.06532	1.6
221.04381	1.8
223.06039	1.6
225.05464	0.8
227.07094	0.9
229.05029	2.3
231.06509	2.1
233.04497	0.8
235.06004	3.7
241.05028	1.4
243.06523	1.6
245.04568	0.5
245.08200	0.6
247.06026	4.9
249.11234	0.5
253.05080	1.2
255.06560	1.0
257.04422	0.5
259.06000	7.4
267.06744	0.4
269.07858	0.4
271.05994	2.9
273.07678	1.2
277.07077	1.5
279.06558	0.9
281.07742	0.5
283.06110	1.7
285.07639	1.3
287.09143	1.2
289.07068	2.7
293.08112	0.5
295.06055	0.7
297.07578	1.0
299.05997	0.5
299.09033	2.0
301.07071	3.6
311.05743	0.5
311.09021	1.8
313.07077	3.3
317.10184	1.1
319.08240	0.6
323.09119	0.6
325.07153	2.5
327.08661	0.8
329.10165	3.5
331.09796	0.4
335.09442	0.5
337.06940	0.6
341.10236	4.4
343.08276	1.4
347.08676	0.4
353.10181	5.9
361.09271	0.6
365.10208	3.9
367.08224	0.5
377.10196	1.9
383.11261	7.4
385.09177	0.4
387.87244	0.4
389.10043	1.5
393.09689	0.5
395.11285	7.1
395.16025	0.7
407.11285	7.1
413.12357	3.2
419.11139	6.3
425.12286	3.6
429.11844	0.8
431.13477	9.5
437.12476	0.6
443.13416	3.5
449.12271	5.9
461.13147	4.7
467.13492	3.3
473.12436	1.8
479.13443	3.9
485.14520	3.7
491.13071	1.9
497.14468	5.9
509.14407	3.1
527.15558	2.6
545.16656	2.4
563.17584	0.5
599.20703	0.4
599.31775	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.1607
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01844	0.8
57.03437	1.4
60.82716	0.7
61.02908	1.3
61.29396	0.6
69.03420	2.9
70.06567	0.7
70.63955	1.3
81.03420	1.3
85.02914	7.8
97.02899	3.4
102.68092	0.7
109.02832	1.3
127.03883	1.0
133.06053	0.7
145.04968	1.4
147.14035	0.7
167.03336	1.8
177.05478	1.1
228.04155	1.8
233.04448	1.3
241.08638	1.6
243.06601	1.4
243.10086	0.8
244.03838	1.7
245.04332	1.4
249.11270	1.0
256.03745	6.3
259.02304	2.4
260.03162	1.1
268.03802	0.9
270.05228	4.2
271.06033	13.8
272.03140	14.2
273.03876	2.6
273.06909	0.8
274.04727	3.9
275.05530	7.0
282.05472	1.2
284.03177	4.1
284.06329	0.9
285.07593	6.2
287.05499	100.0
288.06241	3.1
294.05283	2.1
296.03375	0.8
298.04678	9.1
299.05573	14.1
299.09079	2.3
301.03577	1.1
301.07077	1.3
302.04227	3.2
309.04153	0.8
309.07632	2.6
310.04724	1.2
311.05460	2.2
312.06259	3.0
313.03372	2.5
313.06998	23.8
315.04813	1.0
317.06549	79.2
318.06998	0.8
322.04413	1.5
325.07016	2.1
327.08636	10.5
337.07095	3.5
338.04355	1.2
341.06561	44.3
350.04175	2.3
353.06583	19.2
355.08145	2.0
365.06589	12.2
368.05521	0.9
371.07605	27.2
383.07602	23.6
401.08670	27.5
419.09726	37.8
437.05496	0.7
437.10611	4.3
479.12073	1.4
581.15417	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.1398
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03969	0.3
54.17343	0.4
55.05503	0.5
63.02374	0.4
65.03944	0.3
67.05504	1.3
69.03423	0.8
70.06582	0.7
72.08150	0.8
79.05516	0.5
80.60457	0.3
81.03407	0.6
81.07066	1.1
83.04962	0.5
84.08089	0.4
85.02892	1.1
86.09698	0.4
89.03919	8.6
91.05476	1.6
93.07034	0.9
95.04961	0.6
95.08611	0.8
96.04513	3.0
97.02893	1.0
97.06519	0.4
98.09715	0.3
98.97611	0.4
105.07027	0.7
106.04163	0.5
107.04943	0.5
107.08583	0.7
109.06494	0.4
109.10152	0.6
111.08160	0.4
112.03961	5.2
117.03385	21.1
119.04926	0.6
119.08578	0.4
121.02867	0.4
121.06492	1.0
123.04409	0.5
124.07565	0.5
134.03627	1.5
135.04388	1.8
136.07584	12.1
137.05940	0.5
139.03973	0.5
143.08649	0.4
145.02850	46.0
147.04417	0.9
149.05983	6.5
149.09669	0.5
151.03912	2.4
152.07068	22.0
153.01868	0.5
157.06451	0.4
163.03889	2.2
165.05519	0.5
165.09001	0.4
167.07051	0.6
170.08105	0.4
174.05470	0.4
175.04057	0.4
177.05473	100.0
178.05865	0.5
186.05470	1.7
187.03957	0.7
194.11742	0.7
205.05026	0.4
207.06444	0.5
210.11247	1.1
211.04007	0.4
215.03433	0.5
217.05019	1.0
219.10197	3.4
228.04237	1.0
229.04831	0.8
233.04440	1.6
243.02882	0.3
245.04468	1.4
246.05238	1.5
256.03732	1.6
257.04480	1.9
259.09790	0.4
260.03101	1.2
261.03964	1.1
271.06052	0.4
273.03925	6.3
274.04730	6.9
275.05371	0.4
275.48450	0.3
285.03955	3.5
287.05493	0.7
297.04129	0.5
299.05490	0.8
301.03397	0.4
303.04999	50.5
304.05371	0.3
305.14984	0.9
313.11685	0.4
317.06491	0.5
323.05487	0.7
327.05042	2.4
332.12323	0.6
351.05005	1.8
351.15945	0.4
369.06097	1.1
387.07211	0.5
405.07864	0.6
410.91779	0.4
423.09833	0.4
446.16623	1.6
458.16989	0.8
467.20239	2.2
504.20685	0.5
542.29974	0.4
599.13672	2.2
599.24750	5.0
614.29675	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.1399
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	0.4
55.05497	0.4
56.96553	0.5
57.03435	0.4
57.07075	0.3
61.58947	0.3
63.02360	0.6
66.74515	0.3
67.05494	0.8
69.03421	0.6
69.07066	0.4
70.06596	0.6
70.26435	0.6
71.04971	0.4
72.08136	0.5
79.05497	0.8
81.03413	0.9
81.07045	1.3
83.08630	0.4
84.08150	0.4
85.02916	1.0
86.09728	0.4
89.03923	9.7
91.05485	1.3
93.07037	1.1
95.04947	0.9
95.08592	0.6
96.04520	2.0
97.02891	1.6
97.06531	0.9
98.09636	0.3
103.05489	0.6
105.03430	0.3
105.07010	0.7
106.04216	0.5
107.04975	0.4
107.08580	0.5
109.02881	0.5
109.10147	0.4
112.03968	3.7
116.98620	0.3
117.03385	23.4
119.08582	0.6
121.06537	0.6
122.06038	0.5
122.54423	0.3
123.04423	0.7
123.05359	0.3
127.03938	0.4
131.04903	0.3
131.08673	0.3
133.10207	0.4
134.03616	1.4
135.04401	2.0
136.07574	8.1
137.05980	0.4
139.03897	0.5
145.02849	49.9
145.10075	0.4
147.04387	0.6
149.05975	6.9
151.03918	3.2
152.07076	14.7
153.01854	0.5
158.06076	0.6
161.05978	0.6
163.03903	3.0
165.05515	0.4
170.08090	0.7
174.68941	0.3
177.05476	100.0
186.05513	2.1
187.03908	1.0
194.11765	0.4
195.06500	0.4
203.03494	0.4
210.11281	1.3
215.03401	0.5
217.04976	1.2
219.10149	3.4
228.04089	0.8
229.04962	0.5
233.04431	1.2
245.04478	1.4
246.05202	1.6
256.03635	1.2
257.04492	1.9
259.09665	0.5
260.03143	1.4
261.03949	1.0
268.69934	0.4
269.04520	0.5
273.03928	7.8
274.04730	7.0
275.05487	0.6
285.03967	4.4
287.05502	0.5
295.06027	0.7
297.03766	0.6
299.05405	0.8
301.03351	0.4
303.04996	55.8
304.05380	0.4
305.14725	0.8
313.06958	0.8
313.11948	0.4
315.04727	0.5
317.06476	0.6
323.05374	0.7
327.04926	2.2
351.05063	1.8
369.06046	0.8
387.06879	0.5
392.94534	0.4
398.14822	0.4
399.15500	0.3
405.08258	0.8
423.09131	0.3
446.16354	1.0
458.17014	0.7
467.20224	1.4
504.20602	0.4
599.13794	2.3
599.24567	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	598.2496
Annotation	Unknow
Peak:m/z	Relative Intensity
52.59372	0.9
53.03940	1.9
55.01866	1.2
57.03426	1.1
60.04513	1.4
61.02923	1.8
67.05505	1.0
69.03436	2.8
69.67391	3.4
69.67805	2.5
70.06572	1.0
71.04995	2.0
72.08172	1.5
79.05493	4.0
79.32049	0.8
81.03427	14.6
81.07057	2.3
85.02911	11.1
91.03948	1.5
91.05464	3.7
93.07022	1.3
95.04966	1.3
95.08603	1.3
97.02879	5.9
98.20779	1.2
98.97562	1.4
103.05446	2.1
105.07003	2.3
106.06548	1.5
107.04951	10.7
109.02889	1.4
109.10146	1.0
115.05476	6.0
117.03326	1.2
117.07016	13.7
121.02844	2.3
121.06486	2.3
121.10147	1.1
123.04449	5.5
124.05212	1.8
127.03962	2.3
128.06181	1.1
129.06953	2.6
131.04927	1.2
131.08578	4.1
132.05721	1.0
132.28844	1.0
133.06485	1.0
135.04417	2.1
137.05998	1.5
139.03923	1.4
141.06985	1.4
144.05698	2.9
145.02892	1.6
145.04961	2.0
145.05159	1.5
145.06488	29.6
147.04413	2.0
151.03874	1.8
152.04716	1.2
153.05516	1.4
153.12840	1.8
155.06036	3.6
156.05661	6.7
157.06494	1.4
159.08075	5.7
161.05983	3.5
162.07697	1.5
163.03868	6.2
167.07048	50.2
173.05994	60.1
175.03751	1.1
175.07561	1.2
177.05495	2.0
180.08652	5.1
181.04936	2.2
183.06543	1.7
184.05252	2.4
187.07550	5.8
190.06248	34.0
191.06982	2.2
193.08597	2.9
202.06213	3.4
203.07013	6.7
205.08609	100.0
207.06583	2.6
213.05452	1.1
215.06996	1.8
217.08615	41.3
219.08231	1.8
219.10057	6.4
223.09627	2.3
233.07982	1.3
235.09647	32.7
247.07513	1.8
247.09691	6.1
248.08354	1.3
265.10733	35.3
269.07449	1.1
271.09616	1.6
291.10254	1.4
301.07050	1.0
307.09784	1.2
312.47437	1.0
315.08612	4.2
323.12704	2.1
328.05246	1.4
330.11014	5.1
331.11746	3.5
339.12350	2.3
343.11786	1.6
351.12256	3.8
353.10257	1.2
364.67242	1.0
369.13519	1.4
371.14786	2.9
383.14914	12.1
401.15994	18.2
598.21783	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.2865
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	0.9
55.05494	0.9
57.03422	0.9
65.03947	0.5
67.05489	1.4
69.03417	1.2
70.02932	1.4
71.04994	0.6
71.52579	0.6
74.02037	0.9
74.02439	15.6
79.05472	1.7
79.54403	0.4
81.03419	15.6
81.07063	1.1
83.04971	1.8
83.08628	3.6
85.02901	2.3
87.05592	25.3
88.03996	4.6
88.94723	0.4
91.05488	2.2
93.03393	1.3
93.07043	0.8
95.04983	5.4
95.08642	0.5
97.02887	1.4
105.07033	1.4
107.04926	2.6
107.08611	0.7
109.02859	1.6
109.06517	0.7
111.04443	1.2
111.08074	2.1
115.05502	0.6
116.03457	5.6
116.15685	0.4
117.07019	0.5
119.04974	1.2
119.08590	2.1
121.02868	1.7
121.06510	1.3
121.10154	0.9
123.04438	2.0
127.03860	0.7
129.06982	1.4
131.08565	1.7
133.06088	100.0
135.04396	2.2
139.03882	1.8
145.06473	0.6
147.04396	2.9
147.07921	0.8
147.11688	1.2
149.09653	0.7
151.03929	0.6
152.06198	0.8
157.06439	0.5
157.10136	2.1
159.04471	0.9
160.90457	0.5
160.91718	0.6
161.05977	1.1
163.03932	1.8
165.01854	1.2
167.07172	0.8
167.08537	1.0
169.10164	0.8
171.04553	0.5
173.02426	0.5
173.06015	1.8
175.03931	0.9
175.11137	2.6
177.01807	1.5
177.05537	0.9
181.05043	0.8
183.02933	0.6
185.09576	0.9
186.06732	1.1
187.03926	1.8
187.07574	0.8
189.01851	2.6
189.05423	0.6
191.03432	1.9
193.12251	11.3
195.02953	2.9
195.08093	1.8
197.05983	1.2
197.09601	1.4
198.06866	0.6
201.01872	0.6
201.05438	2.3
203.03426	2.3
205.01271	0.8
205.05063	0.5
207.02924	4.8
211.13426	0.8
213.05533	0.8
213.09111	2.5
215.03427	1.0
215.07008	0.8
215.10632	2.8
217.12172	0.6
219.02916	7.2
221.04581	0.6
223.07553	0.6
225.03952	1.5
225.09087	0.6
227.03490	0.6
229.05014	2.0
231.02878	5.1
233.04492	1.8
233.08078	0.5
237.03903	1.6
241.08588	8.8
243.02838	2.7
243.06624	0.7
243.07458	0.5
243.10181	9.0
245.04456	1.0
246.44373	0.5
249.03940	1.5
257.04529	2.1
261.03943	9.1
261.11224	1.4
267.15924	5.5
269.04501	0.9
271.06036	0.7
273.03970	4.4
273.11227	0.6
285.03882	3.6
285.16968	12.4
291.04935	2.1
297.03909	1.6
297.07584	1.7
299.05453	0.6
303.05020	2.6
309.07602	0.7
309.16879	1.8
315.05032	0.9
321.06018	2.4
327.04993	3.9
327.08624	2.0
339.07874	3.0
345.06143	1.1
351.08670	1.9
357.06091	0.7
363.07190	2.2
369.05478	0.6
381.09683	3.5
387.06985	0.7
391.21240	0.5
393.09601	2.3
405.08783	2.8
405.14178	0.6
409.09045	0.5
411.10623	1.2
417.15472	1.0
423.10196	2.1
429.11728	2.8
441.10849	3.8
447.10748	2.1
459.12811	3.3
483.12930	1.0
495.12924	1.4
507.12784	1.1
525.14014	1.4
543.14716	1.4
579.27539	0.7
597.22009	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.2294
Annotation	Unknow
Peak:m/z	Relative Intensity
53.47515	0.4
65.03947	0.3
67.05492	0.5
67.58147	0.4
69.84943	0.3
70.02972	1.7
71.51807	0.5
73.54236	0.3
74.02448	18.7
75.93732	0.4
79.05466	0.5
81.03434	1.7
83.04968	1.0
83.08614	0.6
84.54975	0.3
85.02917	0.6
87.05599	27.0
88.03995	4.1
89.03936	0.5
95.04962	1.1
98.02371	0.7
111.04398	0.5
112.87713	0.3
116.03458	5.9
117.03448	0.4
123.04446	0.4
129.07007	0.9
131.08586	0.6
133.06102	100.0
135.04439	1.6
137.06047	0.5
139.03922	0.7
139.28957	0.3
145.02876	0.7
152.14555	0.3
157.10152	0.6
163.03931	6.8
164.04285	0.9
166.67549	0.4
167.08626	1.3
168.75433	0.3
169.06470	0.5
169.10211	0.7
173.06010	0.5
181.06427	0.7
185.05960	0.8
185.09625	0.7
186.06813	1.4
187.07506	1.2
189.09137	0.3
193.12239	1.4
195.08051	2.1
197.06030	0.5
197.09625	1.0
212.04645	0.4
213.05478	1.0
213.09088	2.7
215.07062	1.0
215.10709	3.3
223.07549	0.6
225.00609	0.4
227.41582	0.3
231.02950	1.1
236.12741	0.5
241.08615	9.2
243.10165	6.6
259.09653	0.4
261.03979	0.5
261.11273	0.9
267.16000	1.1
273.11127	0.7
285.17038	1.9
287.05484	5.6
288.02878	0.6
288.05869	4.7
289.06073	4.5
385.30975	0.3
415.68915	0.4
459.12323	0.6
485.09268	0.5
539.13574	0.4
562.29962	0.5
597.17041	0.7
597.33527	0.8
613.69940	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.2301
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	1.1
55.05509	0.9
57.03435	1.0
61.02914	0.5
67.05504	1.7
69.03423	0.9
69.07047	0.5
70.02943	1.3
70.06593	0.5
71.52866	0.8
74.02444	15.9
79.05492	1.9
81.03420	14.4
81.03778	0.3
81.07059	1.3
83.04986	1.4
83.08616	3.6
85.02920	1.9
87.05593	24.3
88.04005	5.3
91.05492	2.4
93.03429	1.0
93.07036	0.9
95.04971	5.0
97.02901	1.3
103.03976	0.4
105.07014	0.9
107.04930	2.2
107.08624	0.6
109.02876	0.6
111.04445	1.6
111.08105	1.6
114.88440	0.4
115.77568	0.5
116.03478	5.4
117.07029	0.4
119.04919	0.7
119.08558	1.8
121.02859	1.6
121.06498	1.2
121.10123	0.9
121.17901	0.4
123.04435	0.8
127.03909	0.7
129.06995	1.5
131.08566	1.5
133.06091	100.0
135.04413	1.0
137.06058	0.5
139.03906	1.0
142.07864	0.6
145.06487	1.0
147.04417	1.9
147.08043	0.8
147.11636	1.5
149.09607	0.6
151.14911	0.5
152.06155	0.6
157.10078	2.4
159.04379	0.4
161.06044	0.9
163.03940	1.3
165.01865	0.8
167.07155	0.6
167.08560	1.1
169.10104	0.6
169.40048	0.5
173.02367	0.6
173.05995	1.6
175.11247	1.7
177.01912	1.3
181.04953	0.9
181.06416	0.6
185.09589	0.5
186.06815	1.4
187.03889	1.4
187.07564	2.0
189.01859	1.6
191.03406	0.8
193.12254	12.3
194.11583	0.5
195.02902	1.3
195.08086	2.0
197.05989	1.0
197.09543	0.8
201.05496	1.3
203.03448	1.1
207.02890	3.0
211.13324	0.7
213.05466	0.8
213.09114	1.4
214.06331	0.6
215.03438	0.8
215.10732	2.2
217.08609	0.4
219.03020	3.5
225.04066	0.6
225.09230	0.6
229.04947	1.2
231.02864	2.6
233.04494	0.5
233.08044	0.7
241.08606	7.9
243.02994	2.5
243.06602	0.6
243.10176	8.6
245.04410	0.9
255.02745	0.6
257.04517	1.3
261.03973	5.7
261.11203	0.9
267.15952	6.0
269.04501	0.6
272.87631	0.5
273.03900	2.0
273.11313	0.9
285.03964	2.0
285.16989	13.5
285.20258	0.7
291.04800	0.9
297.03964	1.0
299.05511	0.9
303.04913	1.6
309.07675	0.7
309.16925	2.6
321.06067	1.4
327.04987	2.0
327.08704	1.2
339.08264	2.3
351.08798	1.3
351.18100	0.6
363.07407	1.5
381.09665	1.8
381.92911	0.5
393.09247	2.1
405.08813	1.7
411.10605	1.0
417.15701	0.8
417.22403	0.6
423.09921	1.4
429.11600	1.7
441.11273	2.1
447.10678	1.2
459.12894	1.3
483.12915	1.0
495.12842	0.7
525.13647	0.8
543.15143	1.1
597.21997	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.218
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	0.9
55.01847	1.4
56.96557	0.7
57.03411	0.9
59.42183	0.4
61.02905	0.9
65.03928	2.8
67.05466	1.1
69.03098	0.4
69.03431	5.4
70.06577	0.9
71.04967	0.9
71.52826	0.5
71.53212	0.5
72.08132	0.8
73.02891	0.5
79.05484	4.8
81.03415	2.5
81.07050	0.6
82.04166	0.8
85.02435	0.6
85.02903	7.2
91.05455	2.2
93.03376	0.6
93.07054	0.5
95.04945	1.4
95.08590	0.6
97.02898	4.7
97.06522	0.8
98.97583	2.0
99.04405	0.5
103.05440	1.0
104.82435	0.4
105.07009	1.5
106.27592	0.4
107.04958	10.1
107.08567	0.4
109.02850	1.0
109.06542	0.4
110.03663	1.0
115.05438	1.9
116.06225	0.5
117.07022	2.3
119.08585	0.5
121.02855	0.6
121.06483	1.1
123.04420	3.1
124.05222	2.5
125.05955	1.1
127.03067	0.6
127.03915	4.6
128.06172	0.8
129.06984	1.5
131.04884	0.5
131.08537	1.5
133.06377	1.4
133.10130	0.8
135.04427	0.5
137.05983	1.0
138.03064	0.6
139.03883	0.5
141.06906	1.4
142.02554	1.0
143.04958	0.6
144.05702	2.7
145.06482	5.2
147.04407	1.2
147.07991	0.9
149.05940	0.6
151.03923	0.9
152.04700	0.8
153.05406	1.2
155.04865	0.7
155.05948	0.9
155.07031	1.1
157.06522	2.8
158.07265	0.6
158.99699	0.6
159.04398	1.0
159.08057	2.8
160.05264	0.5
161.05969	3.2
163.03877	2.0
167.07042	32.2
171.06483	0.9
172.05186	11.6
173.06027	3.8
174.06793	0.6
175.03845	0.5
175.07549	2.4
176.04694	0.6
177.00670	0.5
177.05470	1.9
177.09047	0.5
181.04958	35.0
183.04582	0.4
185.05974	1.4
187.07497	4.1
189.05458	2.2
189.09102	0.4
190.06219	1.5
191.06932	1.3
191.10725	0.6
193.04951	0.6
193.08592	0.9
195.06512	1.2
195.08601	0.9
200.04689	6.3
201.05431	3.9
202.00323	0.4
202.06218	1.0
203.03526	0.4
203.06976	1.2
204.07860	0.8
205.08566	3.4
206.05775	1.4
207.10141	1.2
209.08067	1.4
211.06032	0.7
213.05382	0.5
217.08560	2.6
218.05733	10.4
219.01764	0.6
219.06458	1.2
219.08131	1.1
219.10054	2.7
219.17326	0.5
221.08003	3.1
231.06415	0.8
233.08076	100.0
234.08537	1.0
235.07474	1.0
235.09630	1.6
237.00528	0.5
237.02904	0.8
237.08972	0.4
245.08098	2.4
246.06682	0.5
247.07605	0.7
248.08360	0.5
251.09117	2.3
253.08420	0.5
261.09152	1.0
263.09167	33.6
264.07681	0.6
265.10760	0.9
271.20554	0.7
277.08572	0.7
279.10162	1.2
281.10165	1.6
289.08603	0.7
291.06638	0.5
292.07416	1.0
293.07971	0.8
295.09457	0.8
296.10480	0.7
306.08618	0.6
307.09674	1.2
309.07278	0.6
311.09378	0.5
311.12741	0.5
319.11954	0.5
323.09067	1.0
324.09863	0.6
327.04883	0.6
327.12619	0.5
331.08157	0.7
335.09146	1.1
337.06982	0.7
338.11505	0.8
339.12317	1.4
346.10486	0.6
352.09311	0.6
353.10172	0.7
355.11713	1.0
367.11765	3.2
369.09631	1.2
371.15085	1.0
372.12228	0.7
381.13593	0.9
384.12079	1.6
387.14413	4.4
399.14365	6.3
401.16171	0.8
405.15210	0.6
417.15427	54.5
418.16428	0.6
419.16965	0.5
435.16574	2.5
517.09088	0.5
555.24811	0.9
592.24603	0.6
597.25012	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.2182
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	1.9
55.01858	1.3
55.76680	0.9
63.55189	1.0
65.03936	5.6
67.05505	2.2
69.03430	4.2
70.06612	2.2
70.57245	0.9
70.70136	0.9
71.52795	1.8
73.71082	1.0
79.05494	11.4
81.03407	4.2
81.07047	1.8
83.28359	1.2
85.02896	7.3
91.05479	4.6
93.03409	1.5
93.07050	1.3
95.04962	3.4
97.02908	5.7
97.06498	1.9
99.93710	1.1
103.05504	2.3
105.07051	1.8
107.04958	33.5
109.06568	1.8
110.03670	2.9
115.05461	3.1
117.03358	1.2
117.06996	5.9
121.02896	1.1
121.06506	1.2
122.03619	1.5
123.04430	3.7
124.05189	5.3
125.06004	2.8
127.03912	1.6
128.06187	1.1
129.07004	1.6
131.04915	2.0
131.08603	2.0
133.06471	3.7
135.04416	3.0
137.05972	2.8
141.07033	1.7
142.02640	1.4
144.05734	3.2
145.02803	2.1
145.06490	11.7
147.04449	2.0
147.08028	2.0
149.05981	2.3
152.04700	3.8
155.06044	2.3
156.05634	1.0
157.06526	4.1
159.04396	1.6
159.08026	2.4
161.05974	9.2
163.03899	8.2
167.07045	100.0
171.06529	3.5
172.05232	4.3
173.05956	6.4
174.06723	1.3
175.07526	3.4
177.05515	3.0
181.04961	76.2
185.05977	1.9
187.07558	6.0
189.05476	6.1
189.09093	1.2
190.06248	2.5
191.07010	2.5
191.10707	2.8
191.31415	1.1
195.06487	3.5
195.08850	1.7
200.04709	1.4
201.05504	8.3
203.07014	3.8
205.08559	10.3
206.05807	2.7
207.10083	2.0
211.07454	1.3
213.05392	2.0
217.08612	3.3
218.05719	7.8
219.06512	4.8
219.10216	4.5
221.06084	1.6
221.08067	11.8
225.71848	1.2
227.07260	1.3
231.06531	1.4
233.08080	54.7
235.07579	1.7
235.09650	22.0
245.08047	3.3
251.09164	14.5
255.01724	1.6
263.06873	1.7
263.09192	14.2
265.08499	1.5
276.07391	1.1
281.10303	5.0
287.05783	1.3
288.06030	1.2
289.06137	2.0
290.51047	1.0
295.09784	1.4
307.09634	2.0
309.07663	2.1
311.08835	1.2
323.09210	2.0
331.08099	1.8
335.09317	1.5
339.08887	1.2
339.12350	2.0
352.13403	1.4
355.11804	3.1
356.12238	1.1
367.11755	2.5
369.09903	1.7
371.14838	1.3
381.13379	2.5
387.14362	9.0
399.14313	9.7
401.16068	1.3
405.15234	1.9
417.15463	86.8
435.16418	5.7
597.23022	2.2
597.32123	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.1817
Annotation	6,8-Di-C-glucopyranosylnaringenin
Peak:m/z	Relative Intensity
55.01871	2.9
57.02277	1.2
67.05521	2.0
69.33729	10.1
70.06587	1.5
72.08166	1.3
74.02444	14.6
79.05492	2.4
81.03434	10.2
83.04963	1.9
83.08646	1.4
85.02921	5.8
87.05598	25.1
88.04000	2.9
91.05488	3.1
93.03420	3.4
95.04977	4.3
96.45362	1.4
97.02896	4.1
105.07034	1.5
107.04967	6.5
109.02908	4.8
111.04425	2.5
114.74670	1.2
116.03477	6.8
117.06941	1.2
118.96945	1.2
119.04935	3.3
119.47842	1.3
121.02847	6.4
121.06533	3.3
123.04450	3.6
125.71340	1.1
127.03909	1.6
131.04977	1.9
133.06096	100.0
135.04391	6.2
137.05898	1.5
139.03941	2.2
147.04416	9.9
147.07764	1.2
149.02396	1.8
151.03923	2.5
159.04442	2.7
161.02310	1.5
161.06018	2.7
163.03947	4.6
165.01869	1.8
167.07117	2.4
167.08594	1.9
170.75629	1.3
173.02347	2.8
173.05959	2.5
175.03961	2.6
175.11140	1.4
177.01857	6.9
177.05461	3.0
183.02921	1.3
185.05914	2.6
187.03844	2.4
187.07582	2.5
189.01842	9.4
191.03412	3.8
193.12256	5.0
195.02913	8.2
195.08141	2.3
197.05998	2.7
200.04648	1.3
201.01920	2.6
201.05482	3.6
203.03479	3.8
205.01344	2.7
205.04929	1.6
207.02913	14.9
213.05421	1.9
213.09097	2.1
215.03432	4.5
215.10825	1.6
217.01424	1.4
217.04965	1.4
219.02902	23.7
223.02403	2.3
224.04347	1.3
225.03990	3.3
227.03426	2.5
229.05038	4.2
231.02873	15.8
233.04504	5.8
237.03912	4.3
241.08588	17.7
243.02896	9.6
243.06583	1.4
243.10126	7.2
245.04477	3.7
247.06013	2.5
249.04037	4.4
257.04517	5.4
259.02289	2.1
261.03946	31.2
267.16040	2.1
269.04605	2.1
271.06113	2.0
273.03903	10.7
275.05307	2.2
283.05634	1.5
285.03976	14.2
285.16873	6.9
291.04953	6.1
297.03970	4.2
297.07455	2.6
299.05603	3.5
303.04974	8.6
309.04099	1.4
309.07437	2.3
315.04993	5.0
321.06100	6.1
327.04987	12.1
327.08755	5.5
339.08487	10.8
345.06213	3.7
347.74258	1.3
351.08664	5.4
357.05969	2.1
363.07159	8.9
381.09708	8.9
387.07297	1.6
393.09579	10.0
405.08704	11.6
409.09354	1.6
411.10806	3.8
417.09903	1.8
417.15326	1.7
423.10257	7.5
429.11902	8.8
441.11136	9.9
447.10767	6.2
459.12869	9.0
465.11481	3.2
477.11557	2.3
483.12830	4.4
495.12814	6.0
507.12622	3.7
525.13934	3.8
543.14844	5.9
597.21661	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	596.3275
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	10.0
55.01860	16.6
55.05511	23.8
56.96563	3.7
57.03442	27.7
59.04995	6.2
61.02922	13.3
61.06345	2.7
65.03940	6.1
67.05178	5.5
67.05508	70.7
69.03433	23.9
69.07069	61.5
69.50437	3.1
69.70556	9.1
69.70956	6.3
70.04068	8.9
70.06583	9.3
71.01350	10.6
71.02244	3.3
71.04998	27.2
73.02906	13.6
76.34876	2.8
78.24042	2.6
79.05495	63.4
80.06292	4.7
81.03426	27.8
81.07051	99.5
83.04989	18.3
83.08608	14.8
84.02126	7.2
85.02897	25.6
85.06547	7.1
86.09727	3.9
87.04446	3.9
87.32405	2.8
89.03925	3.5
91.03955	7.7
91.05484	66.2
93.07046	55.1
95.04979	32.7
95.08598	25.7
97.02887	51.7
97.06530	100.0
97.10163	6.1
99.04492	3.7
99.08089	11.6
103.03946	4.9
105.07030	34.2
107.04947	12.9
107.08606	30.5
109.02873	6.9
109.06527	30.8
109.10143	20.6
111.08083	16.3
113.05992	3.4
115.05445	5.1
115.07582	36.4
116.04709	8.8
117.07047	14.3
119.08585	16.8
121.06496	11.5
121.10134	17.3
123.08083	9.2
123.11722	9.8
125.09639	6.0
127.03932	11.3
127.07542	3.0
129.05490	16.1
129.07010	9.9
131.07048	8.9
131.08563	27.6
133.06525	6.2
133.10126	34.6
135.04417	6.4
135.08060	6.1
135.11725	8.1
137.06018	3.5
137.09691	3.4
137.13213	3.3
137.46494	3.0
139.03935	3.9
139.07552	11.4
143.08554	3.5
145.02811	5.3
145.06465	5.3
145.10110	12.7
147.08032	6.4
147.11659	13.2
149.09619	4.7
149.13242	16.2
151.07556	4.4
151.11168	6.8
155.08536	3.5
157.08800	3.5
157.10139	8.9
159.11699	13.4
161.09581	7.1
162.02689	3.2
163.03918	32.7
163.11165	5.8
164.04214	14.1
165.09192	4.1
165.12788	5.7
169.10193	3.5
169.12280	3.3
173.13219	3.1
175.11208	9.8
177.12744	10.1
185.11781	3.2
187.11241	3.3
187.13232	4.9
193.12251	9.8
194.12959	5.3
195.13788	5.8
197.11800	4.9
203.07118	5.6
205.12184	3.6
208.06041	3.2
211.13367	4.1
215.07030	4.6
217.15924	3.0
229.14337	5.3
241.08476	4.0
243.15948	11.8
255.15877	4.9
259.09671	11.2
260.09970	6.0
267.15964	5.6
268.16714	56.9
269.17474	56.5
273.18430	13.8
275.20123	4.8
287.05206	3.9
291.19553	4.9
297.17227	6.2
311.12732	5.3
337.14182	5.6
347.22183	3.8
349.23627	8.7
355.15417	5.1
365.23288	27.8
399.23865	25.3
452.75214	4.0
466.05365	3.2
596.27856	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	596.3278
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	11.1
55.01875	15.6
55.05311	2.5
55.05515	24.7
57.03437	25.7
57.07059	3.6
59.04996	5.1
61.02930	14.2
65.03935	7.6
67.05511	78.9
69.03432	23.7
69.06730	4.5
69.07072	64.0
69.38588	9.7
69.39015	10.3
70.04215	5.2
70.06573	6.6
70.57420	2.4
71.01344	9.4
71.04996	30.5
73.02931	15.9
79.05070	4.0
79.05498	63.1
81.03414	31.8
81.07059	100.0
83.04981	18.5
83.08609	16.2
83.33566	2.4
84.97205	2.4
85.02916	23.9
85.06538	11.0
91.03942	6.8
91.05486	93.5
92.05813	9.2
93.07050	59.0
95.04983	34.3
95.08618	33.6
96.05735	2.8
96.08149	2.8
97.02899	75.2
97.05921	4.0
97.06534	75.1
97.10158	8.4
99.04427	4.8
99.08111	9.0
103.03946	4.1
105.04526	3.6
105.07038	42.1
107.04972	15.3
107.08604	27.0
109.02882	5.1
109.06509	31.9
109.10153	22.9
110.06028	2.5
111.08086	13.9
113.06004	5.7
115.05463	5.4
115.07575	37.6
116.04749	4.8
117.07019	11.4
119.04909	4.4
119.08600	23.4
121.02849	4.9
121.06522	14.8
121.10174	14.4
123.04422	4.7
123.08080	7.8
123.11720	8.3
125.09644	8.0
127.03942	5.7
127.07486	4.1
129.05489	25.2
129.06973	12.1
131.07016	4.8
131.08565	20.1
133.06483	6.1
133.10124	24.1
135.04413	4.0
135.08070	15.4
135.11693	9.3
136.24586	2.6
137.09666	4.2
139.03889	5.3
139.07529	4.8
139.11137	3.8
141.06992	5.0
143.07039	7.8
143.08533	7.1
145.02792	4.0
145.10106	11.3
147.08044	5.7
147.11696	7.4
149.09595	6.5
149.13286	12.9
151.07512	2.8
151.11188	3.8
153.05502	2.9
157.08685	4.2
157.10083	5.5
159.08134	2.9
159.11711	14.5
161.09677	6.5
163.03879	23.2
163.07562	3.7
163.11194	3.5
164.04213	4.6
165.12729	4.1
169.10127	4.9
169.12291	3.7
171.11647	3.7
173.11732	5.6
173.13199	3.0
175.03838	2.8
175.11211	5.7
177.05466	4.7
177.12758	7.5
184.07326	3.5
187.11279	3.4
187.13261	5.9
191.07037	3.7
193.12209	7.4
194.12958	3.1
195.13812	6.8
197.11627	5.9
203.06998	5.0
211.13269	2.6
217.05075	3.8
217.15982	6.3
219.03798	3.0
226.10933	26.2
227.11211	13.4
228.11513	3.3
229.14333	5.2
243.15846	23.4
259.09720	4.7
260.10156	5.1
268.16684	47.4
269.17490	42.4
273.18460	19.1
282.30640	2.9
288.05862	3.3
289.18036	4.4
291.19482	5.9
297.16907	11.8
323.18463	3.1
347.22171	5.6
351.12030	3.3
355.15210	4.4
365.23276	30.4
390.16678	3.1
399.23831	11.6
596.21997	9.2
596.35089	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	596.3282
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03959	3.5
55.01878	7.4
55.05514	52.5
57.03443	16.4
57.07082	1.9
59.04998	6.6
61.02920	4.7
65.03938	2.5
67.05509	100.0
69.03424	6.7
69.07071	13.7
70.06586	1.5
71.01343	4.2
71.04989	6.1
73.02908	4.4
75.04443	1.5
75.91855	1.4
79.05073	2.4
79.05499	30.1
79.64572	1.4
81.03413	15.4
81.07060	37.4
83.04993	13.3
83.08624	20.7
85.02905	26.5
85.06551	4.2
87.04469	9.6
91.03973	2.8
91.05495	16.6
93.07047	17.2
95.04959	7.8
95.08609	14.2
97.02894	10.3
97.06555	8.5
97.10173	36.0
98.21565	2.6
99.04449	1.7
100.39260	1.4
103.03946	12.9
105.07021	5.9
107.04961	7.8
107.08590	18.4
109.06516	4.6
109.10162	78.3
111.04420	3.5
111.08098	6.8
117.07053	3.9
119.08601	9.9
121.06509	4.1
121.10155	7.5
123.08064	4.1
125.09641	42.4
129.07022	2.7
131.08554	3.9
133.06403	1.8
133.10085	2.8
135.08020	2.7
135.11668	8.3
137.09607	4.0
139.11124	1.6
143.10721	9.6
145.10156	9.3
147.08049	1.9
147.11612	1.7
149.09613	1.6
153.12726	11.2
154.72276	1.4
155.10654	11.7
159.10103	1.6
163.11176	16.1
173.09598	3.4
173.10123	2.5
173.11748	37.0
181.12265	9.2
182.01010	1.5
189.11166	2.5
191.10652	7.1
193.12268	4.1
199.13293	16.9
209.11710	17.8
217.14417	4.8
227.12784	20.4
229.14371	77.8
243.59813	1.5
245.13844	5.2
257.13861	57.9
267.15921	2.1
272.83261	1.6
283.15396	16.7
289.76514	1.5
301.16470	47.9
319.17523	9.4
375.78937	1.7
399.24057	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	595.4181
Annotation	Unknow
Peak:m/z	Relative Intensity
51.90044	0.6
55.05501	1.0
57.03436	1.0
57.07059	2.2
67.05502	1.3
69.22979	6.7
71.08635	1.9
75.92785	0.7
79.05474	0.9
81.07033	1.4
85.10187	0.8
93.07037	1.4
95.08602	2.3
105.06985	0.9
107.08559	0.8
109.10118	0.7
116.26831	0.7
119.08561	0.7
140.01491	0.7
146.76588	0.7
164.65732	0.8
283.15207	10.4
287.18814	0.7
313.27313	1.3
336.94302	0.7
339.17825	4.7
427.35788	0.6
467.45251	0.9
471.39218	0.8
514.21002	0.9
595.41748	100.0
596.42480	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	596.3278
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	1.5
55.01870	7.7
55.05513	42.5
57.03188	1.7
57.03441	18.5
57.07061	1.9
59.04993	6.0
61.02927	5.4
65.03928	2.3
67.05507	100.0
69.03421	4.9
69.07066	13.0
71.01347	3.2
71.05000	4.3
73.02914	3.1
75.04462	2.5
79.05499	23.5
81.03418	13.5
81.06593	1.7
81.07059	33.0
83.01355	1.4
83.04996	8.5
83.08626	23.9
85.02905	24.4
85.06535	3.7
87.04473	9.5
91.03955	1.9
91.05489	14.8
93.07048	17.3
95.04987	7.6
95.08613	17.5
97.02898	9.1
97.06527	5.0
97.10175	33.6
99.04449	1.8
103.03945	13.5
105.07024	6.7
107.04990	5.6
107.08604	19.9
109.06528	2.4
109.10162	79.4
111.04430	5.9
111.08073	6.2
113.06011	1.3
117.07021	4.3
119.08592	10.5
121.10176	5.3
123.08063	2.0
125.09633	42.7
127.04010	1.3
129.07007	3.0
131.08589	3.0
133.10103	2.3
135.11705	7.7
137.09607	5.2
139.11127	1.7
143.10678	9.3
145.10144	7.2
147.08090	1.9
147.11685	1.8
149.09619	1.3
153.12761	10.9
155.10683	8.6
159.06496	1.2
163.11195	14.9
173.09550	3.7
173.11743	40.7
181.12218	10.1
189.11237	1.7
191.10707	5.8
193.12227	3.0
199.13318	11.9
209.11787	14.2
217.14389	7.2
227.12782	19.0
229.14357	85.5
245.13866	3.8
257.13837	29.2
267.16058	2.2
283.15405	19.0
301.16470	49.8
319.17514	11.5
363.58020	1.2
399.23633	4.0
470.80884	1.1
595.99860	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.1661
Annotation	Datiscin
Peak:m/z	Relative Intensity
53.03948	0.3
56.96570	0.3
57.03442	1.4
61.02915	0.9
68.99793	0.4
69.03431	1.3
70.06604	0.4
71.04999	9.5
73.02903	0.4
75.04495	0.4
76.69088	0.3
79.05482	0.5
81.03413	0.7
81.07046	0.3
83.04981	0.8
84.08140	0.4
85.02912	12.4
87.04420	0.3
89.03912	0.5
91.05492	0.4
93.07068	0.4
93.09261	0.3
93.80274	0.3
94.44889	0.2
95.04996	0.4
97.02863	1.8
107.04939	0.6
109.02886	0.4
111.00828	0.7
121.02908	1.7
121.03677	0.4
121.06533	0.3
123.04454	0.9
127.03930	1.1
129.05481	2.7
133.02890	0.4
135.04483	0.7
137.02353	0.6
139.03883	0.5
145.02852	1.0
145.04973	1.1
146.98111	0.3
147.04422	0.7
147.06458	0.6
151.03940	0.3
153.01849	2.3
157.06438	0.3
161.06035	0.4
163.03923	1.8
165.01848	1.2
165.05553	0.3
167.06996	0.5
171.07678	0.3
175.03894	0.3
177.05423	0.8
177.65680	0.3
178.05865	0.4
181.04955	0.8
182.29492	0.3
183.02884	0.5
195.08904	0.5
197.06116	0.3
213.05470	1.1
215.07094	0.3
229.56853	0.4
231.06546	0.5
234.11331	0.5
235.11787	0.4
241.05046	0.7
246.35335	0.3
258.05228	0.9
259.05975	0.4
259.09671	0.4
269.04391	0.3
287.05515	100.0
288.05853	0.8
306.29767	0.3
416.14798	0.3
449.10849	0.6
595.21716	2.3
595.34180	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.3693
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	4.7
55.05513	22.6
57.07081	17.4
65.03926	4.2
67.05512	37.9
69.03433	13.6
69.07074	59.6
70.06594	5.6
71.04996	5.4
71.23090	3.2
71.52664	5.5
72.04512	3.4
72.79741	2.9
73.02910	2.6
79.05498	22.4
81.03420	12.1
81.07059	89.3
83.04998	5.1
83.08620	35.8
85.02907	27.5
85.06541	10.7
87.00838	10.7
89.03929	8.4
91.05484	75.4
92.05814	18.1
93.07038	32.2
95.04977	11.7
95.08617	89.3
97.02881	27.9
97.06543	27.6
97.10163	23.7
99.04459	5.6
99.08093	8.0
103.05508	3.5
105.01853	19.7
105.07042	12.2
107.04973	8.4
107.08601	35.7
109.02890	7.5
109.06538	3.5
109.10165	68.3
111.08083	8.9
111.11732	21.2
113.09642	7.3
117.03366	5.6
117.07011	4.2
119.04955	5.0
119.08580	8.8
121.10147	15.2
123.04442	10.9
123.11704	39.3
125.13293	17.3
127.03939	13.1
129.06956	4.5
130.04971	3.8
131.08598	6.3
133.10156	7.3
135.04393	16.0
135.11708	14.3
137.05989	5.7
137.13258	29.9
139.03922	4.9
143.08537	5.3
145.02853	10.8
145.05003	5.0
145.10143	5.2
147.04414	9.7
147.11647	3.8
148.06210	4.4
149.09599	4.5
149.13255	37.6
151.03911	5.2
151.14854	7.9
153.12805	3.9
155.14325	9.7
157.10114	4.2
159.11719	4.7
161.02374	4.9
161.05989	3.3
161.13329	3.3
163.03899	100.0
163.14847	9.0
165.05547	5.3
165.16446	8.2
167.07063	3.3
167.14357	20.3
171.11725	4.4
173.02344	5.8
173.06013	3.5
175.03941	8.4
177.05414	4.3
179.18015	5.6
181.04942	6.5
185.09512	4.1
189.05527	4.6
191.07014	4.9
193.19518	5.9
197.11758	10.0
198.40889	3.3
199.11325	2.8
205.19478	4.7
207.02971	3.9
207.06537	9.5
213.05489	3.8
213.09181	5.2
215.07100	11.5
226.10860	43.6
227.11223	32.4
231.05057	6.4
241.08633	3.2
249.06178	4.5
249.25870	6.6
259.09589	27.1
275.27298	19.3
287.05542	12.3
293.28406	49.4
311.29385	11.9
319.08121	7.5
346.62650	3.5
357.86249	3.6
383.29395	3.3
415.13916	7.1
558.20599	3.3
577.27075	5.5
578.66235	3.1
595.21606	20.2
595.35999	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	595.1661
Annotation	kaempferol-7-O-neohesperidoside
Peak:m/z	Relative Intensity
51.44751	0.1
68.99810	0.2
71.02676	0.3
85.02908	0.2
91.05446	0.2
97.02891	0.2
97.17905	0.2
105.06954	0.2
115.05501	0.2
119.04971	0.3
121.02853	1.2
123.04411	0.2
129.10237	0.2
135.04440	0.2
137.02339	2.2
137.03328	0.3
143.04904	0.2
147.62117	0.2
149.02342	0.4
157.06534	0.4
161.05969	0.2
163.03947	0.8
175.03905	0.3
175.07573	0.2
185.05974	0.6
189.05472	0.3
191.03293	0.2
195.02930	0.2
203.03343	0.5
205.04836	0.2
207.02847	0.3
213.05467	1.8
216.04187	0.2
217.05029	0.2
219.02954	0.2
229.04808	0.2
231.06546	0.7
241.04878	0.8
242.05777	0.2
269.04480	0.5
281.08072	0.2
283.05951	0.2
287.05499	100.0
288.05807	0.5
294.05200	0.7
295.06030	2.4
297.07303	0.3
307.06039	1.6
308.06775	0.5
309.07489	0.3
313.07040	0.3
320.07031	0.2
321.07565	0.6
322.08362	0.3
325.07065	2.4
335.09027	0.4
337.07071	1.5
338.07083	0.2
347.09354	0.3
349.07117	0.8
351.08627	0.8
355.08127	0.5
361.07077	0.6
365.09955	0.2
367.08130	0.2
373.06952	0.2
375.08652	0.3
379.08133	1.3
391.08115	0.7
392.80215	0.2
403.08282	0.6
409.09018	0.8
421.08978	0.8
427.10303	0.9
439.10373	0.7
449.10782	2.1
457.11267	2.6
475.12051	0.6
481.11368	0.6
499.12183	0.5
505.11780	0.3
511.12656	0.8
523.12292	0.6
529.13202	0.4
541.13062	0.8
559.14130	0.7
577.14893	0.4
595.16431	4.9
595.31268	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.1658
Annotation	Vicenin-2
Peak:m/z	Relative Intensity
57.03439	1.9
61.02917	2.0
63.50958	1.6
66.65560	1.7
69.24594	9.5
69.25019	5.9
85.02902	2.3
93.03394	1.8
96.66481	1.5
103.03885	2.1
119.04958	6.4
121.02873	28.6
145.02892	4.3
173.05862	1.8
177.01872	4.6
181.05054	2.5
187.03859	3.1
189.01823	9.1
191.03406	3.4
195.03030	2.5
199.03889	2.2
201.05614	2.1
203.03288	9.7
207.02928	5.4
215.03413	3.7
215.81723	2.0
217.05090	2.8
219.02914	5.6
229.04900	4.2
233.04544	2.7
267.06552	2.7
268.07285	5.4
279.06519	3.9
281.08041	5.2
283.06015	7.5
292.06671	1.6
293.07980	3.6
294.05225	16.9
295.06027	73.7
295.09427	4.2
296.06787	6.3
297.07492	8.2
304.07413	2.5
307.05978	46.3
308.03589	2.4
308.06766	14.6
309.07492	12.4
313.06989	4.7
317.08151	2.2
319.06009	4.9
319.09482	2.3
320.06845	3.9
321.07510	25.4
321.67535	2.0
322.08243	10.1
323.05566	2.9
323.09033	3.3
325.07062	91.9
333.07550	7.9
335.05536	2.5
335.09082	15.9
337.07047	59.4
337.11050	3.7
345.07520	2.7
347.09241	10.8
349.07040	32.2
351.04831	2.5
351.08658	19.6
355.08118	18.8
361.06900	15.3
361.10492	2.1
363.08606	7.1
365.10297	12.5
367.08124	4.0
373.06998	6.9
374.08484	2.1
375.08774	9.4
379.08154	47.3
385.07095	3.1
387.08505	3.3
389.10312	4.0
391.08142	27.6
393.10010	2.5
399.08490	2.2
401.10043	2.2
403.08124	25.9
409.09277	37.8
413.10422	3.1
415.08444	2.5
417.09644	2.7
421.09097	22.0
427.10321	34.4
429.09424	2.2
439.10269	24.6
445.10681	7.0
457.11301	100.0
463.10135	4.8
475.12308	20.0
481.11325	26.3
487.10178	4.6
499.12418	21.1
505.10941	4.4
511.12405	21.5
523.12378	24.8
529.13177	10.4
541.13342	26.9
559.14484	29.3
577.15668	14.5
594.99768	2.0
595.16327	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	595.1657
Annotation	Tricetin 3'-rhamnosyl-(1->4)-rhamnoside
Peak:m/z	Relative Intensity
50.41440	0.5
55.01861	0.7
55.05513	1.0
56.96558	0.6
57.03443	0.7
62.96134	0.4
63.21943	0.6
65.03932	0.6
67.05497	3.2
69.03429	1.4
69.07056	0.8
70.06595	0.6
71.04998	12.2
79.05481	1.3
81.03421	1.1
81.07059	1.1
82.51263	0.4
83.04959	0.8
85.02898	2.7
85.06548	4.4
89.03908	1.3
91.05479	1.5
93.07041	0.8
95.04981	2.4
95.08612	1.2
95.65861	0.5
97.02917	2.3
97.06532	1.6
99.04395	0.4
103.03934	0.8
105.07022	0.8
107.04965	1.2
108.59158	0.4
109.02866	0.7
111.04442	0.9
113.06019	2.8
115.05483	0.5
117.03362	1.6
119.04939	1.2
119.08635	0.6
121.06477	0.6
121.10110	0.5
123.04436	0.6
127.03896	0.7
127.07548	6.8
131.04909	0.6
131.07080	1.3
133.10094	0.7
135.04385	3.0
135.91429	0.4
145.02850	2.3
145.08606	25.7
147.04410	2.0
153.01790	1.1
155.07072	0.7
161.02385	0.6
161.05974	1.2
163.03897	14.5
165.05582	1.0
167.03458	1.0
167.07126	1.1
167.08603	0.6
173.02361	0.5
173.05991	0.6
173.08015	0.5
175.03865	1.0
177.05449	1.9
181.04965	3.6
185.09619	0.6
187.03897	1.1
189.05486	1.0
189.09094	0.5
191.07178	0.5
195.08101	1.0
200.04756	0.7
201.05518	0.9
205.04855	0.6
207.06581	1.6
211.03874	0.6
213.09145	0.9
215.03371	0.9
215.07170	2.7
217.04942	1.3
225.05536	0.6
228.04141	1.4
229.04962	1.5
233.04478	3.0
239.03459	1.0
241.08669	2.6
245.04488	3.0
246.05232	3.0
256.03665	1.8
257.04529	6.7
257.10190	0.6
259.09653	3.9
260.03192	2.0
261.03934	6.3
267.03003	0.9
271.06000	0.9
273.03955	19.0
274.04730	11.3
275.05368	0.9
275.11307	1.9
281.04428	0.6
285.03970	22.3
287.05469	1.6
295.06052	1.6
297.03955	1.5
298.04794	1.0
299.02493	0.6
299.05557	3.3
301.03339	0.6
303.05011	100.0
309.03992	0.5
313.03607	0.6
313.07059	1.6
315.05096	0.9
319.08142	2.0
323.05487	1.9
327.05023	15.2
341.06613	0.6
347.12418	1.3
351.05026	4.5
357.05991	0.7
369.06030	9.5
385.12747	0.7
387.07043	5.2
405.08206	9.9
415.13882	1.4
416.14749	3.5
505.85425	0.5
517.13409	1.2
559.14380	1.4
577.15656	3.1
595.16736	0.9
595.34839	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	594.3081
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05026	1.2
56.96574	0.6
57.07070	0.4
58.06590	0.4
60.07891	0.4
60.08167	7.0
67.05500	0.9
68.48838	0.3
69.07032	0.4
70.06576	0.5
71.07368	3.0
71.41409	0.6
72.08165	0.7
72.43497	0.3
81.07057	0.4
86.09708	12.8
91.00058	0.4
93.07043	0.6
102.92592	0.5
104.10744	100.0
118.92099	1.1
125.00056	0.6
136.93132	3.3
154.94170	4.6
162.94638	3.0
172.95277	2.5
177.95876	0.6
180.95732	11.6
184.07401	0.6
190.96246	0.7
195.96838	0.6
198.96799	21.1
203.97330	1.0
210.96793	1.9
216.97861	9.7
221.98383	2.9
228.97777	2.0
233.98468	0.4
236.98358	0.5
239.99471	1.3
251.99640	0.4
253.09769	0.4
254.99435	1.3
256.22620	0.5
258.04172	0.5
262.32458	0.4
282.04758	0.4
295.19354	0.7
313.20438	2.3
331.21613	1.1
419.18704	1.0
431.18768	0.4
437.19797	0.7
449.19577	2.3
475.21118	1.9
478.26019	4.6
534.28784	6.5
535.23529	0.6
576.46582	0.7
594.30804	18.1
594.40326	0.9
594.46368	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	594.3854
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	3.7
55.05517	14.0
56.96572	1.7
57.03429	8.2
59.05006	1.9
65.03940	2.2
66.57573	1.4
67.05508	23.0
69.03429	7.4
69.07063	6.8
69.75214	5.6
69.75633	3.0
71.04976	5.1
73.84486	1.3
77.03928	1.7
79.05496	22.3
81.03423	42.6
81.07058	18.7
83.04995	2.3
83.08619	15.5
85.02904	3.8
88.94544	1.6
91.05485	19.8
93.07055	13.2
95.04971	19.0
95.08603	11.4
97.02878	3.0
97.06531	5.3
97.10188	11.4
98.20766	3.0
105.07039	14.9
106.02914	6.3
107.04959	14.1
107.08590	13.4
109.06549	8.5
109.10186	8.6
111.04429	2.8
111.08066	3.6
115.05431	1.9
117.07008	6.3
119.08588	10.7
121.06520	8.2
121.10147	9.0
122.06020	1.9
123.04424	2.0
123.08051	2.1
125.09636	11.0
129.07039	8.3
131.04953	2.0
131.08554	8.6
133.06493	3.6
133.10114	6.1
135.08066	4.8
135.11732	2.1
141.06966	1.7
142.07748	1.7
143.08505	1.7
145.06447	4.9
145.10115	6.1
147.08049	2.1
147.11649	8.0
148.03938	21.7
149.09590	4.3
155.08543	3.1
157.10123	7.6
159.08054	2.0
159.11668	2.5
160.03929	2.2
161.09595	1.7
163.11227	3.6
167.10678	1.8
169.10016	1.7
173.13290	3.2
175.11160	6.4
187.11156	2.2
189.11238	6.2
189.12775	2.4
193.12286	10.0
197.13336	2.2
199.11087	1.7
202.05069	7.9
215.14305	3.9
219.13823	5.2
227.12514	2.3
229.14256	3.3
233.15425	4.9
237.12776	2.8
266.32715	1.6
267.15906	40.5
273.14804	5.5
276.01044	1.5
292.78668	1.7
293.17661	2.3
307.25830	1.7
339.23196	3.6
342.15244	2.2
349.21631	3.6
357.24258	2.1
367.22726	16.0
385.23657	24.7
403.24890	9.0
405.24429	2.6
441.26425	9.2
459.27435	100.0
477.28531	82.4
491.30206	10.8
509.30865	7.0
594.26807	35.6
594.36047	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	593.4203
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	1.7
54.44367	0.7
54.44684	0.6
55.01836	2.1
55.05510	6.5
57.07059	1.5
65.03915	1.1
67.05510	18.1
69.07076	6.5
71.08591	1.8
74.19434	0.6
76.56984	0.6
77.76955	0.7
79.05494	15.2
81.03428	5.5
81.07059	21.1
83.04939	2.0
83.08623	4.5
85.06539	0.9
85.10143	0.7
91.05483	25.7
93.07047	21.2
95.04988	5.5
95.08069	0.8
95.08615	12.9
95.09204	0.5
96.71290	0.6
97.06482	2.0
97.10113	1.2
97.82348	0.6
99.08080	0.9
101.98712	0.7
103.05453	2.0
105.04491	0.9
105.07037	40.9
107.04911	2.8
107.08595	14.7
109.06539	3.7
109.10163	8.7
111.08025	1.1
115.05430	1.0
115.70805	0.7
117.07014	6.4
119.04984	0.7
119.08581	21.7
121.06517	8.3
121.10159	8.5
123.08035	1.6
123.11667	1.3
125.09660	0.8
128.06174	2.0
129.06995	5.1
131.04031	1.0
131.04926	12.1
131.08580	9.1
133.05484	0.9
133.06491	16.4
133.10141	9.2
135.08044	4.0
135.11694	6.6
137.09616	1.0
141.06949	2.0
142.07762	1.3
143.08531	6.1
145.06506	5.7
145.10130	8.3
147.06969	1.1
147.08060	19.0
147.11694	37.0
149.09641	1.6
149.13257	6.6
151.11169	1.7
155.08562	4.8
157.06465	2.8
157.10130	5.2
159.08072	10.2
159.11696	5.6
161.09584	2.2
161.13223	2.9
163.11180	1.4
165.06906	1.0
167.08563	1.5
169.06403	0.7
169.10095	3.0
171.08061	5.9
171.11681	4.7
173.09634	21.1
173.11775	0.9
173.13251	2.6
175.11150	1.7
175.14822	1.1
177.12798	1.2
179.08549	1.5
181.10138	3.4
183.07948	0.8
183.11647	2.7
185.09671	5.4
185.13289	2.4
187.11150	6.1
187.14833	2.8
193.10112	1.8
195.11723	2.3
195.13786	8.0
197.09570	2.8
197.13264	3.6
199.11215	6.0
199.12761	0.9
199.13068	0.8
199.14827	6.6
201.12727	2.8
206.10881	0.8
207.11670	2.7
209.13377	1.0
211.11240	4.3
211.14935	0.9
212.11900	0.9
213.12859	1.3
213.14861	3.0
221.13261	2.8
223.11189	1.2
225.12700	3.8
225.16299	1.2
235.14789	2.1
237.16365	1.3
238.13666	0.9
239.14276	3.8
251.17949	1.0
253.15883	4.5
253.19504	2.8
259.20551	1.3
263.18030	5.4
277.15723	0.7
277.21680	8.4
279.17404	4.6
281.19009	100.0
282.19299	1.2
295.22675	1.8
313.27237	1.0
314.27667	1.1
352.77292	0.8
389.17578	0.9
403.19272	2.6
405.20627	1.3
417.20786	2.8
418.21530	1.9
419.22305	2.6
430.17624	0.8
431.17987	4.5
432.19254	1.4
433.24188	4.4
434.24643	0.9
444.19543	1.0
445.19980	8.3
446.21005	3.0
447.21738	4.7
457.30521	1.3
459.21732	2.3
460.22595	7.7
461.23581	8.3
461.29935	1.2
473.23517	2.0
475.32071	3.9
487.24857	1.4
489.26666	0.8
492.25104	1.3
493.33066	9.2
505.22156	4.5
533.25543	22.6
557.39832	1.5
575.41113	2.8
575.49396	0.9
593.27612	79.0
593.41077	4.1
594.27789	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	593.4203
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	1.7
54.44367	0.7
54.44684	0.6
55.01836	2.1
55.05510	6.5
57.07059	1.5
65.03915	1.1
67.05510	18.1
69.07076	6.5
71.08591	1.8
74.19434	0.6
76.56984	0.6
77.76955	0.7
79.05494	15.2
81.03428	5.5
81.07059	21.1
83.04939	2.0
83.08623	4.5
85.06539	0.9
85.10143	0.7
91.05483	25.7
93.07047	21.2
95.04988	5.5
95.08069	0.8
95.08615	12.9
95.09204	0.5
96.71290	0.6
97.06482	2.0
97.10113	1.2
97.82348	0.6
99.08080	0.9
101.98712	0.7
103.05453	2.0
105.04491	0.9
105.07037	40.9
107.04911	2.8
107.08595	14.7
109.06539	3.7
109.10163	8.7
111.08025	1.1
115.05430	1.0
115.70805	0.7
117.07014	6.4
119.04984	0.7
119.08581	21.7
121.06517	8.3
121.10159	8.5
123.08035	1.6
123.11667	1.3
125.09660	0.8
128.06174	2.0
129.06995	5.1
131.04031	1.0
131.04926	12.1
131.08580	9.1
133.05484	0.9
133.06491	16.4
133.10141	9.2
135.08044	4.0
135.11694	6.6
137.09616	1.0
141.06949	2.0
142.07762	1.3
143.08531	6.1
145.06506	5.7
145.10130	8.3
147.06969	1.1
147.08060	19.0
147.11694	37.0
149.09641	1.6
149.13257	6.6
151.11169	1.7
155.08562	4.8
157.06465	2.8
157.10130	5.2
159.08072	10.2
159.11696	5.6
161.09584	2.2
161.13223	2.9
163.11180	1.4
165.06906	1.0
167.08563	1.5
169.06403	0.7
169.10095	3.0
171.08061	5.9
171.11681	4.7
173.09634	21.1
173.11775	0.9
173.13251	2.6
175.11150	1.7
175.14822	1.1
177.12798	1.2
179.08549	1.5
181.10138	3.4
183.07948	0.8
183.11647	2.7
185.09671	5.4
185.13289	2.4
187.11150	6.1
187.14833	2.8
193.10112	1.8
195.11723	2.3
195.13786	8.0
197.09570	2.8
197.13264	3.6
199.11215	6.0
199.12761	0.9
199.13068	0.8
199.14827	6.6
201.12727	2.8
206.10881	0.8
207.11670	2.7
209.13377	1.0
211.11240	4.3
211.14935	0.9
212.11900	0.9
213.12859	1.3
213.14861	3.0
221.13261	2.8
223.11189	1.2
225.12700	3.8
225.16299	1.2
235.14789	2.1
237.16365	1.3
238.13666	0.9
239.14276	3.8
251.17949	1.0
253.15883	4.5
253.19504	2.8
259.20551	1.3
263.18030	5.4
277.15723	0.7
277.21680	8.4
279.17404	4.6
281.19009	100.0
282.19299	1.2
295.22675	1.8
313.27237	1.0
314.27667	1.1
352.77292	0.8
389.17578	0.9
403.19272	2.6
405.20627	1.3
417.20786	2.8
418.21530	1.9
419.22305	2.6
430.17624	0.8
431.17987	4.5
432.19254	1.4
433.24188	4.4
434.24643	0.9
444.19543	1.0
445.19980	8.3
446.21005	3.0
447.21738	4.7
457.30521	1.3
459.21732	2.3
460.22595	7.7
461.23581	8.3
461.29935	1.2
473.23517	2.0
475.32071	3.9
487.24857	1.4
489.26666	0.8
492.25104	1.3
493.33066	9.2
505.22156	4.5
533.25543	22.6
557.39832	1.5
575.41113	2.8
575.49396	0.9
593.27612	79.0
593.41077	4.1
594.27789	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	593.2757
Annotation	Unknow
Peak:m/z	Relative Intensity
51.10938	0.4
61.88521	0.4
70.65687	0.4
71.47160	0.4
74.15576	0.3
81.07041	0.4
83.64928	0.4
98.21537	0.9
148.75787	0.4
187.87746	0.4
257.42896	0.5
324.88858	0.4
335.75195	0.4
389.17715	0.7
401.17874	0.6
402.18228	0.8
403.19345	2.8
404.20102	1.3
405.20709	1.5
416.20023	1.2
417.16708	1.0
417.21304	4.4
418.21658	2.1
419.22342	3.4
430.17346	0.9
431.18262	8.7
432.19449	1.6
433.19101	0.7
433.24060	8.7
434.24811	0.8
444.19080	0.5
445.19962	10.0
446.20642	5.0
447.21759	5.0
459.21475	3.7
460.22614	12.4
461.23300	12.4
473.23529	2.7
474.24539	0.7
476.25812	1.2
477.26788	0.6
487.24747	1.1
489.26425	1.2
491.24777	0.9
492.25137	0.9
505.22055	6.2
518.23462	1.0
533.25482	47.5
534.25598	0.6
564.23987	0.7
565.28198	1.1
593.27576	100.0
594.27991	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.3533
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	2.8
55.01863	2.0
55.05518	16.4
57.07072	10.2
59.05009	2.8
67.05187	2.1
67.05511	28.2
69.03417	7.5
69.07070	53.6
70.63686	4.0
70.64050	4.4
71.04990	3.7
71.08616	2.4
76.79762	1.9
79.05496	15.8
81.03426	5.9
81.07061	100.0
83.08620	20.9
85.02903	10.6
85.06553	8.4
87.00842	5.2
91.05492	7.8
93.07049	40.0
95.04951	3.5
95.08608	69.4
97.02885	7.2
97.06540	9.3
97.10147	10.3
99.04424	2.5
99.08103	3.3
105.01871	6.0
105.07027	15.8
107.08589	37.3
109.02890	2.5
109.06542	3.8
109.10159	69.1
111.08076	3.1
111.11723	22.1
119.08600	10.8
121.06432	1.7
121.10158	25.6
123.04463	1.7
123.11715	72.5
125.13241	4.5
126.02329	2.1
127.03054	1.9
127.03886	8.4
133.10141	7.7
135.11688	25.5
137.13263	30.4
139.11182	6.5
145.04959	2.4
147.04428	2.0
147.11710	9.7
149.13260	30.1
151.14825	5.8
153.12753	16.3
155.14314	17.9
159.08018	2.0
161.13223	6.5
163.03937	2.8
163.14822	28.8
165.12762	5.1
165.16386	4.6
167.14342	5.3
175.14832	3.3
177.16412	16.3
179.17870	3.3
179.84026	1.8
181.15810	1.7
183.13873	2.6
189.00748	1.8
189.16397	6.8
191.17970	8.6
203.17949	6.9
205.19510	2.7
206.96330	2.0
217.19492	10.5
231.05000	2.9
249.05972	2.1
261.25745	4.3
273.25766	35.4
279.26801	6.9
291.26828	62.6
305.59583	2.0
309.28036	13.4
329.17560	2.4
381.27829	2.3
399.29083	3.3
407.04489	1.8
417.30002	2.0
438.87912	1.8
459.92438	2.3
503.29825	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	593.2756
Annotation	Pheophorbide a
Peak:m/z	Relative Intensity
59.49177	0.3
59.92702	0.3
63.65166	0.3
69.95326	1.4
118.29671	0.3
388.17059	0.4
389.17792	0.9
394.58078	0.3
401.17828	0.4
402.18378	0.6
403.19186	2.1
404.19901	0.4
405.20651	1.5
415.19559	0.5
417.16193	0.6
417.21454	2.6
418.21576	1.1
419.22284	2.9
430.17798	0.6
430.83658	0.3
431.18271	6.4
432.18542	1.5
432.24301	0.5
433.24219	3.8
434.24710	0.9
445.19949	5.6
446.20840	3.3
447.21765	4.4
449.23618	0.4
451.74731	0.3
459.21313	2.3
460.22635	8.2
460.29227	0.5
461.23239	7.3
463.21191	0.3
473.23727	1.5
476.26126	0.4
477.22379	0.5
487.24973	1.0
489.26688	0.4
491.24472	0.9
492.25049	1.1
504.22433	0.4
505.22101	5.1
518.23315	0.4
519.23798	0.9
533.25494	21.2
534.25934	0.4
561.24164	0.4
564.23358	0.5
565.28345	0.4
593.27576	100.0
594.27936	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.4983
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	2.2
55.05515	16.2
57.03439	11.5
57.06831	2.9
57.07080	39.8
67.05504	62.5
69.07069	15.2
69.30822	12.4
69.31234	3.9
71.08636	26.5
77.39168	1.7
79.05073	2.6
79.05497	31.7
81.06593	4.0
81.07059	72.0
83.08622	14.0
85.06523	3.1
85.10186	17.3
89.06023	3.7
91.05486	20.4
93.06477	4.0
93.07045	45.4
95.04947	3.1
95.08608	61.4
97.10149	9.7
98.20718	2.1
105.07020	15.9
107.08592	26.1
108.90588	2.1
109.10153	27.5
117.07044	5.1
119.08556	9.7
121.10130	16.4
123.08107	2.1
123.11711	12.8
131.08557	11.7
133.10138	12.3
135.11711	16.2
137.13257	7.5
145.10110	11.6
147.11670	6.5
149.13286	9.8
159.11693	7.8
161.13315	4.7
163.14873	3.9
173.13237	12.5
177.16400	3.5
187.14873	3.1
206.51820	2.0
222.64005	2.1
233.22505	2.7
239.23666	3.7
241.05815	2.0
243.21085	11.2
247.37697	2.3
261.22128	52.5
302.28665	2.0
313.27359	100.0
317.24789	9.1
328.51196	2.0
335.25781	73.3
499.45187	3.0
573.48718	27.5
591.38977	2.2
591.49500	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	593.1659
Annotation	bis-8,8'-Catechinylmethane
Peak:m/z	Relative Intensity
51.02377	0.9
53.03948	0.9
55.01877	2.0
65.03943	1.4
67.05508	2.6
68.99793	1.3
69.03423	1.2
70.06590	1.1
71.52831	0.9
72.01819	0.5
72.08133	0.9
77.03937	1.2
79.05486	2.1
81.03401	2.4
83.04972	1.3
84.08143	1.1
85.02908	1.4
91.05481	2.1
93.03406	0.8
93.07028	0.7
95.04971	5.5
97.02897	2.9
105.03388	2.3
107.04933	3.8
109.02900	4.1
111.04444	2.5
117.03367	1.3
119.04949	5.5
121.02845	1.2
121.06435	0.5
123.04429	84.2
127.03893	1.5
129.07025	0.6
131.04921	0.8
131.08591	0.6
133.02859	0.8
133.06514	0.9
135.04431	8.1
137.02335	0.9
137.05968	1.8
139.03905	100.0
141.06993	0.9
143.04916	1.4
145.02855	2.0
147.03236	1.0
147.04405	20.3
149.05949	0.8
151.03905	89.5
153.05499	3.0
160.98740	0.5
161.05963	5.9
163.03918	11.0
165.05499	13.9
169.04980	2.9
169.06340	1.0
173.05959	3.1
175.03941	1.8
175.07556	1.3
177.04001	0.9
177.05447	6.1
179.03470	0.9
179.07030	2.3
179.08403	0.6
181.04924	3.3
187.07607	1.4
189.05476	1.9
191.07060	1.0
193.04959	10.2
197.05965	1.7
201.05594	0.7
204.00829	0.5
205.08495	0.6
207.06508	6.7
215.07059	3.8
227.07021	0.6
229.08699	0.9
234.11220	5.0
239.07048	1.7
243.06534	1.7
245.04462	0.7
257.08035	0.9
267.06427	0.9
269.17731	0.7
273.07541	3.4
285.07553	7.2
289.07074	23.9
291.08627	33.4
301.03564	0.7
301.07068	21.5
303.08627	72.7
303.16476	2.8
401.10373	1.3
423.10742	5.5
435.10696	0.7
441.11795	14.4
453.11688	0.8
477.81348	0.5
593.24725	3.0
593.34149	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.15
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	1.9
60.39330	0.6
65.03943	0.8
67.05506	0.8
68.99795	3.5
71.02560	0.6
71.52246	0.9
72.08178	0.9
74.87187	0.6
79.05460	0.6
89.03896	1.0
97.02881	0.8
98.73895	0.6
107.04967	0.9
111.04464	3.5
117.03393	1.6
123.04438	12.2
127.03908	0.6
131.04900	1.4
135.04417	9.1
137.02385	1.2
139.03905	100.0
140.04395	0.6
140.07040	0.6
141.07004	0.8
145.02829	0.9
145.06555	0.6
147.04424	1.7
151.03932	4.4
152.06206	0.6
153.06992	1.3
157.06476	1.0
159.04472	1.3
161.06013	1.9
163.03912	18.4
164.04243	1.4
165.05525	1.0
169.06519	0.8
173.06001	0.8
175.03911	2.1
179.03398	9.3
181.04974	1.1
181.06465	1.3
185.05988	1.6
187.03908	3.2
189.05460	5.6
191.03465	1.0
193.04837	0.6
197.05998	1.4
201.05476	2.0
203.03346	3.0
209.05975	1.0
213.05507	3.3
214.83224	0.6
215.03374	2.5
217.04861	2.9
227.06967	1.2
229.04910	2.9
235.33420	0.6
237.05527	1.6
241.05029	2.7
245.04451	7.5
253.04910	0.8
253.10027	0.7
255.06541	5.2
257.04434	2.8
259.06024	6.1
264.42142	0.6
269.04443	5.1
271.05984	4.2
281.04520	0.9
283.06018	19.4
287.05530	14.1
291.08621	0.9
299.05496	8.4
301.07089	14.0
311.05444	1.6
411.10571	1.7
421.09195	16.6
421.14868	0.9
433.09363	0.9
439.10226	9.1
451.10449	1.2
501.69788	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	590.4633
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00271	1.0
53.03931	3.4
55.05513	8.2
57.03439	11.8
57.06797	1.6
57.07077	26.4
67.05504	16.4
69.03400	1.4
69.06789	0.9
69.07069	9.6
69.85101	2.2
69.85510	3.8
71.08244	1.1
71.08633	21.3
79.05159	0.9
79.05499	10.4
81.03418	58.1
81.07053	19.4
83.04958	2.5
83.08622	20.1
85.10178	12.1
89.05998	1.2
91.05488	11.7
93.07046	10.2
95.04967	15.1
95.08617	18.4
97.02897	1.1
97.06546	2.1
97.10173	4.9
98.21472	1.4
99.08008	1.0
103.07612	1.2
105.07034	10.6
107.04953	3.2
107.08598	4.8
109.06476	1.6
109.10149	8.9
111.08075	4.8
119.08572	9.0
121.06510	1.4
121.10128	5.9
123.08052	2.3
123.11709	2.6
129.06981	5.2
131.08534	5.2
133.06458	3.4
133.10127	6.0
135.11699	1.5
137.09607	2.1
142.07755	1.1
145.10062	1.4
147.08075	1.6
147.11707	5.4
149.09654	2.3
151.11133	1.2
157.10162	6.7
159.11668	1.1
161.13287	1.3
165.12741	1.7
175.11176	6.1
193.12259	20.9
239.23651	1.5
249.14857	2.6
259.20532	1.6
260.20786	1.6
267.15915	100.0
277.21613	5.2
278.21906	4.7
291.19431	1.5
295.22620	2.7
296.22998	3.3
313.27362	89.1
314.27692	2.6
334.24438	1.9
471.32462	0.9
505.38882	79.9
516.67987	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.4831
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	3.4
55.05516	17.6
57.03434	10.9
57.06829	3.7
57.07079	43.9
67.05511	42.1
69.07079	19.0
71.08634	36.7
71.52501	3.1
76.80306	2.3
79.05495	35.6
81.07061	48.2
83.08628	20.9
85.06548	3.6
85.10195	19.4
85.44131	2.4
89.06020	2.7
91.05486	52.6
93.06490	3.3
93.07047	45.0
95.04971	4.2
95.08612	39.3
97.06567	3.1
97.10159	7.6
99.08110	3.4
99.15043	2.2
102.93125	2.2
105.07040	54.6
107.08607	34.2
109.10160	15.0
117.07001	15.4
119.08588	50.5
120.55175	2.2
121.10175	19.2
123.08056	2.8
123.11701	5.6
126.72065	2.4
129.07011	10.8
131.08588	20.7
133.10152	39.7
135.11690	18.4
137.13284	2.8
143.08553	7.6
145.10106	15.8
147.11694	44.6
149.13214	12.5
151.11176	5.4
157.10083	7.6
159.11702	14.6
161.13266	34.1
163.14876	5.5
171.11729	11.2
173.13292	11.4
175.14784	12.0
179.14307	7.0
185.13261	11.6
187.14792	3.5
196.99405	2.8
199.14835	5.8
229.91103	2.5
231.21091	12.9
239.23697	5.9
241.19545	33.8
243.21004	2.4
249.11000	3.0
259.20590	100.0
277.21658	8.4
313.27359	92.4
315.23203	10.1
333.24271	56.1
334.24438	3.4
351.24936	2.6
382.39725	2.6
464.64114	2.7
497.43713	3.3
558.44232	2.5
571.47015	12.7
589.39734	5.0
589.48883	36.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.4829
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	5.2
53.84865	2.9
55.05518	21.4
57.03436	13.0
57.06828	4.7
57.07080	58.4
58.18863	3.0
60.21236	2.7
63.39558	2.8
63.41000	2.8
66.21349	2.8
67.05509	51.9
69.07066	26.6
69.49174	5.9
69.49568	19.6
71.05016	3.6
71.08623	38.7
77.03900	3.1
79.05499	39.0
81.03430	3.7
81.07059	60.3
83.04955	5.1
83.08627	20.5
85.10188	19.9
91.05480	63.0
93.07043	51.2
95.04975	7.1
95.08607	56.5
97.10178	13.5
99.08092	4.8
105.07032	62.4
107.08587	31.1
109.06537	3.7
109.10163	24.4
117.07040	16.9
119.08580	51.3
121.10194	14.0
123.07983	3.5
123.11738	5.9
129.07034	10.5
131.08556	17.1
133.10139	40.3
135.11664	25.8
137.09578	4.0
143.08578	8.9
145.10132	19.3
147.11682	44.0
149.09578	4.0
149.13261	12.5
157.10123	8.9
159.11674	17.0
161.13242	35.9
163.14857	4.6
165.12718	3.2
171.11739	13.2
173.13281	11.1
175.14809	20.5
179.14311	8.9
179.40262	3.1
185.13300	8.3
189.12709	3.2
199.14769	6.3
217.19362	4.1
231.21123	12.1
239.23683	8.0
241.19496	38.1
247.78645	3.4
259.20587	100.0
267.15942	4.7
277.21613	16.8
313.23669	5.0
313.27325	99.1
315.23245	8.2
333.24225	55.9
477.02316	3.3
571.47528	14.5
589.48590	34.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.1923
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	3.3
55.01870	3.5
57.03428	1.8
61.02910	2.6
61.61011	0.6
67.05512	0.9
68.99789	1.2
69.03436	11.8
70.06586	1.3
71.04984	2.0
71.53091	1.2
73.02904	2.5
78.12691	0.6
79.05492	3.1
81.03422	12.5
81.07045	2.1
85.02911	19.1
87.00835	8.9
89.03889	0.7
91.05479	5.6
93.07041	0.9
94.04181	3.8
97.02895	9.3
97.06507	0.8
99.04465	3.6
103.05463	3.9
105.01878	4.1
105.07027	3.7
107.04997	1.2
107.08580	0.9
109.02879	11.4
109.06519	2.4
109.10177	1.2
115.03903	0.9
115.05445	4.7
117.01868	1.5
117.07010	2.2
119.04920	1.0
119.08585	4.2
121.06511	0.7
121.26776	0.6
122.03657	8.4
126.63347	0.7
127.03933	13.9
128.06221	2.7
129.01849	0.9
129.07013	2.1
131.04913	8.1
132.05740	3.4
133.06494	2.7
135.04425	1.5
136.07590	1.3
137.05984	100.0
139.03905	1.3
141.07059	1.6
144.05708	0.7
145.04962	3.0
145.06548	1.7
146.03632	2.1
146.09650	0.8
147.02888	0.9
147.04417	1.3
147.08040	5.5
149.06015	1.5
151.03917	1.1
151.07544	1.3
155.04955	0.8
159.02866	5.3
159.08040	1.3
159.11569	0.6
160.05215	3.1
161.05998	13.1
163.03941	3.8
163.07559	15.8
164.04219	0.8
165.07027	1.0
167.07129	1.0
169.06470	1.2
171.08066	1.4
175.07562	63.4
177.05486	0.8
184.05220	2.2
187.07632	3.7
189.05589	1.0
189.09152	1.3
190.07899	0.8
191.08580	2.8
199.07570	17.1
200.25043	0.8
201.09113	2.2
202.07808	5.0
203.08557	10.6
205.06609	0.9
214.42169	0.7
218.07188	0.7
219.08113	4.7
220.08913	2.6
230.07346	1.0
231.05038	1.7
231.08073	14.0
232.08841	2.2
235.07712	0.8
235.11171	1.1
237.09155	0.8
247.07526	4.0
248.08319	7.0
249.09161	1.9
251.10693	4.2
257.04404	1.1
258.07010	0.8
259.07507	9.7
260.08209	3.7
261.09106	1.9
263.10669	7.5
265.08569	1.9
273.03995	0.8
275.07227	1.0
276.07870	5.7
277.08691	4.6
279.10239	2.3
280.10852	0.9
285.03937	1.0
291.10199	17.7
292.10956	4.8
293.08389	3.1
293.11392	1.0
295.13245	2.5
295.28491	0.8
303.04944	1.5
308.10471	3.1
309.11234	1.2
311.12753	10.9
315.10135	1.2
323.12787	48.3
325.14450	5.7
335.12869	1.2
341.13931	0.7
353.13901	0.7
589.26038	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.178
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	0.4
62.56506	0.2
63.02370	0.4
65.03928	0.7
67.05510	1.2
69.03428	0.4
69.04552	0.4
69.40643	0.9
70.06581	0.9
79.05491	1.2
83.05017	1.0
83.06097	0.6
84.11117	0.2
85.02891	0.3
86.09702	0.4
89.03918	7.3
91.05482	0.2
93.03389	0.3
94.53855	0.2
95.04968	4.8
97.02844	0.2
105.04488	0.3
107.04953	2.8
110.07172	0.4
111.04440	0.6
117.03380	10.3
119.04958	0.2
120.08115	0.4
121.02829	0.4
122.07141	0.7
123.04418	0.5
124.08714	0.3
127.03906	0.2
135.04413	17.2
139.03932	1.4
145.02847	14.5
150.06636	4.1
163.03900	100.0
164.04265	0.5
177.05469	0.3
178.06154	1.0
181.04913	0.8
194.08072	0.3
207.08769	16.9
209.10347	0.2
235.08263	7.5
253.09322	10.5
257.04526	0.2
299.05438	0.7
319.08237	1.2
337.09186	9.2
409.13757	1.1
427.14603	23.1
571.16736	3.2
589.17603	6.0
589.32666	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.1532
Annotation	Unknow
Peak:m/z	Relative Intensity
53.86573	0.2
55.05511	0.3
56.96550	0.2
60.87427	0.2
64.17088	0.2
65.03938	0.2
67.05496	0.3
69.03432	0.4
69.07079	0.3
70.06606	0.3
71.04140	0.2
71.52443	0.3
76.15788	0.2
78.88492	0.2
79.05485	0.4
81.07051	0.7
85.02914	0.4
85.36560	0.2
86.97929	0.2
91.05496	0.5
93.07054	0.5
95.04958	0.3
95.08623	0.6
97.02884	3.7
97.06525	0.4
105.07049	0.3
107.08627	0.2
109.10184	0.5
117.12463	0.2
121.02863	2.0
121.06517	0.2
121.10152	0.5
123.04495	0.2
129.13951	0.2
133.10184	0.3
135.04419	0.3
139.03918	0.8
149.00577	0.2
163.03978	0.6
169.19518	0.2
175.03625	1.1
177.05615	0.3
185.04239	0.4
206.17241	0.2
266.67593	0.2
293.06503	0.4
298.65527	0.2
302.06827	0.3
337.08649	0.3
349.08783	0.6
395.09515	0.3
403.07861	0.2
437.10519	9.0
447.37961	0.2
557.12842	0.5
589.15295	100.0
590.15918	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.1488
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17974	0.2
51.02378	0.3
55.05514	0.2
56.05028	0.8
59.52647	0.2
66.92113	0.2
67.05499	0.5
68.99799	0.9
69.07050	0.2
70.59552	0.2
78.03450	1.6
79.05495	0.7
81.03422	0.3
81.07050	0.4
84.04517	1.8
84.97505	0.2
85.01128	0.3
85.02915	0.2
86.02425	0.9
86.99053	0.7
87.00848	0.9
88.03993	4.1
91.05486	0.6
93.07051	0.4
95.04964	0.3
95.08610	0.4
96.04494	100.0
97.02924	0.2
97.04819	0.2
97.98300	0.2
98.20789	0.4
100.03976	0.9
105.07026	0.9
107.04974	0.3
107.08610	0.5
109.02883	0.5
109.06506	0.2
109.10179	0.2
110.02394	0.8
113.00563	0.3
117.07062	0.2
119.04926	0.9
123.00851	0.3
128.03459	2.8
128.06255	0.3
129.07001	0.2
130.04987	1.3
131.04930	0.2
133.06491	0.7
134.07253	0.5
135.02679	0.3
135.08179	0.2
136.07570	2.2
141.00055	0.6
146.04529	0.4
149.05977	0.5
154.97993	1.3
156.02931	2.4
159.01132	0.6
159.08069	0.2
168.99564	0.9
174.01607	0.2
174.04001	4.8
175.99318	1.2
177.00043	1.0
180.69141	0.2
184.05310	0.2
184.07368	0.2
187.00601	2.4
187.02142	0.2
190.00922	0.3
203.01530	0.3
205.03270	0.5
216.70750	0.2
218.00410	0.3
218.03964	0.2
233.02733	2.1
239.07025	0.2
245.99864	0.3
251.03772	0.4
252.07701	0.2
255.06648	0.2
257.08221	0.3
261.02191	1.3
270.08817	0.4
272.10431	0.8
279.03333	0.2
287.35413	0.2
303.06769	0.8
321.07898	4.7
398.10718	0.8
416.11630	32.0
581.29346	0.2
589.21594	0.2
589.30518	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.1489
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02374	0.7
53.03942	0.5
55.01856	0.3
56.05025	1.0
61.02910	0.3
64.75494	0.2
66.99714	0.2
67.05502	0.4
68.99786	2.3
70.85368	0.3
78.03448	2.8
79.05501	0.3
81.03451	0.3
81.07057	0.7
83.04980	0.3
84.04513	2.5
85.01116	0.4
85.02896	0.4
86.02443	0.8
86.99046	2.0
87.00827	0.9
88.04002	3.7
91.05487	1.4
93.07047	0.9
94.54386	0.2
95.04961	0.6
96.04495	100.0
97.02914	0.4
97.98258	0.4
98.99026	0.7
100.03973	0.6
105.07029	1.1
107.04953	0.6
109.02883	1.0
109.10178	0.4
110.02407	1.1
115.05365	0.3
119.04962	0.8
123.00773	0.5
123.04498	0.4
126.98584	0.3
127.03938	0.3
128.03452	2.7
128.06247	0.3
130.05035	1.1
131.04965	0.3
133.06526	1.5
134.07300	1.0
136.07585	27.8
140.99118	0.3
141.00037	1.6
145.06549	0.5
147.04462	0.4
149.06004	0.7
154.97975	3.2
156.02930	2.8
158.93571	0.3
159.01108	1.5
159.07988	0.3
163.02153	0.5
168.99564	3.3
174.01396	0.6
174.03993	4.6
175.99307	1.7
177.00066	1.7
183.86555	0.3
187.00610	6.8
187.01897	0.3
187.07475	0.4
190.00810	0.4
191.01740	0.5
202.00830	0.4
205.03224	0.7
218.00343	0.8
219.01071	0.5
221.15877	0.3
233.02687	3.1
243.04877	0.4
245.99767	0.3
252.07916	0.5
255.06520	0.5
257.08051	1.2
261.02237	1.7
270.08942	1.4
271.04358	0.5
272.10458	2.1
279.03122	0.4
280.00357	0.4
303.06787	2.4
321.07904	7.6
398.10599	1.8
416.11646	53.8
589.30688	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	588.4625
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	4.0
54.99946	3.2
55.01859	3.5
55.05518	15.1
57.03411	4.7
57.07063	4.0
63.60637	2.9
66.91499	3.3
67.05511	33.8
69.07069	34.4
70.63296	2.8
71.04996	3.1
71.07830	6.3
71.08199	4.1
71.08621	8.3
79.05495	40.0
81.03404	6.9
81.07059	32.9
83.04986	5.7
83.08632	8.1
86.76173	3.1
91.05492	33.6
93.07044	40.9
95.04946	17.0
95.08614	28.2
97.06519	9.8
97.10170	5.4
99.08084	4.2
101.03043	3.1
105.07045	31.3
107.04969	21.0
107.08589	25.8
109.06517	7.2
109.10169	8.9
115.05361	3.6
117.07006	10.1
119.08585	29.3
121.10151	21.8
129.06966	4.0
131.08577	12.3
133.10143	20.3
135.08060	18.4
135.11736	6.7
139.11186	9.3
143.08572	3.2
145.10143	11.9
147.11664	10.3
149.09579	6.9
149.13237	3.1
151.11220	5.0
157.10133	3.9
159.11703	5.0
161.13362	3.6
163.11223	8.7
173.13286	4.1
177.21289	3.3
179.14349	3.2
189.11316	3.4
203.12781	6.4
207.13866	4.6
223.13690	3.0
229.67467	3.0
237.14827	16.3
239.17737	3.3
257.19040	10.1
275.20090	100.0
277.21628	8.8
278.21805	5.1
293.21118	90.2
309.24390	4.4
528.55536	3.4
588.46954	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	588.1351
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03933	1.8
67.05183	1.4
67.05509	15.7
69.60078	4.7
70.06577	1.5
72.08146	1.3
78.10493	0.8
79.05492	1.1
80.12255	0.7
81.03418	1.3
81.07062	0.8
85.02895	2.5
91.05484	1.8
93.07035	1.3
95.04972	7.2
95.07365	0.8
95.08607	5.1
96.04480	0.9
97.02857	2.3
97.06518	1.6
98.20837	1.1
105.07032	1.1
107.01318	1.1
109.02860	2.3
110.06042	1.8
110.09666	2.1
112.98802	1.0
118.32239	0.8
119.08671	0.9
120.08073	2.1
121.06458	2.0
121.23395	0.8
138.05510	35.5
138.09145	21.4
145.10144	1.0
153.01776	2.5
155.04912	1.1
163.03886	2.7
166.05009	25.6
166.08647	45.4
171.04399	1.2
181.10217	0.9
184.05920	1.1
184.09697	2.0
201.05367	0.9
211.03908	4.4
217.05002	1.2
219.02888	2.0
221.05940	1.9
225.05423	2.9
226.10637	1.9
229.05032	4.5
236.05139	0.9
239.03365	2.4
239.06865	1.4
243.03108	1.2
245.04431	2.1
249.05580	1.2
253.04886	2.6
257.04446	33.0
260.03085	5.6
261.03888	7.8
263.01929	2.9
267.02933	2.8
267.06607	1.5
268.08191	2.8
268.11755	3.1
269.04749	1.0
271.01797	0.9
271.06003	8.0
273.03946	46.7
274.04602	4.8
275.05496	0.9
277.05029	1.9
281.04401	2.9
284.03134	1.1
285.03983	25.0
285.07422	2.4
286.12823	2.7
287.01761	1.8
295.06024	10.1
297.03870	4.7
298.04694	2.2
299.02344	1.5
299.05515	22.6
301.03287	1.3
303.04993	100.0
309.03967	1.9
313.07065	12.2
323.05496	14.1
327.05011	37.9
329.03320	1.0
341.06448	2.2
351.04996	27.2
357.06158	1.8
369.06058	82.5
387.07062	6.0
405.08087	2.3
534.10480	2.0
552.11066	5.6
570.12360	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	587.4109
Annotation	Unknow
Peak:m/z	Relative Intensity
51.54839	3.8
55.05506	16.1
57.03430	4.9
57.07077	100.0
58.04198	14.1
59.05000	35.5
67.05518	32.0
69.07056	10.8
70.00474	20.5
71.08240	6.8
71.08632	94.6
72.05776	23.3
73.02905	5.5
73.06550	27.0
79.05482	19.6
81.07065	27.7
82.07821	6.8
83.08610	9.8
84.90778	4.5
85.10182	92.5
87.04474	29.8
88.05218	5.3
88.07595	4.7
89.06041	36.1
90.01912	71.8
91.05483	15.0
93.07043	14.3
95.04974	8.4
95.08606	24.4
96.09436	4.8
97.06564	5.3
97.10165	18.7
99.88228	4.0
103.07593	20.2
105.07030	21.8
107.05002	4.5
107.08594	19.1
109.06483	5.2
109.10146	11.8
116.08393	5.6
117.07045	5.8
117.09122	19.3
119.08582	14.1
119.74718	4.0
121.10125	12.5
123.08021	6.4
125.09638	8.6
129.07028	6.8
131.08540	9.4
133.08594	18.8
133.10146	10.5
135.11653	4.8
138.14030	6.4
141.16368	6.7
145.10115	12.0
147.07903	4.9
147.10153	8.0
147.11690	8.8
149.09634	5.8
169.15845	7.2
173.13292	6.0
177.11214	10.3
178.07133	8.5
179.12726	6.9
198.19888	5.0
199.20630	10.1
208.15425	7.1
215.39116	4.5
222.09680	13.1
222.17033	5.6
223.13617	4.6
239.17455	4.3
252.17841	5.1
253.54797	4.7
259.20270	4.7
266.12485	5.2
266.19553	10.1
267.17978	6.2
268.17554	6.4
275.20044	7.0
277.21802	9.3
281.19073	4.7
282.18954	6.9
290.83588	5.1
291.19577	9.3
293.21143	16.4
295.22852	5.7
296.20602	5.5
312.19989	9.5
348.30966	9.7
372.18854	11.7
392.33197	4.5
436.36267	28.8
496.38550	9.3
569.41364	13.4
587.39252	9.2
587.47455	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	587.1398
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01587	0.2
51.02380	0.2
53.00310	0.2
53.03957	1.2
55.01867	0.2
55.05514	0.2
57.64614	0.2
65.03941	0.7
66.04719	1.2
67.05482	0.5
68.99786	0.4
69.03429	0.5
70.06602	0.3
71.52604	0.3
73.02899	0.2
77.03922	0.5
79.01863	0.2
79.05499	3.8
81.03426	0.6
81.07059	1.3
83.04991	0.3
83.58120	0.2
85.02909	0.5
91.05481	1.6
92.02653	0.4
92.05820	0.4
93.07056	0.4
94.04192	2.0
95.04960	1.4
95.08616	0.4
97.02894	0.8
97.06519	0.9
98.03683	0.3
98.97600	0.2
103.03925	0.2
105.03411	0.3
105.04508	0.6
105.07020	0.6
107.01303	0.4
107.04945	0.4
107.08597	0.2
109.02876	0.8
109.06508	1.9
109.10117	0.3
117.03361	0.2
121.02872	1.1
121.06431	0.2
122.03646	2.9
124.05246	0.3
126.03107	0.7
133.10100	0.2
135.04408	0.2
137.02328	0.4
137.05972	1.0
139.03902	0.3
139.07532	0.5
141.05521	0.2
145.10156	0.2
147.04388	0.5
153.01831	0.4
155.07050	3.1
163.03926	1.1
165.05478	100.0
166.05777	0.5
167.03418	0.2
171.11745	0.2
172.51436	0.2
175.03786	0.3
177.05518	0.3
183.06497	0.3
187.03899	0.7
189.05457	0.3
201.05469	0.6
205.04993	0.3
207.06538	0.3
211.03867	0.4
213.05385	0.3
215.03403	0.4
217.04901	0.7
225.07716	0.2
228.04161	0.7
229.04938	0.6
231.02745	0.2
233.04416	1.4
239.03430	0.4
243.02870	0.2
243.06650	0.2
245.04388	1.4
246.05191	1.4
256.03662	1.1
257.04459	2.4
260.03293	1.0
261.03946	1.4
267.02875	0.2
267.08743	0.3
269.04257	0.3
269.38315	0.2
271.05927	0.4
273.03958	7.3
274.04742	6.2
274.07352	0.1
275.05524	0.6
281.04422	0.5
285.03937	5.3
287.05533	0.6
295.06039	0.6
297.03915	0.6
299.05450	1.1
301.03497	0.4
303.04999	43.6
304.05273	0.4
313.03519	0.2
313.06998	0.5
315.04987	0.4
318.28326	0.2
323.05505	1.0
327.04987	3.4
351.05014	1.8
353.10068	0.4
369.06091	2.0
376.71420	0.2
387.07068	0.6
395.11292	0.6
405.08020	0.4
413.15628	0.7
504.55862	0.2
551.11896	0.4
569.12720	0.8
569.19971	0.5
586.41077	1.2
586.90271	0.7
587.13562	1.8
587.20844	8.4
587.30133	2.9
587.40198	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	586.4529
Annotation	Unknow
Peak:m/z	Relative Intensity
54.16032	0.9
54.61362	0.9
55.05506	1.4
57.07078	74.1
59.04746	1.3
59.05003	12.8
67.05502	1.7
69.07066	1.2
71.08634	73.2
73.06535	2.8
79.05501	1.5
81.07057	2.4
83.08618	3.7
85.09660	2.3
85.10185	68.1
87.04474	9.2
89.06034	100.0
93.07017	1.3
97.10143	1.4
97.41084	1.0
99.11742	7.6
103.07568	7.3
105.07042	1.3
107.07074	2.3
107.08573	1.2
109.06509	1.6
117.09119	4.0
119.08589	2.3
130.08658	4.2
131.07042	5.2
131.08559	1.2
133.08607	77.8
139.33089	1.0
141.16393	6.7
151.88287	1.0
175.09685	4.2
177.11224	40.9
186.38229	1.2
199.20578	8.8
219.68102	1.0
220.21037	1.0
221.13797	7.2
233.69742	1.1
239.14864	2.5
243.23273	6.3
265.16537	2.6
275.19913	1.0
276.20618	1.3
283.17499	3.5
327.20129	4.0
353.21719	2.5
363.94781	1.0
371.22699	26.1
375.23053	1.0
411.25928	5.1
415.25220	2.2
569.42523	6.6
586.45117	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	586.3223
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	9.1
54.21433	1.1
55.01868	10.2
55.05519	1.7
57.03448	6.4
61.02923	7.6
61.43401	1.0
67.05508	6.1
68.99790	3.1
69.03430	30.0
69.07075	2.3
69.83160	2.1
69.83578	3.2
71.04987	5.8
72.27401	0.9
73.02914	9.2
79.05482	3.9
81.03419	30.5
81.07059	9.5
82.03644	0.9
85.02908	100.0
87.00829	40.4
87.04486	1.4
91.03955	3.3
91.05479	4.2
93.07052	4.9
95.08615	8.0
97.02899	44.7
97.10177	4.1
99.04460	20.1
101.02406	1.3
102.81724	0.9
105.01871	54.4
105.07021	5.6
107.08578	5.1
108.04485	3.6
108.32095	1.0
109.02884	39.4
109.10175	9.7
111.04430	2.2
111.73844	1.0
115.03983	1.0
117.01855	3.6
119.08590	7.1
121.10152	4.6
123.11696	6.9
126.05517	3.4
127.03922	84.6
129.01872	4.7
131.08594	1.8
133.10173	4.8
135.11693	6.3
145.04967	44.5
145.10080	1.2
147.02902	3.2
147.11696	7.1
149.13298	5.5
157.10269	1.2
159.02899	25.3
159.11647	1.4
161.13255	10.6
163.14871	1.4
165.12817	1.1
171.02824	1.0
173.13266	1.6
175.14835	11.9
177.03909	1.4
179.14369	1.6
187.14857	2.7
189.03998	1.7
193.15927	2.1
201.16423	3.9
213.03984	5.4
215.18114	1.9
230.06604	1.5
231.05008	31.3
241.19450	1.5
248.07629	4.9
249.06079	8.8
255.21042	1.7
257.22635	54.2
266.08774	2.9
275.23709	43.4
285.22159	2.9
291.44864	1.2
303.23175	12.8
321.24295	8.3
337.14160	1.5
365.24799	1.6
383.25824	3.2
414.17844	1.4
423.21344	1.9
423.71921	1.0
459.26642	1.0
463.53210	1.0
469.25809	1.7
487.27197	5.0
505.27783	2.9
523.29376	1.2
533.27234	1.2
551.28503	11.2
586.28741	9.4
594.64374	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	586.1925
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02380	0.8
53.03952	3.1
55.01870	2.1
56.88153	0.6
56.96560	0.7
57.03426	2.2
61.02915	2.2
66.56809	0.5
67.05520	3.2
68.05859	0.6
68.65910	0.5
68.99794	2.1
69.03085	0.9
69.03434	12.6
69.07064	0.7
69.85150	2.2
71.04993	2.5
73.02917	2.1
78.03450	2.6
79.05498	0.9
81.03424	15.2
81.07065	1.4
85.02907	16.7
87.00825	6.6
87.04507	0.8
90.39481	0.6
91.03975	0.8
91.05476	1.3
93.07050	1.4
95.04984	1.0
96.04497	100.0
97.02897	7.8
97.75809	0.7
99.04475	4.5
103.03966	1.2
105.01873	4.1
105.07012	1.6
107.04951	3.1
107.08594	1.5
109.02893	17.8
109.10153	2.9
110.10449	0.9
115.05443	0.7
117.01868	0.7
117.07002	0.8
119.04936	2.7
119.08578	0.6
127.03926	15.9
129.01866	1.6
129.07008	0.6
131.08537	0.6
133.06509	1.2
134.07256	3.3
135.08058	4.0
136.07587	34.1
139.03885	0.7
145.04970	4.0
145.06520	1.3
147.02907	1.2
147.07954	0.6
147.11624	0.8
153.80174	0.6
159.02908	5.0
173.06012	1.0
180.77901	0.6
184.05162	0.8
187.06058	1.2
201.05458	4.3
231.04950	2.1
243.10155	5.1
338.13870	79.9
339.14447	0.8
433.96692	0.6
457.20309	0.9
458.20676	2.3
516.18768	0.7
585.28900	1.0
586.18976	9.3
586.29156	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	585.2882
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	0.4
60.18361	0.2
67.05491	0.5
69.35607	1.5
70.06607	0.4
72.08160	0.2
73.64678	0.2
79.05504	0.6
81.03405	0.5
81.07060	0.7
85.02898	0.3
91.05489	0.7
93.07039	0.6
93.94252	0.2
97.02893	0.6
97.06539	0.4
98.97563	0.3
104.43041	0.2
105.07007	0.6
107.08601	0.3
109.10162	0.3
119.08562	0.3
121.10149	0.4
131.08504	0.3
137.05853	0.4
139.03902	0.3
145.02870	0.3
145.10172	0.3
147.11710	0.3
163.03923	2.3
167.07111	0.3
185.04330	0.5
193.04988	0.3
203.05299	1.0
259.07727	1.2
261.03873	0.4
271.06161	0.5
295.15341	0.4
303.04932	0.8
309.16678	0.4
331.09964	1.0
349.19922	1.1
405.22479	0.3
423.23318	2.1
457.20422	3.9
471.21954	2.7
497.23752	0.9
585.28809	100.0
586.29285	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.2885
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05494	2.4
56.96547	1.1
57.03415	1.2
67.05507	10.0
69.03419	2.2
69.05376	0.9
69.07066	1.4
69.27779	4.8
69.28192	2.1
71.04983	2.7
73.02892	0.8
79.05484	2.2
81.03414	4.6
81.07070	4.6
83.01086	1.3
83.08626	1.4
84.04484	0.9
85.02892	2.3
91.05473	3.2
93.07042	2.6
95.04989	1.6
95.08595	2.8
96.01846	3.4
97.02804	1.5
98.21519	1.7
99.04417	0.8
104.10729	1.2
105.06993	1.3
107.08578	2.0
109.02843	1.1
109.10162	6.6
111.04375	0.8
117.06947	0.8
119.08545	1.4
124.12610	0.7
125.09573	1.0
127.03860	1.4
131.08531	0.8
133.10158	1.3
135.11655	1.4
137.09645	1.4
139.03723	1.4
139.38574	0.7
147.89832	0.8
157.04721	7.5
159.11726	0.8
163.03888	1.1
169.04820	1.1
171.02664	1.4
173.11748	1.5
183.76903	0.8
184.03442	4.9
184.07353	1.1
185.04213	22.5
201.03725	10.6
229.07437	1.2
259.07886	3.1
269.13675	1.4
275.07379	4.9
301.08890	2.3
317.08652	1.0
318.09167	1.3
331.09970	19.1
336.47321	1.0
337.16324	1.0
345.11584	4.1
359.13266	2.2
373.14633	2.8
383.24173	1.5
387.16232	1.1
401.17996	2.0
405.31339	1.0
413.17822	1.3
427.19257	0.9
431.18961	10.9
434.23312	1.0
441.28479	1.1
445.20596	1.2
457.20471	34.0
471.21594	1.0
481.82956	0.8
499.21494	47.9
551.27960	0.9
567.27759	6.0
585.28723	100.0
586.29102	1.5
601.31097	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.2882
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	2.0
56.02636	0.7
56.96547	0.9
57.03428	1.1
58.38776	0.7
61.02932	1.2
67.05507	9.9
69.03419	2.6
69.07068	1.4
70.23827	2.5
71.04980	2.8
73.02914	1.3
79.05496	2.8
81.03419	2.6
81.07050	3.2
83.01079	1.7
83.04974	0.8
83.25628	0.7
85.02892	1.4
90.51058	0.8
91.05470	3.1
93.07047	2.0
94.39094	0.7
95.04983	1.7
95.08588	2.1
96.01859	2.6
96.04479	1.6
97.02728	2.2
104.10744	0.8
105.07039	1.6
107.08606	2.2
109.02868	1.0
109.06551	1.0
109.10177	7.0
111.04447	0.7
119.08588	1.7
121.10157	1.1
121.48985	0.7
123.08018	0.8
127.03775	1.2
135.11711	1.2
137.09595	1.2
139.03792	1.6
155.10712	1.0
157.04713	7.6
163.03966	1.5
167.60579	0.8
171.02594	1.6
173.11798	1.8
183.02736	1.0
184.03473	6.3
184.07318	2.3
185.04221	27.1
193.12206	0.9
201.03735	8.8
229.14342	1.2
241.14186	1.0
245.06313	1.1
259.07935	2.1
269.13504	1.3
275.07401	6.7
301.08957	3.5
331.09998	20.9
337.16144	1.8
345.11514	2.7
349.81052	0.8
350.08136	1.0
358.89111	0.8
359.13348	2.1
373.14804	1.8
383.24509	1.2
385.18311	1.6
387.16156	1.6
401.17865	2.0
413.17740	2.3
417.17157	1.1
431.18903	9.0
445.20657	1.3
457.20486	27.6
481.20352	1.1
499.21512	43.3
553.29572	0.9
567.27448	7.0
585.28735	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	585.2883
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	0.3
55.01866	0.3
55.05504	0.8
56.96571	0.4
57.03411	0.3
65.53427	0.2
67.05492	0.8
69.03431	0.4
69.07070	0.3
70.06595	0.6
71.04995	0.3
71.38840	0.3
72.08155	0.3
78.66409	0.2
79.05481	1.2
81.03400	0.6
81.07053	1.1
83.04991	0.4
85.02917	0.8
86.09718	0.4
89.03915	0.3
90.73897	0.2
91.05493	1.0
93.07037	1.3
95.04977	0.6
95.08620	1.0
97.02906	1.3
97.06508	0.7
105.04524	0.3
105.07018	1.2
107.08611	0.6
109.02865	0.4
109.10162	1.1
117.03383	0.4
117.07029	0.3
119.08588	0.7
120.89587	0.3
121.06510	0.6
121.10144	0.7
123.04446	0.4
127.03865	0.4
127.95078	0.3
129.06979	0.4
131.08589	0.7
133.10141	0.9
135.04451	0.6
135.08028	0.4
137.05795	0.5
139.03917	0.6
141.07043	0.3
145.02846	0.8
145.10101	0.6
157.10155	0.5
157.57190	0.3
161.09657	0.4
163.03922	1.5
163.11201	0.4
177.05544	0.8
184.07356	0.3
185.04237	0.9
193.04971	0.5
201.03766	0.4
258.44748	0.3
271.05972	0.4
275.07468	0.4
295.15173	0.3
301.14227	0.3
309.16891	0.3
319.22137	0.4
331.10068	1.7
345.11404	0.5
349.19846	0.4
360.13177	0.9
360.63174	0.3
423.23538	2.6
457.20462	4.1
471.21844	3.2
497.23282	0.6
499.25107	0.3
567.29767	0.7
585.28821	100.0
586.29041	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.1453
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	1.0
56.96558	1.0
57.03426	1.1
61.02921	0.5
69.03418	1.3
70.06570	0.5
71.02682	1.2
81.03417	1.4
85.02905	5.0
89.03915	1.0
97.02878	1.4
98.97600	1.0
102.65306	0.4
109.02885	0.8
116.50157	0.5
117.03374	0.9
123.04440	0.6
127.03882	0.7
128.37955	0.4
135.04396	1.7
145.02821	1.5
147.04373	0.7
147.06369	0.5
153.01755	2.2
163.03900	10.0
164.04214	0.5
171.04384	0.6
177.05481	0.8
211.03906	2.2
212.09428	0.5
215.03348	0.6
217.04874	0.8
218.05461	0.5
219.01607	0.5
219.02945	0.6
221.05904	0.9
225.05481	2.1
229.04973	2.3
237.00618	0.7
243.02795	0.7
245.00754	1.0
245.04507	1.2
247.06117	0.6
253.04967	2.1
255.01781	1.0
257.04437	19.8
257.07132	1.1
260.03152	4.5
261.03928	5.9
263.01917	1.3
267.02847	1.6
269.04419	0.8
271.02875	0.7
271.05997	6.5
273.03934	100.0
274.04672	4.1
277.04733	1.3
281.04425	2.6
284.03131	0.6
285.03976	14.9
285.07492	1.6
287.01846	0.9
287.05521	0.8
293.04492	0.6
293.08887	0.7
295.06009	4.2
297.03851	2.9
298.04596	0.9
299.01981	2.7
299.05463	24.6
301.03540	0.6
303.04984	70.1
304.05243	0.8
311.05548	3.0
313.03622	0.7
313.07059	9.6
315.05026	0.5
321.03247	1.4
323.05463	4.3
325.03497	1.0
327.04996	40.5
339.05020	17.0
339.08127	0.3
341.06506	2.4
351.05014	12.2
357.06055	22.5
357.10480	1.1
369.06061	18.7
387.07108	21.9
405.08167	39.8
407.12225	1.2
423.03549	0.9
423.09183	11.9
435.09030	2.0
447.05750	0.7
465.10306	5.1
489.10049	2.1
519.11395	2.8
531.11346	0.6
549.12152	2.0
567.13196	3.2
585.14404	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	585.1244
Annotation	Quercetin 3-(6''-p-hydroxybenzoylgalactoside)
Peak:m/z	Relative Intensity
53.03941	0.2
55.21987	0.2
56.96583	0.2
63.02375	0.6
69.03439	0.2
69.06290	0.1
69.53287	0.7
76.08372	0.1
79.05499	1.5
81.03418	0.3
81.11214	0.2
85.02889	0.7
87.59985	0.2
89.03918	10.1
91.05477	0.4
93.07063	0.2
95.04964	0.3
97.02903	0.4
98.20799	0.3
103.05456	0.2
107.01304	0.2
107.04958	2.4
117.03387	10.6
121.02876	0.4
135.04420	18.9
139.03879	0.2
145.02852	14.9
147.04408	0.3
153.01814	0.3
163.03908	100.0
164.04266	0.2
167.03412	0.2
171.04486	0.2
181.05005	0.2
186.05544	0.3
187.03992	0.8
201.05432	0.3
204.04236	0.2
205.04976	0.4
211.03903	0.3
215.03392	0.6
217.04935	1.0
225.05542	0.3
228.04172	1.1
229.04964	0.5
231.02940	0.7
232.03934	0.2
233.04469	1.8
239.03340	0.4
241.05093	0.2
243.02876	0.5
244.03598	0.2
245.04494	1.7
246.05223	1.9
247.06064	0.2
249.03906	0.6
256.03665	1.9
257.04544	2.5
258.05319	0.2
259.02219	0.3
260.03162	1.4
261.03967	1.7
265.06976	0.4
267.02829	0.2
269.04520	0.3
271.06003	0.4
273.03946	11.8
274.04727	8.5
275.05453	0.6
279.05124	0.2
280.03760	0.2
281.04449	0.7
285.03940	5.4
287.05536	1.3
295.06049	0.9
297.03925	0.5
298.04712	0.4
299.02454	0.2
299.05411	1.1
301.03516	0.5
303.04993	58.4
304.05423	0.4
309.03922	0.4
313.03552	0.3
313.07068	1.0
315.04999	0.3
323.05588	1.1
327.04944	4.6
333.06018	0.2
341.06628	0.7
345.06042	0.4
351.05005	2.3
357.06030	1.2
369.06015	2.6
387.07184	2.3
405.08167	9.5
423.09253	7.0
464.41162	0.2
529.26678	0.2
531.09314	0.2
549.10022	0.4
567.10730	0.3
585.12341	3.4
591.55518	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	584.1978
Annotation	Unknow
Peak:m/z	Relative Intensity
50.29803	0.1
54.95946	0.1
58.64165	0.1
65.03925	0.2
67.05526	0.1
69.03439	0.3
70.01753	0.5
70.06582	0.1
79.05500	0.1
91.05492	0.2
97.02898	100.0
98.03247	0.2
98.20795	0.1
105.07060	0.1
111.04436	0.1
111.39864	0.1
115.54175	0.1
121.02876	10.5
123.04478	0.1
124.81443	0.1
133.02867	0.3
139.03954	0.1
151.03903	2.1
153.05531	0.2
163.03972	0.3
171.04245	0.1
216.91649	0.1
217.04974	8.8
230.49164	0.1
235.06017	4.5
249.27698	0.1
253.07097	2.9
360.20493	0.1
422.26007	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	585.1243
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	0.6
56.03473	0.3
63.02375	0.8
65.03945	0.5
67.05522	0.5
70.06586	0.6
70.76836	1.0
72.08150	1.0
79.05474	1.8
81.03419	1.1
81.07061	0.8
85.02894	1.7
89.03922	10.9
91.05486	0.5
93.07051	0.8
95.04975	1.2
97.02883	1.3
105.07036	0.5
107.01321	0.5
107.04960	3.1
109.02895	1.2
117.03380	12.3
125.31324	0.4
129.07014	0.5
131.08604	0.6
135.04420	22.6
138.05460	0.5
145.02853	16.7
145.04005	0.8
145.10036	0.4
151.03906	0.6
153.01822	1.2
157.29926	0.4
163.03908	100.0
171.04507	0.6
171.11794	0.6
173.13324	0.7
175.03954	0.6
181.05016	0.7
183.04437	0.7
185.13182	0.5
186.05556	0.5
197.05972	0.5
201.05484	0.7
211.03920	2.8
219.02866	1.6
221.06013	1.0
225.05493	1.6
229.04987	3.2
239.03412	1.2
243.02835	0.5
243.06480	0.5
245.04488	1.1
249.11205	1.3
253.04950	0.5
255.02896	0.4
256.03775	0.6
257.04462	23.3
260.03171	3.8
261.03949	2.9
263.02005	2.0
267.02951	1.4
267.06485	1.2
268.65851	0.4
269.04498	1.1
271.05984	4.9
273.03946	30.0
274.04684	3.8
277.05005	1.3
281.04498	1.3
285.03931	11.4
285.07501	2.5
287.01813	0.7
295.05951	4.6
297.03864	3.7
298.04684	1.8
299.02045	1.1
299.05472	11.0
301.03491	0.6
303.05002	79.1
309.03812	1.1
311.01974	0.6
311.05307	0.7
313.07056	5.0
317.12384	0.5
323.05444	4.8
325.03424	1.1
327.05008	15.1
339.05048	3.4
341.06631	1.5
351.05020	10.7
357.06125	4.2
369.06064	39.1
380.01086	0.5
387.07083	6.4
399.21286	0.5
405.08176	23.1
423.09277	4.3
518.04816	0.6
567.11444	1.5
585.11938	0.9
585.24402	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.4156
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	12.1
55.05506	18.9
55.77668	5.4
55.94505	5.3
57.07074	21.2
59.70565	5.1
65.77807	6.2
67.05509	39.7
69.07076	28.5
70.78858	13.9
71.04977	7.1
78.12368	5.4
79.05500	40.1
81.07060	49.9
83.04987	5.6
83.08627	14.9
85.06535	10.3
91.05485	61.3
93.07043	77.9
95.04976	16.2
95.08624	46.3
97.06524	9.6
105.07033	93.5
107.08600	62.2
109.06528	15.7
109.10161	37.0
111.08075	7.7
115.05463	8.2
117.07022	26.8
119.08588	99.6
121.10149	80.5
123.08115	10.8
123.11752	10.7
125.09687	8.0
128.06215	15.1
129.06998	17.2
130.07776	11.2
131.08578	40.6
133.08669	7.2
133.10118	49.5
135.08057	7.5
135.11670	23.0
137.09647	14.3
141.06969	13.9
142.07782	25.4
143.08566	46.4
145.10120	62.1
147.08070	10.7
147.11694	22.2
149.09615	14.0
151.07538	10.6
155.08568	15.1
156.09344	21.2
157.10155	57.0
158.10896	8.3
159.08063	13.0
159.11697	29.2
161.13315	5.4
165.07025	10.1
165.09155	14.5
167.08606	15.4
167.10672	62.5
168.09335	8.4
169.10136	33.1
170.10851	7.8
171.11674	37.3
173.13234	30.7
175.14850	13.7
179.08565	18.2
180.09354	8.5
181.10165	11.4
181.12169	10.2
182.10919	13.9
183.11661	28.2
185.13255	13.8
187.14890	10.1
189.12730	10.5
191.14325	6.6
192.09225	8.0
193.10150	16.3
194.10831	10.2
195.11717	26.7
197.13351	14.9
199.14827	18.1
203.14330	6.9
207.11685	16.3
209.13309	35.6
211.14891	13.3
217.15874	15.9
219.11713	9.9
221.13309	14.8
221.15408	30.1
223.14743	7.3
224.15567	6.3
225.16498	9.8
233.15417	13.6
234.14095	5.8
235.14841	10.4
237.16389	7.5
239.17871	8.4
241.95775	5.8
246.14116	5.9
247.14833	14.3
249.16290	8.5
257.19006	12.0
260.15662	7.0
261.16364	7.4
262.17264	6.0
265.19656	11.8
272.15543	6.6
277.19458	9.0
279.17206	5.9
283.20560	17.7
331.24060	8.6
349.25287	8.3
375.26678	6.8
547.39661	6.1
565.40125	24.6
570.77167	6.6
583.41455	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.4151
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	5.2
53.66931	1.5
55.05518	19.3
57.07079	17.8
59.04988	4.0
65.03946	4.5
67.05510	27.0
69.03436	7.1
69.07071	25.2
71.08633	5.7
73.05939	1.9
79.05499	29.5
81.07063	42.9
83.04991	8.5
83.08624	14.1
85.06548	7.8
85.10186	3.5
87.04489	3.6
89.06038	8.4
91.05486	51.0
93.07052	69.1
95.04981	13.9
95.08615	39.1
97.06541	9.5
97.10159	1.7
103.05466	5.5
105.07037	81.7
107.04975	4.1
107.08603	59.7
109.06535	11.9
109.10160	28.6
111.08091	4.1
111.11727	3.6
113.09679	2.4
115.05484	6.3
116.06198	3.0
117.07009	19.0
117.66610	2.0
119.08589	100.0
121.06508	7.6
121.10146	75.8
123.08037	12.3
123.11718	10.8
124.55976	1.9
125.05995	2.9
125.09654	6.4
128.06215	17.9
129.07005	16.5
130.07790	8.8
131.08578	41.1
133.06517	2.8
133.08620	4.2
133.10141	49.2
135.08057	8.6
135.11703	20.8
137.09647	13.6
139.11195	4.0
141.06982	9.8
142.07802	23.8
143.08571	52.5
144.09322	7.1
145.06418	2.1
145.10129	60.4
147.08090	11.8
147.11697	21.4
149.09621	14.7
149.13258	3.9
151.07600	5.5
151.11093	2.0
153.07030	2.9
154.07794	5.3
155.08574	19.5
155.10686	4.1
156.09358	15.4
157.10149	66.6
158.10878	11.1
159.08101	6.7
159.11713	32.5
161.09648	8.3
161.13278	9.4
163.11209	7.9
165.07042	6.7
165.09122	15.1
166.07806	5.7
167.08585	11.4
167.10683	49.7
168.09360	9.5
169.10136	30.9
170.10985	9.1
171.11694	35.5
172.12556	3.0
173.09700	4.1
173.13272	34.5
175.11201	7.0
175.14825	12.9
177.12761	2.0
178.07913	1.8
179.08566	19.4
180.09335	7.6
181.10117	19.8
181.12277	5.8
182.10898	10.9
183.11716	34.4
184.12524	6.5
185.09715	2.6
185.13258	21.2
187.11290	3.4
187.14839	9.6
189.12791	6.2
189.16344	3.3
191.08524	3.6
191.14337	12.4
192.09407	5.2
193.10193	16.1
194.10873	11.3
195.11679	21.9
196.12509	7.4
197.13275	24.6
198.13998	2.8
198.34309	1.8
199.11232	3.1
199.14847	33.3
201.12810	2.4
201.16467	6.7
203.14426	6.3
205.10196	6.6
205.15854	2.5
206.10928	10.7
207.11787	20.5
207.13663	2.7
208.12521	8.4
209.13293	32.3
209.15123	1.5
210.13977	3.7
211.11313	3.7
211.14780	14.4
213.12773	3.6
213.16325	5.0
215.14359	4.5
217.10184	3.6
217.15877	21.0
218.10973	3.3
219.11803	9.6
219.17426	3.3
220.12476	8.7
221.13274	21.0
221.15453	27.6
222.14072	5.5
223.14871	20.4
224.15735	3.0
225.12787	2.1
225.16461	7.9
227.14410	4.2
227.17960	2.5
231.11745	7.8
231.17313	2.2
232.12428	2.3
233.13260	8.7
233.15442	20.9
234.14009	2.6
235.14902	12.6
236.15492	2.7
237.12801	3.3
237.16493	9.9
239.14413	2.5
239.17995	5.1
241.15926	3.0
243.11839	2.3
243.17369	2.6
244.12535	3.1
245.13321	5.8
246.14139	7.7
247.14856	10.5
247.17085	3.9
249.16400	12.5
251.18015	7.0
253.19507	3.2
255.17412	2.4
257.13266	2.9
257.19043	8.2
258.14047	3.8
259.14807	4.6
260.15634	4.4
261.16345	9.8
262.17270	2.0
263.18018	7.7
265.19617	9.0
269.19080	4.9
271.14902	3.6
273.16382	5.6
275.17719	10.6
277.19601	8.1
279.17792	2.1
281.19165	4.3
283.20575	16.6
285.18863	2.8
285.21866	2.1
287.17831	3.9
289.19669	5.1
291.21231	3.6
295.20755	3.8
299.20313	3.5
301.19437	2.9
303.21152	2.9
307.20596	2.5
321.22189	3.5
329.22589	2.8
331.24298	5.0
335.23822	2.8
343.24179	3.5
347.23685	3.2
349.25323	7.6
359.23669	2.7
361.25299	4.3
365.24597	2.9
375.26767	3.2
379.26337	2.1
409.28638	2.3
427.30103	2.1
491.35083	5.1
547.39880	2.7
565.40405	14.6
583.41467	92.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.4156
Annotation	Diadinochrome
Peak:m/z	Relative Intensity
51.54995	1.1
53.03942	2.4
55.05508	8.1
56.35263	1.1
57.03450	1.5
57.07082	6.7
59.04992	2.6
67.05505	12.0
69.03454	2.9
69.07074	5.5
69.20414	8.8
69.20829	2.6
70.16145	1.1
71.08627	4.3
78.80967	1.4
79.05492	10.1
81.03388	1.2
81.07061	14.7
83.04994	2.4
83.08631	4.7
85.06519	1.3
85.10204	2.4
91.05482	17.0
93.07050	24.8
94.56134	1.2
95.04984	3.7
95.08611	22.9
97.06552	2.2
97.10143	2.1
98.21579	2.1
98.98513	1.5
103.05513	1.8
104.11940	1.2
105.07030	29.3
107.04957	2.6
107.08595	13.5
109.02853	1.5
109.06519	3.4
109.10157	9.2
111.08076	1.9
113.06012	1.1
115.05483	1.6
116.07080	1.3
117.07034	4.0
119.08582	23.3
121.06546	1.3
121.10154	17.9
123.08074	13.4
123.11755	2.9
128.06242	3.7
129.07022	4.3
130.07805	1.4
131.08566	12.3
133.06529	1.9
133.10152	17.0
135.08093	6.0
135.11705	4.7
137.09631	8.0
141.07019	2.1
142.07782	5.9
143.08583	10.9
144.09317	2.2
145.10126	15.4
147.08052	13.1
147.11720	5.1
148.77705	1.1
149.09674	3.1
151.07559	13.2
151.11174	1.3
155.01089	2.4
155.08583	5.5
156.09332	7.0
157.10139	18.7
158.10924	1.8
159.08070	2.9
159.11682	10.9
161.09671	3.6
161.13274	5.2
163.11186	3.5
165.07051	1.9
165.09113	25.3
167.08626	3.8
168.09373	3.1
169.10205	9.7
170.10878	2.0
171.08112	1.4
171.11726	10.6
172.12390	1.4
173.09636	2.1
173.13261	8.5
175.14821	2.1
179.08598	4.4
179.10768	1.8
180.09389	2.0
181.10149	4.9
181.12190	1.2
182.10965	2.8
183.11719	7.0
185.13249	10.0
187.14859	2.8
189.12782	4.0
192.09338	1.8
193.10147	4.1
194.10875	2.5
195.11603	7.7
196.12537	3.1
197.11760	1.6
197.13287	6.7
199.11148	1.6
199.14833	1.6
201.16458	1.3
203.14290	9.9
206.10934	1.4
207.11789	6.1
207.13849	4.2
208.12515	1.5
209.13220	9.1
211.14906	5.2
213.12804	1.6
213.16362	1.1
217.04962	1.2
219.11649	2.7
220.12679	2.1
221.13287	5.6
221.15338	37.6
222.14137	1.8
223.14873	3.8
224.15741	1.4
225.16405	2.7
231.17627	2.1
232.12549	2.0
233.13263	2.9
235.14885	3.9
237.16354	3.1
239.14311	1.4
239.18015	2.8
246.14102	1.3
247.14996	3.4
249.16473	3.3
250.17410	1.4
251.17999	2.1
253.19531	1.7
257.19104	2.5
259.14899	2.0
260.15674	1.6
261.16385	2.2
263.17987	2.9
265.19568	3.6
269.19073	2.1
271.14786	1.7
275.17978	2.6
277.19611	1.9
279.21088	3.0
283.20663	3.0
286.19354	1.6
287.20422	2.4
289.19397	1.7
295.20706	3.5
297.22266	3.2
299.14755	5.8
341.30435	7.0
349.25482	2.1
352.23993	1.8
357.25851	2.7
365.24799	2.5
375.26898	4.9
375.56390	1.4
385.28766	2.1
403.29962	8.0
503.35352	3.7
509.34177	2.4
547.39960	2.8
565.40442	31.4
583.41504	100.0
613.26654	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.4145
Annotation	Unknow
Peak:m/z	Relative Intensity
52.37164	0.9
53.03944	4.2
53.78341	1.1
55.05516	11.5
57.07081	7.0
59.04994	2.6
60.39842	0.9
65.03953	1.9
66.17416	1.0
67.05506	18.5
69.03421	5.4
69.07070	14.3
69.21080	2.7
69.21497	7.8
71.04975	1.1
71.65236	0.9
74.32696	1.1
74.39181	1.0
77.03927	1.9
79.05493	20.9
81.07056	26.0
83.04984	6.5
83.08614	7.2
85.06544	5.0
91.04909	1.5
91.05482	30.9
93.07044	41.3
95.04972	8.8
95.07990	1.5
95.08604	25.0
97.06536	4.5
97.10159	1.4
103.05470	3.7
105.04519	1.5
105.07032	56.7
107.08592	37.1
109.06518	7.5
109.10170	16.4
111.08101	2.2
111.11732	1.5
113.09682	1.7
115.05453	3.6
116.06232	1.2
117.07015	13.7
119.08586	61.1
121.06503	4.3
121.10147	43.7
121.11037	2.5
123.08051	12.7
123.11730	6.1
125.06033	2.1
125.09599	2.0
128.06226	9.3
129.07011	12.0
130.07814	5.2
131.08566	26.3
133.06532	2.2
133.10130	31.4
133.53006	1.0
135.08083	5.2
135.11681	11.0
137.09612	8.7
139.11186	3.0
141.06992	7.7
142.07774	15.9
143.08572	27.9
144.09337	5.6
145.06523	1.3
145.10132	42.0
147.08080	8.2
147.11691	11.7
149.09628	8.5
149.13261	3.7
151.07545	11.5
151.08719	1.5
151.11218	1.6
153.07021	2.9
154.07768	2.6
155.08572	12.5
155.10568	2.0
156.09367	13.4
157.10138	42.9
158.10957	6.0
159.08066	4.5
159.11693	20.0
161.09587	4.9
161.13293	6.8
163.11206	6.2
165.07037	5.3
165.09120	14.5
166.07813	3.6
167.08566	8.9
167.10681	25.5
168.09372	5.4
169.10139	22.2
170.10870	6.3
171.11708	21.7
172.12517	1.5
173.09639	3.7
173.13243	19.2
175.11157	2.2
175.14807	8.1
178.07826	1.5
179.08557	9.4
179.10760	1.6
179.14287	1.2
180.09358	5.6
181.10114	12.6
181.12236	4.2
182.10944	4.6
183.11700	20.4
184.12514	3.7
185.09654	1.5
185.13251	14.6
186.10439	1.2
187.11134	2.1
187.14870	6.8
189.12730	6.7
191.08571	2.4
191.14310	6.4
192.09381	3.0
193.10146	8.8
194.10896	9.3
195.11713	17.5
196.12544	4.5
197.13268	17.5
198.14021	2.2
199.11224	2.8
199.14828	11.0
201.12756	2.1
201.16412	4.7
203.14369	6.4
205.10089	2.0
205.15907	1.8
206.10928	5.5
207.11732	14.1
207.13821	5.4
208.12488	5.9
209.13268	19.7
209.15222	1.4
210.13989	4.4
211.11224	1.9
211.14810	10.0
212.15562	1.8
213.12767	1.2
213.16467	4.4
215.14301	2.6
217.10196	3.4
217.15880	6.8
218.10936	1.6
219.11699	6.2
219.17508	1.6
220.12491	4.9
221.13271	12.6
221.15416	22.3
222.14059	3.7
223.14812	14.8
224.15587	1.7
225.12881	1.5
225.16440	4.0
227.14342	2.4
227.17995	1.8
229.15926	1.4
230.10968	1.5
231.11740	4.0
231.17522	2.6
232.12453	4.5
233.13243	8.0
233.15439	9.9
234.14053	4.3
235.14830	9.6
236.15601	2.2
237.12874	1.5
237.16406	6.9
239.17998	4.2
241.15965	1.4
243.11723	1.3
244.12463	1.6
245.13321	4.3
246.14119	4.2
247.14880	6.7
247.17093	1.6
248.15588	2.5
249.16385	6.8
250.17162	1.9
251.14281	1.3
251.17876	5.6
253.19653	1.7
255.17372	2.0
257.13324	2.7
257.19104	4.1
258.14017	2.2
259.14880	4.8
260.15659	3.9
261.16382	7.9
262.17239	1.5
263.14554	1.2
263.18045	4.5
265.15945	1.8
265.19553	6.4
267.17633	1.5
269.19046	3.4
271.14676	2.0
271.20651	2.3
272.15710	2.3
273.16385	4.6
274.17175	1.8
275.17911	8.5
277.19635	3.0
279.17584	1.2
279.21045	2.5
281.19028	3.2
283.20572	12.0
285.18936	1.3
286.19489	1.8
287.17770	2.1
287.20520	1.3
288.18692	1.9
289.19501	4.9
291.17554	1.4
291.20996	2.1
293.19098	2.3
295.20593	4.8
297.22070	1.9
299.20438	1.9
300.21033	1.6
301.19223	2.5
303.21198	2.0
307.20572	2.0
315.20908	1.5
317.22537	1.4
319.20593	1.1
321.22089	1.2
323.23767	1.4
329.22824	2.6
331.24301	3.8
335.23810	2.6
347.23874	2.6
349.25375	4.5
357.25711	2.4
361.25494	2.0
365.24829	1.4
373.25079	1.5
375.26904	3.6
385.28540	1.3
403.30087	4.6
427.29901	1.3
473.35101	1.2
491.35092	3.1
509.34357	1.8
547.39331	2.8
565.40399	19.7
583.41449	100.0
584.41705	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.4147
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02366	2.7
53.03947	4.1
55.01850	1.3
55.05512	16.5
57.07073	9.4
59.05002	4.5
65.03938	4.2
67.05502	24.5
69.03439	7.6
69.07069	21.9
77.03916	2.0
79.05496	25.0
81.03442	1.6
81.07057	32.5
83.04978	7.8
83.08620	10.0
85.06547	8.4
91.04900	1.8
91.05480	49.5
93.07047	56.3
93.07641	2.8
95.04974	11.5
95.08606	35.7
97.06523	5.4
98.20760	3.8
99.08133	1.3
103.05490	5.0
105.04537	1.5
105.07030	73.1
107.04987	2.1
107.08598	46.8
109.06543	6.8
109.10153	19.9
111.08076	3.0
113.09618	1.7
115.05441	6.9
116.06246	2.1
117.07018	17.1
119.08582	77.8
121.06539	4.8
121.10141	43.3
123.08080	13.1
123.11694	6.6
125.05984	4.6
125.09657	1.8
127.24974	1.1
128.06232	11.3
129.06993	17.5
130.07732	6.6
131.08568	35.9
132.09361	1.1
133.06522	2.8
133.10135	36.2
135.08076	11.4
135.11674	16.4
137.09616	10.5
139.07584	1.2
139.11205	2.1
141.06981	12.7
142.07780	28.3
143.08563	43.6
144.09344	8.0
145.10123	55.1
147.08051	16.4
147.11674	14.3
149.09593	8.4
149.13329	3.9
151.07530	12.8
151.11212	1.4
153.07033	3.6
154.07800	5.5
155.06012	1.6
155.08577	17.5
156.09340	20.5
157.10127	51.4
158.10907	8.6
159.08115	4.7
159.11687	28.7
161.09651	6.1
161.13252	6.2
163.11182	8.1
163.14844	1.3
165.07005	9.2
165.09125	24.9
166.07857	3.5
167.08572	10.8
167.10684	13.7
168.09340	8.8
169.07901	1.4
169.10124	33.3
170.10919	8.2
171.08066	1.6
171.11696	31.8
172.12416	2.0
173.09686	3.0
173.13255	23.5
175.11252	4.5
175.14819	8.1
177.09132	1.9
177.12814	2.2
178.07805	2.2
179.08539	14.5
180.09369	7.0
181.10144	15.2
181.12178	6.4
182.10912	8.5
183.11676	29.7
183.13181	1.9
184.12518	5.3
185.09689	2.7
185.13255	17.9
187.11211	3.5
187.14851	7.8
189.12775	5.2
191.08708	1.3
191.14323	11.3
192.09402	5.0
193.10124	14.1
194.10902	11.0
194.14902	1.2
195.11684	22.2
196.12506	5.6
197.13248	20.6
198.13957	2.9
199.11171	2.8
199.14822	18.1
201.12781	3.1
201.16422	2.3
203.08601	1.5
203.14288	11.5
205.10161	4.9
206.10878	9.8
207.11739	19.4
207.13803	6.5
208.12411	8.0
209.13257	27.6
209.15198	2.3
210.14108	4.5
211.11243	1.5
211.14833	11.3
213.12811	3.7
213.16435	4.5
215.14366	2.7
216.09358	1.4
217.10185	3.7
217.15823	11.7
218.10953	2.7
219.11624	9.9
220.12445	6.7
221.13287	17.4
221.15436	51.6
222.14111	3.9
223.14787	16.4
224.15671	3.1
225.12848	2.8
225.16429	4.9
226.13564	1.4
227.14299	2.7
229.10222	1.9
229.15889	1.8
231.11694	7.7
231.17416	1.6
232.12520	5.2
233.13277	12.5
233.15442	4.7
234.14055	4.0
235.14844	12.2
236.15642	3.4
237.12822	1.4
237.16319	8.2
239.14198	2.2
239.17989	4.6
241.15945	1.8
243.11754	3.0
244.12473	2.7
245.13327	8.9
246.14079	5.6
247.14778	11.6
247.16856	1.6
248.15620	2.4
249.16409	11.2
250.17216	2.0
251.18069	5.7
253.15895	1.5
253.19482	1.5
255.17555	1.8
257.13272	3.6
257.18964	10.2
258.14212	2.0
259.14871	5.7
260.15588	5.1
261.16302	9.7
262.17303	1.3
263.18021	7.5
265.19595	9.2
267.17563	1.7
269.19040	3.6
271.14877	3.3
271.20566	1.8
272.15622	2.7
273.16470	5.5
274.17148	1.5
275.17874	15.7
276.18759	2.5
277.19611	3.7
279.17899	1.7
279.21152	3.2
281.19006	2.6
283.14877	1.6
283.20514	16.7
284.15823	1.7
285.16275	2.2
285.18976	1.6
287.17688	2.4
287.20380	2.4
288.19147	1.5
289.19711	5.6
291.21121	2.7
293.18970	2.3
295.20505	3.5
297.22107	3.2
299.17850	1.8
300.20871	2.8
301.19589	3.6
303.17673	1.5
303.21097	1.9
305.19083	1.4
307.20392	2.8
309.22076	2.4
311.20160	2.0
313.22031	1.6
317.22791	1.7
319.20569	1.5
331.24173	8.1
333.22031	2.2
335.23804	2.0
339.20889	1.6
347.23596	2.4
349.25177	9.1
361.25305	2.2
365.25067	2.4
375.26797	5.8
379.26511	1.6
379.87088	1.2
403.30054	4.7
473.34048	2.9
491.35257	5.2
503.35294	5.3
509.34344	1.6
547.39569	3.7
565.40399	21.0
583.41492	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.4146
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01595	1.1
53.03938	3.3
55.05509	13.4
57.07082	8.3
59.05004	2.4
65.03928	3.2
66.26486	1.0
67.05508	19.4
67.14091	1.1
69.03432	6.1
69.07072	14.5
71.16556	2.4
79.05495	20.3
81.03435	2.1
81.07059	26.2
83.04984	4.4
83.08622	7.4
85.06555	5.3
89.06026	1.4
91.05481	36.4
93.07045	43.3
95.04967	8.0
95.07990	1.6
95.08606	28.6
95.09174	2.3
97.06535	5.0
99.08052	1.2
103.05450	4.7
105.04504	2.1
105.07032	68.2
107.08603	38.1
109.06510	7.8
109.10156	16.5
111.08086	3.1
113.09641	1.1
115.05430	3.1
116.17730	1.2
117.07023	14.5
119.08584	61.1
121.06502	5.2
121.10146	37.1
123.08070	14.4
123.11723	4.0
125.05991	3.1
125.09669	2.3
125.54797	1.1
128.06206	8.3
129.07013	14.1
130.07791	5.3
131.08571	24.3
132.09323	1.8
133.06512	2.6
133.07530	1.3
133.10129	30.8
135.08058	8.2
135.11693	11.0
137.09608	11.4
139.11162	1.6
141.06979	8.0
142.07768	18.9
142.12843	1.1
143.08556	33.6
144.09346	8.2
145.10130	38.2
147.08041	18.0
147.11671	13.0
149.09627	5.8
149.13266	2.5
151.07556	14.7
153.07022	4.1
154.07764	2.6
155.08562	16.2
156.09348	12.4
157.10132	42.2
158.10956	5.6
159.08084	2.9
159.11693	21.1
161.09683	5.8
161.13235	6.5
163.11203	5.4
165.06996	4.5
165.09120	27.7
166.07817	3.0
167.08556	8.5
167.10652	9.2
168.09322	7.8
169.10123	22.0
170.10886	7.8
171.11687	26.8
172.12477	2.1
173.09612	3.2
173.13269	16.2
175.11241	2.4
175.14830	6.1
177.09233	1.4
178.07794	1.9
179.08530	11.8
180.09352	4.5
181.10130	12.4
181.12259	4.9
182.10944	7.1
183.11687	21.8
184.12457	3.4
185.04863	1.2
185.09718	1.7
185.13268	17.4
187.11246	2.2
187.14801	5.8
189.12791	5.3
191.08525	2.5
191.14299	6.4
192.09396	5.1
193.10129	12.5
194.10951	8.5
195.11691	19.3
196.12506	5.1
197.13251	16.5
198.14052	1.9
199.11186	1.5
199.14764	9.1
201.12721	2.9
201.16377	2.4
203.08630	3.8
203.14310	12.4
205.10165	4.1
206.10846	5.6
207.11717	13.6
207.13814	5.4
208.12480	8.7
209.13281	22.4
209.15221	1.9
210.13918	2.7
211.11180	1.5
211.14835	8.9
213.16487	2.4
215.14320	1.3
217.10150	3.9
217.15855	7.2
218.10982	1.5
219.11726	5.6
220.12512	4.2
221.13284	14.4
221.15422	51.9
222.14067	3.6
223.14807	12.3
224.15594	2.8
225.12627	1.6
225.16377	4.9
227.14354	2.3
229.15930	1.9
230.10973	2.0
231.11671	6.1
231.17453	3.7
232.12566	3.4
233.13260	9.1
233.15393	3.6
234.14015	2.3
235.14836	10.3
236.15642	2.6
237.16374	6.9
239.17909	2.7
244.12486	1.9
245.13234	6.9
246.14162	3.8
247.14777	8.2
247.16908	2.3
248.15686	3.3
249.16429	7.9
250.17160	1.5
251.18002	5.0
253.19577	2.4
255.17297	1.4
257.13318	2.7
257.19019	7.7
258.14017	1.5
259.14798	5.6
260.15778	2.9
261.16345	5.8
262.17157	2.1
263.17996	6.5
264.18994	1.4
265.19553	6.0
267.21054	1.3
269.19037	2.8
271.15164	5.4
271.20477	2.6
273.16293	2.7
275.17892	6.8
277.19601	3.4
279.21130	2.0
281.19312	2.0
283.20602	11.1
286.19434	2.3
287.17648	1.8
287.20383	2.2
289.19418	2.7
291.21216	2.1
293.19049	2.1
295.20584	3.9
297.19135	1.6
297.22159	4.2
300.21054	1.8
301.19330	1.4
307.20636	2.4
309.22104	1.5
313.19446	1.6
315.21234	1.8
317.22491	1.6
321.98401	1.6
325.21506	1.8
327.21271	1.5
329.22391	1.5
331.24136	4.5
333.22086	2.3
335.23776	2.4
347.23773	2.7
349.25244	6.0
352.23914	2.3
357.25729	2.4
365.24854	1.9
373.25659	1.6
375.22455	1.5
375.26749	7.0
379.26120	1.3
403.29868	5.8
491.35297	4.0
503.35376	5.9
509.34268	2.2
547.39398	3.8
565.40479	21.1
583.41449	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.415
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	4.2
55.05509	19.5
57.07064	17.3
67.05506	34.3
69.03421	9.8
69.07068	20.3
69.51992	25.7
71.08646	7.4
79.05488	33.1
79.65395	3.7
81.07060	44.6
83.04947	9.3
83.08604	18.3
85.06544	8.0
91.05479	59.0
93.07052	60.1
95.04965	12.7
95.08608	43.5
97.06520	11.4
97.10153	4.9
98.21587	6.1
98.98465	5.3
103.05473	4.4
105.07027	73.5
107.05001	4.1
107.08610	49.2
109.06508	8.4
109.10155	36.6
115.05460	6.2
117.07012	26.8
119.08586	98.4
119.45702	4.7
121.06509	6.8
121.10160	60.5
123.08065	18.9
123.11708	8.7
125.06004	5.1
125.09619	4.9
128.06239	11.3
129.07025	21.5
130.07739	7.3
131.07658	5.6
131.08566	39.3
133.10153	42.6
135.08041	13.3
135.11664	12.2
137.09601	6.6
139.11159	3.8
141.07054	10.2
142.07744	40.7
143.08537	53.5
144.09311	8.4
145.10135	64.9
147.08052	14.8
147.11694	18.0
149.09630	12.7
151.07533	13.3
153.07024	6.4
155.01027	7.0
155.08543	23.2
156.09352	24.3
157.10143	59.7
157.27454	4.2
158.10884	7.7
159.08073	8.1
159.11719	30.7
160.47800	4.2
161.09622	4.7
161.13258	9.5
163.11230	3.9
165.06993	10.9
165.09166	19.8
167.08580	12.3
167.10667	34.8
168.09357	9.9
169.10149	40.6
170.10960	7.6
171.11697	42.0
173.13275	29.0
175.11166	8.2
175.14844	10.2
179.08540	15.9
180.09299	8.4
181.10132	27.3
181.12256	7.5
182.10872	9.7
183.11739	36.1
184.12416	6.3
185.13222	17.7
187.14854	10.2
189.12727	6.8
191.14275	15.6
192.09360	5.6
193.10056	21.0
194.10913	15.3
195.11707	21.9
197.13257	23.7
199.14763	16.2
201.12819	6.8
201.16374	7.4
203.14285	12.8
205.10016	6.9
206.10878	8.9
207.11674	24.0
207.13637	8.9
208.12456	7.2
209.13313	31.1
209.15022	6.8
210.14212	4.9
211.14832	17.4
213.16336	4.7
215.14345	5.9
217.15845	8.0
219.11754	10.5
220.12355	11.3
221.13229	22.1
221.15378	41.8
222.14122	5.9
223.14833	14.3
225.16312	7.0
232.12312	10.0
233.13234	12.8
233.15260	9.2
234.14072	7.3
235.14908	14.1
237.16309	6.8
245.13290	7.9
246.13998	6.1
247.14876	12.8
249.16423	16.2
251.18037	9.1
257.18961	10.3
258.14081	6.3
260.15564	5.3
261.16397	15.2
263.17963	8.6
265.19504	8.5
269.19067	5.1
273.16278	8.1
275.17889	12.6
283.14502	6.3
283.20517	18.1
289.19485	6.7
300.20865	4.0
303.21234	4.9
317.22586	4.5
329.22498	5.0
331.24106	9.5
341.30453	7.7
349.25235	9.4
375.26767	7.1
425.28796	4.2
491.35257	8.5
547.38916	6.3
565.40302	17.5
583.41614	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.2902
Annotation	Aralionine A
Peak:m/z	Relative Intensity
53.03925	3.5
55.01872	4.8
55.05504	11.2
57.03436	4.5
61.02919	3.1
65.03954	4.2
65.67242	2.3
67.05177	4.3
67.05508	61.0
69.03418	5.1
69.07079	12.4
69.32558	17.1
71.05001	4.2
73.02922	2.7
79.05495	22.3
81.03432	14.0
81.07057	24.4
83.04987	6.3
83.08619	5.0
85.02912	6.6
90.42687	2.8
91.05481	20.3
93.07042	21.8
95.04949	8.0
95.08608	20.2
97.02863	4.4
97.06535	5.7
97.10164	7.4
99.81512	2.6
105.07040	12.8
107.04946	5.1
107.08582	10.5
109.02911	5.2
109.06531	3.7
109.10146	21.5
111.04494	3.5
117.07005	6.3
119.04934	3.4
119.08611	7.9
121.10159	10.2
123.04433	100.0
127.03896	4.7
128.06306	2.8
129.06987	3.0
131.08601	6.8
133.10178	3.8
135.04486	5.0
135.08040	4.4
137.05991	5.9
137.09624	3.0
139.03903	25.2
139.11201	3.9
145.10153	3.6
147.04428	20.5
147.11714	4.5
149.05923	4.6
149.09613	3.1
151.03908	54.3
153.05479	59.2
161.05986	7.8
163.03938	25.5
165.05511	12.4
167.07034	4.9
167.10849	3.0
173.06012	4.6
173.13217	2.5
175.03906	3.3
177.05507	20.4
179.03401	10.0
179.07045	28.7
183.08163	3.4
184.07416	5.0
185.95901	2.5
187.07471	3.2
189.05482	9.1
189.12904	3.1
191.07068	16.9
193.04903	3.4
193.08556	5.6
195.42535	2.6
201.05508	6.0
203.07094	4.1
203.12675	6.1
205.08595	6.5
215.07085	3.0
219.10239	2.4
229.14288	2.7
231.10229	8.2
247.13310	28.2
259.13315	5.4
261.14902	5.3
267.15787	2.8
271.13135	2.5
274.27402	9.6
275.12805	20.1
275.20071	5.2
277.14352	26.6
285.07556	24.9
285.10345	5.1
287.12741	6.5
295.15579	3.5
299.12457	2.7
301.14139	2.9
303.12411	2.5
305.13742	9.5
313.10684	6.1
317.13870	4.8
319.15356	7.7
321.28757	2.8
323.09100	4.9
331.11676	4.2
331.15497	3.3
359.18466	3.7
385.23706	13.3
395.22205	5.8
403.24936	5.3
411.18033	3.1
413.23282	41.4
421.16544	3.5
421.25571	3.7
427.17554	5.6
431.24280	37.1
439.17395	5.9
451.17874	3.3
529.25598	3.0
547.27094	16.9
565.28198	9.4
583.24939	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	583.2562
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	1.7
55.01851	1.9
55.05516	8.1
56.96539	1.1
57.03421	1.2
61.02904	1.0
65.03923	2.0
67.05510	30.5
68.45092	1.0
69.03419	2.0
69.07046	3.6
71.04985	1.5
71.52590	1.5
79.05492	8.7
81.03416	9.0
81.07061	11.5
83.04974	2.5
83.08595	4.6
85.02874	3.7
85.06564	1.2
91.05486	8.4
93.07044	7.5
95.04968	5.6
95.08612	6.7
97.02876	2.1
97.10149	2.1
99.04459	1.2
105.07067	5.1
107.04945	1.7
107.08570	4.6
109.02911	2.5
109.06513	1.2
109.10156	12.8
111.04423	2.1
111.08070	2.0
117.06953	1.5
119.04932	2.3
119.08571	5.1
121.06483	2.6
121.10103	3.5
123.04432	35.5
123.05319	2.0
123.08081	1.2
125.09617	2.2
129.06989	1.6
131.08575	2.5
133.06490	1.1
133.10086	2.3
133.28487	1.0
135.04440	1.4
135.08012	1.4
135.11685	1.7
137.05954	1.3
137.09546	1.6
139.03918	7.4
139.32791	0.9
141.05455	1.2
145.10133	1.7
147.04369	6.0
147.11646	3.0
149.09554	1.7
151.03917	11.7
151.11171	1.9
153.05479	11.8
155.08501	1.1
157.10188	1.5
159.08046	1.3
159.11679	1.3
161.05931	2.8
163.03885	9.6
165.05458	4.0
165.09164	1.1
173.11681	3.1
175.11168	1.7
177.05435	4.0
179.03325	1.5
179.07089	5.0
179.08360	1.1
189.05412	3.6
191.06975	3.2
193.12157	3.1
204.10210	1.4
211.13260	4.6
216.10168	2.8
223.12341	1.0
229.14299	3.7
230.11748	3.4
245.10429	2.2
247.13261	7.7
251.11778	3.5
252.14781	1.1
259.13263	2.9
264.11087	1.1
265.12180	2.1
267.15784	1.2
275.12732	5.2
277.14383	5.0
278.12927	2.2
280.14435	7.0
285.07651	2.6
287.12772	2.2
289.13925	1.1
292.14545	1.3
293.21179	2.7
296.13904	2.0
300.11340	1.3
304.11801	12.1
306.15848	4.3
309.16757	1.2
319.12643	2.3
328.14529	2.5
330.16153	1.5
342.15894	2.5
343.13120	2.3
343.16684	1.7
355.17203	2.4
356.17404	3.1
374.14792	4.2
385.23584	2.4
387.15689	3.2
395.21930	2.3
402.18161	8.0
403.24774	2.1
413.23285	9.8
421.16208	1.6
421.25754	3.2
425.23392	1.6
431.24106	4.6
439.17734	1.7
439.26614	2.8
449.19543	1.5
481.21970	3.2
495.19675	1.4
509.21417	1.8
523.23450	2.3
529.26300	1.4
547.27258	6.1
553.21155	1.4
555.25824	1.4
565.28387	10.2
568.22107	2.2
583.25153	100.0
584.25330	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	582.2184
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02382	1.0
51.07888	0.8
55.01870	1.3
59.04970	0.7
65.03930	2.9
67.05509	2.1
69.03432	1.3
70.06566	1.3
71.52942	1.1
72.08157	1.0
79.05499	1.7
81.03408	1.4
81.07034	1.0
83.08630	0.8
84.04491	0.8
84.75517	0.7
85.02909	1.2
86.09718	0.8
89.03930	3.0
91.05480	1.9
93.03413	6.8
95.04973	1.0
95.88934	0.7
97.02895	100.0
100.67467	0.9
102.82893	0.7
105.07030	1.0
107.04980	0.9
109.10170	0.8
111.04453	2.5
115.05491	0.7
117.03382	5.1
121.02858	2.3
123.04436	2.5
128.06239	1.2
129.07010	7.6
135.04434	8.6
137.02312	3.7
139.03906	3.6
139.05475	1.5
141.06967	1.9
145.02850	8.1
145.06041	0.7
147.04414	1.2
147.08136	1.0
149.02336	5.8
157.06493	6.3
160.05264	1.2
161.06006	0.7
163.03909	66.4
167.03412	28.6
167.04730	1.4
167.07181	0.9
169.06505	2.7
173.05966	1.6
174.06807	1.4
175.07550	12.5
177.05513	1.0
184.07353	1.6
185.05983	10.7
187.07588	2.0
195.04460	0.7
195.08797	1.0
201.05519	2.3
203.07088	8.4
213.05475	6.7
231.06529	16.2
241.04825	0.8
259.06067	4.1
277.07080	73.0
295.08112	10.0
334.13492	1.0
538.19824	3.1
582.18604	12.2
584.21606	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	582.2551
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	2.7
55.03885	2.4
55.05503	10.6
56.96566	3.3
57.20544	2.1
67.05515	20.1
69.07060	7.5
70.06563	4.5
71.04985	4.0
71.52534	4.2
71.65849	2.3
72.08160	7.3
77.40925	2.3
79.05504	11.0
81.03424	7.5
81.07059	16.9
83.04993	3.6
83.08631	5.5
85.02901	4.8
85.06522	2.1
86.09673	2.4
89.03864	2.6
91.05486	10.5
93.07066	11.1
95.08604	6.3
97.02885	11.6
97.06530	13.4
97.10192	4.5
100.11288	3.2
105.07021	7.9
107.04993	4.6
107.08609	7.9
109.02912	4.0
109.06533	2.4
109.10152	5.1
111.04470	4.1
111.08105	2.7
115.05503	3.6
117.07088	3.8
119.08597	5.5
120.08076	2.5
121.10148	4.8
123.04433	8.7
129.07016	5.5
131.08542	4.8
133.10144	4.9
135.04338	4.1
135.11743	4.2
137.05965	4.7
139.03940	5.9
141.06950	3.4
145.02870	7.3
145.06512	3.0
145.10147	3.1
147.04385	3.0
147.11702	2.7
149.09651	3.6
151.03952	4.0
153.05452	4.2
153.06972	2.7
157.06482	3.1
161.05988	9.3
163.03893	21.9
163.11172	5.1
167.08524	3.4
169.06462	4.1
173.05998	66.5
173.09538	4.4
175.03920	6.0
175.07558	2.6
177.05531	7.4
181.06476	9.5
184.07333	8.9
185.05972	6.7
187.07549	13.6
189.05472	6.8
189.09111	2.4
191.03346	6.9
191.10614	4.8
192.30995	2.5
193.06567	2.6
195.08035	5.1
197.06042	13.5
199.07591	17.2
201.05460	25.4
203.07103	3.9
207.08228	4.1
211.07556	8.9
213.05521	19.6
213.09059	5.5
215.03517	2.4
215.07069	13.3
217.04976	57.3
221.06119	2.4
223.07570	3.8
225.05489	11.7
225.09009	5.6
226.06300	2.4
227.06970	19.1
229.04982	13.4
229.14272	3.9
239.07069	8.3
241.05000	3.1
241.08586	2.7
243.06470	6.8
249.12746	3.8
259.09598	3.9
267.13773	11.7
269.17554	4.6
281.15591	4.1
283.13382	4.6
291.13800	4.6
295.13281	3.5
309.14838	9.5
311.12772	17.4
311.16086	4.2
313.14310	17.2
319.13229	5.0
327.15826	11.1
329.13840	84.7
329.17688	3.1
337.14380	35.2
349.23776	3.6
355.15405	100.0
367.25061	4.0
373.16446	64.5
391.17245	4.3
409.08954	2.3
529.20538	2.9
538.19391	10.8
538.26849	2.9
547.21637	4.3
565.22778	6.7
582.18372	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	581.1852
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96559	2.7
57.03453	1.5
60.45722	0.8
61.02919	0.8
62.06057	1.0
67.05502	2.4
68.70247	0.8
68.99820	0.8
69.03427	1.6
69.07045	1.3
70.06590	1.8
71.05000	12.8
71.52446	1.1
77.79412	0.8
79.05499	1.3
81.03424	2.6
81.07083	1.7
84.96026	1.1
85.02905	4.0
85.06531	2.4
91.05493	2.6
93.07032	1.2
95.04960	2.0
95.08602	1.6
97.02926	5.6
97.06522	4.8
98.97571	1.8
103.05455	1.0
105.07031	1.6
107.08579	1.2
109.02908	1.6
109.06567	0.8
109.10143	1.2
111.04353	1.0
113.05974	1.3
119.08585	1.3
121.02879	15.5
121.10162	1.2
123.04440	2.2
127.03931	2.0
127.07575	5.8
131.07047	1.6
135.04433	1.6
137.02377	2.8
137.05959	1.1
138.06616	2.4
139.03889	4.1
145.02859	1.7
145.08617	27.4
147.04440	1.3
149.02292	2.2
151.03912	1.4
153.01833	12.6
153.05467	1.3
161.02397	1.2
163.03918	8.8
167.07080	0.8
168.88368	0.9
171.02989	1.5
171.71725	0.9
173.02386	2.2
175.03915	1.0
177.01886	2.0
177.05511	1.8
191.03453	2.8
195.02904	10.3
195.08797	8.3
215.03439	1.0
215.07048	3.5
216.02554	0.9
219.03140	0.9
219.10201	1.0
234.45534	0.9
238.63138	0.9
243.02826	1.1
247.06047	15.2
257.10278	1.1
259.09662	2.3
261.03934	1.6
261.07330	3.1
271.06024	3.2
275.11221	1.4
289.07059	6.6
291.12433	2.7
313.07159	3.4
315.27368	1.2
317.12097	1.9
333.13144	12.1
337.07202	2.6
340.11749	3.8
351.07492	1.5
355.08252	2.1
361.12683	4.0
398.26865	1.0
489.10883	1.4
495.18393	12.1
507.11676	4.0
537.19458	38.0
581.18402	100.0
581.37054	2.4
582.18719	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	580.4209
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	3.2
55.01857	3.4
55.05513	16.2
57.03419	6.0
57.07060	3.8
67.05505	37.4
68.72978	1.6
69.07072	19.0
70.81558	4.4
71.04973	1.8
79.05488	24.0
81.07056	42.5
83.04953	2.3
83.08623	13.1
85.06548	2.4
85.72899	1.7
91.05484	11.0
93.07034	28.6
95.04956	3.2
95.08611	42.1
97.02898	2.7
97.06536	4.3
97.10151	4.6
99.04443	3.5
105.07016	8.8
107.04929	5.1
107.08588	19.0
109.10150	10.5
111.04459	1.8
117.06995	4.7
119.08578	7.6
120.56913	1.7
121.06498	4.1
121.10120	11.2
123.11727	3.2
125.05997	2.9
131.08551	1.8
133.10106	5.3
135.11700	24.6
145.10121	16.4
163.11171	28.7
181.12247	5.2
227.12784	46.0
279.22910	1.8
283.15430	35.5
337.27374	100.0
409.99194	2.1
530.39081	6.1
545.38367	58.3
562.37811	4.7
580.38898	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	580.3329
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	5.5
55.01878	13.6
55.05510	26.1
57.03438	18.1
57.07070	2.5
59.05006	2.6
61.02934	12.2
65.03937	4.2
67.05507	92.2
69.03423	11.8
69.07072	56.5
69.78811	10.9
71.04983	6.6
73.02927	3.1
79.05496	49.5
80.43011	2.1
81.03427	18.1
81.07054	70.8
83.04993	11.4
83.08610	13.9
85.02897	15.3
85.06541	8.9
89.04833	2.0
90.52773	2.7
91.03938	5.6
91.05476	46.6
93.07047	53.2
95.04988	13.3
95.08610	47.8
97.02902	11.0
97.06535	23.1
97.10159	9.4
103.03885	2.7
105.07034	46.0
107.04931	10.5
107.08596	26.6
109.02881	2.9
109.06521	6.6
109.10161	50.5
111.08052	7.4
117.07005	15.1
119.04953	3.1
119.08575	36.8
121.06504	7.5
121.10158	17.5
123.08100	10.4
123.11675	6.1
125.09594	6.7
127.03883	4.9
129.05548	2.6
129.06975	4.7
131.08571	23.5
133.06485	2.8
133.10149	25.8
135.08070	6.2
135.11716	17.4
137.09602	17.2
141.06975	3.2
143.08559	5.8
145.06506	2.4
145.10109	22.3
147.08041	6.0
147.11703	17.6
149.09622	18.2
149.13268	5.1
151.11159	6.6
155.10641	3.8
155.86954	2.3
157.10172	4.3
159.11699	16.2
161.09581	3.3
161.13248	9.3
163.03831	3.2
163.11166	8.2
171.10135	11.6
171.11554	4.1
173.11734	15.3
173.13234	8.7
175.11186	5.5
177.12770	6.9
179.14317	4.0
187.11110	2.8
187.13271	4.2
187.14787	3.5
189.11252	3.1
189.12758	3.0
193.12268	3.3
211.13283	2.8
223.13304	2.9
229.14345	37.9
229.19363	3.2
239.17897	7.0
243.16023	12.0
247.20665	4.0
253.18031	3.7
255.15962	8.2
257.19040	10.1
269.17465	5.2
271.15598	10.6
272.48019	2.5
273.18475	2.6
275.20059	45.7
285.17081	4.2
291.19385	6.1
297.16971	3.0
349.23761	100.0
367.24692	14.2
462.38910	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	580.3333
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	4.2
55.01872	9.6
55.05512	20.2
57.03434	12.7
59.05001	2.3
61.02919	5.8
65.03947	3.8
65.80579	0.9
67.05508	65.3
69.03421	6.2
69.07070	43.2
69.21240	7.8
69.21647	2.3
71.01340	3.0
71.05004	5.9
73.02920	2.5
77.03918	1.4
78.77394	1.2
79.05020	1.1
79.05495	36.1
81.03432	11.4
81.07058	49.6
83.04969	6.1
83.08624	10.1
85.02904	10.2
85.06547	6.9
87.04465	2.0
91.03957	2.5
91.05486	34.8
93.07047	38.2
93.07634	1.9
93.30260	1.0
95.04984	8.7
95.08609	33.7
97.02895	5.4
97.06535	16.9
97.10190	5.9
99.04446	1.5
99.08076	1.2
103.03912	2.3
103.05428	1.9
105.04580	1.8
105.07027	29.5
107.04964	8.8
107.08600	21.7
109.02883	2.7
109.06512	3.1
109.10159	33.1
111.04431	2.1
111.08093	5.2
117.07027	11.1
119.04917	1.4
119.08582	22.5
121.06523	5.1
121.10161	12.5
123.04427	1.7
123.08092	6.9
123.11707	4.0
125.09648	8.3
127.03887	2.8
128.06256	1.4
129.05476	2.5
129.07014	5.2
131.08571	15.2
133.06476	1.8
133.10136	21.3
135.04445	1.1
135.08041	3.6
135.11710	11.5
137.09604	9.6
139.11180	1.4
141.06905	1.7
143.08569	4.1
145.04977	1.7
145.06424	1.4
145.10130	14.0
147.08070	1.9
147.11670	10.1
149.09619	14.3
149.13254	3.2
151.11130	5.0
152.81654	1.1
153.09100	1.6
153.12677	1.2
155.08566	2.0
155.10666	3.9
157.08771	1.0
157.10097	4.2
159.11717	10.5
161.09668	1.7
161.13239	6.9
163.11205	8.0
165.09102	2.1
165.12679	1.4
169.10100	3.2
171.10158	8.8
171.11716	4.1
173.11742	13.7
173.13264	5.4
175.11218	2.5
175.14909	1.9
177.12727	4.1
179.10541	1.2
179.14243	5.2
181.12314	1.2
183.11583	1.8
185.09627	1.2
185.13234	1.2
187.11188	1.9
187.13304	3.1
187.14803	1.1
189.11209	2.5
193.12227	1.6
195.13802	2.1
197.13290	1.8
211.13202	1.4
223.13278	2.2
227.12740	1.5
229.14355	33.9
229.19547	3.0
239.17973	4.6
241.14421	1.6
243.15892	8.4
245.19136	1.3
247.20596	3.5
253.17931	5.4
255.15872	8.0
257.19019	7.1
267.15906	3.0
269.17480	2.9
271.15402	2.7
273.18600	2.4
275.20062	34.4
291.19513	5.3
293.21088	3.3
297.17093	2.1
331.22403	1.2
348.22815	1.1
349.23737	100.0
365.23248	1.5
367.24838	11.0
383.24127	3.2
418.27600	1.3
418.99088	1.3
509.59122	1.2
580.33783	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	580.3331
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	5.4
55.01863	8.2
55.05524	16.2
57.03441	25.8
58.58469	1.9
61.02930	12.4
66.27704	1.7
67.05508	57.7
69.03430	18.1
69.07069	58.7
69.19111	18.7
69.19531	4.6
69.26758	2.0
70.06600	19.9
71.04997	32.4
73.02927	11.4
78.80140	2.3
79.05495	55.7
81.03421	31.4
81.06593	3.4
81.07063	64.2
83.04993	13.8
83.08621	9.9
84.08139	3.2
85.02905	16.6
85.06550	8.1
91.03943	6.0
91.05483	30.7
93.06480	4.2
93.07043	52.5
95.04986	21.8
95.08614	30.1
97.02905	22.3
97.06533	100.0
97.10159	6.1
98.20716	4.0
98.97546	2.7
99.04468	3.7
99.08089	7.4
105.04527	2.3
105.07033	27.5
106.07297	1.8
107.04955	14.7
107.08602	30.8
109.02897	4.9
109.06529	24.1
109.10145	10.2
111.04400	3.7
111.08098	9.6
113.06011	2.9
115.05428	3.7
115.07572	42.8
117.07024	17.7
119.04963	2.2
119.08597	22.3
120.86249	2.3
121.06505	12.3
121.10166	16.5
123.04373	4.4
123.08060	9.1
123.11697	4.7
125.09619	7.3
127.03893	12.9
127.07571	3.4
128.06244	2.3
129.07008	9.6
131.07066	2.8
131.08591	19.7
133.06514	4.0
133.10129	19.9
135.08060	15.5
135.11714	13.1
137.09592	3.1
141.06958	2.1
143.08543	8.3
145.04945	3.1
145.06467	3.0
145.10092	14.4
147.04408	2.6
147.08020	6.6
147.11674	9.7
149.09625	6.4
149.13290	17.6
151.07556	3.6
151.11156	3.9
157.10114	8.2
159.08032	5.8
159.11719	18.8
161.06010	2.7
161.09653	9.1
161.13289	3.0
163.03902	5.7
163.11182	7.4
169.10103	2.8
171.11722	4.9
173.04445	6.3
173.09529	3.8
173.13251	3.0
175.11185	5.5
177.12784	15.5
181.12277	3.0
185.13293	4.1
189.16397	2.6
195.13814	8.2
197.13187	3.0
199.14830	4.7
201.07565	2.8
203.14473	2.4
205.12291	3.6
215.14343	3.3
217.15926	10.7
218.14253	2.0
223.13208	2.6
227.12714	3.7
228.17427	7.7
233.15425	14.8
235.16727	3.2
245.18980	2.8
251.16512	3.5
253.14354	2.6
254.17546	4.7
255.15862	7.6
261.95114	2.4
262.18472	2.9
263.20032	2.9
269.17487	60.5
271.15372	2.9
273.18494	39.4
291.19595	28.3
295.05634	2.2
297.16934	10.1
303.05112	2.3
307.19000	5.9
314.19519	2.3
325.19943	5.9
347.22055	14.3
352.12485	2.2
365.23215	54.1
383.24210	21.7
388.23535	3.6
527.28381	2.9
575.85718	2.4
580.25439	6.1
580.34882	40.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	580.3329
Annotation	Unknow
Peak:m/z	Relative Intensity
51.66361	1.8
53.03950	6.2
55.01868	6.1
55.05509	17.6
56.96548	2.4
57.03438	21.2
57.07064	2.4
61.02930	13.7
65.03926	4.3
67.05505	54.8
69.03436	20.1
69.07072	55.4
69.19530	4.5
69.19945	17.1
70.06586	4.2
71.01359	2.2
71.05003	29.4
72.08176	3.1
73.02912	8.6
79.05496	52.1
81.03423	27.5
81.07058	63.6
83.04990	12.4
83.08619	13.4
84.04469	2.1
85.02908	18.3
85.06530	6.6
91.03958	5.9
91.05483	42.5
93.06481	3.7
93.07049	58.7
95.04963	17.2
95.08611	30.6
97.02898	21.0
97.06532	100.0
97.10172	6.9
98.05868	2.0
98.20676	4.5
99.04446	5.5
99.08078	7.8
102.77172	2.1
103.03946	3.0
103.05500	3.2
105.07037	29.1
107.04977	15.2
107.08588	30.2
109.02869	6.0
109.06539	19.7
109.10159	16.9
111.04448	2.3
111.08088	7.8
113.06021	3.2
114.90977	1.9
115.05461	2.3
115.07565	34.5
117.07024	22.5
119.04920	3.9
119.08582	19.6
121.06525	14.1
121.10153	15.9
123.04408	8.1
123.08084	9.3
123.11703	3.5
125.09641	4.1
127.03940	13.1
127.07629	4.0
128.06215	3.4
129.07010	8.1
131.07054	5.6
131.08577	25.3
133.06503	7.7
133.10139	20.2
135.04376	4.7
135.08092	11.8
135.11728	13.3
137.05936	2.9
137.09613	3.7
139.03914	5.9
141.07028	3.5
143.08580	7.0
145.05002	3.6
145.06499	2.9
145.10133	19.3
147.04451	4.8
147.08031	6.2
147.11682	5.9
149.09666	10.5
149.13263	15.7
151.03937	2.1
151.11203	5.5
156.10220	4.7
157.10141	11.9
159.08089	4.5
159.11720	16.7
161.06024	2.9
161.09631	9.8
161.13284	5.2
163.03900	8.1
163.07530	2.8
163.11243	8.1
167.07011	4.4
169.10139	4.0
169.12352	2.7
171.11639	6.4
171.13007	3.0
173.04466	7.1
173.13258	4.8
175.11230	5.2
177.12756	15.3
179.14374	3.3
183.11652	2.3
185.09618	2.7
185.13281	4.3
187.11169	4.1
189.16283	2.6
190.06268	2.4
193.12228	3.4
195.13866	8.0
197.13354	3.1
199.14842	4.7
217.15910	12.1
221.08133	13.0
223.13210	3.4
227.12849	4.3
228.17563	10.5
233.15382	23.6
237.16382	3.2
245.19040	4.0
251.16296	3.5
253.14392	5.0
255.15901	8.5
259.09595	2.9
267.15906	2.6
269.17468	56.2
273.18491	42.2
291.19589	22.6
297.17038	18.0
307.18921	5.0
325.20154	8.0
337.23532	2.9
347.22150	14.1
365.23218	53.5
370.13205	2.6
383.24268	24.9
462.41782	2.5
526.25659	2.4
580.25488	5.6
580.34656	7.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.1499
Annotation	Procyanidin B4
Peak:m/z	Relative Intensity
51.02385	1.1
53.03939	1.6
55.01851	1.6
55.05527	0.9
65.03913	1.1
68.99800	3.1
70.06573	0.9
70.57235	2.0
70.57628	2.1
75.52621	1.0
77.03920	1.3
78.37834	0.9
79.05481	1.0
81.03410	2.4
88.21751	1.2
90.64995	1.1
91.05486	1.3
95.04967	2.4
105.03381	1.9
107.04958	3.8
109.02876	3.1
111.00777	2.7
111.04430	1.6
119.04948	4.5
123.04432	100.0
127.03921	88.3
129.07011	1.0
131.04927	2.9
135.04419	26.5
137.02336	2.8
138.05568	1.2
139.03906	41.2
143.04941	1.8
147.04416	13.4
149.02350	3.6
149.05951	3.1
151.03883	4.8
159.04405	2.4
161.05978	4.8
163.03914	38.3
165.05493	11.9
167.03423	4.0
169.06548	1.8
171.04460	1.3
173.05989	3.5
175.03879	4.3
177.05533	3.4
179.03375	5.1
179.07056	1.3
181.04967	2.2
183.04373	1.1
186.19304	1.1
187.03848	6.2
189.05458	2.9
191.03383	8.6
193.04869	4.6
197.05971	3.4
201.05511	4.8
203.03424	10.2
203.07002	2.7
205.05014	2.2
207.06514	1.6
213.05438	2.5
215.03427	1.4
215.07106	3.9
217.04991	3.9
225.05492	1.7
229.04948	6.5
231.06499	1.9
233.04463	3.1
241.04810	2.3
243.06621	4.0
245.04494	15.6
247.06044	17.8
253.04993	1.7
255.06558	3.3
257.04453	21.0
258.05264	3.5
259.06119	5.0
269.04492	2.1
271.06027	20.8
271.08838	1.7
273.07520	2.4
275.05472	16.5
283.05997	6.8
285.07538	2.4
287.05511	34.7
289.07047	15.5
291.08606	17.2
299.05597	11.2
299.08688	1.5
301.06973	10.3
303.08603	3.8
333.09448	1.3
339.81805	1.3
409.03738	1.9
409.09195	39.0
411.10712	3.5
421.09085	3.0
427.10309	8.4
435.10681	5.8
439.10532	5.7
453.11646	2.1
561.13550	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.15
Annotation	8,9-Dihydro-10-(2,4-dihydroxyphenyl)-9-hydroxy-8-(3,4,5-trihydroxyphenyl)-10H-pyrano[2,3-h]catechin
Peak:m/z	Relative Intensity
53.03934	0.9
55.01860	2.6
55.49930	0.7
56.96563	0.6
64.61967	0.6
65.03925	1.8
67.05498	1.0
67.07658	0.6
68.99795	3.1
69.03411	0.8
69.66278	4.0
70.06647	0.8
72.08142	1.5
77.03935	0.7
82.34032	0.7
83.04960	1.4
90.91757	0.8
95.04958	1.7
97.02874	1.2
103.05483	0.9
105.03385	1.0
111.04446	4.8
113.08418	0.7
115.05487	1.6
119.04942	3.1
121.02883	1.6
123.04430	64.2
127.03915	1.4
131.04958	0.9
133.06488	0.9
135.04404	5.0
137.02295	1.3
137.05943	0.7
139.03903	100.0
141.06955	0.7
143.04930	1.4
145.06473	1.0
147.04422	11.7
149.02310	1.0
151.03966	1.8
153.05492	1.4
157.06497	1.8
159.04437	1.1
161.05978	8.1
163.03911	53.0
165.05466	4.4
169.06496	3.7
171.04431	2.5
173.06000	2.5
175.03938	2.7
175.07675	0.7
177.05415	1.2
183.04440	1.7
183.35379	0.6
185.05956	3.5
185.07507	0.6
186.87151	0.6
187.03859	1.7
189.05463	3.3
197.05988	5.4
199.03937	0.9
201.05463	4.0
203.03360	1.0
203.06870	0.7
205.05046	1.2
211.04173	0.9
213.05463	8.0
215.07071	0.8
217.05029	1.8
225.05481	7.2
227.07033	1.0
229.04984	9.3
230.05640	0.9
231.06458	4.2
237.05489	2.4
241.04991	9.7
243.06546	9.6
245.04527	1.0
247.05998	11.4
253.04951	3.9
255.06541	2.5
257.04504	1.5
259.06030	36.8
265.04984	1.5
269.04437	1.4
271.06006	16.4
271.08798	1.0
283.06113	4.7
283.59659	1.0
287.05524	2.0
289.07050	19.8
291.08508	0.9
295.06015	1.9
301.07010	6.8
365.10165	1.3
375.08643	2.2
391.08145	2.4
393.09598	8.4
405.09567	1.6
409.09180	35.0
410.09610	0.7
411.10721	2.7
417.09720	2.1
421.09055	3.2
423.10645	7.4
427.10330	8.3
433.09183	1.2
441.11780	8.9
543.13031	3.7
561.13879	1.1
579.32776	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	579.1496
Annotation	Procyanidin B4
Peak:m/z	Relative Intensity
55.01873	1.7
60.22596	1.0
62.80824	0.8
68.99780	4.4
69.70437	4.4
79.05495	1.1
81.03423	3.7
89.03944	1.5
95.04955	1.1
99.04476	0.8
99.26600	0.8
107.04949	3.0
109.02876	2.9
111.00835	1.5
111.04459	3.0
119.04905	1.5
121.02835	1.1
123.04430	39.5
127.03918	100.0
131.04910	1.5
131.93523	0.7
133.06123	1.2
135.04417	27.6
137.02365	2.0
139.03903	51.7
141.07033	0.8
147.04422	5.9
149.02316	4.4
149.05995	0.9
151.03912	8.0
157.06496	1.0
159.04408	2.7
161.05942	3.1
163.03911	37.1
165.05458	5.7
166.70050	0.8
167.03421	6.6
169.06493	1.9
173.05977	2.2
175.03877	3.4
177.05481	3.0
179.03429	2.5
185.05975	1.2
187.03857	7.2
189.05525	1.7
191.03416	11.4
193.04994	2.7
197.05984	2.7
201.05467	6.9
203.03378	8.3
203.07162	1.4
205.04970	2.6
213.05484	2.6
215.03442	1.1
215.06999	2.9
217.05029	2.2
217.61192	0.9
225.05533	1.1
229.04945	6.9
231.06619	1.0
233.04480	6.6
241.04951	1.5
243.06546	6.3
245.04477	5.8
247.06020	13.5
255.06557	2.0
257.04456	9.9
259.06024	7.4
269.04501	1.9
271.06052	19.0
273.07544	1.4
275.05496	19.1
283.06073	7.0
287.05502	22.1
289.07031	16.5
291.08630	18.2
297.07648	0.9
299.05469	3.5
301.07071	15.4
303.08612	2.9
339.19705	1.0
349.82233	1.0
409.09164	24.4
411.10818	3.5
421.09055	1.8
427.10254	10.8
434.14224	1.0
435.10632	1.2
439.10162	1.8
447.90665	0.9
539.48163	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.4254
Annotation	Unknow
Peak:m/z	Relative Intensity
50.96492	4.5
55.05498	5.5
57.07063	5.0
60.73898	3.2
67.05510	23.2
69.07082	5.0
71.01389	9.2
71.61450	3.8
74.56935	3.5
74.94271	3.5
79.05512	18.4
79.05862	3.1
81.07056	24.1
91.05477	40.3
93.07047	26.4
95.04972	5.4
95.08623	18.8
105.07030	45.1
107.08582	17.0
108.46695	3.8
109.06541	5.1
109.10149	14.2
116.36610	3.7
117.07024	7.9
119.08588	30.8
121.06492	15.3
121.10161	7.8
124.52443	3.9
129.07018	7.0
131.04939	14.1
131.08531	11.3
131.22516	3.5
133.06512	20.6
133.10138	13.5
135.08032	4.2
135.11682	4.7
143.08551	10.1
145.06454	11.7
145.10123	7.2
147.08049	40.5
147.11676	40.6
155.08531	5.1
157.10109	8.3
159.08012	7.5
159.11723	7.1
161.13086	3.8
167.08629	4.6
169.96222	3.6
171.07944	4.8
171.11682	7.8
173.09624	28.7
181.10042	3.7
183.11661	6.2
185.09642	7.4
187.11151	7.6
197.13268	5.6
199.11095	8.7
210.02922	4.7
211.11111	5.1
223.11060	3.9
225.12619	4.0
239.14325	5.6
246.73203	3.9
251.14279	7.2
253.15872	5.9
261.22144	8.8
263.18155	3.8
277.15341	4.5
279.17435	53.1
281.19022	100.0
297.18393	7.5
380.66113	3.8
425.34222	5.2
541.40179	5.0
559.41467	46.5
577.35181	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	577.4099
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	6.7
54.88147	2.3
55.01859	7.5
55.05514	39.2
57.03438	13.5
57.07064	7.4
59.04992	4.0
65.03947	3.0
65.62797	2.3
67.05508	84.5
69.03407	4.3
69.07070	23.7
70.12436	2.2
71.04994	14.3
79.05492	67.0
81.03419	24.8
81.07058	100.0
83.04952	6.7
83.08616	22.0
85.06526	11.3
87.04480	3.0
91.05481	50.6
93.06487	3.9
93.07044	57.3
95.04957	18.0
95.08607	68.6
97.06522	12.9
97.10179	14.4
99.08102	4.8
105.07042	58.2
107.04942	3.6
107.08607	41.5
109.06508	8.3
109.10165	32.4
111.08073	3.6
115.05474	4.4
117.07026	20.1
119.07801	4.7
119.08581	45.8
121.06538	4.1
121.10149	33.6
123.08047	4.6
123.11736	11.9
125.09586	15.5
129.07019	12.1
131.08582	32.0
133.10127	27.9
135.08037	5.6
135.11688	19.2
137.09602	5.0
137.13226	4.0
139.11188	3.1
141.06992	4.8
142.07748	2.8
143.08565	9.9
145.10144	29.1
147.07936	3.6
147.11678	26.3
149.09592	6.3
149.13248	9.7
151.11182	2.3
153.12665	3.1
155.08514	10.1
157.10107	15.3
159.11705	24.7
161.13216	14.4
163.11127	3.6
163.14832	4.8
165.12740	4.5
167.10693	3.3
169.10144	7.8
171.10283	2.6
171.11632	12.2
173.11966	2.4
173.13234	15.1
175.11208	3.9
175.14835	5.6
179.14407	4.9
181.10086	5.1
181.12337	2.8
183.11716	5.6
185.13217	11.1
187.14761	5.9
189.11220	9.2
193.12250	8.9
195.11732	4.0
197.13272	5.9
199.14799	5.6
201.16362	3.0
209.13333	4.5
211.14908	4.0
213.14758	3.6
227.12805	14.5
239.16356	4.3
243.21107	4.4
253.19551	2.8
261.22153	8.4
267.15866	29.6
279.23132	3.9
285.21994	5.2
287.19882	2.9
287.23535	5.1
289.21582	7.2
301.25171	11.4
303.23059	2.8
303.34610	2.5
333.24210	2.7
335.25903	22.9
359.25653	3.8
363.25201	6.7
417.31363	3.3
435.27487	3.8
435.32547	19.4
453.33606	21.8
454.82086	2.5
471.34854	11.4
509.36069	9.3
527.37305	84.4
545.30542	4.9
545.38434	75.6
559.40033	12.8
577.37604	23.4
600.31976	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	577.1343
Annotation	Robinetinidol-(2beta->7,4beta->8)-catechin
Peak:m/z	Relative Intensity
50.93386	0.1
51.06563	0.1
53.03946	0.2
58.19028	0.1
63.10783	0.2
67.05492	0.3
68.99788	0.9
69.03435	0.3
70.06571	0.4
70.17020	0.6
79.05469	0.2
80.62866	0.1
81.03416	0.5
81.07070	0.2
82.25095	0.1
84.08160	0.2
85.02916	0.4
86.09763	0.2
87.79485	0.1
91.05467	0.4
95.04949	0.4
97.02877	0.5
105.03401	0.3
107.04961	0.3
109.02895	0.3
111.00839	0.2
111.04425	0.3
115.05458	0.2
119.04925	0.6
121.02868	0.6
123.04436	12.8
125.32379	0.1
127.03918	1.1
131.04926	0.4
135.04401	0.6
137.02353	7.0
137.03407	0.4
139.03918	2.6
143.04964	0.3
147.04405	2.0
149.02403	1.0
151.03891	4.1
153.01860	0.3
153.05466	0.8
155.03481	0.2
157.06480	0.3
160.90596	0.2
161.06013	0.8
163.03938	2.5
165.01802	0.3
165.05499	1.0
167.03423	0.4
171.04430	0.5
175.03888	0.6
175.07611	0.3
177.01848	0.4
177.05473	0.5
179.03329	0.3
181.04953	2.7
185.05920	0.8
187.03967	0.2
189.05469	1.4
197.05995	0.3
199.03889	1.2
200.04684	0.2
201.05460	0.4
203.03401	1.3
205.04709	0.2
207.08804	0.5
213.05470	1.6
215.03427	0.5
215.07007	0.2
217.04994	1.2
218.05865	0.2
227.03429	1.2
229.04865	0.4
231.06543	1.2
235.08229	0.2
241.04892	0.8
243.06514	0.4
245.04475	5.8
247.06157	0.6
253.09381	0.3
255.06528	0.4
257.04477	0.6
259.06030	1.3
269.04385	0.8
271.05908	1.5
273.07587	0.4
275.05539	0.3
283.06091	0.3
287.05502	100.0
288.05890	0.6
299.05518	2.6
311.05481	0.6
335.05444	0.5
379.08072	0.5
397.09189	1.4
397.14108	0.3
407.07617	1.0
409.08939	0.2
419.07611	1.9
425.08685	14.3
433.09583	0.2
437.08713	5.3
451.10526	0.2
530.77832	0.2
540.99518	0.2
559.12225	0.6
577.12769	0.9
577.29150	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.1346
Annotation	Dehydrodicatechin A
Peak:m/z	Relative Intensity
53.03928	0.9
55.01863	1.8
65.03944	1.7
67.05492	2.5
68.73581	0.5
68.99783	3.6
69.03440	3.5
69.30231	3.7
69.30640	1.0
70.06577	1.7
70.39435	0.6
75.35831	0.6
77.03928	1.4
79.05499	1.1
81.03425	1.6
85.02860	1.1
91.05489	1.9
93.03390	0.8
95.04990	4.6
97.02918	3.6
97.06509	0.8
105.03380	3.0
107.04961	5.0
109.02885	1.0
111.04434	1.7
115.05455	0.7
119.04949	4.4
121.02850	1.8
123.04431	100.0
125.05966	1.8
127.03934	1.9
129.06967	0.5
131.04965	0.8
133.06508	1.2
135.04396	5.4
137.02357	3.6
139.03899	23.9
143.04916	1.1
147.04414	19.1
149.02380	2.7
151.03905	56.0
153.01840	2.5
153.05486	8.0
155.03346	1.2
159.04494	0.6
161.03471	1.4
161.05971	4.3
163.03911	24.7
165.05489	15.5
171.04362	3.1
173.02382	0.7
173.06006	1.8
175.03845	3.3
177.05493	1.2
179.03427	1.4
181.04961	39.1
183.04495	1.1
189.05478	13.2
191.03397	0.7
197.05960	0.9
199.03909	3.9
201.05504	2.5
203.03371	5.0
207.06506	1.1
211.04030	0.6
213.05490	1.6
215.03412	7.4
217.04965	18.9
218.38681	0.6
221.04503	1.4
225.05367	1.0
227.03395	7.3
229.04906	3.4
231.02905	0.7
231.06551	1.9
233.04564	0.8
239.03380	1.5
241.04922	2.9
243.02872	0.7
243.06493	1.4
245.04449	96.9
247.05965	5.1
255.06447	0.7
255.51242	0.7
257.04443	6.3
259.06003	3.4
265.08813	0.7
269.04449	1.9
271.06036	3.7
275.05530	1.4
281.04489	1.9
283.05905	0.6
287.05475	15.8
291.08823	3.1
299.05542	8.0
303.04971	0.9
311.05392	1.2
323.05426	1.4
361.06900	1.0
367.08163	1.3
379.08148	5.6
389.06708	1.2
391.08328	1.0
395.07492	1.1
397.09155	16.6
407.07590	8.6
409.09216	1.4
411.10703	1.2
415.07397	0.9
425.08685	24.2
451.10257	3.9
472.93707	0.8
559.12238	3.1
577.13318	22.8
577.28094	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.1343
Annotation	Dehydrodicatechin A
Peak:m/z	Relative Intensity
51.02382	0.7
53.03923	0.4
55.01874	1.0
58.80860	0.4
63.24270	0.4
65.03939	0.6
67.05506	2.3
68.99789	2.3
69.03432	3.3
69.14861	4.0
70.06596	0.4
77.03904	0.7
79.05474	0.8
81.03409	1.6
85.02897	0.6
85.53184	0.4
90.43919	0.3
91.05480	1.1
93.03408	0.6
95.04968	3.6
97.02896	5.9
97.06493	0.7
105.03403	2.0
105.04510	0.6
107.04954	4.5
111.04427	1.7
115.05525	0.5
119.04958	4.3
121.02806	0.5
123.04433	82.3
125.05954	1.9
131.04964	0.4
133.02858	0.9
133.06534	0.8
135.04439	4.5
137.02357	0.5
137.05898	0.5
139.03900	16.0
145.02812	0.8
147.04417	14.4
149.02362	1.5
150.02742	0.7
151.03908	70.0
151.34067	0.4
153.05457	9.2
161.03427	0.6
161.06004	2.3
163.03903	18.6
165.05487	12.5
171.04379	3.2
173.02388	0.5
173.05928	0.6
175.03853	0.9
177.05341	0.5
179.03395	3.6
181.04962	43.2
183.04298	0.7
185.05907	0.5
187.03886	1.2
189.05476	15.1
191.03450	0.9
199.03903	5.3
201.05458	1.2
203.03404	1.1
211.03975	0.7
213.05551	2.0
215.03391	7.5
217.04967	23.2
226.88354	0.4
227.03403	8.0
227.07025	0.8
229.04958	2.6
239.03377	1.2
241.04909	2.6
243.02875	1.0
243.06491	1.1
245.04460	100.0
246.04851	0.8
257.04486	4.6
259.06195	0.6
263.06964	0.6
269.04422	1.4
273.03842	0.5
283.05905	0.5
287.05460	2.0
291.06461	0.6
319.06039	1.4
321.07269	0.5
333.07361	0.9
337.07257	0.7
351.08755	1.0
355.94473	0.4
361.07175	1.6
363.08624	0.9
367.08109	1.0
379.08112	4.7
389.06659	0.8
393.09656	0.6
395.07599	0.7
397.09201	17.7
407.07629	2.2
409.09189	0.7
421.09402	0.5
425.08676	39.1
437.08035	0.5
439.10831	0.5
466.06461	0.5
559.12091	1.1
577.13422	38.6
578.13251	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.1342
Annotation	Dehydrodicatechin A
Peak:m/z	Relative Intensity
51.02384	1.0
53.62827	0.9
55.01871	3.7
55.48630	1.0
58.59135	0.9
65.03944	1.7
67.05503	1.5
68.99790	5.2
70.65965	1.0
71.24576	1.4
72.08141	2.5
77.03933	1.4
79.05490	3.2
83.05003	1.3
85.02905	3.8
89.03925	3.6
91.05474	3.6
93.03410	3.6
94.84640	1.1
95.04970	2.6
97.02887	1.7
98.97586	1.1
101.28905	1.0
101.38378	0.9
103.05405	1.8
103.61437	1.0
105.03419	2.3
107.04967	4.3
109.02861	1.6
111.04429	7.1
117.03401	2.5
119.04958	3.2
121.02881	1.8
121.06543	1.4
123.04436	38.9
127.03907	2.8
131.04919	4.1
133.02853	1.6
135.04422	35.4
137.02364	2.2
137.05995	1.9
139.03908	100.0
145.02814	3.4
145.06491	1.7
147.04419	36.8
149.02397	1.8
149.05989	4.4
151.03922	5.8
155.04936	2.6
157.06480	1.0
159.04443	3.1
161.06027	5.6
163.03914	85.0
164.04257	1.0
165.05550	1.1
167.03387	1.2
169.06439	1.2
170.41037	1.0
173.05966	2.9
175.03900	20.9
177.05490	10.4
179.03407	2.9
181.04961	41.3
181.06306	2.0
183.04416	2.9
185.06032	4.3
187.03877	7.5
188.06967	0.9
189.05498	4.6
191.03407	6.0
193.04956	2.4
197.06036	2.5
199.03943	3.2
199.07515	1.3
201.05481	11.5
203.03468	3.7
203.07066	2.1
205.04956	9.3
205.47742	1.0
213.05478	6.3
215.03433	4.4
215.07040	1.9
217.04961	3.8
219.06555	1.9
223.06029	10.0
225.05505	2.5
227.07109	1.7
229.04958	21.3
230.05705	1.4
231.03036	1.4
231.06445	2.4
233.04446	4.3
235.02246	1.7
235.07802	1.0
237.05391	1.3
239.03383	1.0
239.06952	1.2
241.04984	3.1
243.06544	1.6
245.04460	31.5
246.05377	1.8
247.06006	26.9
253.04959	3.5
255.06522	3.9
257.04404	2.0
258.05322	1.6
259.06033	15.1
263.06921	1.2
267.06400	1.3
269.04440	3.9
270.05408	1.4
271.05954	12.5
273.07593	8.1
275.06070	1.1
277.07095	4.6
279.06650	1.4
283.05969	15.9
287.05530	2.2
291.06424	1.3
295.06061	3.5
297.07599	2.3
301.07074	31.2
303.08685	2.8
309.07681	2.0
311.31351	1.0
319.05988	1.5
323.09015	1.8
333.07602	3.7
335.09070	1.4
337.07025	2.6
345.07623	1.7
349.07153	1.6
351.08731	1.3
355.08246	6.9
361.07062	4.5
365.06607	1.7
367.08047	6.5
373.07120	1.8
377.06479	1.7
379.08115	19.4
381.09586	1.7
391.08145	5.6
397.09366	6.0
403.08093	2.5
407.07629	27.5
409.09259	2.4
419.07599	10.2
421.09225	10.2
423.11426	1.3
425.03131	2.0
425.08679	30.5
431.07895	2.7
437.08704	8.6
449.08737	1.5
473.09674	1.9
524.50787	1.0
531.12653	2.1
541.11334	19.3
559.12378	7.5
577.13348	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	576.4473
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	5.1
55.05510	14.6
57.03436	14.9
57.07074	37.4
60.09434	3.8
65.38701	3.8
65.61619	4.2
67.05504	24.5
69.07063	6.9
71.08630	28.1
73.74201	3.9
79.05501	15.1
81.03416	75.7
81.07046	26.8
83.04993	5.0
83.08620	14.6
85.10188	13.5
91.05492	27.2
92.05837	5.6
93.07041	18.8
95.04964	16.7
95.08611	28.4
97.10188	7.0
98.23587	4.2
105.07050	30.2
107.04964	6.9
107.08581	10.8
109.06507	4.4
109.10155	13.3
111.08090	6.2
115.05397	5.5
117.07035	8.5
119.08562	23.4
121.10152	10.2
123.11689	5.7
129.06938	5.3
131.04947	6.2
131.08568	8.9
133.10144	9.3
143.08580	6.5
147.08066	7.1
147.11688	14.7
148.11984	4.6
157.10132	8.8
159.11716	8.8
165.29460	4.2
173.09625	4.8
175.11232	11.1
193.12248	22.8
264.77896	4.7
267.15948	100.0
281.19034	10.4
282.19241	9.8
313.27380	90.9
313.30750	7.5
371.89172	4.4
382.24203	4.2
458.31616	4.3
463.19495	5.3
476.32364	7.3
505.38882	90.8
558.40851	11.7
576.41418	42.4
576.50293	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	575.41
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	3.5
55.05507	10.4
57.07077	5.8
65.03954	2.9
67.05509	26.6
67.41914	2.2
69.07066	10.1
70.01264	11.0
71.08636	16.8
71.74270	2.4
79.05509	23.9
79.72201	2.3
81.03426	5.9
81.07063	35.4
83.08620	5.0
87.04466	8.9
87.19499	2.4
91.05482	36.7
92.03123	2.3
93.07042	32.6
95.04996	5.1
95.08612	27.3
97.06506	6.6
97.10181	3.0
98.20724	2.4
99.08099	12.8
105.07030	40.9
107.04940	4.0
107.08599	22.9
109.06530	3.7
109.10155	12.3
117.06999	4.2
119.08573	23.0
121.06536	10.6
121.10146	19.4
123.11771	3.5
123.64733	2.3
124.41390	2.3
129.06964	3.7
131.04961	12.2
131.08563	6.0
133.06496	16.3
133.10136	12.6
135.08067	3.3
135.11700	20.5
137.09586	2.6
141.09001	2.5
143.08601	7.1
145.06500	7.5
145.10144	9.7
147.08003	12.6
147.11684	38.2
149.09636	2.9
149.13264	4.4
151.11133	6.8
155.08594	3.4
157.06529	2.7
157.10172	5.3
159.08076	10.8
159.11723	6.8
161.13269	10.9
163.11221	2.6
163.14868	3.8
171.08080	5.9
171.11717	4.0
173.09610	25.6
173.13161	4.0
175.11182	2.6
177.12759	2.5
179.14319	69.6
181.30692	2.3
185.09639	6.2
187.11227	6.4
187.14786	2.3
197.09625	2.5
199.11140	8.3
199.14867	3.4
201.12801	2.8
211.11238	3.0
225.12755	5.9
235.16995	3.0
253.15839	3.5
259.20538	3.9
263.17953	4.9
277.21658	83.3
281.19025	100.0
295.22617	10.3
356.74139	2.8
575.41144	8.1
575.50195	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	575.4103
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	6.3
55.05502	12.4
57.07059	9.8
67.05501	35.9
69.07064	12.9
71.08630	9.1
71.13558	9.1
79.05476	31.3
79.40580	5.3
80.29202	5.8
81.03416	9.2
81.07059	37.9
83.08631	12.0
87.04465	24.6
91.05490	64.2
93.07043	38.3
93.95720	6.0
95.04954	15.0
95.08610	25.3
96.59555	5.2
105.07039	56.8
107.08579	22.9
109.10142	16.9
117.07011	19.4
119.08578	41.4
121.06493	18.3
121.10161	10.6
129.07014	13.0
131.04959	11.5
131.08554	16.4
133.06529	14.1
133.10144	21.1
135.08107	6.4
135.11696	12.3
143.08530	8.6
145.06479	61.2
145.10101	18.0
147.08035	57.7
147.11697	55.0
155.08582	11.3
157.10126	14.0
159.07953	10.3
169.10156	7.4
171.08078	10.1
171.11664	12.4
173.09592	29.6
181.10126	9.0
183.08080	6.2
185.09680	10.9
185.13089	7.9
187.11179	7.9
193.10016	10.3
225.12849	7.4
239.14397	7.0
271.79877	7.8
273.70236	5.4
277.15744	7.5
277.21805	6.7
279.17456	47.9
281.18991	100.0
283.15430	15.3
284.15741	13.1
311.16449	20.2
313.27423	9.5
314.27921	13.3
315.16748	7.6
423.32907	6.9
522.38623	8.4
539.38531	9.0
540.39978	7.5
557.40247	32.8
575.26331	7.6
575.40607	30.5
575.49634	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	576.4259
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.7
55.01877	8.4
55.05510	9.4
56.05031	1.5
57.03442	3.0
57.07080	5.2
64.93099	1.2
67.05500	11.0
68.05031	1.1
69.03463	1.4
69.07066	5.2
70.02961	1.7
70.06600	6.5
70.75514	2.7
71.04996	14.4
71.08631	3.5
73.95739	1.2
79.05510	5.2
80.05019	2.6
80.63966	1.0
81.03429	10.3
81.07058	10.8
83.04979	1.6
83.08612	7.9
85.10185	2.1
86.06081	2.6
91.05479	5.7
93.07048	4.6
94.06551	1.8
95.04968	2.6
95.08614	6.0
96.08135	6.2
97.06509	1.2
97.10182	9.9
98.09704	17.6
103.60579	1.1
105.07053	4.1
105.90315	1.1
106.06522	2.2
107.08586	5.2
108.08125	5.8
109.10157	5.0
111.08106	1.2
119.08625	3.4
120.08070	2.8
121.10155	1.6
122.06027	15.9
124.07613	14.6
125.09654	6.6
129.07030	2.1
131.08568	1.7
134.06068	1.8
136.07593	15.7
140.07076	12.7
142.98044	1.1
147.11723	1.2
147.29811	0.9
148.07584	15.6
149.08385	6.2
157.10155	1.7
162.09140	1.1
173.14557	1.0
175.11122	1.9
189.11205	1.9
193.12329	5.2
198.14813	1.3
232.17000	11.8
250.18054	21.1
260.16495	39.1
267.15924	16.1
268.19138	5.1
278.17557	26.7
290.45352	1.2
296.18585	49.9
313.27390	15.5
505.39011	10.5
527.06592	1.3
558.41559	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	575.3949
Annotation	Unknow
Peak:m/z	Relative Intensity
50.06094	2.0
53.03944	9.9
55.01871	11.3
55.05514	64.8
57.03440	13.3
57.07065	7.0
59.04999	4.4
65.03933	5.6
65.47425	2.4
67.05505	100.0
69.03426	9.4
69.07069	38.5
71.05001	20.7
73.06527	2.0
79.05495	80.5
81.03421	19.4
81.06585	4.9
81.07056	82.6
83.04968	14.0
83.08620	26.2
83.32743	2.3
85.02895	7.3
85.06530	7.5
91.05486	72.4
93.07043	73.4
93.07632	3.8
95.04962	18.7
95.08614	65.0
97.02879	2.8
97.06521	13.4
97.10181	29.9
99.08104	12.9
105.07034	66.7
107.04960	12.5
107.08595	48.7
109.06506	12.2
109.10165	29.1
111.04440	4.2
111.08078	10.0
115.05449	2.8
116.35471	2.3
117.07013	32.7
119.08582	50.4
121.06503	14.9
121.10144	31.8
123.08079	10.2
123.11714	4.8
125.09628	23.5
128.06187	7.6
129.05515	3.3
129.07011	24.4
131.08572	47.4
133.06482	5.3
133.10136	32.0
135.08069	10.9
135.11726	14.7
137.09605	5.0
141.06973	7.8
142.07771	9.9
143.08551	29.0
145.06490	6.2
145.10114	43.4
147.08046	10.3
147.11668	17.1
149.09605	13.7
149.13235	4.3
151.11186	3.9
153.06996	3.3
153.09152	2.8
153.12788	2.6
154.07800	3.1
155.08549	14.5
156.09215	3.0
157.10130	31.4
159.08061	4.7
159.11705	31.3
161.09642	8.4
161.13260	10.4
163.11168	12.3
165.12753	2.3
167.08606	4.6
167.10709	2.6
168.09453	3.2
169.10133	22.4
171.11679	18.9
173.09636	7.8
173.13231	16.7
175.11192	8.8
179.14345	2.8
181.10085	11.7
183.11703	17.6
185.13280	11.5
187.11188	7.0
187.14799	8.4
189.11214	10.7
189.12779	2.6
193.12228	8.8
195.11671	8.8
197.13260	13.3
199.11223	4.0
199.13179	3.2
199.14830	9.9
201.12724	3.3
203.14441	3.3
207.11710	5.7
209.13275	7.9
211.13275	8.5
211.14977	4.7
217.15898	3.8
218.81914	2.6
219.13754	2.8
221.13358	3.1
223.14955	4.9
225.16383	4.6
227.12735	21.6
228.13092	3.2
229.14267	3.2
233.13110	2.5
233.15294	3.4
237.16400	3.5
242.54579	2.5
259.20480	3.7
267.15927	6.4
273.18491	8.5
275.20108	9.0
283.15439	2.8
283.20306	3.4
285.21991	6.7
287.20044	2.4
291.19504	26.5
292.19955	3.3
293.21143	3.7
297.22296	2.6
299.20407	2.6
299.23685	10.1
301.21738	4.1
321.22125	3.8
325.21561	2.7
327.23181	3.3
339.23315	3.7
347.22293	3.2
349.23877	3.2
357.24344	2.6
359.25720	2.8
365.23401	5.3
415.29861	7.6
421.25970	7.9
433.31094	23.2
451.32217	18.5
461.28940	5.5
469.33447	11.8
483.34576	3.8
489.34012	2.7
507.34766	11.1
517.35352	23.2
525.35785	73.3
543.36798	78.6
557.37573	25.6
575.37524	45.6
575.49896	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	575.3584
Annotation	Unknow
Peak:m/z	Relative Intensity
50.94855	2.3
53.03955	11.8
55.01878	23.0
55.05266	4.0
55.05513	52.4
56.96564	4.8
57.03431	15.3
57.07079	6.4
59.05005	5.0
61.02902	2.8
65.03951	8.7
67.05509	100.0
67.69656	2.6
68.20880	2.5
68.52218	2.4
69.03433	10.8
69.07074	51.2
69.84998	9.4
71.01357	4.1
71.04990	9.3
71.08620	3.1
73.02917	3.7
79.05499	90.6
81.03425	61.1
81.07061	100.0
83.04985	23.3
83.08627	28.2
85.02915	6.9
85.06544	6.2
91.04920	4.2
91.05484	74.7
93.07048	78.5
95.04982	35.3
95.08613	54.5
97.02906	10.3
97.06545	23.0
97.10181	27.6
99.04417	3.9
99.08096	3.6
103.05516	3.8
105.03373	3.2
105.04525	2.9
105.07035	57.7
107.04955	25.3
107.08596	56.4
109.06518	14.8
109.10165	43.2
111.04451	4.3
111.08077	11.4
115.05439	3.3
117.07020	25.1
119.08591	54.0
121.06490	15.8
121.10146	31.7
123.04422	4.2
123.08070	15.8
123.11697	8.7
125.09632	19.7
128.06244	3.3
129.07011	20.0
130.07782	3.4
131.04880	3.1
131.08572	31.1
133.06488	7.2
133.10132	37.3
135.08070	11.0
135.11702	30.0
137.09610	10.5
139.07486	4.5
141.07004	4.7
142.07791	5.3
143.08583	18.0
145.06483	6.3
145.10130	36.4
147.08105	13.1
147.11693	22.8
149.09630	19.4
149.13254	4.2
151.11169	6.5
155.08572	8.1
157.10181	15.4
159.08086	4.6
159.11674	16.7
161.06018	3.0
161.09660	7.7
161.13254	7.7
163.11177	27.2
165.09135	3.6
167.08507	3.5
169.10118	7.7
171.08069	3.2
171.10217	5.3
171.11717	12.5
173.09622	7.1
173.11739	7.0
173.13205	6.2
173.53214	2.6
175.11218	10.2
177.12759	4.4
181.10149	3.5
181.12253	7.8
183.11743	5.8
185.13341	3.2
187.11218	3.6
189.11230	9.4
193.12274	15.5
195.11909	4.4
195.13840	10.0
197.11655	2.6
197.13377	3.6
199.11218	4.1
199.14833	3.0
209.11607	4.3
219.13875	6.8
227.12776	46.5
229.07468	9.6
229.14426	11.0
231.13753	3.0
241.19635	6.2
241.49162	2.5
243.13972	3.0
247.08505	4.6
253.14542	3.2
257.18997	6.1
259.09973	2.6
259.20593	9.0
261.18420	3.2
267.09064	6.5
267.15884	37.6
269.92999	3.0
271.20737	3.0
273.18433	15.8
275.20093	28.8
283.15411	20.5
285.10114	7.2
291.19452	27.1
293.21027	5.7
299.14951	7.2
311.19925	5.5
313.21634	9.5
315.19611	4.6
329.21088	10.7
331.22592	6.2
333.20609	3.7
333.24216	4.8
347.22009	4.1
349.23972	16.7
365.23215	13.2
373.23703	3.2
391.24493	3.3
403.24896	6.7
421.25940	13.8
447.28442	3.5
461.29059	4.5
463.27084	5.1
465.30035	8.9
483.30994	9.7
539.34021	12.5
557.34863	75.6
575.35931	49.3
575.49750	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	575.1742
Annotation	Pabularin C
Peak:m/z	Relative Intensity
50.84426	0.3
53.03970	0.4
53.58196	0.4
55.05511	0.8
57.03402	0.3
61.02901	0.3
67.05500	0.9
67.50130	0.4
69.03415	0.9
69.07090	0.4
70.06584	1.5
70.61969	0.3
71.06903	0.3
71.18241	0.3
71.52909	0.5
71.81643	0.3
72.08154	0.6
79.05481	0.9
81.03419	1.1
81.07059	1.1
83.04986	0.4
83.08616	0.4
84.04501	0.4
84.08151	0.4
85.02890	1.7
85.06516	0.3
88.18404	0.3
91.05470	1.9
93.07037	0.6
95.04961	0.6
95.08602	1.0
97.02892	1.7
97.06548	0.8
98.97593	0.4
105.07018	0.9
107.04948	0.8
107.08573	0.7
109.02902	0.4
109.06529	0.4
109.10151	0.6
109.99313	0.4
112.07620	0.6
117.28366	0.3
119.08569	0.7
121.10155	0.4
121.24652	0.3
123.04425	0.6
123.08035	0.4
127.03886	0.6
133.10091	0.4
135.04437	0.4
135.08107	0.4
139.03911	0.9
140.07057	0.4
145.02850	0.4
147.04401	0.8
161.06032	0.5
163.03929	2.4
167.07039	0.3
173.06033	0.5
175.03867	0.5
177.05501	0.4
185.04242	0.6
202.08475	0.3
203.05299	1.3
207.06596	0.5
245.06427	0.4
251.06825	0.8
259.08014	1.2
303.04852	0.5
305.08398	0.6
347.09479	12.6
378.75787	0.3
575.17352	100.0
576.17859	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.1183
Annotation	Luteoskyrin
Peak:m/z	Relative Intensity
53.03959	1.3
56.96563	3.0
65.03925	2.6
68.99780	3.3
69.03426	2.3
69.52997	9.9
72.08131	3.2
78.62422	1.4
79.05481	4.3
84.93083	1.4
85.02888	2.5
89.03922	5.2
92.16703	1.3
93.03414	2.2
94.48692	1.5
95.04955	1.7
96.73064	1.4
98.97576	1.8
103.05489	1.6
107.04950	4.8
111.04436	1.5
117.03392	4.7
121.02828	2.8
123.04436	9.3
127.03936	2.7
131.04959	2.0
135.04427	17.0
137.02347	3.3
139.03912	38.6
145.02876	7.7
147.04405	11.0
149.02365	3.4
149.05927	2.8
151.03911	5.7
153.01822	1.9
159.04404	3.2
161.05922	2.5
163.03909	84.3
164.04265	3.5
168.98109	4.2
175.03940	5.6
176.04742	2.1
176.14276	2.4
177.05440	6.1
179.03360	2.3
181.04979	6.7
186.99147	3.2
187.03877	10.9
189.05373	2.6
189.06943	2.4
191.03410	6.4
193.05029	1.4
199.03914	2.5
203.03415	5.0
205.04948	5.3
215.03401	2.2
216.04263	3.8
217.04936	1.7
219.01637	1.5
219.08003	1.6
223.07538	1.7
229.04945	2.2
231.06442	2.6
233.06052	2.0
235.07466	5.0
244.03818	2.3
245.04285	3.1
247.07523	5.3
249.05360	2.3
250.06320	1.6
251.07077	4.6
259.05789	2.0
263.07098	7.6
265.08447	3.0
267.06537	2.3
273.05414	4.6
275.07068	6.9
279.06442	5.6
283.05933	1.7
287.05249	11.3
291.06592	7.5
292.07251	2.1
293.08066	2.8
295.05960	4.1
299.05533	3.2
301.04752	3.0
303.06558	8.8
306.05267	1.8
307.06091	2.4
309.07538	4.8
311.09119	2.1
315.06607	2.2
317.07950	2.7
319.05997	13.2
320.06714	2.1
321.07526	4.2
323.05426	3.4
331.05939	5.4
333.07565	3.6
335.05209	3.8
337.06909	8.4
343.04889	2.3
347.05490	6.5
348.06226	1.8
349.06949	7.2
351.08514	4.9
353.06577	11.0
359.05295	2.2
361.06921	4.5
363.04941	2.8
363.08942	2.1
365.06577	11.6
366.07297	4.0
367.03690	2.3
367.08105	27.6
367.12662	2.1
377.06396	6.1
379.08179	9.1
383.07532	3.3
389.06247	2.6
391.07825	1.9
395.07666	67.4
407.07687	17.6
419.07721	3.3
423.06836	2.8
425.08676	2.1
437.08664	6.5
441.07156	1.7
451.08450	1.9
511.10156	2.3
529.11249	10.6
539.02173	2.2
539.09784	38.9
557.10809	100.0
558.32721	2.3
575.11847	34.6
575.20569	2.2
575.35510	11.1
582.08289	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	574.4314
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	3.7
55.01853	6.0
55.05510	16.5
57.03427	14.4
57.07077	43.3
61.97486	2.6
67.05507	30.8
69.07064	14.9
69.19058	6.9
69.19482	17.6
71.04996	4.0
71.08281	3.4
71.08636	30.3
79.05499	21.3
81.03423	18.1
81.07063	30.7
83.05000	14.2
83.08624	18.6
85.02888	3.3
85.06551	4.7
85.10175	13.4
87.04470	38.2
89.06019	2.4
91.05497	19.5
93.07050	28.6
93.48412	2.6
94.90234	2.6
94.90917	2.5
95.04979	9.0
95.08600	30.8
97.02895	9.1
97.06523	8.2
97.10149	8.5
105.07014	8.0
107.04967	12.7
107.08595	14.6
109.06506	2.8
109.10168	16.9
109.71507	2.4
111.04440	9.1
111.08014	2.9
115.70049	3.2
117.07018	6.1
119.08607	13.2
121.06527	6.7
121.10175	13.0
123.08051	4.9
123.11725	5.2
131.04955	3.8
131.08560	6.9
133.10110	3.9
135.11740	17.5
135.12564	3.0
145.10115	14.2
147.07953	6.2
153.12741	15.7
155.08554	5.2
163.11198	34.5
173.09660	4.4
181.12225	12.3
191.10680	10.6
195.78273	2.6
209.11736	35.5
212.26413	2.7
227.12749	21.2
265.14325	6.1
277.21829	2.8
283.15417	26.5
301.16464	71.8
313.27359	100.0
335.80637	2.6
360.57523	3.1
503.37195	3.5
521.38330	43.4
539.39410	64.8
556.59491	2.7
573.50580	2.9
574.39557	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	574.4113
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.0
55.01875	7.1
55.05517	8.2
57.07077	1.7
67.05504	8.2
68.05027	1.8
69.03429	2.3
69.07070	2.0
70.02953	2.9
70.06597	6.7
71.04996	14.1
78.54176	0.8
79.05491	8.0
80.05008	3.2
81.07067	7.3
83.08633	4.3
84.21178	0.9
86.06057	2.2
87.04476	10.5
91.05501	5.3
93.07055	4.6
93.15105	0.9
94.06548	2.2
95.04940	1.7
95.08603	4.7
96.08128	7.0
97.10181	8.9
98.09696	19.0
105.07020	3.0
106.06557	3.3
106.07256	1.0
107.08580	4.0
108.08120	5.8
109.10157	2.3
117.07012	1.7
119.08557	3.1
120.08131	1.7
121.06523	1.3
121.10159	1.2
122.06023	15.3
122.09677	1.0
124.06734	1.0
124.07605	15.2
125.09644	5.7
129.20612	0.8
131.08511	1.0
133.06503	1.1
133.10132	1.7
135.08043	1.4
136.07591	18.2
137.09518	1.4
140.07063	11.1
145.10107	1.5
147.11690	1.2
148.05696	0.9
148.07570	14.9
149.08353	6.5
153.09041	1.1
157.10196	1.1
162.09100	2.3
176.10815	0.9
185.32518	1.0
189.11171	1.6
204.04703	0.9
229.49699	1.1
232.16957	9.6
242.15196	1.3
250.18051	20.2
260.16476	39.5
268.19162	5.6
276.20703	0.9
278.17538	22.5
293.10052	0.9
296.18585	48.4
376.92783	0.9
410.11777	0.9
410.81366	0.9
510.32562	1.0
511.46176	0.9
556.40021	100.0
574.38934	2.5
574.48572	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	573.4514
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	7.9
54.60104	1.9
55.01857	3.6
55.05513	22.4
57.03462	2.4
57.07078	14.9
65.03945	1.9
67.05507	47.5
69.07069	24.7
71.04993	1.9
71.08625	13.6
72.22835	2.0
79.05070	2.6
79.05495	32.7
81.03418	16.2
81.07055	46.8
83.04983	6.4
83.08614	8.8
85.06541	4.1
85.10158	4.1
87.04442	2.4
91.05488	24.7
91.69898	1.8
93.07048	56.2
95.04974	15.7
95.08603	40.9
97.06525	10.5
97.10171	9.2
98.21518	4.5
99.08087	4.8
105.07040	21.6
107.08570	23.9
109.06539	3.0
109.10149	18.1
111.11739	3.0
117.07021	7.5
119.08590	18.9
121.10130	26.9
123.08080	2.9
123.11697	7.5
131.08553	8.7
133.10103	11.4
135.11693	13.4
136.19432	1.9
137.09607	10.1
139.11169	10.4
143.08524	3.2
145.10133	6.6
147.11694	8.7
149.09587	3.2
149.13260	7.6
151.11154	6.9
153.12839	2.3
155.08517	2.5
157.10109	5.2
159.11690	6.9
161.13234	6.7
163.11218	2.9
163.14720	3.1
171.11710	4.8
173.13292	4.6
175.14798	4.0
177.16359	3.5
185.13283	4.9
187.14766	2.3
189.16315	2.2
193.15907	2.1
201.16335	2.8
203.12810	11.6
221.15346	3.2
241.19518	5.5
243.21075	4.0
249.22058	2.4
249.57857	1.9
259.20544	4.2
261.22043	4.4
275.20193	2.6
277.21631	100.0
279.23233	8.2
281.18948	2.3
295.22675	77.0
303.23322	9.8
313.27512	3.4
317.24652	2.7
371.33017	11.3
373.31030	7.1
537.42639	2.6
555.44696	9.7
573.49243	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	573.3037
Annotation	1-palmitoyl-sn--glycero-3-phospho-D-myo-inositol
Peak:m/z	Relative Intensity
53.03939	0.6
55.05509	3.8
57.03440	4.4
57.07078	23.0
59.04999	0.6
62.18822	0.4
67.05506	6.8
69.07072	4.3
70.53192	0.3
71.04970	0.5
71.08633	17.9
71.22062	0.6
71.86032	0.3
75.04469	0.4
79.05479	1.5
81.03429	3.8
81.07056	7.5
83.05000	0.4
83.08616	4.7
85.06538	0.6
85.09668	0.5
85.10184	10.2
89.06003	0.7
91.05488	0.6
93.07032	1.2
95.08611	10.9
97.10166	3.1
98.98470	25.3
103.07600	0.6
105.07021	0.4
106.82358	0.4
107.08567	0.8
107.78107	0.4
109.02877	3.7
109.10162	6.2
111.11736	0.6
112.52313	0.4
116.99505	0.4
117.70694	0.4
119.08563	0.6
121.10175	0.6
123.11717	1.4
123.28291	0.4
131.08565	0.5
137.13322	0.6
143.88382	0.4
145.10152	0.5
155.01050	23.1
163.06044	0.4
173.02116	1.3
193.89766	0.3
239.23708	3.6
243.02644	0.5
256.60071	0.4
257.24670	0.5
261.03708	1.1
275.20267	0.4
313.27371	100.0
314.27747	0.5
317.06458	2.3
335.07446	2.0
383.23950	0.6
384.24680	0.4
393.23987	5.0
401.29050	3.1
495.69324	0.4
537.28137	3.1
555.28809	0.7
555.36786	0.5
573.40308	0.5
573.48749	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	573.154
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01587	0.4
51.02378	0.8
55.05509	0.4
56.05035	1.2
60.04529	0.4
67.05494	1.4
68.99796	0.7
70.06596	0.3
70.96432	0.4
70.99570	0.3
74.00667	0.4
78.03457	3.3
79.05481	0.8
81.03418	0.7
81.07032	0.4
84.04502	4.3
85.02902	0.3
86.02436	0.3
87.63914	0.2
88.04001	1.9
91.05479	1.4
93.07034	1.4
94.95475	0.2
95.00356	0.3
95.04954	0.5
95.08637	0.4
96.04492	100.0
98.99014	0.4
100.03939	0.3
103.05471	0.3
105.07018	0.9
107.04934	1.7
107.08572	0.3
108.04470	0.4
109.01149	0.3
109.02885	7.2
109.10155	0.8
110.02359	0.3
110.99032	0.5
112.03963	0.5
113.00601	0.5
116.01694	0.7
119.04969	0.8
120.01175	0.5
120.99561	0.9
121.02871	0.9
121.06510	0.7
122.14914	0.2
123.02657	0.5
125.00573	0.8
125.09606	0.3
126.01344	0.3
128.03464	1.3
128.06171	0.2
129.07011	0.3
130.05006	7.1
131.04930	0.4
131.08607	0.3
133.06470	0.7
134.07257	1.2
134.99019	0.4
136.07581	35.8
137.00536	0.3
139.03891	0.4
141.00070	0.6
143.04860	0.2
145.60182	0.2
147.04388	0.3
148.04974	0.2
149.05978	4.8
151.02109	1.4
153.00009	0.3
154.00818	0.4
156.02924	0.6
159.04504	0.2
161.01698	0.3
162.02214	4.0
162.98463	1.3
163.03935	0.3
165.00064	2.6
167.01666	0.6
168.99535	4.8
171.01025	0.3
171.04440	0.3
172.03326	0.3
173.05951	0.3
174.03967	1.3
179.01645	2.6
180.00873	0.3
180.02409	3.5
184.03494	0.4
184.05199	0.5
185.05838	0.3
186.06743	0.3
195.01122	17.7
201.05388	0.4
202.06288	0.6
203.01555	0.3
206.01283	0.3
209.05734	0.3
211.02153	0.3
213.05402	0.4
218.03989	0.6
224.08301	0.4
229.05081	1.3
231.01071	0.7
235.04222	0.4
240.02411	0.7
240.07715	0.4
242.09366	0.9
243.10219	0.3
246.03467	0.9
252.07816	3.1
257.02701	0.7
257.06033	0.2
263.03741	0.4
269.06213	0.5
271.04208	0.5
271.09601	0.3
272.05026	0.5
272.10461	0.4
275.07410	0.8
285.05685	0.4
287.03806	0.3
289.05447	0.3
297.05740	1.1
301.05234	0.5
303.06836	8.5
305.08450	0.8
309.07364	0.2
329.04547	0.4
329.08423	7.6
339.06927	0.3
356.09451	0.4
357.07916	1.9
360.08881	0.2
374.10590	0.3
375.08905	1.7
392.11624	5.5
394.09521	0.3
398.10657	1.9
400.12061	1.1
416.11642	3.3
424.12146	2.5
434.12497	1.2
487.15347	3.9
507.95001	0.2
511.15375	1.0
529.16418	20.1
555.14435	1.3
572.30701	0.3
573.15387	3.0
573.32196	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	573.1538
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01600	0.3
51.02372	0.8
55.01866	0.2
55.05492	0.3
56.05033	0.7
56.63983	0.1
56.75304	0.1
57.54095	0.1
60.04529	0.2
62.11542	0.1
64.08446	0.2
67.05500	0.4
68.99775	0.2
69.07075	0.2
69.55637	0.6
74.00673	0.8
78.03452	2.6
79.05490	0.4
81.03419	0.6
81.07050	0.4
84.04515	1.8
85.84879	0.1
86.02437	0.4
87.00811	0.2
88.04000	1.2
91.05478	0.9
93.07060	1.1
95.04975	0.2
96.04496	100.0
98.21434	0.3
100.03997	0.4
103.05473	0.2
105.07030	0.4
107.04954	0.6
107.08598	0.2
109.02885	3.8
109.06526	0.2
110.02409	0.3
110.99043	0.3
112.03988	0.3
114.00529	0.2
116.01707	0.4
119.04926	0.3
120.01146	0.2
120.99574	0.8
121.02853	0.3
121.06516	0.2
123.02680	0.3
125.00616	0.2
128.03447	0.9
128.06209	0.1
130.05016	4.7
133.06459	0.3
134.07301	0.3
134.98981	0.3
136.07590	2.0
137.00603	0.2
140.99982	0.3
146.04524	0.2
147.04463	0.2
149.00629	0.2
149.06000	3.2
151.02129	0.9
154.00928	0.2
156.02916	0.7
161.01736	0.3
162.02222	2.5
162.98473	1.0
165.00102	1.4
167.01616	0.4
167.08406	0.2
168.99568	0.6
173.06013	0.2
174.03967	2.0
179.01611	2.1
180.02411	2.2
184.03493	0.4
187.56157	0.1
188.00156	0.2
195.01122	11.9
197.06085	0.2
200.03046	0.2
202.06331	0.2
203.01593	0.2
206.01147	1.2
210.02028	0.1
212.02876	0.3
216.02371	0.2
218.03937	0.5
223.07674	0.2
224.08229	0.2
225.05573	0.2
228.02296	0.2
229.04942	0.2
231.01224	0.2
240.02493	0.6
240.07823	0.3
242.09474	0.5
246.03403	0.8
252.07834	1.6
257.02686	0.9
257.08255	0.3
269.06332	0.4
271.04327	0.2
271.09546	0.3
272.05106	0.8
272.10364	0.4
275.07382	0.4
297.05899	0.7
301.05243	0.4
303.06842	4.5
305.08438	0.7
314.05988	0.2
329.04877	0.3
329.08411	5.7
331.06430	0.2
339.06946	0.4
343.08826	0.2
344.62338	0.2
346.10977	0.2
356.09668	0.3
357.07959	1.7
375.09033	0.8
376.08679	0.2
392.11642	4.0
398.10629	2.0
416.11697	2.7
424.12369	0.2
434.12735	1.7
442.09695	0.4
460.10358	0.8
478.11371	0.3
487.15335	0.9
529.16400	4.6
555.14392	0.4
573.15369	1.4
573.34100	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	572.4372
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	3.1
55.05505	9.8
57.07084	44.8
59.05017	15.5
67.05511	15.5
69.03422	2.9
69.07083	11.4
70.63564	6.4
71.08637	93.6
73.06573	3.1
75.72544	2.1
79.05516	14.3
80.05851	2.0
81.03424	4.9
81.07066	10.3
83.05002	3.8
83.08634	4.8
85.10191	50.1
87.04456	12.1
89.06039	100.0
91.05490	13.2
92.05794	3.3
93.07050	13.3
94.07375	2.2
95.04991	2.8
95.08613	8.3
97.10135	2.5
103.07600	4.5
105.07030	12.3
106.07388	3.6
107.04977	3.2
107.08595	4.0
109.10163	2.5
111.11646	2.7
113.41786	2.2
117.07022	4.0
117.09182	2.6
119.08594	7.6
121.06499	2.5
125.09610	2.8
127.14868	5.2
129.07028	3.3
130.08646	3.0
131.07021	3.0
131.08551	2.7
133.08614	75.6
133.10117	4.1
135.11737	3.1
143.08644	4.0
147.08086	2.5
147.11679	4.2
159.11707	3.3
171.11693	3.1
175.09677	4.5
177.11243	32.1
185.19064	8.1
209.06494	2.4
213.97758	2.1
221.13850	9.3
223.13280	3.6
229.21645	6.5
265.16376	3.5
270.25391	2.5
274.19006	4.2
283.17639	4.4
291.19507	11.9
292.19952	9.7
327.20166	3.7
332.52328	2.4
353.21634	3.5
371.22833	20.9
411.25784	5.5
415.25482	2.8
555.41113	6.3
572.36523	38.8
572.44342	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	573.1244
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02394	0.2
53.03946	0.5
55.01879	0.7
57.03423	0.2
65.03943	1.8
67.05508	1.2
68.99790	0.2
69.03448	0.3
69.18829	0.2
69.19138	1.9
70.06596	0.4
71.01367	0.2
71.64729	0.2
77.03930	0.2
79.05498	0.2
81.03423	0.4
81.07070	0.4
85.02932	1.0
85.25861	0.2
91.05482	0.3
93.03410	0.3
93.07060	0.2
95.04978	0.9
95.08615	0.3
97.02899	0.2
98.21449	0.4
100.14651	0.2
100.90357	0.2
103.03954	0.4
103.19270	0.2
107.01317	0.3
108.02101	2.5
109.02882	0.4
110.61630	0.2
111.04476	0.7
112.01579	0.3
120.08148	0.3
123.04435	0.4
125.06014	0.4
127.03951	0.3
136.01591	0.4
139.03885	0.3
141.05486	2.1
145.02847	0.3
151.03920	100.0
151.05008	8.1
152.04247	0.2
153.01781	0.3
163.03947	0.7
167.03435	0.4
169.05002	0.6
175.03897	0.2
177.05481	0.3
187.03947	0.5
201.05522	0.3
203.03540	0.3
211.03926	0.3
215.03362	0.3
217.04965	0.9
228.04202	1.0
229.05031	0.6
231.02899	0.5
232.03680	0.3
233.04433	1.6
239.03458	0.6
243.02797	0.2
245.04469	1.4
246.05301	1.2
249.03900	0.5
253.07158	0.4
256.03717	1.4
257.04443	2.4
260.03177	1.0
261.04007	1.2
267.02899	0.4
269.04550	0.4
271.05981	0.4
273.03952	10.8
274.04749	6.3
275.05560	0.7
281.04520	0.3
285.03961	7.1
287.02405	0.3
287.05493	1.4
288.02744	0.2
295.05984	0.5
297.03952	0.6
298.04568	0.4
299.05496	1.2
301.03516	0.5
303.05014	49.7
306.03949	0.2
309.04041	0.3
313.03763	0.3
313.07031	0.8
315.04974	0.7
323.05511	1.1
325.03394	0.2
327.05029	5.6
333.06134	0.3
341.06683	0.4
351.05020	3.1
357.06079	0.3
369.06067	2.7
387.07144	1.2
405.08215	1.3
423.09290	0.4
537.09918	0.7
555.11383	1.4
573.12415	5.3
573.26056	0.4
580.27814	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	572.2007
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03956	1.5
55.01867	0.9
55.05527	0.5
57.03442	0.8
57.07077	0.7
58.30098	0.3
61.02924	1.0
66.06048	0.3
67.05511	0.5
68.99804	0.7
69.03432	6.9
69.07082	1.3
69.74039	0.3
70.04078	100.0
70.06604	1.8
71.04995	1.0
71.16865	0.4
72.92026	0.3
73.02924	1.0
73.06561	0.7
75.28944	0.3
79.05508	0.6
81.03419	6.0
81.07063	0.6
83.06116	0.3
83.46090	0.3
85.02909	9.4
86.09705	0.5
87.00825	3.3
91.05513	0.4
95.08631	0.6
97.02895	3.7
99.04449	2.4
100.05132	0.5
103.03953	0.6
103.05471	1.0
105.01857	1.5
107.08589	0.4
109.02884	4.8
110.07176	1.1
112.08759	0.5
113.36327	0.3
114.87826	0.3
115.05470	0.9
116.06279	0.4
117.01859	0.4
119.08559	0.4
120.08124	0.7
121.10126	0.3
125.01550	16.5
127.03921	6.2
128.06252	0.9
129.01828	0.7
129.07036	0.6
130.07782	0.6
139.03098	3.2
142.07831	0.9
143.08516	0.6
144.09390	1.0
145.04930	1.4
147.02959	0.4
151.03090	8.2
151.04222	0.4
153.04616	0.3
159.02887	2.2
163.03069	2.6
165.04659	3.9
177.04657	1.6
179.06210	4.4
181.04214	0.9
191.06235	0.3
196.92761	0.3
200.29858	0.3
207.09270	0.7
213.03944	0.4
219.09479	1.1
231.05075	1.2
244.56308	0.4
271.49088	0.3
276.12766	1.8
288.12683	0.8
294.85974	0.3
306.13672	12.3
324.14737	69.2
450.15280	0.4
486.19873	2.3
510.20416	0.3
528.21112	0.6
554.18964	3.2
564.74249	0.3
572.20062	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	571.4361
Annotation	Unknow
Peak:m/z	Relative Intensity
51.40658	1.7
53.03938	10.1
55.01869	6.6
55.05271	2.7
55.05515	35.6
57.03443	3.7
57.07082	9.2
59.05017	2.3
60.29179	1.5
65.03951	3.0
65.79562	1.6
66.23000	1.7
67.05508	64.3
69.03429	4.1
69.07072	55.1
71.04990	6.9
71.08639	7.9
78.61685	2.0
79.05495	65.2
81.03438	15.6
81.07058	72.6
83.04974	9.4
83.08612	13.2
83.53162	2.0
85.06537	5.6
85.10213	1.7
89.06038	8.1
91.05485	50.1
93.07047	77.9
93.07642	3.8
93.68023	2.0
95.04973	25.1
95.08607	58.3
97.06537	11.1
97.10165	15.4
98.21519	5.9
99.08068	2.9
101.06059	2.8
105.07029	52.3
105.07695	3.6
107.04952	15.2
107.08596	37.0
109.06526	6.1
109.10166	23.2
110.64866	1.7
111.08070	3.1
111.11704	3.8
113.09649	3.4
117.07018	17.8
119.08583	43.6
120.09362	2.1
121.06497	2.7
121.10143	46.7
123.08111	4.0
123.11723	6.2
123.28210	1.8
128.06226	1.8
129.07005	6.8
131.08574	25.4
133.08617	3.1
133.10130	34.9
135.08089	11.6
135.11708	16.6
137.09634	13.7
137.13199	2.7
139.11176	19.3
143.08577	7.8
144.09349	2.1
145.10118	19.2
147.08054	3.2
147.11664	19.6
149.09641	9.0
149.13254	9.8
151.11203	7.3
155.08513	3.0
156.09364	1.9
157.10121	9.4
159.11708	18.6
161.13258	12.1
163.11160	4.8
163.14838	2.6
165.09108	4.2
165.12816	4.8
169.10089	4.7
171.11684	7.8
173.09727	2.0
173.13222	13.5
175.11237	3.0
175.14819	6.3
179.14374	2.5
181.12213	2.5
181.68623	1.9
183.11739	5.5
185.11734	2.0
185.13281	6.3
187.13312	2.3
187.14851	3.7
189.12717	2.0
191.14339	3.5
193.15836	3.2
195.13828	2.4
197.13290	4.3
199.14833	3.4
201.16388	3.0
203.12791	19.7
207.13889	2.3
211.14740	2.4
213.16440	1.9
221.15376	9.8
229.19417	3.1
233.15416	2.3
237.14848	8.9
239.17902	2.6
241.19617	4.8
243.21120	3.2
249.22379	1.7
257.19022	6.4
259.20615	7.3
261.22296	2.3
275.20065	89.1
276.20874	6.1
276.90921	2.4
277.21628	100.0
279.23212	4.8
293.21152	25.6
295.22702	47.1
295.25839	3.4
301.21732	2.6
303.23370	2.3
321.01675	2.0
359.29248	2.6
369.31589	10.8
371.29507	14.7
385.31055	3.5
409.03076	2.1
478.61588	1.8
517.40460	3.6
535.41333	6.8
553.42780	19.8
565.91125	5.1
571.43390	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	571.4165
Annotation	Unknow
Peak:m/z	Relative Intensity
54.56401	1.5
55.05509	9.4
57.03430	2.1
57.07076	100.0
58.04204	6.3
59.04718	2.1
59.05000	35.5
61.35035	1.5
67.05502	14.9
69.07078	7.9
71.04985	2.2
71.08635	69.1
72.05764	4.7
73.02923	2.2
73.06545	3.1
78.70186	1.5
79.05492	13.8
81.07069	21.8
83.04984	2.2
83.08619	11.3
84.52032	1.4
85.10188	62.4
86.07323	2.4
87.04457	6.8
87.08098	2.3
89.06030	13.8
90.01914	21.4
91.05489	13.1
93.07047	16.8
95.04955	2.9
95.08605	15.4
96.43204	1.6
97.06502	3.0
97.10175	6.7
99.11743	9.9
101.05972	2.4
101.09667	2.6
103.07577	5.7
105.07028	14.6
107.08604	10.9
109.06526	3.3
109.10158	5.6
111.08084	2.5
113.13230	2.8
117.07005	4.2
117.09129	9.9
119.08595	14.2
121.10138	8.3
122.32336	1.9
123.07991	1.8
123.11700	3.3
126.21572	1.8
129.06956	2.2
131.08553	6.8
133.08611	6.3
133.10123	11.5
134.41953	1.7
135.11696	7.4
143.08554	2.0
145.10141	6.8
147.10185	1.7
147.11691	11.3
149.09624	1.7
149.13264	4.5
152.15602	2.3
155.17912	8.2
157.10146	2.8
159.11688	4.0
161.11885	2.0
161.13235	6.9
163.11159	2.1
163.14792	3.0
165.12726	2.6
171.11679	2.0
173.13150	2.2
175.14854	3.7
177.16277	1.7
178.06993	2.6
179.12781	4.4
183.17357	3.2
185.13261	1.7
187.14856	1.8
195.08360	1.6
209.13812	2.2
212.21207	2.7
213.22095	12.8
222.09732	5.6
231.20889	2.1
237.16904	1.9
241.19553	4.5
243.21053	2.5
254.24734	1.9
259.20596	13.9
261.22168	6.8
266.12326	3.0
267.18002	2.5
271.26279	10.4
275.20071	5.7
276.90970	2.7
277.21588	7.1
284.13379	6.6
293.20935	2.9
295.22836	2.6
342.17560	4.0
372.22961	2.0
388.56250	1.7
420.36844	9.0
426.67191	1.8
535.41272	2.5
553.42310	5.4
555.17889	1.6
565.90784	4.5
571.42267	10.0
577.55389	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.4164
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	8.1
57.03431	7.9
57.06790	7.5
57.07075	100.0
58.04212	11.1
59.05003	60.8
60.81311	3.0
65.03948	3.2
67.05506	24.9
69.07066	13.9
71.08631	95.4
71.53034	4.5
72.05783	3.4
77.98226	3.5
79.05477	16.0
81.07054	21.1
83.08615	13.8
85.10184	85.2
87.04468	10.0
89.06023	16.2
90.01918	28.3
91.05482	13.7
93.07039	22.2
95.04980	4.8
95.08630	26.4
96.26743	3.8
97.10146	7.1
99.11753	9.3
101.09650	6.1
103.07549	3.9
105.07037	19.3
107.05022	3.4
107.08586	12.0
109.10169	11.9
117.06976	4.7
117.09132	15.7
119.08578	18.3
121.10162	14.7
129.07030	4.7
131.08566	7.3
133.08601	8.8
133.10143	14.5
135.11679	8.3
139.11221	5.2
141.16386	10.1
145.10127	11.4
147.11679	10.0
149.13232	3.9
155.08606	5.0
157.10089	4.4
159.11710	8.6
161.13345	4.1
165.09111	4.1
173.13289	5.5
175.13387	3.9
175.14857	5.3
185.13303	5.7
199.20604	19.8
221.15425	6.2
222.09735	5.8
257.24817	21.8
259.20605	16.0
261.22110	4.7
276.90915	4.1
277.21628	10.4
295.22757	5.8
298.14780	3.4
372.23041	4.0
420.36847	10.2
493.73898	3.7
535.16949	3.4
553.42822	7.9
556.28607	4.0
565.90948	9.5
571.42822	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	571.1661
Annotation	Unknow
Peak:m/z	Relative Intensity
52.98981	1.4
55.01869	5.3
57.03434	2.6
65.03936	2.4
67.05518	1.8
68.99788	1.9
69.96185	6.7
70.06594	2.4
72.08158	2.5
75.21681	1.7
81.03410	4.3
85.02905	9.6
91.05474	3.1
93.03392	6.7
93.57558	1.6
94.70463	1.6
95.01330	2.5
95.04976	3.5
97.02877	3.2
103.03920	1.8
103.05472	2.6
105.03394	2.2
107.04929	8.7
109.02888	10.7
111.04372	2.4
115.05483	2.7
117.03354	1.6
117.07027	2.7
117.16894	1.5
119.04942	6.2
120.08727	1.4
121.02872	100.0
121.03873	3.4
121.06487	2.4
123.04456	4.0
129.06970	2.4
131.04932	6.0
133.02852	1.7
133.06485	1.5
135.00769	2.3
135.04439	9.5
137.02304	1.7
139.03886	3.7
143.04910	1.7
144.08057	3.8
145.02849	4.9
145.06493	4.5
147.04401	5.5
149.02313	4.5
151.03871	2.7
159.04425	6.5
161.02275	3.9
161.05951	3.9
163.03912	10.5
165.01816	5.6
171.04462	2.6
173.02316	6.5
173.05922	8.7
175.00388	3.5
175.03906	5.9
177.01825	14.6
177.05438	7.2
183.04327	1.7
185.06000	2.7
187.03922	9.8
189.01817	21.8
189.05518	2.2
191.03400	7.4
195.02875	20.5
199.03902	2.3
201.01836	8.6
201.05498	6.9
203.03415	6.4
205.01360	6.1
205.04961	3.8
207.02922	17.7
213.01852	2.3
213.05396	2.6
215.03354	14.5
215.06993	1.7
217.01364	1.9
217.04999	4.9
219.02882	51.0
221.00905	4.2
221.04445	3.0
223.02368	10.1
225.03932	4.7
227.03394	5.3
229.01556	1.8
229.04956	9.8
231.02899	25.9
233.04468	9.5
234.25049	1.8
235.02304	2.5
237.03897	4.7
239.03377	3.8
241.04982	3.1
243.02879	25.6
243.06560	1.6
245.04546	5.5
247.06110	1.8
249.04034	8.5
253.04956	2.2
255.02893	11.7
257.04343	11.3
259.02481	3.6
259.05994	5.4
261.03922	37.2
263.12048	1.7
267.02988	3.2
269.04477	4.9
271.03094	1.9
271.05939	11.8
273.03958	22.7
275.05576	2.8
281.04507	7.1
283.03098	2.0
283.05966	7.5
285.03967	21.3
287.05908	1.8
289.03384	2.5
291.04868	8.9
295.06064	9.0
297.03970	15.5
299.05505	8.1
301.03766	2.0
301.06842	8.5
303.04935	8.8
309.03943	8.9
313.03470	2.5
313.06989	16.0
315.04971	6.6
321.06091	6.8
325.07175	12.2
327.04861	9.5
331.08047	2.7
337.07056	22.7
339.05011	6.6
349.06940	7.4
355.08148	23.0
357.06143	3.4
361.07285	5.5
365.06235	2.1
367.08136	27.2
379.08072	25.7
383.07214	2.0
385.09128	6.4
391.07980	19.6
395.62164	2.0
397.09134	19.0
401.08621	6.4
403.10452	25.8
409.09366	2.1
415.10068	12.2
421.09158	26.2
433.11053	14.1
439.10291	18.0
445.09280	3.2
451.10220	10.2
457.11322	19.2
463.10175	6.2
469.11292	31.4
481.11340	11.2
499.12338	9.7
517.13342	9.7
535.14392	4.2
571.16547	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	570.4577
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	2.1
57.07079	100.0
58.62466	0.7
59.05004	22.2
59.22729	0.9
64.58055	1.0
65.03881	0.9
65.25977	0.8
67.05523	2.0
67.62746	0.9
69.07054	3.5
69.84892	0.9
71.08635	74.1
73.06536	1.6
79.05505	1.4
81.07045	2.9
83.08617	2.1
85.10188	60.3
87.04471	5.4
89.06036	87.6
91.05489	2.2
93.07031	1.2
95.08604	1.4
97.10155	2.2
99.11742	12.7
101.09661	1.9
111.11751	1.6
113.13300	5.0
117.09138	4.8
119.08618	1.5
121.10175	0.9
130.08636	2.8
131.07045	2.7
133.08607	61.1
147.10165	3.0
155.17941	9.9
157.10107	1.2
175.09676	1.7
177.11235	32.8
195.12305	1.5
213.22134	22.4
219.12300	1.0
221.13879	4.6
235.25871	1.0
239.14854	1.8
265.16449	1.5
271.26340	10.1
283.17551	19.7
323.20697	2.5
327.20197	1.6
341.21756	7.5
371.22772	26.3
381.24704	2.6
552.41559	1.6
553.42780	3.0
560.98004	1.0
570.45837	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	570.3432
Annotation	Unknow
Peak:m/z	Relative Intensity
52.68526	0.6
52.91862	0.6
53.92603	0.5
55.05505	1.0
57.07071	5.6
58.06586	1.5
67.05492	1.8
69.07061	1.0
70.06597	13.5
70.69241	1.0
70.69576	1.1
71.08640	1.5
72.08142	0.8
79.05492	1.7
81.07053	1.3
83.04984	0.8
85.10184	1.2
88.07638	18.1
91.05470	1.1
91.79810	0.6
93.07034	2.0
93.11593	0.7
95.04987	0.8
102.08558	1.0
102.09188	11.8
105.03399	11.9
105.07043	1.4
131.04973	0.6
149.02361	9.6
149.05981	53.1
175.03923	1.0
179.57045	0.7
181.06517	1.1
183.36386	0.6
193.04961	8.8
212.23660	0.8
219.06499	0.9
256.26364	41.5
280.78802	0.6
297.07574	11.4
310.22479	0.7
341.10208	48.2
434.16431	0.6
502.89343	0.7
570.34271	100.0
571.34491	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	570.3556
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	1.2
57.06829	0.6
57.07079	5.9
59.04985	0.6
67.05492	2.6
69.07065	0.7
70.02953	0.6
70.97616	0.5
71.02989	0.5
71.08635	5.4
77.88672	0.6
78.49633	0.5
79.05484	1.5
80.16721	0.5
81.07040	1.7
83.08612	1.1
85.10189	3.0
87.04475	0.5
89.06026	4.7
91.05479	0.9
93.07039	1.1
95.04970	1.2
95.08587	1.3
98.98465	2.8
105.07035	1.5
107.08582	1.4
109.10130	0.6
117.07005	1.5
117.09155	0.6
118.06510	3.0
119.07322	3.3
120.43484	0.5
121.10173	0.8
123.04506	0.6
124.99999	11.1
133.08575	3.2
134.09654	31.8
144.08075	10.0
145.08867	4.7
160.11220	100.0
177.11241	1.4
178.12271	89.1
253.38248	0.5
258.08911	61.5
313.27390	0.7
371.22687	0.9
404.70139	0.5
423.08664	0.6
552.34406	8.2
553.43201	0.8
570.35486	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	570.2186
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.6
55.01870	1.4
55.61197	0.5
57.03442	4.0
57.48296	0.5
58.20051	0.5
60.08156	2.2
61.02930	6.4
63.51980	0.4
65.03938	1.3
69.03085	0.8
69.03436	10.2
70.06578	0.7
71.05002	1.2
71.07377	0.8
73.02920	2.5
79.05501	1.9
81.03425	4.9
81.07070	0.5
83.05035	0.5
85.02910	65.2
86.09715	10.6
87.04475	1.8
91.03971	4.2
91.05486	100.0
92.05785	0.6
95.04988	0.8
97.02897	19.8
98.21513	1.1
98.98479	0.7
99.04456	2.3
104.10737	1.2
105.07062	0.7
105.69049	0.5
107.04963	31.0
107.08601	0.4
109.02885	5.6
115.03927	0.7
125.00011	6.2
127.03926	17.1
127.64155	0.5
128.56772	0.5
145.04970	32.1
147.04483	0.9
163.03922	1.1
163.06009	10.1
184.07347	37.3
190.80164	0.5
208.09653	0.7
219.10301	0.8
229.08591	4.0
298.71793	0.6
325.11584	1.0
452.24683	0.6
534.32013	0.7
552.32996	0.8
570.17419	0.6
570.34119	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.4204
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	6.5
55.01871	2.6
55.05518	21.4
57.03434	2.1
57.07073	9.2
67.05508	31.9
69.03426	3.6
69.06736	2.2
69.07076	32.0
69.14536	18.5
70.06581	2.3
71.04993	3.3
71.08641	2.9
79.05498	42.4
81.03423	4.8
81.07059	42.3
82.06608	1.7
83.04991	6.2
83.08632	10.3
85.06554	3.9
85.10158	1.7
90.12339	1.6
91.05489	41.1
93.07045	47.1
93.72540	2.2
95.04974	12.1
95.08611	27.8
97.06544	6.1
97.10173	9.0
103.05491	2.1
105.07033	34.9
107.04964	15.0
107.08596	22.5
109.06512	3.7
109.10162	7.1
111.08089	3.0
111.11812	1.9
115.89787	1.9
117.07043	12.3
119.08591	33.1
120.31739	1.7
121.06483	2.2
121.10157	23.7
123.08050	2.6
129.07039	5.5
131.08568	18.7
133.10143	26.8
135.08084	11.5
135.11681	7.0
139.11224	14.2
141.07022	2.2
143.08636	3.7
145.10129	17.9
147.08121	2.0
147.11691	17.4
149.09647	6.6
149.13266	5.5
157.10136	5.3
159.11688	11.1
161.13281	5.9
163.11208	7.9
165.12856	2.2
169.10167	1.8
171.11693	7.8
173.13275	4.4
175.14781	3.4
183.11639	4.3
185.13261	4.4
187.14835	3.3
199.14854	2.3
203.12834	7.7
211.14999	2.3
229.19582	2.6
237.14859	4.9
239.17885	2.3
241.19458	2.5
245.49182	1.7
247.20554	2.0
257.19000	8.9
259.20602	8.7
275.20087	100.0
276.20779	4.1
277.21646	12.6
293.21130	20.2
311.29398	1.9
312.29730	2.2
315.24017	1.9
367.29990	2.3
369.28152	3.8
441.33218	2.0
533.39844	2.6
551.40741	6.9
569.41974	11.3
569.57245	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	569.2935
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	0.5
56.96562	0.7
67.05506	2.1
67.75236	0.4
69.03407	0.4
69.07069	0.8
71.52309	0.6
79.05477	0.9
81.03411	0.8
81.07053	1.4
85.02913	1.0
85.54609	0.4
91.05495	0.4
93.07047	0.5
95.08585	0.4
97.02925	0.8
97.06549	0.5
99.10213	0.4
105.07030	0.7
107.08623	0.7
108.17632	0.4
109.02920	0.5
109.10157	1.9
115.24458	0.4
119.08597	0.7
123.04507	0.5
131.08563	0.6
133.10184	0.5
163.11107	0.4
173.11719	0.7
184.07391	0.7
185.04239	0.6
199.06564	0.6
203.05357	1.2
209.47644	0.4
229.07443	2.2
247.08652	1.7
259.07825	0.6
301.12970	1.4
301.63284	1.7
331.10318	0.8
391.19998	0.6
407.24063	1.6
413.68793	0.4
457.20499	2.3
471.21878	3.8
487.21997	0.4
569.29303	100.0
570.29431	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.2934
Annotation	Unknow
Peak:m/z	Relative Intensity
52.46381	0.2
55.01039	0.2
55.05512	0.4
67.05502	0.4
69.07060	0.3
70.16164	1.1
74.70998	0.2
81.07056	0.4
85.02931	0.3
88.26860	0.2
91.05485	0.4
93.07059	0.3
95.78110	0.3
104.10742	0.3
105.07038	0.5
109.02952	0.3
109.10186	0.5
119.08568	0.3
163.03915	0.4
182.02016	0.3
184.07368	1.0
185.04254	0.7
207.41962	0.3
246.35051	0.2
259.07993	0.3
295.15131	0.3
309.16782	0.5
331.09708	0.6
353.12247	0.3
387.16086	0.3
401.17618	0.3
407.23892	1.5
457.20422	3.3
471.21994	2.7
479.26483	0.4
487.21497	1.0
551.28247	0.3
569.29321	100.0
570.29572	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.4205
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	3.6
55.01864	3.6
55.05518	24.8
57.03439	2.4
57.07072	2.2
59.04979	1.3
65.03928	3.1
67.05508	32.4
69.03416	2.5
69.07072	27.9
71.04981	3.7
71.08643	1.3
73.06515	1.5
77.03999	0.9
79.05499	40.1
81.03407	3.4
81.06593	1.8
81.07061	36.4
83.04979	6.9
83.08203	1.1
83.08627	10.7
85.02852	1.1
85.06541	2.9
87.04453	0.8
91.04905	1.0
91.05484	37.7
93.07047	50.7
95.04975	13.3
95.08611	26.1
97.06551	7.8
97.10192	5.7
99.08038	0.8
103.05432	1.5
105.04523	1.4
105.07034	40.8
107.04290	1.6
107.04960	16.7
107.08595	23.6
109.06503	2.8
109.10159	8.5
111.08068	4.0
111.11765	1.2
115.05396	1.4
117.07014	12.2
119.06020	1.1
119.08584	34.4
121.06497	3.8
121.10145	24.8
123.08066	3.0
123.11688	2.6
125.09632	3.1
129.07024	5.0
130.07808	0.9
131.08578	18.2
133.06436	1.3
133.10132	28.7
133.32869	0.9
134.10837	1.3
135.08044	10.8
135.11691	8.8
137.09570	1.9
139.11166	10.5
141.06982	2.0
143.08566	7.0
144.09334	1.0
145.09059	1.3
145.10126	17.8
147.08064	2.1
147.11694	16.9
148.12447	1.0
149.09624	12.8
149.13287	4.5
151.11157	2.1
155.08606	2.7
157.10143	4.8
159.11699	11.3
161.09624	2.1
161.13264	6.7
163.11221	10.3
167.10675	2.0
168.09390	1.0
169.10098	4.6
171.11720	6.1
173.09630	2.5
173.13283	7.0
175.11275	1.6
175.14801	3.0
177.12718	2.5
179.14259	0.9
181.10054	0.9
181.12267	1.3
181.56758	1.0
183.11684	4.5
183.13824	1.2
185.13222	3.0
187.11131	1.4
187.13289	1.1
187.14787	3.1
189.11272	1.2
189.16464	1.1
191.14313	1.6
195.11763	1.8
195.13651	1.6
197.13268	3.3
199.14812	2.2
201.12764	1.7
203.12791	6.1
205.12289	1.0
207.13782	1.5
211.14848	1.6
213.16342	1.6
215.14352	1.0
215.18008	1.2
219.13896	1.9
221.15132	0.9
223.13181	4.5
229.19550	1.2
231.18016	0.8
231.20944	1.2
233.15266	1.1
237.14728	5.4
239.17915	4.8
241.19467	1.9
247.17003	1.1
247.20590	1.7
257.19012	9.5
259.20538	6.9
275.20074	100.0
276.20822	6.5
277.21658	14.6
293.21112	22.6
295.62949	0.9
301.21704	1.9
311.29425	1.2
315.23071	0.9
343.26227	1.9
367.30087	1.9
369.27811	2.0
423.32449	0.9
441.33496	1.6
515.38843	1.1
533.39874	2.2
551.40912	5.4
569.42383	11.8
569.56836	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	569.2938
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05498	0.5
57.03430	0.3
57.07060	0.3
67.05499	1.2
69.07076	0.5
70.06610	0.3
71.52573	0.4
79.05479	0.4
81.03421	0.5
81.07071	1.0
83.08614	0.4
86.09694	0.6
91.05486	1.1
93.07063	0.6
95.08562	0.4
95.14576	0.3
95.65636	0.3
97.02908	0.5
97.10155	0.4
104.10773	0.4
105.07050	0.5
107.08609	0.7
109.10162	0.9
119.08533	0.3
124.56660	0.3
125.00012	0.3
131.08565	0.4
133.10161	0.7
173.06000	0.5
181.36842	0.3
184.07309	1.8
185.04276	0.4
227.57545	0.3
229.07530	0.3
309.16986	0.4
331.10101	0.7
407.24207	1.3
457.20532	3.2
471.22083	4.9
479.25824	0.5
487.21710	1.5
539.69391	0.4
569.29321	100.0
570.29950	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	568.3248
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	0.5
55.05500	0.6
56.05021	0.9
57.03438	0.3
58.06312	0.6
58.06598	10.2
59.07383	10.0
60.08165	11.8
67.05518	1.5
69.07079	0.5
70.06612	0.3
70.52251	0.9
71.07375	3.6
79.05479	0.5
81.03425	0.6
81.07050	0.9
83.08591	0.3
86.09708	36.4
91.05483	0.6
93.07045	0.7
95.04957	0.4
95.08621	0.4
98.98462	1.8
104.10746	86.9
105.07044	0.5
107.08624	0.4
109.10159	1.1
111.08006	0.2
117.07051	0.3
125.00011	18.4
129.05467	0.9
147.11687	0.3
155.14508	0.2
163.01599	0.4
166.06345	0.3
184.07344	100.0
196.13434	0.3
210.09012	0.6
222.08919	3.7
224.10472	0.6
226.08443	1.6
238.08444	1.8
239.09309	0.9
256.09470	4.7
258.11127	1.1
272.21857	0.3
281.10184	0.6
282.10956	0.4
294.11044	0.3
299.11310	2.9
312.12048	4.5
326.13730	0.9
331.10162	2.7
340.15283	0.5
354.16922	0.8
368.18387	0.5
383.20724	0.3
394.20038	0.7
412.20959	3.5
415.19794	0.8
423.36649	0.3
438.22742	1.4
452.24185	0.7
462.22498	0.7
469.68741	0.3
473.23102	0.3
480.23819	1.4
516.30859	0.3
532.30109	0.7
533.31091	0.7
534.31787	3.1
550.31689	1.9
568.32465	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	568.4274
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01637	0.9
51.02369	1.8
53.00299	0.8
53.03946	2.6
55.05512	10.7
57.07085	7.4
59.05004	1.6
62.54134	0.8
63.03581	0.9
65.03943	2.9
67.05169	1.5
67.05505	15.4
69.03413	3.0
69.07063	13.6
69.31293	5.9
69.31705	2.3
71.08627	1.9
75.99689	0.8
77.03929	2.1
79.05495	22.6
80.06264	3.4
81.07059	33.8
83.04984	2.6
83.08609	5.5
85.06549	3.7
85.10178	1.5
91.05482	42.0
92.06263	2.5
93.07047	51.5
94.07838	2.5
95.04970	37.7
95.08608	26.5
97.06539	2.7
97.10174	1.6
97.46263	0.8
98.18806	0.9
98.57634	0.8
102.09099	1.1
103.05477	4.2
105.04519	2.6
105.07034	84.7
106.07837	4.5
107.08597	45.1
108.09396	2.5
109.06526	4.2
109.10164	18.1
111.08109	1.8
115.05417	4.7
116.06229	3.0
117.07016	26.4
117.07850	1.3
118.07803	3.2
119.08585	100.0
120.09373	7.7
121.06520	3.3
121.10140	31.9
122.10907	1.4
123.08068	15.6
123.11689	6.1
125.09652	3.0
128.06227	10.9
129.07004	17.2
130.07797	8.8
131.08569	47.8
132.09349	13.1
133.10133	53.0
134.10915	7.6
135.08069	5.9
135.11694	17.0
137.09636	6.1
138.10394	9.9
139.11201	2.2
141.06984	7.8
142.07793	17.3
143.08560	41.0
144.09343	14.4
145.10123	89.2
146.10922	4.8
147.08078	2.5
147.11696	23.7
149.09627	5.2
149.13287	3.9
151.11198	4.4
151.14853	0.9
153.06982	2.5
154.07787	2.3
155.08562	14.6
156.09341	15.7
157.10132	53.8
158.10918	10.6
159.08121	1.6
159.11696	45.4
160.12509	4.8
161.09651	6.9
161.13257	9.6
163.11234	3.2
163.14886	1.3
165.07048	3.8
165.12727	1.4
166.07774	2.3
167.08565	7.6
168.09322	5.8
169.10124	27.9
170.10916	8.0
171.11693	35.3
172.12508	7.6
173.09674	1.1
173.13255	29.3
173.14674	1.6
174.14064	2.4
175.11223	1.9
175.14824	21.6
177.12756	4.8
178.07867	0.9
179.08562	8.5
180.09360	4.4
181.10123	14.2
182.10904	7.9
183.11705	25.9
184.12477	5.8
185.13252	25.9
185.14854	1.4
186.14072	8.8
187.14821	15.0
189.12804	4.0
189.16434	1.7
191.14301	10.0
192.09349	2.2
192.15121	3.1
193.10109	7.4
193.15878	1.7
194.10927	8.3
195.11708	20.0
196.12466	6.6
197.13278	28.7
198.14046	7.5
199.14796	12.9
199.16336	1.2
200.15492	2.2
201.12799	5.1
201.14700	1.2
201.16374	6.4
203.14317	2.4
205.10164	1.7
205.15942	2.3
206.10966	3.6
207.11659	9.9
208.12419	5.7
209.13261	23.8
210.14030	2.5
211.11552	1.2
211.14824	19.4
212.15518	1.7
213.16443	5.6
215.14380	1.5
215.17865	1.3
217.15857	5.0
219.11772	2.6
219.17508	3.4
220.12518	2.4
221.13287	6.9
222.14095	1.5
223.14815	12.2
224.15639	5.3
225.16406	8.8
226.17192	2.9
227.14407	1.4
227.18045	2.3
229.15842	1.5
231.11749	2.1
231.17555	2.6
232.12436	1.2
233.13332	3.5
235.14854	6.8
236.15698	1.4
237.16405	9.3
238.17265	1.7
239.14371	1.3
239.18031	5.5
241.15906	1.6
241.19571	3.1
243.17493	1.7
245.13287	1.6
246.14091	1.8
246.19901	1.9
247.14862	2.8
248.15756	1.0
249.16414	3.9
251.18033	3.3
253.15703	1.1
253.19569	3.9
255.17574	1.7
257.19061	3.9
258.19949	1.4
259.20682	4.2
260.15622	1.4
261.16449	2.8
262.17670	1.0
263.17896	4.4
264.18698	1.5
265.19550	6.0
267.21164	1.8
269.18982	1.2
270.19778	1.4
271.20645	1.3
273.16446	1.5
275.18051	2.9
276.18790	1.8
277.19504	4.3
279.21121	1.7
281.19156	1.1
283.20712	4.7
283.72055	1.0
284.21133	1.1
284.29385	1.3
285.22180	3.4
287.18265	1.4
289.19641	1.3
291.21222	1.6
297.22235	3.2
305.22644	2.6
309.22141	1.6
311.29321	1.1
318.23160	1.1
319.20892	1.3
323.23724	7.9
331.24139	1.5
337.25336	2.8
338.26038	55.7
345.25824	1.1
349.25208	2.0
351.26855	3.2
362.26328	1.3
375.26880	2.1
415.30109	1.1
420.30188	4.2
429.31689	1.1
430.32422	18.3
450.10294	1.1
458.35486	2.4
476.36539	26.6
518.46655	0.9
550.41931	1.5
568.33722	2.2
568.42780	45.8
568.56818	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.3376
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	4.3
53.09971	2.0
55.01871	3.2
55.05512	19.2
57.03443	2.7
57.07072	16.3
61.02919	3.8
62.27246	2.4
65.03948	2.2
67.05511	30.5
69.03413	8.8
69.07074	80.1
70.06596	3.1
71.04980	7.0
71.08624	4.6
71.53130	4.0
72.08141	2.3
75.01847	2.9
79.05501	14.1
81.03415	8.7
81.06592	5.0
81.07061	100.0
83.04975	3.9
83.08617	19.0
85.02911	25.8
85.06551	29.4
87.00826	6.1
91.05463	9.8
93.07032	19.1
95.04955	5.1
95.08611	74.5
97.02930	12.9
97.06532	25.4
97.10155	11.9
98.97581	6.8
99.04444	5.0
99.08128	3.1
105.01862	15.0
105.03393	6.7
105.07044	7.2
107.04986	3.9
107.08593	21.7
109.02897	5.8
109.10161	46.2
111.11709	25.4
113.08896	4.8
113.09651	80.5
116.98631	2.7
117.07028	2.5
119.04895	2.4
119.08593	7.1
121.06496	6.0
121.10153	17.8
123.04444	8.3
123.11710	26.7
125.13247	3.2
127.03933	11.9
127.11217	3.1
128.11580	2.3
129.12758	33.9
131.08574	3.1
133.10118	4.6
135.11682	16.4
137.05968	5.5
137.13266	55.9
139.03947	12.0
139.11145	4.1
145.02773	3.1
145.04942	4.6
145.10202	2.6
147.04416	4.5
147.11699	2.6
149.13242	13.8
151.14822	10.3
153.05362	2.9
155.14311	10.6
157.12207	15.8
158.99615	2.8
159.11617	2.8
163.03909	18.8
163.14813	10.2
164.04247	3.4
165.16393	3.4
167.07068	6.0
173.02362	4.7
177.05537	2.7
177.16373	8.8
181.04924	7.5
184.07443	4.9
187.07631	3.0
191.03380	7.1
191.17921	14.0
205.19482	3.9
215.07047	6.2
231.05069	2.8
237.02771	3.7
247.24216	23.8
249.06046	4.1
259.09766	17.8
260.09967	2.9
265.25266	39.8
277.10721	5.6
283.26346	29.0
355.11041	3.1
424.73792	2.8
489.10693	4.3
503.24506	3.3
567.20020	4.7
567.31531	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	568.325
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	0.2
56.05043	0.4
57.03443	0.3
58.06588	2.1
59.07383	1.7
60.08168	6.0
67.05511	0.5
69.03452	0.2
69.07094	0.2
70.06599	0.2
71.07370	2.5
71.08629	0.1
71.52280	0.1
72.08127	0.1
79.05500	0.3
79.74960	0.1
81.03414	0.2
81.07055	0.3
83.04929	0.1
85.02937	0.1
86.09708	28.1
91.05487	0.3
91.70819	0.1
93.07069	0.3
95.08618	0.2
97.02908	0.2
97.06535	0.1
98.98470	2.5
104.10748	4.4
107.04884	0.1
109.10199	0.2
125.00008	18.1
129.05482	0.3
157.08679	0.2
168.04225	0.4
184.07346	100.0
185.07735	0.1
210.08876	0.9
222.08986	0.1
238.08450	0.1
239.09189	1.3
240.09941	0.1
258.10983	0.3
299.11243	0.3
312.12070	0.3
326.13620	0.1
331.10199	0.4
340.15128	0.2
400.15555	0.1
412.20786	0.5
415.19492	0.1
438.22360	0.3
462.22165	0.3
467.09134	0.1
480.23584	0.2
533.30646	0.2
534.32452	0.2
550.31036	0.5
568.32550	3.1
569.28931	0.2
586.89050	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	567.2777
Annotation	Unknow
Peak:m/z	Relative Intensity
50.57986	0.5
53.03938	1.0
55.01842	0.5
55.05511	2.5
57.03424	0.6
61.29683	0.4
61.68457	0.6
67.05514	8.8
69.03406	1.6
69.07072	2.9
69.22289	3.4
69.22704	0.9
79.05469	1.9
81.03419	4.0
81.07056	4.9
83.04971	1.1
83.08602	1.4
85.02898	1.1
86.09721	1.1
91.05474	3.1
93.07041	3.4
95.04954	1.7
95.08593	1.7
95.21173	0.4
97.02867	1.2
97.06514	1.1
97.10163	0.6
104.10749	0.4
105.07031	1.2
107.08583	1.5
109.02882	1.1
109.10164	4.2
111.04375	0.8
117.06978	0.6
119.04940	1.0
119.08572	1.1
121.10109	1.1
123.04437	21.7
124.99984	1.0
125.09583	0.6
127.03870	0.6
131.08524	1.1
133.10136	0.7
135.04404	0.6
137.06073	0.5
139.03844	1.3
141.17113	0.4
145.10091	0.7
147.04395	2.8
147.11772	0.7
149.13275	0.8
151.03931	2.4
153.05431	1.1
159.11739	0.8
161.05988	0.6
163.03899	1.9
165.05478	1.6
173.11736	1.1
175.03896	1.0
177.05441	1.2
184.07388	3.7
185.04207	1.0
187.03915	0.6
189.05450	2.8
189.09093	0.5
195.13795	0.5
201.03685	0.5
203.07047	0.8
215.06987	0.6
217.12646	0.5
226.81613	0.4
229.14311	0.7
259.13327	1.0
275.07281	0.5
277.21756	0.5
280.75323	0.5
285.07529	1.8
285.14984	0.7
287.12787	1.7
305.13849	0.9
307.14874	0.8
323.09189	0.7
329.13940	0.6
331.10028	3.8
339.17603	0.8
366.78339	0.4
369.24210	1.2
373.14554	0.8
387.16422	0.7
387.21439	1.3
397.23621	2.1
405.22208	1.3
409.23862	0.8
415.24857	7.1
423.27267	1.3
427.24799	1.7
437.15839	0.8
438.16492	0.6
439.17444	0.8
455.18976	1.6
469.20410	5.8
498.20688	0.7
531.27374	1.8
539.28406	0.6
549.26849	21.2
567.27625	100.0
568.28326	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.0729
Annotation	Unknow
Peak:m/z	Relative Intensity
66.50328	0.5
68.75465	0.4
71.50789	0.4
72.31757	0.4
89.72475	0.4
94.93023	7.0
129.08351	0.4
139.91519	0.6
144.48203	0.5
174.15573	0.5
176.01120	0.5
192.93074	2.1
196.87076	0.4
224.95644	100.0
242.95798	2.7
260.96863	0.6
262.91269	0.6
284.96866	1.1
314.97922	0.9
381.08096	0.8
386.99686	0.5
404.30728	0.4
416.77582	0.5
567.06641	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.2777
Annotation	Ghalakinoside
Peak:m/z	Relative Intensity
55.05486	1.8
56.96549	0.9
57.03428	1.1
67.05506	6.6
69.03397	1.3
69.07034	1.3
70.23399	1.5
71.04977	0.9
73.02893	0.8
79.05506	2.6
81.03434	3.9
81.07060	4.8
83.04961	0.8
83.08592	1.4
84.28416	0.4
85.02878	1.4
91.05478	3.0
93.07043	2.5
95.04942	0.9
95.08567	1.8
97.02850	0.9
97.06516	1.1
97.10153	0.7
105.06972	1.9
107.08551	1.7
109.02872	0.9
109.10168	3.2
111.04385	0.6
111.08044	0.6
119.08550	1.1
121.06409	0.5
121.10110	1.7
123.04441	4.0
125.09550	0.6
127.03870	0.9
131.08510	0.8
133.10098	1.1
135.07999	0.7
135.11568	0.6
137.09560	0.4
147.11670	0.7
149.09573	0.7
163.03848	0.6
171.92654	0.5
173.11678	1.2
175.11195	0.6
184.07233	1.4
185.04210	0.8
189.05521	0.5
193.12126	0.7
203.05148	1.9
229.07397	0.6
229.14246	0.6
233.11615	0.9
251.12491	1.4
259.07764	1.6
267.15869	0.6
277.21429	0.8
283.14944	1.5
285.07578	0.8
290.39246	0.5
307.14722	0.9
331.09988	3.6
339.17520	1.8
367.15121	0.7
373.14297	1.1
387.21143	1.3
405.22491	1.0
415.24582	0.9
423.27457	0.8
455.18872	1.0
468.36105	0.5
469.20724	4.2
531.29041	0.7
549.26721	21.2
567.27411	100.0
568.28589	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	566.1854
Annotation	Unknow
Peak:m/z	Relative Intensity
54.09020	0.5
56.96569	0.9
67.05491	0.9
69.03428	0.9
70.06585	1.5
71.52869	0.5
72.08157	0.9
78.76955	0.6
79.05508	0.9
81.03428	0.8
81.07033	0.7
83.04993	0.6
84.08168	0.6
85.02908	1.9
86.09705	0.8
91.03973	0.5
91.05486	1.2
95.04945	0.7
95.08632	0.5
97.02898	3.2
97.06514	0.8
98.62710	0.6
98.97603	0.7
104.27793	0.5
105.07035	2.1
107.08604	0.7
108.04509	1.6
109.02887	0.6
109.10172	1.0
116.07130	1.1
119.04935	1.1
119.08569	0.7
120.08120	0.8
121.06470	1.0
121.10167	0.6
123.04446	5.5
124.04748	1.1
127.03879	0.6
130.08664	0.5
131.07310	0.7
131.08519	0.8
135.04532	0.6
137.05983	1.1
137.09575	0.7
139.03923	1.2
145.02878	0.9
146.09669	4.8
147.04393	1.3
149.05998	0.8
152.03146	0.6
160.11237	1.7
161.06131	0.8
162.32364	0.6
163.03897	3.2
177.05438	0.9
184.07387	1.5
187.86076	0.6
191.03462	0.9
219.17467	1.2
237.18536	0.8
256.03729	0.6
256.09518	1.5
257.04291	1.6
258.04828	0.9
264.52969	0.6
269.04428	1.0
270.04831	1.5
278.13867	1.1
282.20627	0.7
286.10803	0.9
293.34360	0.5
294.11252	0.5
306.54797	0.5
316.11395	1.3
318.07242	0.9
318.13129	14.7
327.05023	1.7
328.05377	2.7
346.12558	9.3
348.10464	1.0
354.10596	1.0
363.27081	0.6
413.12656	0.7
414.12793	1.0
450.09027	0.7
462.17371	2.2
480.18445	29.9
506.15643	0.8
522.19476	54.0
566.18445	100.0
567.18091	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.4093
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	4.1
55.01868	7.6
55.05507	15.4
57.03441	11.8
57.07077	34.0
61.37641	2.1
62.74781	2.3
63.20354	2.4
65.03931	4.6
67.05506	52.4
69.03419	3.4
69.07072	17.5
69.35583	8.3
69.36008	10.5
71.01363	5.9
71.04980	4.4
71.08631	27.0
79.05499	28.9
81.03421	30.6
81.07057	35.7
83.04999	5.8
83.08620	16.7
85.06514	2.3
85.10191	14.5
91.05482	30.5
93.07040	25.1
95.04969	59.4
95.08609	34.6
97.06505	5.6
97.10165	10.0
99.04492	2.2
105.07037	30.0
107.04903	11.2
107.08601	22.1
109.02876	10.5
109.06524	6.3
109.10123	15.3
111.04425	3.8
111.08099	4.7
117.07014	10.0
119.08575	23.8
121.06511	9.5
121.10168	17.5
123.04428	68.7
123.08105	2.8
123.11747	3.2
125.09634	4.9
129.06995	10.0
130.07722	2.8
131.08572	14.1
133.06494	2.9
133.10118	15.6
135.08054	6.2
135.11676	13.8
137.05930	2.6
142.07819	5.6
143.08604	12.1
145.10124	21.8
147.08020	8.0
147.11700	7.5
149.05923	2.6
149.09630	6.6
153.09106	6.0
155.08618	4.0
156.09364	5.3
157.10147	12.3
159.11749	6.4
161.13239	4.7
163.11176	19.4
167.08691	2.7
167.10632	3.0
169.10114	7.9
171.11662	16.5
173.09631	13.6
173.13258	7.7
175.14819	2.5
181.10062	4.5
181.12219	2.8
183.11731	4.0
185.13283	4.1
189.12790	9.4
191.10675	7.2
192.09282	3.1
195.11708	5.2
197.13187	6.2
199.11252	5.2
199.14783	3.0
207.11826	5.4
207.13797	14.5
209.13281	4.9
211.14879	2.8
217.12277	13.7
221.13358	3.1
221.15395	7.6
222.49911	2.3
223.14915	4.4
225.16658	2.9
235.13271	83.3
237.16312	3.2
239.23723	8.1
251.17792	2.7
253.14439	3.3
257.24731	4.3
282.00085	2.4
309.16983	65.2
313.27356	100.0
430.93356	2.2
473.34146	2.7
480.09558	2.6
540.22192	2.5
547.39862	75.2
565.40509	46.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	566.185
Annotation	Unknow
Peak:m/z	Relative Intensity
53.69699	0.5
55.05520	0.6
56.05022	0.6
67.05499	1.1
69.03437	1.5
69.07040	0.5
70.06596	1.2
71.04977	1.4
71.53083	0.8
72.08150	0.8
75.16634	0.5
79.05503	1.6
81.07069	2.2
83.04986	0.6
84.04519	1.0
85.02905	1.6
87.04459	1.1
91.05476	1.5
93.07022	1.4
95.08624	1.5
97.02894	1.9
97.06545	1.2
99.08109	0.6
105.07040	3.9
107.08595	1.2
109.06458	0.6
109.10176	1.7
111.04451	0.5
112.07623	1.1
115.03944	1.1
116.07119	1.0
119.08577	1.4
121.10141	1.1
123.04437	3.4
125.09648	1.7
127.07536	0.8
131.08556	0.7
133.10110	3.4
135.04439	0.9
137.06009	0.9
139.03918	1.6
140.07077	0.6
143.10670	4.1
145.02986	0.7
145.10147	0.8
146.09659	5.0
147.04427	1.1
147.11707	0.8
149.13187	1.1
158.09703	0.7
160.11295	1.7
161.05977	0.6
163.03925	2.8
164.04195	0.7
167.03442	0.6
167.14360	1.4
177.05544	1.0
181.05008	0.9
184.07368	0.7
189.09100	0.6
191.03479	2.9
191.07162	0.5
193.08644	0.7
201.16399	0.9
202.48671	0.5
218.87119	0.5
219.01620	0.6
219.17490	4.0
221.08098	2.9
231.10239	0.8
237.18541	1.1
256.09418	1.1
257.04510	0.5
259.09616	2.8
269.04437	0.6
286.10522	1.2
297.03705	0.5
309.11273	0.5
316.11597	1.0
318.13174	12.3
327.05246	0.7
328.05356	0.9
343.08231	0.9
346.12613	8.1
348.10397	1.1
356.15976	0.7
376.78769	0.5
379.11597	1.2
397.12811	4.3
404.22748	1.1
462.17511	2.7
480.18423	32.4
506.15482	0.8
522.19507	54.1
531.16510	0.9
548.16296	0.8
566.18469	100.0
567.18512	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.3009
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	6.3
55.01870	8.9
55.05515	16.9
57.03427	7.2
59.04993	3.3
61.02905	3.1
65.03940	3.2
66.50987	1.3
67.05508	49.6
69.03439	16.3
69.07072	11.1
70.06544	1.7
71.01358	1.4
71.04985	4.2
71.52461	1.7
73.02920	3.6
73.16897	1.5
79.05497	24.2
81.03419	29.0
81.07056	34.6
83.04971	6.6
83.08625	9.9
85.02911	26.7
85.06550	3.3
87.00809	8.3
91.03934	2.0
91.05472	28.0
93.07065	21.6
95.04973	22.8
95.08619	18.1
97.02892	12.5
97.06540	42.1
97.10201	8.8
99.04460	6.6
99.08083	2.6
101.02349	2.6
103.05459	3.9
105.01849	7.2
105.07030	21.9
107.04964	8.7
107.08602	19.6
109.02879	16.3
109.06519	21.9
109.10160	39.5
111.04446	5.4
111.08066	3.7
115.05429	2.2
117.07010	6.9
119.04937	4.4
119.08604	17.2
121.02885	4.1
121.06509	10.2
121.10139	9.0
123.04425	11.8
123.08069	9.5
123.11694	2.4
125.09641	8.2
127.03922	19.1
128.06216	1.8
129.01843	2.0
129.06992	7.5
131.04932	6.3
131.08562	11.4
133.06508	4.5
133.10139	14.3
135.04408	3.6
135.08069	7.5
135.11684	6.6
137.05952	4.0
137.09724	1.9
139.03938	3.7
139.11192	1.7
143.08565	5.8
145.04944	5.9
145.06465	5.6
145.10123	10.7
147.04417	9.3
147.08028	4.9
147.11729	9.1
149.06007	4.4
149.09595	15.6
149.13237	10.9
153.09146	2.7
155.08517	3.3
157.06482	2.3
157.10100	7.4
159.02896	7.4
159.08047	2.5
159.11679	6.3
161.05971	7.1
161.09648	5.4
161.13284	4.5
163.03906	5.1
163.07668	1.7
163.11217	6.8
163.14836	2.0
167.07207	1.9
167.08562	2.0
169.10086	3.8
171.08038	5.0
171.11697	6.1
173.05965	6.7
173.09563	2.5
173.11736	9.4
173.13264	10.5
174.06689	2.1
175.07553	2.1
175.11195	4.4
175.14825	5.3
177.12755	5.0
181.06505	1.9
183.08046	2.6
183.11708	4.3
185.05937	2.3
185.13194	7.8
187.07556	5.9
187.11165	2.9
187.14859	2.0
189.05426	6.6
189.09111	1.8
189.11208	3.6
189.12741	3.8
189.16376	2.1
191.03423	2.4
193.12286	3.7
197.13214	3.0
199.14813	2.3
201.09210	2.1
203.07085	2.2
203.14368	4.8
211.14865	2.2
225.16258	2.4
227.12743	2.6
229.05055	3.3
229.07358	2.1
229.14305	17.6
231.05016	3.5
233.15198	1.7
235.13229	2.7
245.04456	3.1
255.13736	2.6
256.03488	2.2
257.04425	18.2
259.13519	2.1
273.14893	16.0
281.22656	27.6
283.13229	6.6
285.14935	2.9
287.05487	3.0
299.23697	100.0
301.14386	17.4
317.13611	5.2
317.24734	21.6
319.15527	10.0
327.16071	2.0
337.14075	2.3
339.15933	2.1
341.10095	5.4
350.24191	2.7
353.10208	22.5
355.15424	6.0
356.15891	3.3
373.16476	6.9
375.17981	6.9
383.11282	4.0
393.18793	3.9
409.08875	2.5
413.12131	2.4
416.15866	5.1
416.66302	1.8
437.23047	2.1
461.18542	1.6
473.25204	1.6
479.18872	9.7
487.26727	2.2
505.07678	2.4
505.14948	38.5
505.27032	2.4
511.26889	3.3
517.27875	7.2
521.19989	20.9
529.28033	22.4
547.29022	27.9
565.18805	49.1
565.29736	22.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.2798
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	2.5
55.01876	2.4
55.05513	7.4
56.99268	1.0
57.03417	2.0
65.03937	4.2
67.05508	57.9
69.03436	1.7
69.07056	4.6
71.04996	1.2
71.53123	1.4
76.36131	0.9
77.03928	1.2
77.98970	0.9
79.05492	14.6
81.03404	5.4
81.07056	14.1
83.04976	3.4
83.08600	3.2
85.02881	2.0
91.04965	1.9
91.05479	15.5
93.07045	9.1
95.04975	5.9
95.08624	7.4
97.02882	2.3
97.06506	1.4
97.10139	2.0
103.05385	1.3
105.03358	2.7
105.07031	8.6
107.04937	1.8
107.08595	6.6
109.02872	2.6
109.06500	1.4
109.10162	14.7
111.04444	1.2
117.07073	5.0
117.07773	1.2
119.04939	7.3
119.08600	7.9
121.06493	2.6
121.10141	2.7
123.04432	100.0
129.07027	2.3
131.08542	4.4
133.06422	1.5
133.10153	8.5
135.04425	2.0
135.08043	2.2
135.11691	1.8
137.05960	2.6
137.09613	2.0
139.03888	5.3
141.06966	1.4
143.08543	3.1
145.10132	4.8
147.04411	20.9
147.08047	1.7
147.11702	4.4
149.05986	2.1
151.03912	15.8
153.05441	2.4
155.08635	1.7
157.10162	1.9
157.72826	1.3
159.11665	2.7
161.05972	3.4
161.09659	1.3
161.13222	1.3
162.49504	1.2
163.03899	9.3
163.07539	1.9
163.11247	1.3
165.05489	13.5
169.10074	1.3
171.11774	1.6
173.06032	1.7
173.11794	3.1
173.13245	1.8
175.03951	4.4
177.05437	7.0
179.07048	32.6
179.08556	2.6
179.10608	1.7
183.08072	1.2
187.03806	1.3
187.07492	1.3
189.05472	8.1
189.09163	1.6
189.16423	1.2
191.07039	8.2
193.04977	1.5
199.07645	1.3
201.05418	2.2
203.07059	3.3
207.06522	1.8
209.08034	1.6
215.07065	5.0
217.08638	2.7
217.12453	1.2
227.07132	1.4
227.12762	1.7
229.08539	1.8
229.14384	3.2
231.10164	2.9
231.13835	1.7
239.18015	2.7
241.12184	1.7
241.19531	1.3
247.13177	1.5
255.06300	1.3
255.14067	1.1
257.11725	2.4
257.18954	3.6
259.13376	3.4
259.20538	3.4
267.09052	1.3
269.11163	1.1
271.13162	1.7
273.14789	1.9
275.12753	2.0
275.20065	2.0
277.14282	1.2
285.07629	2.7
287.12796	5.3
289.16644	1.8
299.12781	1.5
301.14511	5.3
301.92743	1.0
303.08740	1.9
305.13940	3.2
313.10779	3.1
319.15314	1.6
322.14517	1.3
329.13959	1.2
331.11792	12.9
331.15378	1.8
333.24316	2.3
357.16968	1.1
367.22647	3.7
375.18344	1.2
395.22092	6.8
407.22122	1.1
409.16409	2.3
413.23254	17.3
421.16592	2.9
425.23270	4.6
427.17584	4.3
439.17386	2.6
451.17575	2.5
469.19186	1.8
493.21991	1.4
529.27307	7.0
547.27100	24.5
565.28149	38.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.228
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	3.3
55.01868	5.5
55.05516	12.9
56.96578	2.3
57.03445	2.6
67.05509	28.9
69.03442	2.9
69.07066	6.2
69.69167	11.0
69.84651	1.8
71.04995	2.2
79.05502	27.3
79.05930	3.6
81.03415	34.5
81.07059	24.4
83.04976	7.2
83.08625	7.8
85.02910	3.5
89.03937	2.9
91.05481	26.4
93.07055	21.5
95.04990	12.1
95.08617	6.5
97.02898	2.7
97.06536	13.5
97.10167	2.8
103.05477	3.1
104.10757	3.5
105.07034	22.5
107.04981	5.3
107.08597	7.5
109.02914	4.2
109.06499	2.3
109.10147	11.4
111.04456	3.3
115.05431	2.6
117.03399	3.8
117.06989	3.2
119.04984	2.8
119.08611	13.8
121.06507	3.1
121.10151	11.2
123.04439	10.9
123.08042	2.2
125.09634	2.8
129.07021	7.3
131.04956	3.8
131.08582	7.1
133.02867	5.6
133.06503	3.6
133.10121	12.0
135.04430	6.4
135.11615	2.4
137.05963	3.6
139.03984	2.5
142.07764	3.0
143.08557	2.8
145.02838	5.1
145.06520	2.5
145.10071	2.5
147.04443	9.0
147.08037	3.3
147.11674	7.3
149.05968	5.1
149.09590	7.6
156.82265	1.9
157.06496	4.7
157.10164	5.2
159.04454	11.9
161.02356	7.5
161.05998	4.3
163.03905	47.8
165.05457	2.7
165.12738	2.5
169.06610	2.2
171.04462	2.2
171.08046	2.1
173.02356	19.8
173.06013	4.2
175.03940	4.8
175.11147	9.5
176.11935	13.1
179.08627	1.9
184.07321	2.4
185.05994	5.4
186.43501	2.2
187.03941	19.1
187.07559	2.8
193.12222	8.7
199.03911	11.8
199.07585	4.2
201.05499	4.2
203.03438	3.9
203.06880	2.1
211.13329	4.7
213.05463	23.8
225.05467	5.7
227.03490	2.7
227.07077	2.6
229.05000	6.1
229.14323	3.8
239.07042	2.9
245.04485	5.3
253.08611	2.4
257.04446	30.0
258.05270	2.6
267.13782	16.1
283.13177	3.5
285.03970	3.4
287.05548	3.5
293.11801	3.7
293.15396	4.2
301.14215	2.3
309.14792	3.6
311.12772	15.3
311.16476	5.5
324.11838	1.9
327.15906	5.8
329.13632	2.0
337.10321	2.6
337.14331	51.8
341.10226	3.5
353.10269	21.6
355.15402	100.0
356.15665	4.6
373.16302	12.5
388.20071	2.1
409.09097	8.4
474.38571	2.0
505.14951	50.1
529.27728	3.8
565.19794	2.1
565.29388	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	565.28
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02385	1.6
53.03949	1.9
55.01868	1.7
55.05525	4.6
65.03947	3.3
67.05505	44.4
68.99789	1.3
69.03435	1.7
69.07066	4.4
71.04982	1.1
71.52841	1.4
77.03938	1.2
79.05499	8.4
81.03405	3.4
81.07053	10.9
83.04979	3.5
83.08607	1.6
85.02909	2.5
87.97124	0.9
91.05469	8.3
93.07056	6.4
95.04962	3.4
95.08621	7.4
97.06552	1.7
97.10147	1.5
101.07864	0.9
104.00263	0.9
105.03412	2.2
105.07054	7.2
107.04960	1.5
107.08577	5.3
109.02913	1.9
109.06519	1.4
109.10156	9.8
110.09082	1.0
111.04455	1.0
115.05484	1.6
117.07039	1.9
119.04955	4.8
119.08595	4.3
121.06483	1.6
121.10146	3.8
123.04432	100.0
127.03957	1.5
129.07021	3.1
130.21634	1.0
131.08583	3.9
133.06461	1.0
133.10097	4.9
134.74867	0.9
135.04457	2.0
135.11667	1.3
137.02342	1.5
137.05984	2.2
137.09604	1.4
139.03899	7.4
139.11145	1.5
141.06982	1.2
143.08542	1.6
145.06503	1.0
145.10132	2.8
147.04424	15.1
147.11665	1.9
149.05977	2.0
149.09552	1.2
149.64117	0.9
151.03914	17.6
153.05452	5.3
157.10110	1.3
159.11717	1.9
161.05957	2.5
161.13245	1.3
163.03909	11.6
165.05505	10.1
171.11809	1.2
173.06006	2.1
175.03932	4.1
175.07590	1.7
177.05499	6.2
177.40492	0.9
179.07047	33.4
179.08577	2.0
181.06404	1.2
184.07384	2.0
187.03889	1.7
187.07462	1.1
189.05482	9.9
191.07033	5.5
193.04941	2.3
199.07613	1.0
201.05531	2.8
203.07103	3.4
203.12794	1.5
211.07579	1.1
213.05463	1.4
215.07021	3.3
217.12320	1.5
229.08618	1.7
231.10225	3.3
239.17926	2.4
241.12215	1.7
243.10179	1.8
247.13362	3.7
257.11667	2.0
259.13339	2.9
271.05814	1.2
275.12817	2.5
275.20093	2.2
285.07568	9.3
287.12747	5.2
293.13837	1.3
303.08606	1.1
305.13803	3.8
313.10709	5.3
317.13916	2.2
323.09119	2.5
327.16083	1.1
329.13815	1.4
331.11859	7.3
365.13916	1.7
367.22852	3.7
395.22131	8.5
407.22028	1.5
409.16385	2.2
411.54288	1.1
413.23239	37.3
421.16312	1.3
425.23251	4.5
427.17542	3.0
436.24039	0.9
436.92368	1.0
437.23480	1.4
439.17633	3.9
451.17282	2.2
460.33469	1.1
465.19385	1.5
469.18304	1.2
511.23495	1.9
524.32672	5.7
529.25970	4.1
536.76923	1.0
547.26904	15.6
565.27954	27.7
586.67444	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.2284
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	3.7
53.18354	1.3
55.01875	2.7
55.05513	10.7
57.03431	3.0
65.03921	1.7
67.05506	26.4
69.03422	3.3
69.07070	6.6
71.04987	3.5
74.84373	1.1
79.05067	2.2
79.05498	27.1
81.03415	18.3
81.07059	25.8
83.04983	6.3
83.08627	6.6
85.02894	3.1
85.06532	3.7
87.80205	1.3
89.03911	7.0
91.05487	30.8
93.07041	16.1
95.04962	10.4
95.08614	10.0
97.02894	2.9
97.06536	6.8
97.10157	2.7
99.55370	1.2
103.05472	1.1
105.07047	18.4
107.04951	6.7
107.08566	6.6
109.02935	1.6
109.06503	2.9
109.10129	7.7
111.04452	2.0
111.08043	2.8
115.05441	3.0
117.03373	6.1
117.06997	3.6
119.08582	12.2
120.08851	1.2
121.06522	1.5
121.10131	5.3
123.04431	5.1
123.08073	1.8
123.11729	2.5
125.09602	2.4
127.03934	1.9
128.06233	2.5
129.07063	9.1
131.04875	1.7
131.08582	10.6
133.02859	2.9
133.06523	2.3
133.10138	14.4
134.03618	1.4
135.04431	12.7
135.11691	5.0
137.09694	2.3
139.03915	1.7
141.06998	2.2
142.07816	2.9
143.04843	1.6
145.02847	10.0
145.10143	3.5
147.04387	4.0
147.08076	2.6
147.11691	15.9
149.05975	2.9
149.09566	2.5
149.13271	2.5
153.05351	1.2
155.08633	1.3
157.06490	4.1
157.10144	10.8
158.10892	1.4
158.38457	1.7
159.04439	2.6
159.08115	1.3
159.11700	3.0
161.02345	9.4
161.05981	1.8
162.03169	1.6
163.03909	69.6
163.11191	2.3
165.05563	1.1
171.04466	1.5
173.02348	11.2
173.05988	1.6
173.11732	1.6
175.03931	2.2
175.07581	1.3
175.11206	9.9
176.11960	12.5
177.12769	5.8
185.05978	5.0
187.03932	14.6
189.05464	3.1
191.03455	3.2
193.12247	17.7
197.05988	2.1
199.03960	9.6
201.05475	1.8
209.06053	1.4
211.07596	2.6
211.13290	7.6
213.05484	22.1
215.07181	2.2
217.04935	1.8
225.05563	8.1
227.07039	3.5
229.14423	2.2
229.49513	2.1
231.06610	3.0
237.05550	1.5
237.64206	1.2
239.07043	6.8
245.04532	3.0
249.05437	2.7
253.08572	2.9
255.09444	1.4
257.04431	9.5
269.17328	2.2
270.17859	2.3
273.14877	2.6
285.04135	1.5
295.12906	1.4
301.14423	1.9
309.14789	5.2
319.12964	7.6
327.15848	2.0
337.14337	100.0
338.14941	1.3
350.24030	3.3
353.10168	6.1
355.15414	31.6
368.25400	1.5
373.16699	1.9
409.09277	2.5
413.23132	2.6
505.14877	12.0
529.27740	1.6
547.28625	3.7
565.19440	2.1
565.29016	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	565.2284
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	3.9
55.01867	5.0
55.05516	17.9
57.03438	7.2
57.74633	1.4
59.05024	2.1
61.02916	3.1
65.03938	4.5
66.92262	1.5
67.05506	50.0
69.03427	8.5
69.07074	11.0
69.76084	5.6
69.76487	2.9
71.04995	3.8
79.05493	38.3
81.03422	26.7
81.07061	38.9
83.04987	12.9
83.08627	15.8
85.02911	8.7
85.06551	3.4
89.03924	7.3
89.56388	1.7
91.05479	41.9
93.07049	21.9
95.04978	21.6
95.08613	13.8
97.02898	5.8
97.06516	15.2
97.10155	5.8
103.05447	3.2
105.07042	25.7
107.04955	10.2
107.08596	14.2
109.02892	3.9
109.06527	7.3
109.10166	26.4
111.04449	3.3
111.08131	4.6
115.05438	5.1
117.03378	7.5
117.07021	9.9
119.04935	3.2
119.08582	17.4
121.02854	2.3
121.06498	5.6
121.10143	8.9
123.04429	12.9
123.08109	2.5
123.11716	4.2
125.09647	3.5
127.03933	2.4
128.06229	3.2
129.07047	15.3
131.04916	7.5
131.08597	13.9
133.02853	3.0
133.06520	5.8
133.10143	19.4
134.03621	3.9
135.04460	13.8
135.08083	3.2
135.11691	5.1
137.02335	2.8
137.09630	3.8
139.03914	3.7
141.06998	4.1
142.07784	3.3
143.08565	5.1
145.02859	12.5
145.06514	5.8
145.10155	7.2
147.04395	9.3
147.08034	3.8
147.11708	16.0
149.05992	4.3
149.09592	5.4
149.13271	2.6
157.06441	4.6
157.10110	12.6
159.04465	4.3
159.07932	2.2
159.11699	7.6
161.02318	8.9
161.05997	7.8
161.09673	2.1
163.03914	83.2
163.11201	4.5
164.04236	1.9
165.05569	2.0
165.12733	4.2
166.39285	1.7
171.04382	2.5
171.11647	2.3
173.02357	12.1
173.05992	4.8
173.11766	4.4
173.13167	2.1
175.03970	3.7
175.07547	1.8
175.11160	13.7
176.11961	14.7
177.05487	2.8
177.12715	6.3
179.08521	2.0
183.08064	3.4
185.05992	8.0
185.09712	3.1
187.03871	12.1
187.07547	4.0
189.05496	4.8
189.11194	3.7
189.12779	2.5
191.03300	2.0
193.12238	22.9
195.08240	2.1
197.05943	2.8
199.03920	12.9
199.07758	2.7
201.05504	3.5
209.05972	2.3
211.07555	3.4
211.13333	7.9
213.05481	24.4
213.08936	2.6
215.07336	2.7
217.04903	2.1
225.05484	9.7
227.06949	3.4
227.12730	1.8
229.05093	2.1
229.07538	3.4
229.14389	12.1
239.07030	9.8
241.12410	2.0
245.04553	3.8
247.08589	1.9
251.07115	2.0
253.08597	3.7
256.16150	2.2
257.04520	15.8
267.09149	2.3
267.16010	2.4
269.04416	2.3
270.17947	2.0
271.13080	1.8
273.14990	10.0
283.13422	3.7
285.10123	2.3
285.14835	3.9
287.05814	1.8
299.23605	2.4
301.14371	11.5
309.14929	10.6
319.13217	6.9
319.16135	2.4
320.13809	3.2
327.15857	4.4
337.14331	100.0
343.01639	1.9
345.15976	3.4
350.24020	2.6
353.10211	12.5
355.15424	54.7
356.15588	3.4
373.16345	7.9
375.18051	3.8
393.18985	3.0
409.09094	3.3
424.42374	1.9
505.14984	28.1
505.26935	2.6
517.27802	5.4
529.28058	16.5
547.29114	17.0
565.30127	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	564.3591
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03407	1.0
70.06595	3.2
71.52055	0.9
72.08145	0.8
73.02919	1.0
73.06545	1.7
79.05463	0.6
81.03403	0.6
86.09731	0.9
87.04474	12.4
89.06036	100.0
91.05484	1.2
97.02902	7.8
98.97569	1.3
107.07090	1.8
120.08163	1.3
123.04436	2.0
130.08646	1.1
131.07048	3.6
133.08612	66.7
135.04425	1.3
135.10327	0.7
139.03934	3.2
145.02800	1.0
147.04410	1.7
154.90327	0.7
163.03941	2.9
167.03517	1.0
172.07425	0.6
175.09718	2.1
176.47635	0.7
177.05522	2.4
177.11240	27.3
179.12930	0.7
184.19627	0.8
191.03571	1.0
204.10295	0.8
217.05153	0.8
219.12250	1.0
220.06096	1.4
221.13824	5.2
239.14902	1.6
246.14915	1.1
265.16367	1.2
277.06961	0.9
283.17624	2.5
309.19092	1.0
353.21835	0.8
415.25513	1.1
431.99258	0.7
459.28372	0.7
503.30554	1.9
532.27716	0.9
547.33264	11.6
564.19940	0.9
564.34583	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	565.1708
Annotation	Unknow
Peak:m/z	Relative Intensity
50.86531	1.0
53.03931	1.1
55.01881	2.2
55.05507	3.1
63.44736	1.0
64.78436	1.2
67.05495	4.8
67.45812	0.9
69.03427	2.0
69.07065	3.1
70.06593	1.9
70.64086	2.4
70.64431	1.5
72.08138	1.7
79.05486	3.8
81.03414	2.7
81.07065	4.2
83.04965	2.2
83.08614	1.6
85.02933	2.6
86.37544	1.0
89.03910	2.2
91.05476	7.1
93.03396	1.0
93.07042	3.0
95.04962	3.4
95.08600	3.9
97.02898	3.4
97.06534	11.5
103.05459	1.9
105.03362	1.2
105.07033	5.2
107.04959	2.5
107.08614	2.7
109.10136	2.3
111.04474	1.2
115.05489	3.2
117.03362	3.8
119.04944	4.5
119.08595	5.2
121.06513	1.6
121.10154	1.0
123.04430	75.4
125.06014	2.6
125.09611	1.4
131.04948	1.7
131.08572	1.3
133.06473	1.2
133.10103	2.3
135.04446	1.8
137.05975	8.6
137.09488	1.7
139.03918	2.3
141.06981	2.3
145.02852	9.8
145.06464	1.7
145.10126	1.8
147.04402	12.1
147.08087	1.8
149.05997	1.6
149.09605	2.4
153.06935	1.9
155.08521	1.4
157.06467	2.5
159.11646	1.6
161.02353	1.6
161.05969	5.1
161.13260	2.1
163.03923	7.6
165.07028	1.1
167.07043	1.6
167.08519	1.1
169.06477	1.4
173.02263	1.4
173.05952	9.3
175.03925	5.2
175.07484	3.1
177.05476	22.2
179.07124	5.6
179.08484	1.5
181.06493	3.7
185.06000	4.1
187.07561	4.3
189.05495	3.9
189.09081	1.2
189.12801	7.1
191.03348	1.5
195.08020	2.1
197.06012	3.0
199.03851	1.5
199.07562	4.2
200.04695	1.6
201.05482	7.5
201.09131	2.6
203.03401	1.7
203.07053	2.4
207.13684	2.3
208.02896	1.1
209.15445	1.6
210.02472	1.3
211.07559	3.7
213.05499	8.0
213.09070	2.6
215.03412	1.5
215.07114	6.3
217.05023	5.1
217.08594	4.1
223.07431	1.7
225.05518	3.8
225.09085	2.4
226.06166	1.7
227.06993	7.0
228.04131	5.5
229.05006	8.1
229.08548	1.8
231.06456	6.8
233.04428	1.3
237.05447	2.6
239.07057	3.1
241.04956	11.0
241.08582	1.7
243.06516	10.0
244.07266	2.1
245.04437	4.6
245.08081	4.2
253.04953	2.0
253.08279	1.5
255.06593	6.0
256.00946	2.0
256.03674	39.5
257.04449	37.6
257.08282	1.4
259.09647	4.8
265.08292	1.2
267.06470	2.1
267.10245	1.3
267.13522	1.7
269.04477	45.3
270.05038	2.0
271.06070	9.5
273.07712	1.8
281.04507	2.2
281.08154	2.9
281.15298	1.9
282.05243	2.5
283.06079	16.1
283.13242	1.4
285.03952	10.2
285.14868	1.2
297.03949	20.4
297.07108	2.2
298.04578	2.4
299.05527	2.2
299.09061	1.5
307.09738	1.4
309.03906	5.7
309.07523	4.8
309.11102	1.3
309.14703	5.3
309.18271	1.0
311.12744	4.9
313.14529	1.9
316.05795	3.3
317.06454	1.8
319.09387	1.4
323.09070	1.3
327.04993	100.0
327.15823	9.5
329.13803	5.7
335.05560	1.6
335.09241	1.8
337.10605	3.0
337.14343	9.8
339.10464	1.9
340.11600	1.7
351.08801	1.4
351.17932	1.2
353.10330	8.5
355.15396	23.4
365.10272	3.1
368.12570	1.2
369.13083	1.4
373.16455	9.5
377.10016	2.1
379.11908	1.6
390.07159	1.4
391.08182	9.0
391.17377	1.4
395.11194	3.6
403.08347	2.6
409.09128	16.5
413.12347	40.4
421.08899	3.7
423.10806	2.6
449.08649	25.6
467.09787	14.9
487.14230	6.1
505.15097	10.3
529.14648	4.4
547.15576	12.5
565.23657	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	564.3385
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	8.6
55.01884	4.9
55.05514	32.2
55.17252	3.8
57.03437	26.3
57.07082	4.2
61.02934	21.3
66.09021	3.6
67.05509	84.3
69.03416	14.3
69.07063	35.5
71.04979	10.8
71.52534	4.2
73.02901	8.7
78.18303	4.2
79.05493	81.5
81.03424	19.7
81.07054	95.4
82.07346	5.0
83.04995	19.0
83.08635	20.2
83.95032	3.9
85.02917	19.1
85.06542	4.9
86.87999	3.8
91.03957	13.5
91.05473	69.8
93.06480	7.3
93.07045	100.0
93.07634	6.2
95.04967	14.4
95.08607	67.8
97.02874	17.0
97.06516	15.8
97.10170	6.3
99.04420	4.7
99.08089	5.7
99.42908	4.2
105.07034	73.3
107.04955	12.0
107.08601	52.2
109.06533	9.1
109.10174	27.1
111.04400	4.9
111.08032	9.8
117.07013	21.0
119.08593	55.1
121.06506	8.8
121.10156	37.5
123.08045	4.8
123.11683	4.9
125.09656	5.1
127.03902	7.7
128.06197	3.8
129.05476	8.9
129.06984	12.4
131.08575	34.8
133.10130	65.6
134.10455	5.4
135.08031	6.1
135.11685	29.0
137.09642	6.6
139.03966	5.7
143.08568	12.3
145.04980	4.8
145.10106	26.8
147.11685	36.3
149.09621	8.3
149.13268	31.8
151.11122	5.6
157.10139	14.8
159.11687	30.6
161.13293	20.9
163.11159	9.9
171.11687	12.6
173.13260	13.8
175.14838	7.1
177.12752	10.9
179.14256	5.1
185.13271	9.2
195.13885	8.6
199.14749	7.8
213.16455	4.9
217.15927	5.2
229.14229	7.8
231.21162	5.3
241.19460	20.9
253.14342	8.0
254.14745	10.7
255.15021	6.9
257.19028	7.5
259.20593	46.4
269.17474	70.7
273.16049	4.9
275.20065	17.8
277.21494	5.6
281.44046	4.1
315.14255	5.5
333.24435	6.9
349.23828	16.6
351.25284	74.0
366.23279	4.7
367.24329	10.6
377.46063	4.1
421.25983	4.5
447.27353	13.4
492.90930	4.1
552.55859	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	564.3381
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	9.3
55.01865	6.8
55.05516	20.6
57.03432	18.8
61.02926	21.3
67.05508	86.7
69.03440	16.4
69.07072	34.5
71.04981	6.8
73.02920	6.0
79.05496	90.0
80.11433	3.2
81.03395	20.2
81.07057	90.7
83.04974	18.6
83.08613	16.4
85.02908	24.6
85.06545	5.7
86.14568	3.2
91.03948	11.5
91.05482	78.7
93.07047	100.0
94.21724	3.4
95.04962	11.4
95.08610	40.7
97.02903	21.8
97.06519	18.3
97.10158	8.3
99.08080	9.5
105.07044	72.1
107.04950	9.6
107.08601	56.6
109.02888	5.4
109.06529	7.0
109.10166	32.1
111.08070	9.4
115.05432	4.3
117.07012	31.0
119.08594	56.0
121.06518	7.1
121.10144	33.4
122.16299	2.9
123.08091	7.6
123.11681	5.7
125.09644	4.2
127.03902	7.9
129.05487	4.5
129.07008	11.8
131.08589	31.3
133.10130	54.7
135.08069	6.9
135.11678	24.6
137.09613	5.8
141.06981	4.9
143.08543	6.3
145.04994	5.8
145.10139	22.2
147.08038	5.3
147.11676	51.6
149.09636	13.2
149.13257	31.2
151.11122	3.6
157.10124	13.8
159.11711	32.1
161.09688	3.3
161.13263	23.7
163.03911	7.9
163.11259	4.0
163.14886	4.6
171.11703	14.1
173.11868	5.7
173.13284	18.4
175.14886	5.2
177.12720	9.9
184.07420	4.4
185.13313	9.4
187.14958	4.1
195.13840	5.5
199.14876	7.1
213.16412	3.4
229.14305	17.6
229.19534	4.6
231.21013	3.4
239.17920	6.1
241.19588	19.4
246.94197	3.2
257.19016	8.6
259.20575	55.5
269.17447	55.5
275.20071	17.0
349.23685	8.0
351.25284	75.1
366.44205	4.3
421.25812	5.0
447.27310	18.0
517.63751	3.6
546.25647	26.2
564.26654	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	564.338
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	4.7
53.53747	2.1
54.12553	1.9
55.01859	8.9
55.05516	19.9
57.03443	21.1
59.48314	1.9
61.02920	5.3
64.84453	1.8
67.05509	61.3
69.03429	10.0
69.06731	2.5
69.07069	29.2
69.85294	9.3
69.85683	2.8
71.02286	2.2
71.04979	6.9
73.02914	2.5
79.05074	3.1
79.05497	43.8
81.03424	14.9
81.06593	4.3
81.07056	72.4
81.07527	4.7
83.04984	12.2
83.08609	15.2
85.02890	12.7
85.06529	5.1
89.74972	1.8
91.03966	3.2
91.05480	33.3
93.06487	4.0
93.07044	51.7
95.04964	9.9
95.08601	29.3
95.80526	1.9
96.91566	2.1
97.02868	7.6
97.06527	26.9
97.10160	7.4
99.04436	2.6
99.08070	4.4
103.44493	2.0
105.04584	2.4
105.07040	26.7
107.04951	7.1
107.07881	2.8
107.08590	35.4
109.06505	8.0
109.10159	16.4
111.04426	2.3
111.08046	8.4
117.07041	16.4
119.04948	1.9
119.08585	23.1
120.84101	2.0
121.06449	6.1
121.10155	18.8
123.04388	2.7
123.08054	3.1
123.11649	2.3
125.09618	7.5
127.03924	6.0
129.06996	3.8
131.08577	20.5
133.10129	22.7
135.08005	3.0
135.11671	17.6
139.03983	2.6
141.07036	3.9
143.08565	3.1
145.10136	17.2
147.11673	11.9
149.02293	3.4
149.09598	11.8
149.13257	17.0
151.11151	3.1
153.09032	2.3
155.08574	2.3
157.10170	5.8
159.11708	25.3
161.13254	5.6
163.03891	5.6
163.11234	13.3
165.12738	2.5
169.10092	2.6
171.10146	2.7
171.11623	3.8
173.11842	3.0
173.13211	6.8
175.11165	4.8
177.00865	1.9
177.12785	25.3
179.14275	7.0
183.11728	5.2
189.11162	2.7
195.13785	7.4
197.13293	3.3
213.09283	2.4
215.12720	2.7
227.12764	8.0
229.14388	5.9
239.17886	5.4
241.08586	2.7
245.13712	2.7
247.20602	4.9
251.16447	4.8
255.15941	56.5
257.19113	11.0
267.15933	5.0
269.17493	100.0
274.47192	1.9
275.17404	3.0
275.20096	31.9
281.24652	3.0
287.79657	1.9
309.14667	2.7
309.20639	2.7
317.13834	2.7
337.14337	4.4
349.23770	79.1
355.15201	7.5
367.24869	28.1
521.19733	5.4
565.18774	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	564.3381
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	8.7
55.01880	12.6
55.05510	29.8
57.03437	22.5
61.02916	9.2
64.79736	2.5
65.03937	3.8
67.05505	83.2
69.03433	11.6
69.07069	39.5
71.04984	8.6
73.02911	6.5
79.05072	4.9
79.05495	61.6
81.03412	20.0
81.06592	5.2
81.07060	98.6
83.04971	16.6
83.08627	19.8
83.15445	2.4
85.02910	13.6
85.06576	4.0
91.03921	6.7
91.05485	49.6
93.06482	4.5
93.07047	74.3
93.43958	2.6
95.04970	14.7
95.08009	1.7
95.08606	49.4
97.02898	8.8
97.06525	26.6
97.10188	15.6
99.04459	2.6
99.08090	4.2
103.03974	3.0
105.07031	42.2
107.04967	11.5
107.08598	46.6
109.02909	3.7
109.06519	10.1
109.10167	16.5
111.04414	2.9
111.08089	7.0
117.07028	23.1
119.08571	29.1
121.06501	5.5
121.10149	18.8
123.08070	8.5
123.11707	8.1
125.09600	13.1
127.03906	4.1
129.07027	5.4
131.08572	25.3
131.58788	2.3
133.10129	32.5
135.08022	6.9
135.11697	23.4
137.09677	3.9
141.06891	3.2
143.08553	5.0
145.10121	24.4
147.11697	16.0
149.09622	16.7
149.13261	14.4
151.11160	5.0
155.08562	4.8
157.10106	7.7
159.07942	4.0
159.11693	34.4
161.09662	4.0
161.13251	6.1
163.03922	3.1
163.11137	14.2
165.12735	2.7
169.10135	3.8
171.10222	5.0
171.11696	7.9
173.04393	2.9
173.13272	10.6
177.12788	20.7
179.14326	12.3
181.12202	4.9
183.11734	3.4
187.11234	3.2
187.14760	2.8
189.11180	4.8
195.13782	11.3
197.13252	3.7
201.12750	2.7
205.12224	4.1
215.66852	2.6
227.12817	12.5
229.14302	4.8
229.19687	3.3
239.17966	7.3
245.13980	3.2
251.16402	3.4
255.15918	55.2
257.19025	19.8
267.15839	2.4
269.17480	100.0
275.20038	51.3
293.21161	4.1
309.20474	3.5
326.72504	2.5
349.23734	93.9
355.15704	4.5
367.24692	26.5
389.18158	2.8
391.25046	3.7
511.28418	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	564.1827
Annotation	Unknow
Peak:m/z	Relative Intensity
52.16339	0.2
53.03936	0.5
55.05500	0.3
65.03932	0.4
67.05491	0.7
69.03413	0.3
70.06594	1.9
70.18256	1.0
71.06123	1.2
72.08153	0.4
83.04963	0.7
85.02888	0.7
85.06509	0.3
89.03893	0.4
91.05470	0.4
95.04961	0.3
96.04443	0.3
97.02879	1.6
103.05444	0.6
105.07009	0.3
108.04493	1.5
111.04414	0.8
111.05557	1.9
115.05453	1.0
123.04421	0.6
127.05055	0.4
130.04108	0.3
131.04927	1.1
135.04404	0.4
137.05960	1.3
138.06622	0.7
139.03995	0.3
139.05025	6.1
142.06299	0.3
143.04909	1.2
145.02841	0.9
146.03603	3.3
147.04398	0.8
147.06790	0.3
151.03883	0.3
152.03433	17.8
156.06422	0.4
156.07693	7.4
160.05180	0.6
161.05986	14.7
162.06779	0.8
163.03911	1.0
163.07547	0.5
167.07010	0.4
170.05820	1.2
171.04358	0.4
171.06383	1.8
173.02318	0.7
174.03185	0.4
175.07585	0.5
177.05501	1.0
184.07155	2.6
185.07933	1.0
185.77049	0.3
186.08751	3.9
187.06297	0.4
188.04697	2.7
189.05457	2.9
195.08798	2.6
196.07191	13.3
196.09023	1.2
198.05557	0.4
201.05527	0.8
205.04956	0.8
206.05775	0.5
217.05083	0.3
218.08228	0.4
228.06580	0.5
229.05052	0.5
230.08121	0.7
233.06760	0.4
238.08173	0.5
238.73607	0.3
243.05211	0.9
258.07605	11.0
261.06335	1.0
266.07742	0.9
276.08670	20.4
277.07101	0.4
313.08243	0.3
315.09760	0.4
326.08832	0.7
344.09692	0.8
346.14081	3.4
357.09540	0.5
372.11905	100.0
373.12161	0.7
390.13000	2.8
440.12906	0.8
546.16833	0.5
564.18365	7.1
564.33740	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	562.3227
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	2.7
55.01878	7.5
55.05526	7.4
57.03446	5.5
57.07082	1.1
61.02927	2.9
65.03936	1.2
67.05509	36.1
69.03431	3.7
69.07080	8.9
71.04989	4.5
71.52549	1.3
73.02931	1.3
75.25283	0.9
79.05070	1.8
79.05498	22.0
81.03413	8.0
81.06593	1.9
81.07064	32.1
82.53741	1.1
83.04980	7.8
83.08614	4.6
85.02896	4.2
85.06542	4.6
85.45412	0.8
91.03954	1.4
91.05486	30.3
93.07050	22.2
95.04976	6.8
95.08614	10.7
97.02880	2.3
97.06524	4.0
97.10201	1.6
99.04469	3.0
99.24326	0.9
101.06021	1.0
105.07036	27.4
107.04973	3.8
107.08601	23.5
109.02876	1.7
109.06543	6.3
109.10160	36.8
111.04449	1.0
111.08098	3.1
115.98956	1.0
117.07028	4.3
119.08588	9.4
121.06529	4.7
121.10168	6.8
123.04401	1.3
123.08073	3.0
123.11703	5.5
125.09663	2.9
127.07594	2.4
129.05444	1.5
129.07021	2.3
131.08585	7.1
133.06483	3.6
133.10138	47.1
135.08070	3.6
135.11711	3.5
137.06026	1.1
143.08585	2.6
145.10135	4.4
147.00194	1.0
147.08080	2.3
147.11685	2.1
149.09621	5.8
151.11192	24.4
157.10146	2.3
159.11691	1.9
161.09631	4.2
163.11198	1.6
165.09138	1.1
169.12175	4.9
171.11688	2.5
173.09625	1.1
173.11810	1.3
175.11209	2.8
177.09195	2.2
179.10637	1.6
189.12744	1.0
193.12242	2.0
201.16484	1.0
209.11653	1.0
215.12723	2.8
217.12152	1.1
227.17879	1.4
229.07521	1.5
229.14368	1.3
245.19016	3.4
253.14362	100.0
255.17572	2.1
260.62268	1.1
263.20139	5.6
269.13840	3.4
269.16425	1.0
271.15427	15.7
273.18481	15.8
285.16907	1.8
291.19592	17.2
291.22617	0.9
309.20523	1.5
321.24023	1.1
347.22263	4.6
347.25983	1.3
365.23239	75.5
383.24274	3.1
403.30411	1.1
421.29785	1.5
459.27103	2.0
477.28510	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	562.3225
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	3.8
55.01871	8.4
55.05512	12.6
57.03444	13.5
60.76237	1.1
61.02930	3.4
65.03926	2.4
67.05505	40.3
69.03432	4.4
69.07069	12.0
69.69855	6.1
70.05640	1.1
71.04981	5.1
73.02911	2.4
79.05070	1.9
79.05500	27.0
81.03421	29.1
81.07057	35.6
83.04971	10.2
83.08621	10.4
85.02901	4.1
85.06530	3.8
91.05486	35.3
93.07048	23.3
95.04959	13.2
95.08606	12.1
97.02897	4.8
97.06504	4.8
97.10167	3.5
98.20760	2.2
99.04472	2.6
99.08115	1.6
105.07035	33.3
107.04955	5.3
107.08593	26.6
109.06527	7.5
109.10165	43.9
111.04429	1.9
111.08064	5.2
113.06030	1.9
115.05440	1.5
117.07018	5.5
119.08574	13.7
121.06515	4.4
121.10114	8.0
123.08084	2.8
123.11694	6.2
125.06013	1.4
125.09631	2.9
127.03899	1.2
127.07501	2.0
129.06992	4.0
131.08578	12.9
133.06491	4.4
133.10136	48.8
135.08034	5.5
135.11685	2.8
137.09601	2.4
137.99672	1.1
143.08553	4.4
145.10104	4.4
147.07997	3.4
147.11700	4.4
149.09593	9.8
151.11197	23.2
157.10129	4.3
159.08067	2.3
159.11687	2.7
161.09631	5.8
163.11156	3.7
165.12729	2.6
169.12296	3.4
171.11737	1.9
175.11171	6.5
177.09117	2.7
193.12282	9.0
205.12225	1.8
209.11771	1.4
211.13269	5.4
215.12701	2.6
245.18945	2.9
253.14354	88.4
263.20010	3.3
267.15881	17.3
269.13895	2.7
271.15399	15.8
273.18536	12.6
285.16937	7.9
291.19489	16.5
347.22119	6.2
351.10458	1.3
365.23245	100.0
367.22495	2.8
383.24203	2.9
385.23804	2.3
412.46982	1.2
459.27359	11.7
477.28534	26.5
527.28241	2.7
562.37244	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	562.3226
Annotation	Unknow
Peak:m/z	Relative Intensity
50.95975	1.0
53.03937	3.1
55.01862	4.7
55.05516	14.0
56.96534	1.0
57.03435	6.1
61.02912	2.7
61.64450	1.0
67.05508	18.5
67.35980	1.1
69.03423	5.3
69.06736	1.4
69.07076	17.7
69.23951	10.7
71.04981	2.4
73.02921	1.6
74.08255	0.9
76.22436	1.0
79.05069	1.8
79.05497	17.9
81.03423	18.7
81.07056	16.7
83.04993	7.7
83.08621	12.4
85.02888	4.1
85.06528	1.4
87.04427	1.1
90.71310	1.1
91.05482	12.9
93.07058	13.6
95.04984	8.8
95.08602	7.9
97.02909	8.6
97.06520	2.7
97.10174	11.9
105.07024	10.2
107.04960	5.6
107.08611	10.8
109.06564	2.0
109.10154	8.1
111.04460	2.1
111.08095	2.7
117.07011	4.7
119.08580	8.0
119.89650	1.0
121.06540	2.8
121.10171	5.2
123.04447	1.2
123.08047	2.5
125.05835	1.0
125.09660	9.6
129.07021	2.7
130.07849	1.2
131.08562	6.9
133.06526	2.2
133.10141	5.3
135.08060	2.6
135.11681	3.2
137.09543	1.1
139.11197	1.3
143.08574	1.2
145.06512	1.5
145.10097	5.1
147.08026	4.8
147.11674	4.1
149.09589	2.3
157.10139	3.5
159.11685	1.9
161.09540	2.2
163.11174	2.2
165.09032	1.3
173.11719	1.7
175.11183	3.9
189.11211	3.2
193.12253	11.5
205.12257	1.7
211.13332	5.5
223.13319	12.6
224.58354	1.8
227.12711	5.4
229.14258	1.8
249.14835	2.0
261.02411	1.3
267.15918	18.2
273.18503	6.4
285.16974	11.7
291.19559	65.5
347.22125	2.2
349.27582	1.3
365.23245	100.0
367.22687	2.3
385.23746	1.8
429.20837	1.2
459.27460	11.1
477.28644	9.6
519.93329	1.2
527.28528	2.3
543.17291	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	562.3222
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03965	1.2
55.01864	3.6
55.05513	13.6
56.96560	1.7
57.03437	3.6
59.96354	1.2
61.02931	2.9
67.05510	17.3
69.03448	5.7
69.07075	20.7
69.56670	7.1
71.05003	2.4
79.05496	17.5
81.03423	7.1
81.07059	12.3
83.04978	4.0
83.08625	7.6
85.02885	4.3
91.05489	14.0
93.07050	12.6
95.04977	7.5
95.08591	8.7
97.02899	7.9
97.06520	3.3
97.10163	13.2
105.07047	8.8
107.04955	5.3
107.08597	10.8
109.06519	2.0
109.10168	7.2
111.08089	2.8
117.05852	1.5
117.06970	5.8
119.04981	1.3
119.08583	9.3
121.06510	2.1
121.10136	4.2
123.04519	1.3
123.08085	1.9
123.14892	1.2
125.09631	9.8
127.03942	2.5
129.07010	3.7
130.09763	1.2
131.08589	6.5
133.06491	3.9
133.10132	4.1
135.08041	2.9
135.11694	2.5
137.09576	1.5
139.03893	2.5
143.08554	2.7
145.10123	4.3
147.08047	4.8
147.11734	1.7
157.10141	1.9
159.11687	2.3
161.09641	2.0
171.11713	1.8
175.11247	1.8
189.11230	3.2
193.12227	4.9
211.13260	1.4
223.13321	13.1
227.12787	4.9
229.14540	2.1
245.13812	1.9
249.14940	2.5
267.16046	3.0
273.18439	10.2
285.16980	9.5
291.19550	100.0
347.22107	1.9
365.23245	97.0
456.97699	1.4
459.27179	2.1
477.28601	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	562.1559
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05491	0.6
56.96547	0.9
57.03432	1.3
67.85018	0.6
69.03427	1.2
70.06593	100.0
71.53170	0.8
72.08157	1.0
72.74202	0.7
81.03454	1.6
81.07066	0.9
83.05043	0.6
83.57065	0.7
85.02905	1.8
86.09737	1.0
89.06041	1.4
91.05495	0.8
93.07072	0.9
96.04515	2.4
97.02911	1.9
98.97601	0.8
100.44931	0.6
105.07131	0.7
109.02897	1.0
112.07605	68.8
115.59420	0.6
116.07092	3.2
123.04468	0.8
133.08647	2.1
133.10258	0.6
135.04463	0.7
139.03946	1.0
140.07063	37.0
147.04398	0.8
149.09581	0.8
151.03949	0.9
153.01909	2.3
158.08118	11.1
163.03868	3.2
173.13428	0.6
193.06577	0.9
200.09172	7.2
211.04018	2.0
219.02933	1.5
221.05960	3.2
225.05582	1.3
229.05052	3.0
239.03468	0.7
242.10234	11.6
245.04515	1.0
249.05612	2.3
257.04449	20.0
260.03131	3.1
260.11337	2.2
261.03986	1.4
263.01941	2.4
267.02972	1.2
267.06445	1.0
271.06061	3.2
273.03906	9.7
273.06720	0.8
274.04843	3.1
277.05090	1.5
279.06686	1.0
281.04575	2.3
285.03986	12.3
285.07462	1.7
287.05536	1.0
295.06024	13.1
297.03918	3.3
298.04868	1.8
299.02103	0.9
299.05457	8.6
303.04993	79.9
305.04456	1.0
309.04205	1.8
313.07028	4.4
323.05502	18.2
325.03647	1.2
327.04987	13.9
327.08728	0.8
339.05026	1.4
351.04984	37.4
355.42355	0.7
369.06046	37.1
381.26019	0.8
382.26242	1.2
387.07397	1.9
400.10147	1.3
478.68268	0.7
500.13773	0.7
508.12628	2.9
526.13763	2.8
544.14661	1.5
561.32257	5.4
562.24567	2.1
562.32611	8.3
562.40204	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.3787
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	3.8
53.06086	1.7
55.01864	5.8
55.05513	19.2
57.03432	7.5
57.07067	4.3
65.03944	3.0
67.05508	57.2
67.65292	1.8
69.07069	15.6
71.03436	2.8
71.03767	2.3
71.04990	4.4
71.08640	4.6
79.05496	44.8
81.03402	6.2
81.07059	56.1
83.04987	4.7
83.08622	14.2
91.05486	28.5
93.07045	59.2
95.02415	1.7
95.04974	8.4
95.08605	55.4
97.02872	2.5
97.06532	5.0
97.10189	4.9
99.04475	2.2
99.08098	2.5
105.07042	20.4
107.04951	7.9
107.08586	42.0
109.06519	4.1
109.10163	21.8
111.04407	2.4
117.07006	10.9
119.08595	21.5
121.06490	5.0
121.10161	24.1
123.08106	2.3
123.11732	7.0
125.06021	2.8
125.09649	3.3
129.07022	3.7
130.07846	2.1
131.08569	12.4
133.10104	14.8
135.08043	2.0
135.11687	37.4
143.08549	2.6
145.10127	23.2
147.08101	2.4
147.11725	8.0
149.13271	5.7
151.11223	2.7
155.08630	2.6
157.10208	1.8
159.11737	5.4
161.13301	4.5
163.11179	42.5
163.14838	3.2
173.13322	6.3
175.14845	2.7
179.14357	5.3
181.12248	8.7
185.78271	2.1
187.14871	2.5
189.11394	2.6
209.09743	2.0
209.11647	2.6
227.12772	67.7
243.21167	5.1
253.14325	2.6
261.22147	17.7
267.15903	2.8
277.21606	4.6
281.19028	1.9
283.09576	8.2
283.15408	29.4
284.16415	2.1
291.19556	3.5
293.21152	2.1
317.24847	6.7
335.25812	78.1
336.40762	2.0
349.23901	1.9
448.90222	2.0
525.35712	3.1
541.61774	2.0
543.36823	51.3
561.39697	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	560.4523
Annotation	Unknow
Peak:m/z	Relative Intensity
51.33851	2.3
55.05499	8.5
56.55777	2.1
57.03432	4.6
57.07078	26.8
67.05510	67.9
69.07076	11.2
70.63888	5.4
71.04996	16.4
71.08633	22.4
79.05482	6.3
81.07060	21.6
83.08623	12.5
85.10166	11.3
87.04470	3.2
89.06034	2.7
91.05475	10.6
93.07041	9.3
95.08613	23.9
97.06544	3.7
97.10147	4.8
107.08575	6.7
109.10167	55.6
119.08577	7.3
119.39162	2.2
121.10141	3.6
135.11667	9.0
137.09602	8.7
163.11153	3.7
173.11751	6.1
237.23969	2.7
255.15927	3.2
287.18542	20.7
313.27371	23.3
316.32761	2.3
398.70541	2.8
438.61774	2.5
467.37366	100.0
481.38126	3.3
493.38617	2.5
525.41632	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	561.1831
Annotation	Unknow
Peak:m/z	Relative Intensity
53.87647	0.5
55.05489	0.9
57.04545	0.5
65.03916	0.7
67.05494	0.9
69.03414	0.7
69.04550	2.2
70.06596	0.7
71.52812	0.7
83.04970	2.0
91.05438	0.9
97.02888	0.8
98.97557	0.6
105.07053	0.6
111.04411	1.1
121.02818	0.6
123.04391	0.6
127.04995	0.6
133.06439	0.5
140.01563	0.5
142.06143	1.3
146.03632	0.7
147.04425	0.6
156.04428	1.0
160.05092	0.6
161.06007	3.3
163.03911	1.1
164.87434	0.4
173.04741	0.8
174.05521	0.7
175.12271	0.9
177.05385	0.5
178.06007	0.6
183.05498	0.6
188.06993	4.4
195.05521	0.6
196.08669	1.2
200.05737	0.7
212.08134	0.6
213.08946	1.4
214.07181	0.8
215.08110	1.8
217.07190	1.3
223.07443	0.7
224.08206	3.4
237.02702	0.7
240.05319	0.5
240.07666	0.9
241.06203	0.8
241.08452	8.3
251.06876	0.8
252.05240	1.2
252.07704	3.6
253.08403	0.5
254.05617	1.2
255.07599	0.9
256.10815	6.7
267.07697	2.0
269.07971	8.7
269.10483	1.0
270.11206	1.4
280.09592	1.7
281.10342	5.4
282.11096	1.3
283.08096	0.6
284.10297	12.4
285.08539	1.2
297.09778	2.1
297.13113	0.8
298.10632	1.9
308.08948	4.2
309.09857	8.2
310.10400	1.1
323.11429	0.7
324.09747	1.2
325.09305	0.9
326.10089	30.6
335.09317	0.6
337.09366	3.4
341.12439	100.0
342.12875	0.7
369.11926	22.0
381.25381	1.0
387.13010	32.0
515.17535	2.2
543.17047	1.6
543.24237	0.8
561.18097	34.7
561.25244	10.4
561.32080	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	560.3426
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	3.9
55.01877	4.2
55.05508	7.7
56.96561	2.2
57.03440	9.6
59.04997	2.4
60.08152	4.3
61.02936	3.3
67.05509	23.0
67.10791	1.9
69.03429	3.9
69.07066	6.7
71.04984	2.2
71.52832	2.8
71.53202	2.3
72.08129	2.3
73.02916	2.0
79.05498	29.2
80.05814	2.3
81.03419	53.1
81.07066	23.2
83.04969	6.0
83.08622	15.4
85.02886	2.7
86.09705	12.6
91.05477	21.4
92.05814	3.1
93.07045	26.6
95.04972	21.5
95.08610	25.2
97.02885	5.6
97.06528	4.9
99.04449	2.8
104.10754	24.4
105.07036	15.8
107.04971	11.2
107.08595	23.0
109.06509	3.0
109.10157	7.1
111.04432	2.2
111.08094	6.6
117.07031	7.2
119.08592	15.9
121.06494	9.4
121.10149	12.6
124.99986	6.3
129.07011	7.4
130.80826	2.4
131.08548	6.2
133.10164	10.0
135.08055	2.6
135.11708	26.9
145.10133	20.0
146.10522	2.6
147.11700	7.6
149.09598	4.7
151.67122	2.3
157.10091	6.0
163.11176	38.6
175.11203	6.4
181.12238	8.6
184.07358	25.0
193.12253	13.2
211.13287	3.2
227.10625	1.9
227.12791	36.5
263.60355	2.0
267.15933	100.0
283.15430	53.5
395.21228	2.0
428.26697	4.2
475.26987	93.9
542.35138	4.3
560.24036	2.2
560.34534	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	560.3948
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	4.9
55.42904	1.1
57.07067	1.3
63.76540	1.1
67.05509	26.5
69.07070	6.2
72.68533	1.0
79.05489	10.7
81.06596	1.7
81.07057	28.8
83.08582	3.3
91.05488	8.7
93.07045	18.8
95.04964	1.0
95.08607	37.0
99.08076	1.6
105.07025	16.5
107.08593	30.5
109.06525	1.6
109.10160	100.0
117.06944	1.1
119.08592	15.1
121.10148	22.0
123.11720	7.8
131.08575	4.0
133.10143	16.3
135.08018	4.6
135.11707	12.9
137.13251	2.4
143.08485	1.4
145.10126	5.9
147.11690	17.2
149.09552	1.4
149.13268	6.3
151.07558	2.5
157.10072	2.2
159.11703	6.6
161.09575	1.4
161.13278	13.0
163.11171	2.8
163.14807	4.5
173.13254	3.3
175.11209	1.7
175.14807	7.3
177.12679	2.0
177.16370	3.7
187.14841	3.4
189.16356	5.7
191.14345	1.9
191.17952	2.0
193.12285	2.2
199.14844	2.0
201.16389	3.8
203.14284	3.3
203.17944	24.1
205.15881	3.4
215.17900	3.4
217.16020	2.2
217.19519	22.7
221.15312	4.7
223.16949	2.8
227.17892	1.4
229.15848	2.0
235.16920	1.8
243.20886	1.3
245.22568	1.9
247.16853	1.4
313.25311	6.1
331.26300	7.8
403.33698	3.1
421.34686	11.0
436.12213	1.2
439.35733	52.8
451.96384	1.0
540.30823	1.6
560.36084	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	560.1645
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	1.4
55.01869	2.6
55.05506	0.6
57.03445	2.1
59.05016	0.4
61.02935	2.0
62.51777	0.3
67.05505	0.6
68.99790	0.6
69.03435	7.7
69.07065	0.6
70.04076	100.0
70.10907	1.3
70.36590	0.3
71.04990	1.2
73.02921	2.5
73.06552	0.5
77.04399	0.3
79.05511	0.4
81.02937	0.5
81.03417	8.1
81.07052	0.7
83.05020	0.4
85.02904	21.6
85.06537	0.4
86.09682	0.3
87.00831	8.7
87.04430	0.4
88.07635	0.3
91.03953	0.7
91.05506	0.8
95.04975	0.4
97.02890	10.8
97.06523	2.2
98.98476	1.4
99.04456	4.4
99.08109	1.1
103.03970	0.6
105.01868	10.1
107.08579	0.6
109.02879	8.0
115.03943	0.4
115.07580	2.3
117.01887	1.2
117.07032	0.4
118.83417	0.3
119.08639	0.4
123.04489	0.4
125.02402	0.6
127.03918	20.7
128.07123	0.9
129.01889	1.4
133.10089	0.4
135.04485	0.6
139.03882	0.4
145.04959	12.1
147.02934	1.1
159.02887	6.8
159.04095	0.4
163.03976	0.5
169.08836	0.3
177.04002	0.9
189.04002	1.2
193.08589	0.4
195.43733	0.3
197.06712	0.3
199.09641	0.6
213.04070	1.1
217.71391	0.3
223.09740	1.1
231.04985	5.8
249.06190	1.2
318.09308	4.6
327.11255	0.5
398.23117	0.5
560.30963	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	560.2342
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17813	0.3
53.03942	0.8
54.40084	0.3
55.01874	0.7
55.05516	4.5
56.96571	0.7
57.03423	0.9
57.06794	0.8
57.07079	17.2
65.03938	0.6
67.05509	1.7
67.66068	0.3
69.03418	1.5
70.52679	0.7
71.04990	0.5
72.05961	0.3
73.02888	1.0
73.06548	0.7
79.05485	1.2
81.03416	2.5
81.07044	1.2
82.15988	0.3
83.04971	0.3
83.08589	0.4
85.02915	3.4
87.00827	1.2
87.04452	0.3
91.03989	0.4
91.05470	1.0
95.04955	0.5
95.08558	0.4
97.02894	1.9
97.06556	0.4
97.10161	0.4
99.04468	1.0
105.01859	0.8
105.07034	0.6
109.02880	1.1
109.10160	0.6
119.08587	0.6
121.02851	1.2
121.06512	0.4
123.04400	0.4
127.03924	1.8
129.06960	0.6
131.08549	0.8
135.04411	0.3
145.04817	0.5
145.10086	0.5
149.02347	100.0
157.10287	0.4
159.02907	0.6
161.05980	1.2
163.11130	0.5
167.03433	1.1
175.07547	3.9
190.05016	0.8
193.12206	0.4
203.07025	6.0
205.08598	8.8
215.09673	0.4
221.08148	1.7
227.12801	0.4
229.07262	0.4
229.14279	0.5
247.08447	0.3
267.15955	0.5
268.00848	0.3
277.14359	40.0
295.15344	3.4
363.21838	0.8
371.93069	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	560.2341
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	0.5
53.10062	0.2
55.01869	0.4
55.05512	2.3
56.96550	0.9
57.03429	0.2
57.07070	2.1
60.40060	0.2
60.51835	0.2
61.02925	0.5
65.03944	0.7
67.05506	0.5
68.99769	0.2
69.03429	1.0
71.04995	0.4
71.52897	0.3
73.06545	0.5
79.05486	0.6
80.28187	0.2
81.03426	1.5
81.07063	0.7
84.29366	0.2
85.02901	2.3
86.73245	0.2
87.00816	0.8
93.03386	0.2
93.07057	0.6
95.08588	0.5
97.02892	1.0
99.04421	0.5
100.84996	0.2
105.01875	0.3
105.07047	0.7
107.08587	0.4
109.02862	0.9
112.75917	0.2
117.01916	0.2
119.08591	0.5
121.02887	2.0
121.03677	0.4
121.06534	0.2
121.10150	0.4
127.03928	1.4
131.08546	0.3
133.10117	0.3
135.11678	0.5
136.92227	0.4
139.03812	0.2
145.04921	0.3
145.10101	0.3
147.04393	0.3
149.02347	100.0
150.02684	0.3
154.93153	0.7
159.02927	0.5
159.11710	0.3
161.13255	0.3
163.03897	0.2
163.11128	0.3
167.03419	0.7
172.94252	1.1
187.14836	0.2
190.04932	0.5
190.95409	0.7
195.95911	0.7
203.07246	0.3
205.08609	21.9
213.16316	0.2
213.96938	0.5
221.08176	1.4
223.09679	0.4
247.08447	0.2
264.88742	0.2
277.14346	11.2
281.00262	0.2
295.15488	1.4
396.62573	0.2
437.16751	0.4
439.04736	0.3
455.17703	0.9
531.77032	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.3994
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	11.5
55.01871	6.1
55.05519	25.2
57.03434	11.9
57.07072	5.5
59.05005	3.7
65.03938	6.9
67.05511	98.1
69.07069	20.6
77.18712	3.2
79.05497	94.5
81.03420	6.8
81.07060	84.3
83.04993	9.1
83.08621	14.2
85.06564	4.4
85.86328	3.3
91.05487	68.9
93.06476	6.8
93.07047	99.2
93.07639	6.4
95.04969	23.6
95.08610	59.1
96.96136	3.1
97.06523	4.1
97.10184	5.5
98.20704	6.1
103.05470	3.5
104.32244	2.9
104.77735	3.1
105.04510	3.3
105.07045	50.8
107.04956	4.4
107.08598	38.6
109.06520	8.6
109.10131	18.2
114.13961	3.1
117.07032	14.7
119.08589	23.9
121.06517	3.4
121.10134	27.9
123.08096	5.2
123.11750	3.8
128.06290	3.3
129.06982	12.5
131.08575	16.0
133.10135	18.9
135.11700	9.9
143.08585	12.6
145.10118	20.5
147.11699	34.1
149.13187	3.1
159.11745	10.4
161.09612	3.9
161.13278	13.9
163.14899	3.6
171.11681	24.7
173.13286	5.1
189.12743	7.5
207.13791	23.9
227.72923	3.3
243.21028	5.7
261.22128	11.8
279.15808	5.4
281.13644	17.5
281.17477	40.0
317.24771	5.3
335.25806	62.3
491.18878	3.8
541.38947	100.0
559.32306	37.9
559.39655	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	559.3092
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03963	0.6
55.05505	0.7
55.57683	0.4
56.96565	1.0
59.05001	0.8
67.05506	0.8
69.03412	0.9
69.07057	0.9
69.29831	1.5
69.30259	2.5
70.04072	0.7
70.06604	0.9
71.04974	0.6
72.08148	0.9
79.05470	1.1
81.03423	0.9
81.07053	1.9
83.04983	0.4
85.02907	1.0
86.09737	0.5
87.00829	0.6
91.05479	0.7
93.07057	1.1
95.05007	0.7
95.08607	0.5
96.04514	0.5
97.02357	0.4
97.02867	2.2
97.06526	1.6
105.07025	0.9
107.08587	0.6
109.10174	0.8
119.08610	0.8
121.06512	0.6
122.32313	0.4
123.04496	0.5
127.03936	1.0
139.03870	0.8
145.10144	0.6
147.04422	0.5
161.09601	0.6
163.03862	2.2
167.07120	0.6
173.02460	0.5
177.05534	0.9
203.05241	5.2
214.19136	0.5
222.95372	0.5
236.65996	0.6
249.08083	0.9
267.09018	8.1
267.11642	0.8
285.10110	7.8
285.12985	0.8
290.10226	0.5
299.11722	5.4
308.11874	0.7
317.12671	5.0
317.24548	8.0
319.22266	0.5
333.62952	0.6
335.25620	2.5
337.22324	0.8
340.14490	0.7
369.06241	0.6
497.30850	37.1
499.28635	1.3
541.29895	1.1
559.30884	100.0
560.31238	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.3632
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02373	2.3
51.44183	1.9
53.03941	9.1
55.01876	20.5
55.05511	58.3
56.03308	2.0
57.03436	11.5
57.07071	4.4
59.04996	5.8
61.02926	3.3
63.17020	2.2
65.03932	5.4
66.91460	2.2
67.05505	87.0
69.03424	9.1
69.06729	2.9
69.07067	38.4
71.04990	6.3
71.24300	4.7
79.05493	74.9
81.03420	58.5
81.07056	77.9
83.04969	15.2
83.08624	36.7
85.02900	5.1
85.06548	5.3
91.05486	66.3
93.07047	46.7
95.04972	33.3
95.08604	35.9
96.04500	7.5
97.02924	4.0
97.06522	18.5
97.10168	40.3
99.08134	2.4
103.05463	3.8
105.04533	3.2
105.07034	55.2
107.04956	22.4
107.08594	45.2
109.06515	14.9
109.10162	30.8
111.08109	8.7
115.05449	3.4
117.07023	24.3
119.04924	3.2
119.08577	44.3
121.06480	11.6
121.10132	22.1
123.08072	10.9
123.11724	12.9
125.09633	31.3
128.06235	5.8
129.07028	22.9
130.07706	2.2
131.04970	2.7
131.08559	33.7
133.06529	8.8
133.10133	25.6
135.08090	9.3
135.11650	10.3
137.09682	5.6
141.06946	4.2
142.07770	6.3
143.08568	15.6
145.06509	9.4
145.10121	28.5
147.07988	10.0
147.11681	35.0
149.09647	20.5
149.13277	4.7
151.11150	5.5
153.09163	4.5
155.08594	8.5
157.10117	16.5
159.08084	7.0
159.11710	13.8
161.09584	6.4
161.13315	7.0
163.11205	14.6
165.12773	3.8
167.08638	2.8
169.10176	10.8
171.08066	3.5
171.10342	3.2
171.11748	8.7
173.09677	7.7
173.11819	4.5
173.13269	6.5
175.11247	9.7
179.08521	2.8
179.14339	2.4
181.10094	3.3
183.11729	8.1
184.40868	2.1
185.09663	4.9
185.13277	9.2
187.11208	10.6
187.13284	3.3
189.11237	23.9
189.12759	4.0
191.14168	2.2
193.12248	20.2
195.11800	4.0
197.09666	2.6
197.13289	5.2
199.11214	2.9
199.14792	2.6
201.12749	3.4
203.14470	4.3
205.15820	2.3
209.13406	2.1
213.12833	3.0
215.14400	3.0
219.13765	2.8
221.13297	2.7
227.12738	21.3
229.14270	4.0
229.19501	3.2
233.15370	4.3
239.14389	3.4
239.18016	2.5
249.14914	3.6
257.19037	8.0
267.15915	38.5
271.20618	3.3
273.18668	2.4
275.20056	61.0
281.18970	3.5
293.21194	8.0
297.22122	4.4
299.20078	22.7
313.21762	9.4
315.23224	14.1
317.21182	14.4
323.20291	2.8
329.21072	2.8
331.22913	3.9
349.23834	20.8
355.22882	4.1
373.23904	8.6
397.22772	3.4
431.29272	6.1
447.27621	8.5
449.30417	13.0
459.27261	5.0
467.31534	20.2
477.28589	5.3
485.32617	13.0
523.34265	6.0
541.35260	100.0
559.36389	95.5
575.48022	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	559.1085
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.1
55.01873	1.3
56.96557	0.5
57.03433	0.5
60.38912	0.4
65.03929	0.5
68.99794	0.4
70.06603	0.7
71.01344	1.0
71.53056	0.6
75.42271	0.4
75.81484	0.4
81.03410	4.6
84.08164	0.5
85.02900	1.9
86.09724	0.6
91.05492	2.4
91.59239	0.4
93.03412	0.5
97.02905	1.1
98.97601	0.5
102.76092	0.5
103.03949	1.3
105.07066	0.6
107.01322	1.0
109.02888	1.7
111.04449	0.6
114.66270	0.4
121.02884	0.7
125.22037	0.4
127.03929	2.2
132.23999	0.4
137.02354	100.0
137.03427	11.2
138.02730	0.4
139.03925	0.6
147.65517	0.5
151.03946	0.5
153.01817	1.3
155.03418	0.8
161.05959	0.5
163.03964	2.2
167.03447	1.1
175.03931	0.5
187.03929	1.4
201.05557	0.7
205.04990	0.6
211.03905	0.8
213.05426	0.5
215.03476	1.1
217.04974	1.7
225.05519	0.8
228.04121	2.2
229.04865	0.8
231.02901	0.9
233.04433	3.5
239.03363	0.8
239.05573	1.2
243.02844	1.1
245.04462	3.3
246.05219	2.9
249.03914	0.8
253.05022	1.1
256.03635	2.6
257.04419	5.5
260.03159	2.5
261.03976	3.5
267.02875	0.7
269.04556	0.6
271.06024	0.8
273.03940	34.9
274.04727	14.0
275.05444	1.0
281.04495	1.7
285.03922	19.8
287.02368	0.6
287.05423	3.7
295.06012	1.8
297.03845	2.0
298.04694	1.0
299.02304	0.6
299.05493	3.3
301.03412	2.0
303.04993	90.9
309.03870	0.8
313.03629	1.0
313.07114	2.7
313.10269	0.4
315.04968	1.3
323.05524	3.0
327.04984	19.0
333.06107	1.0
339.05017	0.5
341.06644	1.8
345.06067	0.6
351.04950	8.4
357.06079	3.1
360.05698	0.5
367.08084	0.9
369.06055	10.0
387.07074	8.5
405.08170	30.3
423.09341	3.9
523.08679	1.1
541.09949	2.6
559.10693	14.0
559.23853	2.4
559.30933	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	558.4367
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	3.0
55.05514	8.7
57.03426	8.0
57.07081	24.0
67.05508	14.4
69.07066	7.6
70.63782	7.3
71.08634	16.8
79.05486	14.3
81.03421	34.5
81.07053	21.2
83.04973	7.0
83.08627	22.1
85.02901	8.1
85.10177	11.0
89.06062	2.7
91.05487	11.5
93.07061	8.8
95.04969	11.6
95.08619	10.9
97.06539	2.6
97.10178	5.3
103.49084	2.3
105.07033	7.1
107.08595	3.2
109.10128	5.2
111.08057	8.0
119.08575	7.6
121.10134	5.3
128.67300	2.2
129.07022	3.5
131.08588	7.4
133.10127	4.8
137.91351	2.6
145.10071	3.1
147.11702	10.2
149.09654	4.1
157.10126	7.3
175.11224	7.6
182.05829	2.5
193.12250	29.9
211.13293	52.0
226.52776	2.5
267.15942	6.4
285.16968	39.1
313.27374	62.8
480.97928	3.2
505.38925	5.8
523.39966	100.0
558.43219	3.1
558.53491	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	558.1244
Annotation	Unknow
Peak:m/z	Relative Intensity
52.52364	0.4
52.73471	0.4
69.61542	1.5
69.61954	1.2
70.90745	0.4
86.20956	0.4
92.04961	0.4
125.04705	0.8
134.06039	2.5
157.08887	0.5
158.06035	2.0
234.09077	0.6
238.08627	0.6
282.03854	0.7
282.07498	0.7
290.08035	0.8
294.04492	0.4
294.07690	0.8
295.04669	0.7
296.09210	0.4
297.03915	1.5
305.33502	0.4
307.08554	0.9
308.09146	1.4
310.07086	10.2
318.07559	0.7
320.05634	0.7
320.09079	5.4
322.07101	1.4
323.07431	0.5
332.09167	0.5
333.10001	1.1
334.07062	0.9
334.10809	1.2
335.07828	0.5
336.08603	5.0
344.09113	1.0
346.07092	2.4
346.10764	0.6
347.08002	0.7
348.05429	3.4
348.08719	3.1
349.05688	0.6
350.06604	6.5
350.10583	0.5
351.07761	0.6
352.08212	2.7
358.06995	0.6
358.10715	2.4
360.08661	5.2
362.06503	1.7
362.10352	1.8
363.07535	1.3
364.08154	100.0
365.08899	2.9
370.10843	0.6
371.08011	0.7
373.09549	0.7
374.06415	2.8
374.10477	1.9
375.07318	2.6
376.08041	10.7
376.12079	1.5
378.06085	0.6
378.09775	9.8
380.87589	0.6
384.08658	1.0
386.06207	0.7
386.10300	5.2
388.08325	2.2
389.08835	3.8
390.05896	0.7
390.09747	15.0
392.11642	0.5
394.09241	17.7
400.08221	1.5
402.09683	5.5
404.11377	28.1
406.09088	0.9
408.07086	8.8
414.09628	3.0
418.09213	9.2
420.06921	1.0
430.09290	9.5
432.10855	5.6
435.16882	0.5
438.08185	9.4
442.09326	8.8
448.10370	1.4
450.07797	0.8
458.08771	0.8
460.10333	12.3
462.08237	13.0
468.09067	2.1
474.08270	1.8
476.09677	1.3
478.11270	3.7
486.08398	4.0
492.09229	9.5
496.12503	1.6
504.09286	9.4
522.10352	34.1
540.11395	58.0
541.12219	0.7
558.12445	12.5
558.20874	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.4567
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.9
55.01875	1.5
55.05506	15.3
57.03439	1.6
57.07073	4.7
58.66936	1.0
59.05003	1.4
65.03932	1.9
67.05505	30.8
69.03439	1.5
69.07068	14.2
71.08627	1.4
71.53137	1.4
71.53555	1.5
79.05487	13.6
81.07058	31.0
83.04990	2.4
83.08611	9.3
85.06576	2.2
91.03978	1.0
91.05486	15.8
93.07038	17.9
95.04981	2.4
95.08617	22.7
97.02860	1.4
97.06554	2.5
97.10185	6.3
99.08099	1.4
105.07034	23.4
107.08601	14.0
109.10149	11.2
110.10450	1.4
111.08080	1.6
117.07015	8.3
119.08585	27.5
121.10155	8.1
123.08100	2.4
123.11720	4.4
127.07587	1.2
129.07022	4.1
131.08578	16.1
133.10126	11.3
135.11702	4.1
137.13264	3.4
141.06978	1.2
143.08565	5.1
145.10132	12.8
147.11703	6.2
149.13312	2.0
151.11189	1.8
155.08545	2.7
157.10168	3.0
159.11697	4.6
161.13251	7.5
163.11264	1.4
169.10150	2.3
171.11726	3.3
173.13283	4.6
175.14819	8.5
178.60959	1.0
178.85191	1.0
181.10146	1.2
183.11707	2.4
185.13278	1.8
187.14871	3.9
189.16383	3.3
195.11707	1.2
197.13258	1.8
199.14825	2.3
201.16412	3.3
211.14801	1.4
213.16455	2.0
215.17952	1.9
217.19560	1.4
225.16553	1.3
231.21022	1.4
241.19643	1.4
257.22852	1.2
259.24210	1.5
265.21765	1.2
271.20673	1.5
275.19992	1.5
277.87708	1.1
279.23322	2.6
289.18005	1.3
291.19714	1.2
299.23901	1.9
303.23264	3.0
316.26895	1.1
317.24557	1.9
387.32684	2.1
393.29218	1.3
401.33920	1.9
415.35669	1.7
445.32990	1.4
459.35095	1.6
487.38501	1.4
503.42471	1.4
521.43488	10.2
539.34344	2.5
539.44568	10.6
557.35266	11.9
557.45605	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.4009
Annotation	Unknow
Peak:m/z	Relative Intensity
52.36698	2.0
55.05502	4.0
57.03425	3.0
57.07079	100.0
57.30061	2.0
58.04219	6.5
59.05006	31.6
67.05508	5.2
69.07064	6.9
69.15664	23.5
71.08636	74.5
72.05766	14.2
73.02923	4.9
73.06555	13.3
81.07069	4.0
82.07855	3.1
83.08624	3.6
85.10190	67.3
87.04472	12.4
88.05241	3.5
89.06023	23.1
90.01925	40.3
95.08627	4.4
96.09407	2.3
97.10171	4.8
99.11739	13.8
103.07558	10.1
111.08093	2.2
113.13285	4.2
116.08405	5.1
117.09126	8.3
133.08607	10.0
133.33281	2.2
152.15611	5.7
155.17969	8.3
175.97308	2.1
178.07167	8.1
183.17458	4.6
208.15463	4.8
212.21402	4.9
213.22173	6.7
222.09673	15.9
222.16884	2.5
223.15363	3.1
252.18211	3.2
253.16368	5.1
256.26257	2.6
257.24664	5.5
260.99020	2.4
266.12228	2.4
328.16074	9.4
406.15735	2.1
406.35410	14.6
557.39838	8.5
557.53174	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	557.3834
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	4.3
53.36321	1.6
55.01876	2.1
55.05516	22.2
57.03440	7.6
57.07077	5.0
64.78260	1.5
65.03947	1.8
67.05507	44.5
69.07072	15.0
70.48695	3.1
70.49062	3.6
71.05010	1.8
71.08632	3.4
79.05097	1.2
79.05499	37.2
81.03434	4.3
81.07063	39.0
83.04984	4.8
83.08643	7.4
85.06533	2.8
91.05486	33.9
91.06015	2.3
92.43300	1.5
93.07050	35.8
95.04985	7.9
95.08607	26.0
97.06534	2.7
97.10198	5.8
98.98439	2.7
99.08107	2.5
104.10773	2.1
105.07040	33.8
107.04975	7.0
107.08601	18.6
109.06551	3.9
109.10145	10.5
111.08132	4.6
115.05487	2.5
117.07016	12.9
119.08590	28.1
121.06553	2.7
121.10160	13.8
123.08114	3.7
123.11707	1.9
125.09630	3.3
128.06285	4.8
129.07001	16.0
130.29974	1.9
131.08580	25.1
133.10130	13.7
135.08076	2.6
135.11696	9.6
136.08533	1.9
141.07039	6.3
142.07848	2.3
143.08586	20.8
145.06587	3.3
145.10132	24.5
147.08037	2.8
147.11691	17.1
149.09689	3.1
149.13295	4.9
154.07736	3.4
155.08560	15.2
157.10150	17.9
159.11716	14.1
161.13257	11.3
163.11305	3.0
167.08527	7.7
169.10121	17.8
170.10938	1.8
171.11699	21.7
173.09529	2.2
173.13298	9.1
175.11246	1.9
175.14906	3.3
177.12733	2.2
179.08647	2.3
180.03308	1.5
181.10103	9.8
182.11078	1.6
183.11703	15.5
184.12315	2.0
185.13261	11.4
187.14915	4.8
193.10280	4.1
194.11017	1.5
195.11691	10.5
195.13411	1.6
197.13289	11.5
199.14859	8.3
199.65770	1.7
207.11852	3.7
207.13640	3.1
209.11729	3.5
209.13382	7.5
211.14888	8.6
213.16357	7.5
219.11815	2.5
221.13364	3.3
223.14966	3.5
225.16504	3.5
235.14806	3.9
235.17059	1.7
237.16463	2.9
239.18063	2.6
241.19536	8.4
247.14833	1.7
249.16400	2.2
259.20590	12.8
275.20291	1.7
279.15860	3.9
281.17371	8.8
285.22610	1.9
301.16693	1.8
311.20331	2.5
313.21783	2.6
313.27667	3.4
321.22028	2.0
323.23813	2.7
325.21661	1.8
333.24466	5.2
335.23767	2.5
339.23264	2.5
349.25464	2.7
353.24921	2.1
367.26617	2.8
406.96692	1.8
419.33542	3.0
429.31610	3.9
435.32446	1.8
437.34225	9.4
438.96280	1.9
447.32501	18.6
465.33734	21.3
483.34973	16.3
491.41907	1.9
501.36154	2.5
521.36163	10.5
527.37964	3.6
529.39215	6.6
539.37408	100.0
557.38605	68.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.384
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	4.6
55.01872	2.7
55.05512	19.0
57.03436	7.5
57.07080	4.6
60.95549	1.1
67.05509	33.3
69.03436	2.2
69.07073	15.2
69.78079	2.2
69.78474	5.9
71.04994	3.3
71.08634	2.0
72.88248	1.1
79.05494	31.2
81.03426	4.3
81.07057	36.9
81.07528	1.8
83.04985	3.5
83.08615	8.8
85.06556	3.2
85.43174	1.2
91.05487	29.5
91.06028	2.2
93.07049	32.8
93.07635	1.7
95.04961	5.9
95.08616	26.5
95.09181	2.2
97.06571	3.4
97.08206	1.2
97.10162	6.5
98.98495	2.4
99.08129	1.1
105.04562	1.2
105.07028	30.1
105.07680	2.1
107.04966	3.5
107.08607	17.0
109.06554	2.5
109.10161	7.9
111.04500	1.2
111.08080	2.2
115.05492	2.0
117.07021	14.3
119.08580	23.0
119.28683	1.2
121.06515	1.6
121.10166	13.1
123.08078	3.5
123.11736	2.4
125.09650	1.7
128.06265	5.3
129.07016	16.8
130.07811	1.4
131.08569	27.9
133.06577	1.9
133.10139	18.9
135.08090	1.5
135.11722	7.7
137.09634	2.7
139.11205	1.5
141.06982	7.3
142.07803	3.3
143.08565	19.8
145.06490	1.9
145.10132	25.2
147.08098	2.7
147.11699	17.1
149.13358	3.5
153.07007	1.4
154.07825	2.4
155.01036	1.8
155.08559	19.4
155.09711	1.4
156.09377	1.8
157.10132	18.7
159.08051	1.6
159.11707	14.6
159.26976	1.2
161.09637	1.7
161.13260	10.3
163.11165	2.2
163.14899	1.3
165.85648	1.1
166.07898	1.3
167.08600	8.2
168.09317	1.6
169.10139	21.8
171.11696	20.6
173.09732	1.7
173.13271	12.4
175.11182	1.4
175.14880	3.5
177.12836	1.6
178.07741	1.2
179.08612	3.1
181.10114	10.5
182.10988	1.7
183.11693	15.0
183.12943	1.1
185.09691	1.9
185.13258	13.2
187.11238	2.0
187.14877	3.9
189.12799	2.0
193.10237	3.6
195.11662	8.8
196.12512	1.5
197.13258	12.7
199.11131	2.2
199.14879	8.6
201.12708	1.4
201.16476	1.3
205.10269	1.5
207.11818	3.4
207.13882	4.1
208.12460	1.6
209.13258	9.8
211.14877	7.2
213.16370	8.4
219.11848	2.0
221.13356	5.2
223.14911	5.1
225.16435	5.0
231.21098	1.7
235.14981	2.9
237.16304	3.0
239.18159	1.3
241.19560	7.1
247.17131	2.5
249.16617	1.8
251.17885	2.0
259.20630	13.2
279.15869	2.9
281.17355	8.3
285.18530	1.2
285.21909	1.4
287.20056	1.7
295.20947	1.3
297.22040	1.5
299.23795	1.8
309.21967	1.4
311.23810	1.9
313.21826	2.0
313.27591	1.7
315.23370	2.2
321.22061	2.1
323.23859	3.2
325.21912	1.4
333.24261	3.6
335.23996	2.2
336.02319	1.2
337.25482	2.3
341.24734	1.7
353.24905	3.8
361.25470	1.4
419.33417	4.2
429.31714	4.6
435.33020	1.6
437.34268	8.7
447.32669	20.1
465.33615	23.3
483.34665	18.1
485.34290	1.9
501.36044	1.8
503.34656	2.1
511.38263	1.7
521.36414	9.8
527.37451	3.8
529.38635	8.1
539.37341	100.0
557.38538	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	557.3476
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	4.8
55.01873	7.8
55.05517	24.1
57.03436	5.0
57.07063	2.9
59.82645	1.2
63.42052	1.2
65.03936	1.5
66.64185	1.2
67.05509	47.3
69.03433	6.7
69.06451	1.2
69.07068	13.3
69.18044	1.2
69.79411	3.8
69.79828	4.0
71.04996	5.5
79.05494	31.7
81.03426	25.0
81.07062	43.3
83.04986	8.6
83.08638	11.7
85.02917	2.1
85.06534	2.2
91.05489	41.1
93.07053	24.6
95.04977	20.0
95.08610	25.7
97.02875	2.8
97.06523	5.5
97.10191	8.6
98.21407	2.1
105.07032	35.2
107.04971	11.7
107.08598	24.6
109.06517	7.3
109.10167	25.2
111.04465	1.7
111.08083	4.4
117.07017	14.2
119.04943	1.3
119.08598	17.7
121.06514	9.0
121.10153	8.4
123.08066	6.7
123.11707	2.6
125.09646	8.0
126.31302	1.4
128.06285	1.8
129.07037	7.1
130.07841	1.5
131.04965	2.4
131.08580	15.8
133.06474	6.6
133.10141	26.7
135.08041	6.5
135.11705	5.9
137.09660	3.9
141.06989	3.0
142.07797	2.9
143.08571	9.6
145.06435	7.9
145.10143	12.4
147.08041	6.0
147.11731	5.4
149.09636	7.8
149.13297	1.8
151.11189	10.3
153.09070	2.3
155.08572	4.9
157.06497	2.3
157.10139	10.4
159.08118	6.7
159.11665	6.9
161.05991	2.1
161.08502	1.7
161.09566	8.0
161.13277	1.7
163.11174	1.9
167.08585	2.5
169.10144	5.0
169.12299	2.4
171.08099	2.8
171.11714	5.9
173.09641	5.2
173.13258	1.7
175.07501	2.0
175.11212	8.3
175.14832	1.4
177.12793	2.3
181.10161	3.3
183.08031	1.8
183.11783	2.3
185.09637	3.6
185.13246	5.1
187.07611	1.5
187.11189	3.2
189.09134	1.6
189.11249	2.6
189.12769	3.2
192.09215	1.3
193.10440	1.2
193.12306	6.7
195.11713	2.3
197.09740	2.2
197.13260	1.9
199.11235	1.9
201.12776	3.8
203.14517	2.1
205.12207	2.7
209.13258	4.0
209.30887	1.4
211.11261	2.3
213.12738	3.8
221.13321	1.7
225.12735	1.9
227.12709	3.3
228.90945	1.7
239.14317	1.4
245.19188	1.6
249.14842	1.8
253.14360	23.9
257.15286	1.9
257.19080	1.6
267.16013	5.0
273.18530	6.1
275.20221	2.9
285.14856	1.6
287.20139	20.2
289.18185	1.9
291.19528	8.0
297.18396	2.2
313.21603	5.5
329.21042	2.9
341.21188	2.1
343.22760	1.8
347.22302	2.0
369.20459	2.2
387.22012	1.7
397.23471	1.9
417.20688	1.5
417.26306	1.6
429.27847	1.9
433.30688	1.5
437.31027	1.6
447.28851	4.6
457.25970	2.8
461.25290	9.2
465.30157	13.3
469.25287	1.4
475.27121	1.5
483.31177	8.9
487.26874	4.0
515.33832	2.0
515.88873	1.3
521.32501	2.3
525.35449	1.8
539.33679	26.9
557.34711	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.3472
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	5.5
55.01871	7.2
55.05269	2.2
55.05511	28.9
57.03431	5.1
57.07054	2.3
59.05005	1.6
65.03944	3.5
67.05508	42.4
69.03426	3.8
69.07068	14.9
71.04985	4.0
71.53053	1.5
79.05494	35.4
81.03420	19.9
81.07053	42.2
83.04976	9.0
83.08620	15.3
85.06570	3.2
85.35348	1.4
91.05484	36.8
93.07040	28.4
95.04984	17.5
95.08614	23.7
97.02904	1.5
97.06522	4.3
97.10167	16.8
99.08081	2.0
105.07031	33.6
105.07692	2.6
107.04986	8.2
107.08592	24.8
109.02878	4.9
109.06529	7.3
109.10152	18.5
111.04420	1.9
111.08083	3.8
115.05457	2.6
117.07017	16.8
119.04931	1.6
119.08584	23.4
121.06516	4.8
121.10130	8.8
123.04402	2.5
123.08099	3.6
123.11717	3.2
125.09651	12.5
128.06187	3.2
128.94142	1.5
129.06999	12.1
130.07777	1.9
131.04913	2.1
131.08568	23.9
133.06508	3.7
133.10135	23.2
135.08041	6.2
135.11678	6.2
137.09641	2.7
141.06993	6.8
142.07817	2.8
143.08580	15.7
145.06477	4.9
145.10118	18.0
147.08080	6.2
147.11707	7.1
149.09622	4.0
149.13283	1.8
151.11177	6.1
153.06989	1.5
155.08549	8.8
156.09296	2.1
157.06514	2.7
157.10092	13.8
159.08080	5.1
159.11711	12.6
161.09599	7.0
161.13292	3.1
163.11159	1.9
165.09161	1.4
167.08563	5.1
169.10123	10.5
171.08084	3.8
171.10358	2.2
171.11653	10.0
173.09651	4.0
173.13289	4.4
175.07607	1.7
175.11223	5.1
179.10669	1.6
181.10107	5.3
183.08122	1.8
183.11670	7.7
185.09648	3.3
185.13283	6.2
187.11221	4.2
189.09245	2.5
189.11258	6.7
189.12759	2.1
193.10318	1.8
193.12300	4.6
195.11693	4.5
196.08965	1.7
197.09677	3.1
197.13287	4.8
199.11241	4.9
199.14859	2.8
201.12703	2.8
205.10307	1.6
205.12218	2.6
207.11737	2.5
209.09654	1.8
209.13272	3.8
211.11232	3.4
211.14853	3.2
213.12784	2.4
223.14987	2.6
227.12811	5.2
237.12735	2.2
239.14290	1.8
246.91855	1.5
253.14336	7.4
255.17407	1.7
257.18982	3.8
259.17041	1.5
259.20654	1.8
267.15952	3.1
273.18622	8.3
275.20020	8.3
281.13809	3.2
283.20618	2.2
285.22165	2.4
287.19965	8.2
291.19638	11.4
295.20572	1.9
297.18460	3.3
311.20047	2.7
313.21588	15.6
323.19998	3.6
329.21118	1.9
337.21695	2.2
337.54892	1.5
341.21075	1.7
347.22046	2.8
401.28229	2.1
419.29559	6.4
429.28217	2.5
437.30453	5.9
445.25851	1.6
447.28928	14.4
455.31238	2.2
461.25613	4.5
465.29944	29.4
483.30978	23.2
487.27087	1.4
501.32352	1.8
511.34271	7.7
513.36249	2.7
521.32452	3.1
529.35315	21.1
539.33740	67.0
557.34741	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.1294
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02375	0.6
52.94730	0.2
53.03950	2.2
55.01874	0.3
56.96563	0.2
60.50629	0.2
64.03154	0.2
67.05504	0.5
69.03413	0.4
69.07069	0.4
69.28099	0.9
69.28523	0.5
69.75183	0.2
70.06609	0.2
77.03922	0.8
78.08120	0.1
79.05497	2.0
81.03423	0.7
81.07056	0.2
85.02906	0.3
91.05508	0.2
92.02616	1.3
93.07037	0.2
95.04971	2.4
95.08609	0.2
97.02905	0.6
97.06540	0.4
98.20781	0.3
98.97585	0.2
98.98486	1.0
103.97745	0.2
105.03401	0.6
105.04510	1.4
105.06991	0.3
107.04969	0.6
109.02863	0.2
109.10154	0.2
111.27824	0.2
120.02105	0.4
121.02884	0.5
121.10152	0.2
123.04420	0.3
125.73511	0.1
127.03979	0.2
135.04419	100.0
136.04799	0.2
139.03868	0.3
149.02251	0.2
153.01897	0.4
153.05475	1.1
163.03888	0.7
167.03423	0.2
173.02373	0.3
187.03920	0.4
201.05557	0.3
205.04950	0.2
211.03954	0.2
213.05580	0.2
213.32637	0.2
215.03453	0.3
215.07030	0.2
217.04976	0.8
218.05910	0.2
228.04179	0.6
229.04999	0.5
232.03737	0.3
233.04453	1.2
237.07645	0.2
239.03362	0.3
241.05002	0.2
241.87938	0.2
243.02792	0.3
245.04494	1.3
246.05182	0.9
249.03931	0.2
256.03745	1.2
257.04495	1.9
259.09647	0.9
260.03162	0.7
261.03784	1.1
267.03067	0.3
269.04532	0.2
271.06030	0.3
273.03949	9.1
274.04742	5.3
275.05548	0.4
285.03955	5.3
287.05563	1.1
295.05972	0.2
297.03909	0.6
299.05463	0.8
301.03510	0.4
303.04999	40.4
304.05441	0.2
309.03912	0.5
309.13907	0.4
313.03494	0.3
313.07037	0.4
315.05026	0.2
323.05478	0.4
327.05032	2.6
332.11905	0.9
339.05029	0.2
345.05994	0.2
351.05002	0.9
369.06058	1.4
387.07111	1.6
405.08237	0.9
414.26407	0.3
465.19550	0.3
539.11377	0.3
557.12787	3.0
557.25641	0.9
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	Revandchinone 4
Peak:m/z	Relative Intensity
51.34541	0.8
53.03946	3.9
55.01873	7.2
55.05511	23.1
57.03423	3.3
59.04995	1.2
65.03931	2.4
67.05505	31.0
69.03426	5.5
69.07069	14.0
71.04986	2.1
71.16647	1.6
79.05493	24.2
81.03421	35.7
81.06590	1.4
81.07057	23.4
83.04989	4.4
83.08614	13.3
85.06537	2.0
89.24646	0.8
91.05482	24.3
93.07050	15.7
95.04979	17.3
95.08620	9.9
97.02898	7.6
97.06530	4.5
97.10172	15.5
105.04505	0.9
105.07034	15.6
107.04958	10.1
107.08596	13.5
109.02909	1.3
109.06534	6.8
109.10154	8.4
111.08082	4.4
115.05453	2.2
117.07016	9.0
119.04932	1.4
119.08583	16.5
121.06502	6.4
121.10136	6.1
123.04504	0.9
123.08061	2.7
123.11682	1.6
125.09637	12.5
128.06218	1.5
129.06999	7.9
130.07729	1.1
131.04941	1.6
131.08572	10.3
132.57352	1.0
133.06483	4.6
133.10115	7.5
135.08052	5.8
135.11688	2.6
137.09605	3.5
141.06985	2.2
142.07787	2.4
143.08551	4.9
145.06497	4.0
145.10135	7.0
147.08052	8.1
147.11658	4.5
149.09625	4.0
151.11191	1.6
153.09149	2.0
155.08601	3.1
157.06615	1.5
157.10129	8.6
159.08066	2.5
159.11714	3.4
161.09604	3.3
161.13286	1.6
163.11171	3.7
167.08620	1.7
168.09293	0.9
169.10161	2.9
171.08101	2.1
171.10233	1.3
171.11716	2.6
173.09589	1.0
173.13255	2.0
175.09991	0.8
175.11169	4.5
177.12785	1.0
177.63121	0.8
179.08554	1.1
181.10117	0.9
183.11713	1.8
185.09583	1.9
186.56297	0.9
187.11185	0.9
189.09471	1.1
189.11211	7.2
193.12221	8.5
195.11652	1.8
197.13312	1.2
199.11168	2.1
201.12747	2.9
204.36201	1.0
205.12277	1.7
207.11775	0.9
207.13818	1.1
211.11313	0.9
213.12733	1.6
217.97684	0.9
219.13820	9.9
223.11244	1.5
223.13235	8.1
225.12761	1.1
227.12712	10.5
227.14571	1.0
227.17842	0.9
245.15524	1.0
245.18985	1.2
249.14801	1.2
253.14290	1.4
257.15524	0.9
267.15952	2.2
271.16934	0.8
273.18472	8.3
275.20023	1.8
285.22214	0.9
291.19534	40.6
295.20471	1.6
295.23859	0.8
297.18362	2.1
311.19974	0.8
313.21649	8.5
315.19501	1.2
347.22363	1.2
353.21271	1.0
365.23386	1.0
367.22977	0.9
371.22372	1.7
397.22900	1.1
409.57663	0.9
429.27280	1.0
445.25842	6.1
447.29156	2.6
459.27350	2.3
465.29980	5.1
483.30966	7.4
501.32413	1.2
521.32385	1.3
529.35376	1.7
539.33691	22.2
557.34753	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	556.2967
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	0.9
55.05511	11.9
57.03422	3.2
59.05001	1.5
65.03928	1.0
67.05497	2.2
69.03434	9.4
69.07054	2.9
69.61423	2.0
69.61833	2.6
70.06575	2.7
71.04987	1.6
79.05505	1.5
81.03416	1.5
81.07038	3.4
83.04987	8.9
83.08621	11.4
84.04485	0.9
85.02912	5.8
85.06521	1.6
87.04471	5.7
91.05480	1.2
93.07035	6.4
95.04975	7.0
95.08582	4.4
97.02892	12.6
97.06532	2.7
97.10165	2.0
99.04448	1.9
99.08034	1.0
105.07021	3.2
107.08585	10.0
107.97649	0.8
109.06500	3.2
109.10159	7.5
110.07171	1.2
111.08089	2.9
115.03926	12.2
115.07556	3.9
119.08563	2.1
121.06518	0.8
121.10146	19.8
123.04433	2.5
123.08059	1.4
123.11704	2.8
125.09611	3.0
127.03936	1.9
131.08551	1.7
133.04962	9.0
133.10124	5.4
135.08057	1.2
135.11679	1.2
137.05951	1.8
138.05476	1.8
139.03900	3.6
139.11269	0.8
145.02921	0.8
145.04942	1.4
147.04402	1.7
147.11702	1.8
149.13245	2.9
150.07639	1.1
151.11200	16.6
152.05675	1.8
153.09106	3.4
156.07710	1.8
163.03902	1.9
163.14769	5.1
165.05492	1.0
167.13014	1.3
167.14314	16.8
169.12253	1.2
173.13251	5.7
175.14836	2.1
187.07545	0.9
191.14299	6.6
209.15367	100.0
210.15707	0.8
227.16440	12.2
233.15437	0.9
251.16402	0.8
272.13052	1.1
277.09073	1.0
291.08578	2.0
295.10083	2.4
305.17426	1.0
413.72824	0.8
574.55908	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	556.4209
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	1.7
54.90118	1.1
55.01860	2.5
55.05507	8.7
57.03442	7.9
57.07080	27.8
62.69740	1.0
66.37328	1.0
67.05179	1.3
67.05507	13.8
69.07073	10.2
70.06586	1.1
71.04970	1.1
71.08636	22.3
73.02921	1.2
75.01631	1.0
79.05496	15.1
81.07059	20.3
83.04979	2.8
83.08209	1.4
83.08627	13.0
85.10181	10.9
89.06039	11.0
91.05471	5.9
93.06483	1.7
93.07040	24.7
95.04980	3.4
95.08611	39.6
97.02876	2.2
97.06522	3.6
97.10152	4.6
98.21555	2.1
99.04459	2.2
104.10769	1.3
105.07010	4.2
107.04951	6.5
107.08597	19.2
109.06474	1.3
109.10165	7.3
111.11720	1.1
117.06995	6.8
119.08607	6.8
121.06470	4.9
121.10157	7.7
123.11689	3.7
125.06008	2.0
133.08600	6.0
135.08035	1.6
135.11693	39.6
139.07521	1.6
142.60501	1.1
145.10121	21.5
163.11186	46.0
175.99084	1.1
177.11234	1.8
181.12256	9.5
227.12782	62.0
239.23724	2.3
256.26370	1.6
257.24805	3.0
283.15387	70.7
283.26273	6.4
300.28842	3.0
311.29456	1.4
313.27371	100.0
335.62125	1.2
371.22647	3.7
521.38428	80.0
556.52887	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	556.4423
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	2.4
57.03450	1.2
57.07080	89.8
59.05006	30.8
61.93645	0.9
63.02364	1.1
65.99435	0.9
67.05497	2.9
69.07069	2.5
69.35802	7.1
71.08635	100.0
81.07062	2.9
83.08617	4.1
85.10187	87.5
87.04466	4.2
89.06036	76.7
91.05482	1.5
93.07029	1.7
94.64336	1.0
95.08611	3.2
97.10168	1.4
97.57796	1.1
98.20797	2.4
99.11745	9.9
101.09643	2.9
103.07575	1.2
109.10177	2.5
113.18138	1.1
117.09145	5.5
125.09657	1.1
130.08618	3.3
131.06984	2.2
133.08611	51.6
141.16408	11.8
145.08740	1.1
147.10146	1.3
175.09665	1.9
177.11224	29.7
177.13658	1.1
199.20578	29.0
221.13826	4.5
239.15115	1.3
257.24762	15.9
265.16312	2.1
265.79443	1.1
283.14706	1.4
283.17563	21.4
283.20441	2.1
312.11133	1.1
313.27377	3.6
323.20541	5.6
327.19962	1.3
341.21707	8.2
366.27921	1.2
371.22760	15.4
381.24826	2.0
483.62787	1.2
538.37878	1.0
539.41016	4.5
556.43915	3.9
556.52533	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	554.4628
Annotation	Unknow
Peak:m/z	Relative Intensity
53.07108	2.1
57.07078	100.0
59.05000	47.7
60.05985	1.9
62.65961	2.2
69.07108	2.2
71.08633	72.9
82.60822	2.4
85.10183	68.8
89.06035	15.9
97.10195	3.1
98.20628	4.5
99.11726	12.5
101.09678	3.8
103.07542	3.4
103.95454	2.1
113.13280	5.5
114.23235	2.1
117.09143	17.6
133.08580	13.8
151.09596	3.9
155.17950	13.0
191.12788	7.0
213.22160	21.9
229.45547	3.0
267.18033	3.3
271.26309	30.0
414.12756	2.8
437.29709	2.4
554.35297	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	555.3896
Annotation	Unknow
Peak:m/z	Relative Intensity
53.67896	5.5
55.01843	6.0
55.05515	25.1
57.03432	20.7
57.07082	53.8
57.37077	4.6
58.41115	4.7
65.85245	5.6
67.05513	30.3
69.07087	12.0
70.49104	5.1
71.08639	28.1
79.05488	12.0
79.70418	5.2
80.09519	4.7
80.15771	5.1
81.07053	40.0
83.08622	17.9
85.10188	17.9
91.05506	31.8
93.07053	14.4
95.08619	33.2
96.69724	5.3
97.10170	6.6
98.21521	13.4
99.00820	14.8
99.91510	5.9
105.07030	24.3
107.08603	11.7
109.02918	13.5
109.10129	24.5
111.08071	6.9
112.02210	5.0
115.04025	6.6
119.08588	8.7
121.06498	7.5
121.10174	6.0
123.11700	5.9
133.10129	37.2
133.43935	5.3
143.08611	6.3
148.55908	5.3
151.11208	11.0
161.09622	22.4
173.09082	5.8
179.10742	14.5
189.09155	8.8
198.97397	24.9
212.31071	5.8
215.12813	10.1
225.11243	22.8
227.49052	5.5
239.23643	5.9
263.01544	5.1
281.13943	7.0
299.14917	94.3
313.27411	100.0
334.42981	4.9
353.52945	5.4
398.23935	5.5
427.08929	5.4
463.22058	31.8
537.37769	60.2
555.26367	23.0
555.38837	22.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.3893
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00313	7.0
53.03951	3.1
55.01876	2.0
55.05511	20.3
57.03438	13.4
57.07078	35.7
59.05008	3.5
61.74567	1.6
67.05502	26.2
69.03436	3.5
69.07077	10.0
69.25939	12.8
69.83826	1.6
70.15589	1.6
71.01366	2.2
71.05000	1.9
71.08635	26.6
79.05492	11.9
81.03426	3.2
81.07063	24.9
83.04987	3.0
83.08624	21.8
85.10184	15.3
89.06037	5.5
91.05489	19.2
93.07053	15.5
95.04969	4.2
95.08611	25.8
97.02924	4.7
97.06538	3.2
97.10188	7.2
99.00813	18.9
105.07024	15.5
107.04978	6.0
107.08612	6.8
109.02904	9.4
109.06522	2.6
109.10164	14.8
111.08113	4.9
115.03992	2.2
115.05495	2.6
117.07069	3.5
119.07890	1.7
119.08577	9.0
121.06522	6.5
121.10204	1.7
123.04433	2.8
123.11723	5.0
131.04988	1.9
131.08678	2.7
133.08607	2.1
133.10130	33.6
139.07576	3.4
143.08577	4.8
145.06546	2.1
151.11206	6.4
161.09624	18.6
171.08089	5.1
179.10721	11.7
189.07585	2.0
189.09044	8.4
197.11728	3.5
207.10194	3.2
225.11211	21.0
239.23772	4.1
243.12314	4.1
254.39241	1.7
254.58119	1.6
281.13901	5.3
299.14896	91.3
303.21439	1.9
313.27362	100.0
371.22556	1.7
537.37872	59.1
555.38965	2.7
576.49133	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	556.2028
Annotation	Unknow
Peak:m/z	Relative Intensity
52.94178	0.3
53.03942	0.6
57.03421	0.3
59.05016	0.3
60.05649	0.4
67.05487	0.5
69.03429	1.7
69.07065	0.3
69.55650	1.7
70.04092	1.4
70.04401	0.3
70.06590	0.8
72.08144	0.4
79.05473	0.4
81.03401	1.4
81.07040	0.4
84.04510	0.5
84.08156	0.4
85.02901	1.2
86.09713	0.8
87.04464	1.0
91.05496	0.4
93.07024	0.4
93.90537	0.2
95.04959	0.8
95.08596	1.1
96.04475	0.3
97.02893	13.5
98.20831	0.4
98.97599	0.4
105.03406	0.9
105.07043	0.6
109.02879	10.2
111.04449	0.6
112.03967	100.0
115.03918	0.6
121.06533	0.3
122.05984	0.3
123.04433	6.7
123.08042	0.7
133.04967	0.7
135.04414	0.4
135.13208	0.3
145.02835	0.4
151.03944	0.3
151.07541	8.5
152.07071	3.2
161.05997	0.3
163.03922	2.2
193.70738	0.3
198.57167	0.3
206.03008	0.7
219.06593	0.7
237.07555	1.0
243.09090	0.3
249.62614	0.3
260.01685	0.3
262.01443	1.3
262.10751	28.8
267.09167	0.3
268.10629	0.5
274.09195	1.8
305.24228	0.3
317.11545	0.3
354.03409	0.3
424.06723	0.7
424.16028	19.0
524.20508	0.4
556.20325	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	552.4262
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	7.5
55.05499	5.5
56.05023	1.4
57.07058	4.6
61.29131	1.1
67.05494	5.9
69.07058	3.2
69.30748	10.4
70.02932	2.1
70.06596	6.3
71.04655	1.3
71.05005	11.7
71.08616	2.1
79.05487	2.7
80.05019	2.4
81.03419	2.3
81.07050	6.3
83.08617	6.5
86.06062	1.8
86.09702	1.7
91.05474	3.2
93.07047	3.6
94.06554	2.8
95.08605	4.6
96.08141	7.5
97.10155	7.1
98.06039	1.6
98.09101	1.7
98.09691	16.9
104.10728	2.3
105.07033	2.6
106.06589	1.5
106.54037	1.2
107.08576	3.2
108.08091	4.8
109.10137	2.0
119.08591	2.5
120.08084	3.1
120.08877	1.2
121.08856	1.4
122.06040	15.7
124.07600	11.8
125.09631	6.3
135.08051	1.6
136.07587	16.4
140.07062	11.8
147.94736	1.1
148.07582	12.6
149.08344	5.9
162.09198	1.5
184.07372	1.5
189.11143	1.3
200.71577	1.1
201.01514	1.3
232.16985	9.3
250.18047	21.3
260.16464	33.2
260.19098	2.4
268.19052	5.4
278.17529	23.1
296.15210	2.6
296.18579	50.4
297.18777	1.1
331.59586	1.4
335.26007	1.8
405.88342	1.4
534.41571	100.0
552.40649	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	553.2031
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02401	0.3
55.01886	0.3
57.03444	0.6
59.05012	0.2
61.97216	0.2
67.05521	0.4
69.03441	0.5
69.52992	0.2
71.24338	0.4
78.03467	0.7
78.60282	0.2
79.05481	0.4
81.03430	0.7
81.07066	0.5
82.02931	0.2
85.02879	0.5
89.04018	0.2
91.05492	0.6
93.07043	0.4
95.08588	0.2
96.04491	14.3
96.08149	0.5
97.02885	0.3
99.08060	0.3
105.07056	0.3
105.20335	0.3
108.04472	0.3
109.02937	0.3
109.10150	0.3
111.03196	0.5
112.03967	22.3
119.08562	0.4
124.04008	0.3
124.07606	1.8
127.03909	0.5
136.07578	55.1
137.07947	0.3
147.11748	0.4
152.07063	100.0
153.07382	0.3
171.06421	0.2
194.11757	3.4
210.11258	4.1
305.14893	1.5
356.13379	2.8
360.09155	0.8
360.13242	0.4
372.16211	0.3
400.12427	9.4
414.17249	0.5
458.10593	0.2
458.16537	3.4
467.20251	2.1
535.18677	0.6
553.20233	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	553.2984
Annotation	Withangulatin D
Peak:m/z	Relative Intensity
53.03941	0.6
55.05504	0.8
57.03429	0.7
67.05502	2.9
69.39105	0.6
71.52330	0.8
72.08147	0.9
79.05502	1.7
81.03415	1.3
81.07057	1.4
81.40657	0.6
83.04987	0.6
85.02909	0.8
86.09715	1.1
91.05456	1.4
92.94542	0.6
93.07043	2.0
95.04936	0.7
95.08616	1.1
97.06525	0.6
97.08738	0.7
104.10808	0.6
105.07025	1.1
106.86974	0.6
107.08625	1.3
109.06512	0.7
109.10159	2.2
124.99986	0.8
131.08597	0.6
167.56311	0.6
184.07307	3.2
185.04248	2.6
189.11313	0.6
201.03714	1.0
259.07654	0.6
281.10983	0.7
281.38605	0.6
316.37692	0.7
317.20010	0.6
331.10043	3.2
353.25409	0.5
357.17078	0.6
359.13388	0.6
373.14886	0.7
401.17938	0.6
415.19794	1.2
483.22128	1.8
505.85770	0.6
553.29810	100.0
554.30206	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.3297
Annotation	Unknow
Peak:m/z	Relative Intensity
52.24699	0.3
55.05503	0.7
56.05017	0.7
57.07071	0.3
58.06608	1.0
59.82158	0.3
60.08164	12.7
67.05496	1.8
69.07062	0.8
70.76133	0.6
70.76449	0.5
71.07376	5.4
79.05513	0.7
81.03413	0.4
81.07056	1.0
82.13885	0.3
83.04917	0.4
86.09706	44.8
91.05476	0.8
93.07018	1.0
95.08617	0.7
97.06555	0.4
98.20719	0.4
98.97816	0.4
98.98458	3.0
104.10744	71.9
105.07014	0.3
107.08595	0.3
119.08597	0.4
121.10134	0.6
125.00005	24.9
127.03897	0.5
148.41635	0.3
149.13194	0.3
163.01585	0.5
184.07339	100.0
229.07520	0.4
258.11032	0.9
267.50262	0.3
317.49078	0.4
339.62726	0.3
354.35101	0.3
434.22946	1.4
452.24057	8.1
516.30811	1.2
534.31921	7.5
552.33032	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	552.3301
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	0.1
56.05033	0.4
56.96561	0.2
57.03437	0.2
58.06625	0.4
60.08165	6.2
67.05506	0.5
70.06603	0.2
70.56591	0.4
71.07378	2.5
76.66283	0.1
77.34073	0.1
79.05492	0.4
81.07043	0.3
82.61362	0.1
86.09710	29.3
91.05510	0.2
93.07076	0.2
98.98470	2.5
104.10758	3.1
105.07050	0.2
119.08590	0.2
125.00009	20.0
143.01082	0.2
147.11632	0.2
184.07347	100.0
185.07626	0.3
292.74506	0.2
436.24597	0.3
446.22757	0.4
464.24182	2.0
500.31046	0.3
518.32385	2.5
528.59296	0.2
534.31805	0.3
552.28284	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.3299
Annotation	Unknow
Peak:m/z	Relative Intensity
50.81652	0.2
50.88184	0.2
51.43073	0.2
55.05504	0.7
56.05026	1.0
57.03421	0.3
57.83624	0.2
58.06583	1.8
59.07384	1.0
60.08167	14.2
61.02922	0.3
67.05501	1.9
69.03422	0.3
69.07069	0.6
70.06589	0.2
71.07373	4.7
71.38459	0.3
71.38816	0.3
72.08162	0.2
79.05498	1.4
81.07068	1.5
83.04985	0.4
86.09707	43.5
91.05494	1.4
93.07058	1.4
95.04974	0.4
95.08595	1.1
98.98465	3.3
104.10745	86.4
105.07031	1.0
107.08611	0.6
109.06492	0.3
109.10161	0.3
119.08595	0.6
121.10167	0.3
125.00009	22.7
129.07028	0.3
131.08574	0.4
133.10135	0.4
139.03943	0.3
145.10138	0.4
147.11729	0.5
163.01505	0.6
166.46393	0.2
166.55989	0.3
176.10130	0.2
181.02611	0.3
184.07343	100.0
185.07721	0.3
199.03687	0.3
228.66650	0.2
258.11047	1.3
434.23022	1.6
436.24603	0.8
446.23242	1.4
452.23557	0.3
464.24084	8.5
500.31488	1.1
516.30994	1.9
518.32465	11.8
534.31812	2.4
552.28455	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	552.4029
Annotation	LysoPC(20:0)
Peak:m/z	Relative Intensity
51.18362	0.4
55.05513	1.3
56.05020	1.8
56.96569	0.6
57.03435	0.8
57.07082	3.6
58.06599	0.9
59.05010	0.5
60.08166	16.7
61.08472	0.5
62.08762	0.5
67.05500	1.5
69.07076	2.0
70.20293	2.0
71.07378	5.4
71.08631	2.3
79.05460	0.8
81.03411	1.4
81.07065	2.6
81.67202	0.5
83.04995	0.6
83.08625	1.6
85.10159	1.2
86.09711	46.7
93.07075	0.6
95.08607	2.0
97.10147	1.3
98.98475	3.3
104.10748	100.0
107.08600	0.7
109.10139	1.8
121.64338	0.4
125.00007	27.2
148.27347	0.5
149.01234	1.4
160.80240	0.5
163.01585	0.6
167.82643	0.4
180.96010	0.6
184.07349	99.8
258.11075	2.2
267.16028	1.3
268.16354	0.6
319.19437	0.6
337.20480	0.7
369.33591	1.6
374.25879	1.5
374.75952	2.8
534.39014	7.6
552.40277	59.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.431
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	2.8
53.14699	2.2
55.01868	3.0
55.05510	11.7
57.03440	17.5
57.07080	43.7
59.04990	2.2
67.05519	21.0
69.07081	11.3
71.05008	3.6
71.08634	25.5
73.63254	2.1
79.05499	11.8
81.03419	73.6
81.07054	22.2
83.04966	4.1
83.08634	25.9
85.10181	13.8
86.09707	7.9
91.05487	16.0
93.07041	8.6
93.55804	2.0
93.69014	1.9
95.04978	16.5
95.08601	22.2
97.02855	2.4
97.06546	2.7
97.10181	8.0
104.10733	10.2
105.07040	10.1
107.04993	4.4
107.08612	3.8
109.06525	2.0
109.10159	8.3
111.04449	2.7
111.08101	4.5
111.11717	2.9
117.07025	3.8
119.08605	10.1
121.06533	3.9
121.10134	6.5
123.11743	4.0
125.00024	2.9
129.07008	6.2
131.08562	6.7
133.10146	4.6
137.13199	2.7
142.07707	2.3
147.08069	3.4
147.11674	4.7
149.09587	3.5
157.10164	7.3
163.11156	2.8
175.11192	7.7
184.07314	10.9
193.12247	34.0
211.13188	3.6
228.13069	2.8
249.14708	2.4
267.15930	100.0
267.26843	2.5
341.30508	93.8
419.50275	2.1
533.41992	61.5
551.41968	9.6
552.39557	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	552.1715
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02383	0.2
69.03433	0.4
70.06589	0.1
70.21892	0.1
70.49610	0.4
78.03452	1.4
80.05022	0.2
81.03413	0.2
85.02911	0.3
92.95576	0.1
96.04479	0.2
97.02892	100.0
100.11251	0.2
106.02918	4.6
115.03959	0.1
116.64581	0.1
121.02856	0.4
124.03948	5.7
127.03931	0.3
137.05931	0.2
153.05435	0.1
163.03903	0.2
166.08649	0.2
182.07932	0.1
196.06021	0.2
220.06049	22.4
226.42679	0.1
238.04648	0.2
238.07089	3.8
256.08224	2.2
382.11218	0.3
400.12405	4.4
552.44226	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.33
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	0.9
56.05033	1.4
56.64190	0.3
56.96561	0.3
58.06577	1.4
59.07372	0.4
60.08166	17.0
67.05508	2.4
69.07066	0.9
70.06598	0.3
70.52115	0.9
71.07377	6.3
71.08624	0.4
78.41773	0.3
79.05502	1.4
81.03413	0.4
81.07066	1.6
83.05002	0.5
83.08610	0.3
85.02926	0.4
86.09708	49.6
91.05484	0.9
93.07047	1.2
95.04968	0.7
95.08607	1.1
97.06526	0.6
97.10157	0.4
98.98473	3.4
104.10746	100.0
105.07034	1.0
107.08630	0.6
109.10146	0.7
119.08562	0.3
121.06454	0.3
121.10120	0.4
123.04510	0.4
125.00009	27.4
125.09660	0.3
127.03981	0.3
129.62662	0.3
133.10184	0.4
145.10156	0.3
163.01537	0.8
184.07346	88.2
185.07733	0.3
200.38548	0.3
201.12755	0.3
258.11139	0.9
258.23187	0.3
351.25491	0.3
434.23132	1.7
438.22986	0.3
452.24115	10.5
516.30768	2.1
527.34326	0.3
534.31958	15.8
537.75385	0.3
552.33075	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	552.3297
Annotation	Unknow
Peak:m/z	Relative Intensity
50.29391	0.1
55.05505	0.3
56.05033	0.5
57.03420	0.2
58.06623	0.5
59.07373	0.2
60.08167	6.2
61.52119	0.1
62.82341	0.1
67.05497	0.4
69.07043	0.1
70.06587	0.2
71.07378	2.9
71.08629	0.1
79.05508	0.3
81.07056	0.5
81.22380	0.1
86.09709	30.7
86.23678	0.1
91.05482	0.2
93.07052	0.3
95.04982	0.3
95.08617	0.3
97.02885	0.2
98.98468	2.5
104.10748	6.2
105.07050	0.2
109.10183	0.2
119.08607	0.2
121.10139	0.3
125.00011	19.3
139.03912	0.1
143.00969	0.2
145.10193	0.1
166.06360	0.1
184.07347	100.0
185.07732	0.2
190.62791	0.2
191.29163	0.1
229.53493	0.2
235.64763	0.1
258.11060	0.3
452.24088	1.2
516.31403	0.2
534.32013	1.9
552.33038	5.8
553.33527	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	551.2832
Annotation	Gln Phe Glu Lys
Peak:m/z	Relative Intensity
55.05502	0.8
59.92255	0.6
61.02910	0.6
67.05502	2.0
69.07053	0.7
71.52596	0.5
71.84013	0.5
72.08167	1.3
79.05502	1.1
79.09097	0.6
81.03414	1.0
81.07053	2.2
85.02911	0.8
86.09711	2.2
91.05495	1.1
93.07058	1.1
95.05000	0.5
95.08594	0.8
97.02889	0.9
97.06538	0.8
105.07020	1.2
107.08631	0.8
109.10233	0.5
112.69295	0.5
115.05389	0.6
121.10165	0.8
123.04430	0.6
124.99998	1.4
139.03877	1.5
152.41267	0.5
163.03886	1.4
184.07358	6.8
185.07687	0.9
190.85071	0.6
209.67194	0.5
210.50940	0.6
215.13707	0.5
285.10138	0.7
389.23080	2.1
419.13956	0.6
459.57361	0.5
469.43924	0.6
500.17999	0.6
551.28326	100.0
552.28571	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.4253
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02371	2.0
53.03946	6.1
55.05516	17.6
57.03428	1.7
57.07083	11.8
59.05004	2.0
65.03935	4.1
67.05511	32.4
69.06722	2.2
69.07071	20.8
71.08628	4.5
76.75697	1.5
78.51453	1.6
79.05495	24.1
81.03424	10.9
81.07061	43.8
83.04988	1.9
83.08622	11.4
85.06548	2.5
85.10179	4.0
91.05488	38.9
93.07049	53.9
95.04983	7.0
95.08614	46.8
97.10160	1.6
98.21503	3.8
101.22728	1.5
103.05460	3.8
105.04562	2.0
105.07037	68.6
107.08603	49.4
107.71886	1.4
109.06516	2.2
109.10165	44.3
111.08109	2.1
115.05453	4.0
115.80402	1.8
117.07031	16.4
119.06107	2.1
119.08589	100.0
121.06505	1.8
121.10148	49.4
123.08028	2.0
123.11731	12.5
128.06221	6.5
129.07018	11.9
130.07809	7.6
131.08577	28.6
133.10143	60.5
135.07986	1.3
135.11700	35.0
136.14288	1.6
137.09604	4.7
137.13245	1.7
138.90967	1.4
141.06975	4.7
142.07803	13.3
143.08580	25.9
144.09346	6.9
145.10130	71.1
147.08012	1.8
147.11708	23.9
149.09621	2.5
149.13248	5.3
151.14862	1.7
154.07759	3.6
155.08557	9.8
156.09357	9.5
157.10133	36.0
158.10876	5.4
159.11705	36.2
161.13249	10.5
163.11203	2.5
163.14859	2.2
165.06950	4.2
167.08553	6.5
168.09360	4.2
169.10120	19.1
170.10876	6.2
171.10278	1.7
171.11691	23.6
172.12428	2.3
173.13271	24.2
175.11232	2.1
175.14835	37.4
178.07655	1.6
179.08566	5.9
180.09332	2.8
181.10100	10.6
182.10873	6.2
183.11696	17.4
184.12468	3.6
185.13271	15.8
187.14812	11.0
189.16368	4.0
192.09377	1.9
193.10135	6.2
193.12210	7.8
194.10927	3.4
195.11679	11.9
196.12427	5.4
197.13292	17.4
198.14040	2.0
199.14850	8.4
201.16383	11.5
203.14020	1.5
203.60629	1.7
206.10677	1.9
207.11650	7.7
208.12511	4.3
209.13297	14.3
210.13956	2.8
211.14842	11.2
213.16377	4.7
215.17888	1.6
219.17332	3.3
221.13286	5.9
222.13936	2.3
223.14816	11.5
224.15488	2.7
225.16376	5.0
227.17851	3.2
229.52153	1.8
232.12495	2.0
233.13200	3.1
235.14813	5.9
237.16394	3.7
239.17812	3.3
241.19533	5.6
247.14790	2.5
249.16541	4.0
251.18065	1.9
253.19469	5.2
255.21004	1.9
257.19019	3.1
259.14667	1.9
259.20667	2.3
261.16663	2.5
263.17923	3.5
265.19495	5.2
267.15918	8.5
267.21094	5.2
277.19510	2.8
279.21112	2.9
281.22540	1.7
285.22092	3.7
289.19452	2.9
297.22128	2.2
303.20889	1.7
319.23947	1.9
331.24197	2.0
333.25891	2.5
337.25299	2.1
341.30621	10.1
345.25583	3.2
495.36053	2.3
533.42206	8.2
551.42639	34.0
551.50897	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	550.3868
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05520	2.5
56.05037	1.1
57.03434	0.9
57.07071	1.3
58.06579	1.7
59.05013	0.6
60.08168	15.9
67.05514	1.4
69.07079	2.5
69.39825	0.8
69.40234	1.7
71.07377	7.1
71.08640	0.6
72.46099	0.3
79.05499	0.7
81.03429	0.7
81.07059	2.1
83.08630	1.9
84.59692	0.3
86.09711	52.1
91.05485	0.5
93.07040	0.7
95.08585	1.7
97.10177	1.0
98.98476	4.0
104.10748	99.1
105.07009	0.5
107.08607	0.7
109.10157	1.1
119.08644	0.3
121.10157	0.6
125.00011	30.5
135.11707	0.6
141.15562	0.3
163.01598	0.9
184.07349	100.0
192.06158	0.3
194.12521	0.4
225.78017	0.3
258.11111	1.3
267.16019	0.5
268.16229	0.4
340.29269	0.4
367.32050	1.0
435.03445	0.3
442.78384	0.3
458.37149	0.9
532.37427	8.9
550.38678	42.7
578.69745	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	550.3144
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01854	0.4
55.05503	0.4
56.35432	0.3
56.96551	0.6
57.03421	0.4
58.06601	0.5
60.07885	0.5
60.08168	7.0
61.02919	0.5
67.05492	0.9
69.03404	0.4
69.07055	0.7
70.06593	0.3
71.07378	2.9
79.05500	0.6
81.03430	0.4
81.07063	0.9
83.08626	0.5
85.02898	0.6
86.09711	29.6
91.05482	1.1
93.07029	0.5
93.50578	0.3
95.08598	0.4
97.02890	0.4
97.06516	0.8
98.98465	2.9
104.10748	4.9
105.07041	0.6
107.08585	0.7
109.10138	0.7
119.08574	0.4
123.04507	0.5
125.00014	20.8
133.10138	0.5
139.03900	0.8
163.03830	0.4
184.07353	100.0
247.08499	0.3
429.05557	0.4
449.36932	0.3
532.30255	1.5
550.24323	0.4
550.31592	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	550.3144
Annotation	Unknow
Peak:m/z	Relative Intensity
52.13870	0.3
53.03945	0.4
55.05499	0.7
56.05032	0.7
56.96561	0.8
57.07078	0.4
58.06581	0.4
60.08165	6.2
61.02930	0.5
67.05495	1.4
69.03437	0.4
69.07063	0.7
71.07380	2.8
71.52413	0.5
73.02917	0.3
76.39299	0.4
76.64639	0.3
79.05490	1.2
81.03409	0.8
81.07040	1.1
85.02901	0.6
86.09708	29.7
91.05483	1.1
93.07032	0.8
95.08597	0.8
97.02882	1.4
97.06528	1.8
98.06866	0.6
98.97559	0.5
98.97904	0.3
98.98457	2.6
104.10743	6.2
105.06999	0.6
107.05042	0.4
107.08602	0.8
118.42983	0.3
119.08571	0.8
121.06456	0.4
121.10152	0.4
123.04436	2.4
123.05186	0.4
124.04711	0.5
125.00005	19.6
127.03904	0.3
129.06982	0.3
131.04817	0.4
137.02339	0.8
139.03893	1.2
143.08563	0.5
145.73578	0.4
147.04407	0.9
148.04755	0.4
161.06003	0.4
163.03879	1.2
173.16064	0.3
184.07341	100.0
191.03398	3.8
192.03658	1.8
201.09177	0.4
258.10873	0.5
267.09012	0.8
284.22171	0.5
285.10117	0.6
302.07266	0.5
343.08337	0.6
344.08365	0.6
351.97879	0.4
429.16422	0.5
439.14011	0.4
452.24213	0.7
532.29999	1.3
550.31268	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	550.286
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03894	0.6
55.01846	0.4
55.05467	0.8
57.03376	1.8
57.71441	0.5
60.58993	0.4
61.02859	4.6
67.05434	1.6
68.04956	1.3
68.05291	0.4
68.90283	0.4
69.03427	5.0
69.05787	0.5
69.07030	0.7
69.76945	1.0
69.77348	1.4
70.06525	44.3
70.07121	1.5
71.04926	1.6
71.06058	0.4
72.08113	0.6
73.02847	3.0
76.90005	0.3
79.05424	1.6
81.03337	1.8
81.07055	2.0
83.04907	1.8
83.08564	0.6
84.08071	0.5
84.59392	0.3
84.62791	0.4
85.02910	12.9
86.03187	0.9
87.04418	1.1
90.93691	0.3
91.03959	2.5
91.05405	1.8
93.06969	1.6
93.54241	0.3
95.04977	2.1
95.08545	1.8
96.08121	0.8
96.08764	0.4
97.02885	6.0
98.03169	0.5
98.05999	0.8
98.09630	0.6
99.04382	0.8
101.02302	1.0
104.07053	1.0
105.01836	0.9
105.06968	1.8
106.07283	0.5
107.04875	0.7
107.08538	1.7
109.02793	1.4
109.06470	0.7
109.10095	0.9
111.04472	2.4
111.08021	0.5
111.16157	0.4
115.03896	0.5
119.08506	1.5
120.95946	0.4
121.06415	0.5
121.10078	1.7
123.04353	1.0
123.08069	2.3
124.07485	0.5
124.08320	1.3
125.05980	0.5
127.03928	2.7
128.04234	0.6
129.06985	0.7
131.08464	1.5
133.10115	0.9
135.11630	1.3
139.03900	0.5
140.06967	1.3
142.08621	2.7
145.04955	3.4
145.10080	1.2
146.05217	0.7
147.04434	0.5
147.11671	0.8
149.09628	0.9
151.07559	4.1
151.11136	0.7
152.05560	1.8
152.07886	2.2
153.12663	0.9
161.13185	1.5
162.13461	0.9
163.03896	0.8
163.05960	0.5
163.11189	3.0
164.11444	0.8
165.05417	0.7
173.09607	0.6
173.13211	0.5
181.12178	1.8
189.12730	0.6
190.13051	1.0
191.10587	1.1
191.14244	0.8
193.12169	0.5
193.81227	0.5
201.77538	0.4
207.06490	0.5
207.13811	3.5
208.14162	3.6
211.78851	0.4
219.01695	0.5
219.17378	0.5
220.17706	0.7
225.14854	0.5
226.15152	0.5
227.12772	0.9
228.12282	0.9
236.16466	4.0
254.17549	2.7
278.17474	1.3
296.18536	4.4
300.21762	0.7
314.19574	1.2
326.23138	0.5
328.17471	0.8
328.21185	11.5
357.10745	0.4
358.10510	1.3
370.22336	4.2
388.23312	100.0
389.23587	0.7
550.18359	2.9
550.28619	63.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	550.3141
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	1.0
56.05029	1.2
56.96568	0.4
57.03434	0.5
58.06598	1.1
60.08163	15.6
61.02952	0.3
67.05499	1.6
69.07069	1.1
69.51323	0.6
69.51724	1.8
71.07371	5.6
71.08630	1.0
72.08121	0.4
79.05492	1.5
81.03419	0.7
81.07050	1.2
83.08630	0.6
86.09706	47.4
88.07560	0.3
91.05494	1.0
93.07021	0.8
95.04971	0.6
95.08613	0.6
97.10180	0.3
98.21500	0.5
98.98460	3.8
104.10744	100.0
105.07073	0.8
107.08592	0.4
109.10210	0.4
119.08570	0.4
121.95954	0.3
125.00005	25.0
125.09540	0.4
150.90164	0.4
163.01572	0.6
163.03870	0.4
184.07341	85.1
184.50815	0.3
258.11029	0.6
275.20340	0.3
277.15802	0.4
293.21143	1.2
314.55695	0.4
315.82336	0.4
473.23187	0.4
532.30267	6.1
550.31415	45.1
568.05383	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	550.3141
Annotation	Unknow
Peak:m/z	Relative Intensity
50.06567	0.2
55.05513	0.4
55.50127	0.2
56.05023	0.5
58.06355	0.2
58.06628	0.5
60.08169	5.7
60.55935	0.2
67.05511	0.5
69.07071	0.2
70.00961	0.7
71.07378	2.6
71.08662	0.2
72.08152	0.3
73.63942	0.2
79.05495	0.4
81.03418	0.3
81.07043	0.4
83.04987	0.2
83.08621	0.2
85.02870	0.3
86.09711	29.2
91.05476	0.3
93.07051	0.3
97.02919	0.2
98.21505	0.2
98.98475	2.7
104.10754	5.1
107.33852	0.2
125.00015	18.8
163.03937	0.3
184.07350	100.0
349.30759	0.2
372.30087	0.2
531.50037	0.2
532.30481	1.1
550.31445	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	550.2861
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	0.5
53.11214	0.3
55.01844	0.6
55.05489	0.6
57.03400	1.2
61.02929	4.3
61.89629	0.4
67.05469	1.4
68.04999	0.6
69.03428	3.3
69.07053	0.7
69.62241	2.2
70.06593	49.3
71.04965	1.5
72.08160	0.4
73.02919	3.7
73.10729	0.3
79.05464	1.6
81.03362	1.0
81.07018	1.7
81.45333	0.4
83.04932	1.3
84.08110	1.3
85.02431	0.5
85.02898	5.2
86.06030	1.3
86.09661	1.3
87.04470	2.7
91.03967	2.6
91.05450	1.6
93.07020	1.9
95.04935	1.3
95.08535	0.9
96.08102	1.4
97.02889	4.7
98.06052	0.5
99.04434	0.9
101.02339	0.6
104.07098	4.6
105.07018	1.1
107.04934	0.6
107.08569	1.4
109.10131	0.7
111.04441	2.1
111.08063	0.8
115.03917	0.5
119.04881	0.8
119.08568	0.6
121.10090	1.8
123.04380	0.9
127.03852	0.9
129.10179	0.4
131.08554	1.1
133.10077	0.6
135.11673	1.5
136.07574	0.4
137.05956	1.3
138.06363	0.6
139.11205	0.5
140.07068	0.8
142.08636	3.3
145.02902	0.5
145.04892	0.4
145.10106	1.3
147.04422	1.0
147.11728	0.6
149.09579	0.8
151.07448	0.5
151.11188	0.5
153.12764	1.0
157.03740	0.4
161.05937	0.4
163.03856	0.6
163.11200	2.0
173.09604	0.5
175.03893	1.6
177.05423	1.0
181.12206	1.5
191.10628	1.1
207.06535	2.7
207.13763	1.0
208.14023	0.9
214.33142	0.4
218.15279	0.4
225.14357	0.5
225.25256	0.4
227.12769	1.5
235.08348	0.7
236.08681	0.6
236.16434	3.1
253.09229	0.4
254.09637	0.4
254.17494	8.1
256.86865	0.4
296.18588	6.3
297.03925	0.7
300.21414	0.5
310.20239	0.5
311.05737	0.4
314.19650	3.6
328.21170	10.6
358.10452	1.3
370.22226	11.0
388.23288	100.0
452.13177	0.7
532.14838	0.7
532.27484	2.0
550.28552	58.1
551.29187	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	550.1672
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04965	0.3
50.59245	0.3
58.58120	0.3
65.03966	0.4
67.05540	0.3
69.03432	0.5
69.32365	2.3
70.06617	1.2
71.06114	2.4
72.08147	0.3
74.98444	0.3
81.67547	0.3
83.05004	0.8
83.06149	0.4
85.02942	0.7
89.03955	0.4
91.05510	0.5
97.02924	0.3
102.04700	0.4
103.05471	0.6
105.07073	0.4
108.04485	1.4
109.84053	0.3
110.24209	0.3
111.04462	0.7
111.05599	1.6
115.05486	0.9
115.08637	0.3
117.03399	0.5
117.07057	0.3
119.04960	0.4
120.83577	0.3
123.04474	1.0
127.05060	0.4
130.05019	0.3
131.04964	1.5
133.06534	0.4
135.04483	0.7
139.03976	0.5
139.05014	7.2
142.06242	0.6
143.00227	0.3
143.04939	1.1
144.08116	0.5
145.02896	0.8
147.04407	14.0
148.05237	0.3
149.05997	0.4
152.03429	7.2
156.07684	13.9
160.07632	0.4
161.05937	1.6
163.03911	2.7
164.78973	0.3
170.05737	1.6
171.06378	4.8
172.07780	0.3
174.03148	2.2
175.03888	4.3
177.05527	0.6
184.07169	4.4
185.07898	2.3
186.08733	8.2
186.10307	0.6
187.03970	0.8
188.07097	1.1
191.03400	0.4
196.05367	0.7
196.07175	15.2
198.05496	0.4
203.03423	0.5
206.08240	0.8
214.05023	0.5
215.03304	0.4
216.06566	3.4
217.87073	0.3
218.80547	0.3
218.82506	0.3
227.83633	0.3
234.07646	0.5
238.08385	0.3
242.04356	0.3
244.06036	11.3
262.07101	22.7
266.07706	0.4
273.08722	0.7
299.06561	0.4
301.08035	0.6
329.07571	0.6
332.12387	4.2
346.25235	0.3
358.10315	100.0
359.10541	0.8
376.11322	1.9
378.04697	0.3
406.31149	0.3
457.14572	0.3
550.16565	9.9
550.29840	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	550.1671
Annotation	Unknow
Peak:m/z	Relative Intensity
54.90540	0.3
60.93168	0.3
62.11276	0.3
62.11622	0.3
64.99325	0.3
65.03890	0.3
67.05494	0.5
69.03402	0.4
70.90694	0.5
71.06120	2.4
74.80985	0.3
83.04935	1.2
83.06066	0.5
84.04470	0.5
91.04059	0.2
91.05430	0.7
93.03363	0.3
98.97527	0.3
103.05466	1.4
108.04433	1.2
111.04400	0.9
111.05574	2.0
115.05414	0.4
118.77870	0.3
123.04387	0.8
127.05019	0.5
130.04138	0.4
131.04918	1.5
132.08081	0.3
139.05026	7.9
142.06190	0.5
143.04871	1.1
145.02858	0.3
147.04410	12.1
148.05141	0.4
149.05942	1.1
152.03427	9.8
156.07697	14.7
161.05956	0.8
163.03810	0.4
168.07690	0.3
170.05608	2.2
171.06389	5.0
172.07608	0.3
174.03143	1.6
175.03899	4.0
175.06223	0.3
177.05446	0.7
184.07162	4.6
185.07913	2.5
186.08749	11.0
187.03854	0.7
188.07101	1.6
191.03307	0.3
192.04094	0.4
196.07179	14.6
198.05472	0.6
200.07033	0.4
202.04910	0.3
204.06523	0.4
206.08122	0.6
214.04904	0.4
216.06552	2.5
218.04845	0.3
242.04247	0.4
244.06064	13.7
259.02579	0.3
260.03021	0.4
262.07114	17.2
266.07809	0.4
271.37350	0.3
273.08658	0.6
289.08163	0.3
299.06546	0.4
301.08380	0.4
326.08759	0.4
332.12427	5.3
351.36600	0.3
358.10336	100.0
359.10583	0.7
376.11380	3.4
402.61041	0.3
441.10739	0.4
532.15790	0.8
550.16705	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	549.2331
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	0.4
56.96568	0.3
57.03419	0.5
63.02381	0.4
64.27843	0.3
67.05505	0.5
69.03447	0.8
70.83811	1.0
72.08150	0.7
79.05479	1.3
81.03419	2.4
81.07041	0.7
85.02904	1.7
87.08098	0.6
89.03925	3.6
91.05470	1.1
95.04961	0.7
95.08611	0.4
97.02898	1.0
97.06493	0.7
105.07027	0.9
107.04986	1.7
107.08566	1.6
109.02894	0.7
109.10146	0.7
117.03381	5.6
119.08596	0.5
121.02879	0.5
121.69186	0.3
123.04478	0.9
123.08082	0.8
127.03994	0.4
130.99446	0.3
133.10139	0.6
135.03395	0.8
135.04419	13.4
135.11725	0.5
137.05914	0.4
137.09639	1.7
139.03914	0.8
145.02852	10.6
161.06000	0.5
163.03905	100.0
164.04306	0.4
167.07074	0.3
172.05513	0.3
177.05492	1.0
181.04953	4.2
188.73569	0.3
189.12688	0.4
189.35957	0.4
191.03342	1.1
192.47881	0.3
207.13908	0.4
271.06052	0.7
303.04922	1.0
307.08115	3.1
325.09177	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	549.2556
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	3.7
55.01863	4.5
55.05510	1.7
56.21051	0.8
57.03441	9.0
57.04577	0.9
57.07065	2.5
61.02896	11.4
67.05506	4.9
69.03431	29.2
69.07066	1.4
69.17468	10.3
70.06596	1.7
71.04979	3.7
71.06120	1.7
72.08169	1.1
73.02900	3.6
79.05499	3.8
79.25437	1.1
81.03420	12.7
81.07057	6.0
83.01324	1.0
83.04982	2.0
84.08150	1.0
85.02905	100.0
85.06546	1.4
87.04470	5.1
91.03954	5.8
91.05484	3.3
93.07040	3.9
94.16652	1.0
95.04951	2.8
95.08614	6.1
97.02293	2.2
97.02894	36.2
97.06539	4.9
99.04455	6.6
105.07024	7.5
107.04930	2.1
107.08595	4.8
108.05738	1.4
109.02883	11.1
109.06499	5.1
109.10157	2.3
111.04379	1.3
111.08116	1.3
119.08548	4.7
121.06501	2.7
121.10137	5.3
122.07323	1.2
123.04453	1.3
123.08068	48.9
123.11783	1.1
125.05991	3.7
127.03916	29.4
131.08580	3.0
133.06418	3.2
133.10123	4.5
135.04424	1.1
135.08026	1.9
135.11740	2.1
137.05884	1.0
142.06073	1.3
143.08562	1.1
145.04959	39.2
145.10124	2.8
147.04395	1.5
147.07968	1.5
147.11697	2.6
149.09656	2.7
151.07541	76.8
153.09125	5.1
161.13277	2.7
163.03867	1.3
163.05942	7.3
163.11189	21.3
165.12677	1.1
171.06535	2.4
171.11674	1.4
173.13290	1.9
174.10294	1.8
181.07208	1.8
181.12259	9.4
182.07672	1.2
183.08794	3.1
184.09120	1.4
189.07559	3.6
189.12720	19.9
191.03458	1.4
191.14339	4.7
203.05359	1.7
207.13805	75.1
209.15338	8.3
223.13345	1.6
225.14861	16.6
259.07065	1.4
270.19272	1.5
299.08618	1.2
300.08664	1.3
355.10202	2.2
356.10773	2.7
356.22150	1.3
357.10727	2.5
357.22382	1.6
369.19116	2.9
387.20160	12.2
505.24170	5.7
517.14764	1.4
531.24097	4.1
531.31927	1.7
549.17053	23.0
549.25122	43.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.1961
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01858	0.9
55.05473	1.9
57.03416	1.0
57.07078	16.0
59.50922	0.4
60.08144	0.6
65.03925	0.8
67.05509	10.4
68.99813	0.5
69.03394	0.9
69.07029	1.3
70.52842	0.4
73.02888	0.6
79.01860	0.5
79.05495	3.6
81.03375	1.7
81.07063	3.3
83.04993	0.6
83.08627	4.3
85.02917	2.7
85.10181	0.7
86.09698	3.2
87.10007	0.6
91.05463	1.1
93.03384	0.9
93.07012	1.2
95.04945	0.9
95.08588	0.6
97.02885	0.8
97.05999	0.5
97.06526	4.7
103.03906	1.4
107.04918	1.7
107.08555	0.8
109.02841	1.2
109.10162	27.3
109.66830	0.4
110.10478	0.5
115.05358	0.5
118.61693	0.4
119.04897	1.2
119.08556	0.5
121.02867	0.8
123.03596	0.6
123.04436	9.5
124.99979	2.3
127.03868	0.5
127.11191	4.6
131.04892	0.5
131.08524	0.6
135.04410	2.9
137.02333	3.5
139.03912	0.5
143.04922	0.7
143.08501	0.6
145.02856	0.9
147.04399	3.5
149.02351	0.5
153.01799	1.1
161.05948	1.1
163.03900	4.1
165.01945	0.6
165.05440	1.7
167.03468	0.8
171.04474	0.7
173.05927	0.9
175.03918	0.7
179.03410	1.0
184.07362	9.0
184.08958	0.7
185.07635	2.1
187.03876	1.9
189.05460	1.2
189.08987	0.9
191.03401	24.6
201.09044	0.6
203.03343	1.8
205.04883	1.0
207.06499	1.1
211.03917	0.5
213.05486	0.8
215.03436	1.7
215.06955	1.3
217.04974	2.7
219.02899	0.6
219.10120	2.1
221.04416	0.8
225.05594	0.8
225.08975	0.6
228.04178	1.9
229.04942	1.8
229.07324	1.0
229.14362	1.4
231.02872	1.3
233.04428	5.1
239.03352	0.9
241.05011	0.8
241.08585	1.0
243.02850	0.8
243.80666	0.5
245.04512	3.6
246.05261	3.4
247.08499	0.5
249.03824	1.1
253.04999	0.8
256.03662	3.4
257.04407	5.4
259.02225	0.7
259.06021	1.1
259.09738	0.5
260.03229	2.6
261.03946	4.7
264.23389	0.4
267.02859	0.6
269.04532	0.8
269.10742	0.6
271.05911	1.5
273.03940	50.4
274.04730	15.8
274.07095	0.4
275.05527	1.1
281.04431	1.2
283.99350	0.5
285.03949	26.9
287.05466	5.7
295.06082	1.5
297.04004	2.4
298.04669	1.8
299.05423	4.0
301.03470	2.5
301.07059	3.0
303.04993	100.0
309.03931	0.5
311.05496	0.6
312.02490	0.6
313.03592	0.9
313.07013	5.4
315.04932	2.0
317.06534	1.3
323.05527	2.0
325.03299	0.6
325.07001	0.7
327.05008	27.1
333.06149	1.7
339.04953	1.2
341.06595	2.7
343.08127	9.8
345.05872	1.1
351.05026	8.0
357.06128	5.1
357.16489	0.4
369.06076	13.5
373.49301	0.5
379.11951	2.5
387.07144	13.3
391.11682	1.8
397.12973	1.0
401.15179	0.7
405.08179	33.2
411.12927	0.5
423.09354	4.1
489.15186	0.8
495.16330	0.7
513.17175	3.1
518.85913	0.5
531.17969	6.3
546.51819	0.6
548.49438	0.5
549.19672	38.7
549.27441	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	548.3711
Annotation	LysoPC(20:2)
Peak:m/z	Relative Intensity
55.05507	0.9
56.05028	1.4
58.06596	1.0
59.07398	0.4
60.08166	17.3
67.05508	3.7
69.07063	1.4
71.04968	0.4
71.07381	6.5
71.37825	0.8
79.05482	1.4
81.03387	0.5
81.07056	3.3
83.08626	0.8
83.50464	0.4
86.09710	48.5
89.16641	0.4
91.05443	0.6
93.07056	1.5
93.93349	0.5
95.08625	2.5
97.10188	0.4
98.98478	3.7
104.10747	100.0
105.04502	0.5
105.06995	0.7
107.08620	0.4
109.10159	1.1
121.10165	0.8
125.00008	26.8
135.11678	0.6
147.11719	0.5
162.38853	0.4
163.01628	0.5
178.53905	0.4
184.07347	92.3
258.11032	1.3
365.30652	0.5
530.35999	8.7
548.37177	41.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.3633
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	4.9
55.01860	6.0
55.05514	15.3
57.03436	10.5
57.07064	3.1
59.59167	1.5
65.03930	2.3
67.05505	62.4
69.03421	3.7
69.07060	18.5
71.04984	6.5
79.05489	36.3
79.89844	1.8
81.03400	3.3
81.07055	61.8
83.04967	7.1
83.08600	3.4
85.06536	6.1
91.05484	64.6
93.07041	46.7
95.04946	6.8
95.08609	19.3
97.06515	6.2
97.10152	2.4
99.04452	2.4
99.08088	3.7
105.07029	69.7
107.04960	2.1
107.08593	48.2
109.06512	8.2
109.10154	64.4
109.92549	1.6
111.08056	1.7
113.05994	4.0
115.05469	2.4
115.07546	1.9
117.07017	10.6
119.08582	36.7
121.10130	14.4
123.08053	2.3
123.11677	9.2
125.09617	2.9
127.07578	2.4
128.06223	2.5
129.06967	6.7
130.07718	1.8
131.08565	16.2
133.10132	100.0
135.08044	2.0
135.11703	12.2
137.09625	2.4
143.08546	7.6
145.10120	15.7
147.11708	26.0
149.13254	7.8
151.11182	44.9
157.10100	6.2
159.11711	10.9
161.13248	26.6
163.11168	1.9
169.12228	9.3
171.11629	8.8
173.13258	7.7
175.14828	14.0
179.10730	2.8
185.13251	6.8
199.14824	3.4
213.16290	2.7
215.12764	6.6
231.21016	4.6
241.19516	28.4
253.14351	77.8
257.18985	1.9
259.20572	53.1
271.15408	53.5
277.21582	6.7
315.23203	5.1
321.87793	1.7
333.24255	35.4
351.25220	4.1
362.50903	1.7
437.30136	3.7
455.31503	2.7
476.90564	1.8
505.50677	1.9
511.34274	10.0
529.35309	26.7
547.36444	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	547.1673
Annotation	Unknow
Peak:m/z	Relative Intensity
51.18115	0.4
55.05484	0.6
56.05008	0.5
57.04537	0.9
65.03909	1.0
67.05473	0.8
69.03442	0.7
69.04550	5.0
70.76857	0.8
70.77248	0.7
80.65546	0.3
81.72408	0.3
83.04986	2.4
83.06103	3.1
85.02885	0.9
85.16605	0.4
93.03391	0.4
93.06981	0.5
95.04940	0.6
97.02908	0.5
97.03988	0.3
100.75939	0.3
107.04942	0.5
108.05571	0.5
110.07123	0.5
111.04462	1.7
111.05511	0.7
123.04368	1.0
126.06650	0.4
128.04927	0.6
131.04851	0.5
131.96693	1.1
135.04384	0.4
138.05344	0.4
139.03868	1.0
142.06096	1.3
147.03410	0.5
147.04417	6.5
155.05956	0.5
156.04451	1.9
160.05006	0.9
163.03906	0.9
174.05508	8.4
175.06310	0.5
181.07149	1.1
183.05495	0.8
186.05473	1.2
191.03490	0.5
192.06581	0.4
193.07179	1.6
195.05437	0.6
196.08722	1.8
197.07118	1.3
199.07501	0.6
201.06644	2.9
202.05028	0.5
203.03409	0.6
207.08685	0.4
211.04973	0.4
214.07376	1.8
214.09734	2.3
215.08345	0.5
217.07187	0.9
218.07959	0.5
223.04955	0.4
224.05977	0.6
224.08186	6.5
225.06548	0.9
227.06866	0.6
229.06013	0.6
236.08325	0.4
237.05327	1.3
241.06093	2.0
241.08363	0.8
242.09236	21.4
252.07689	6.6
253.06013	1.9
254.09242	1.1
255.06375	5.1
265.11072	0.4
267.08932	0.5
268.09552	0.8
270.08734	22.2
271.07104	0.6
271.11841	1.4
281.10315	5.6
282.08502	0.4
283.05811	0.6
283.11752	1.8
284.08881	0.7
298.08206	2.8
299.11398	8.1
309.09818	14.0
310.08194	0.8
312.08545	1.5
327.10867	100.0
328.10965	0.6
329.12262	0.4
342.58908	0.4
355.10361	87.0
373.11441	14.0
395.05688	1.0
447.22305	0.3
501.16022	4.2
529.15527	2.0
547.16718	47.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.1674
Annotation	Unknow
Peak:m/z	Relative Intensity
57.04557	7.4
59.58817	0.5
67.05516	1.1
69.03432	0.7
70.39301	1.2
70.39692	1.1
71.06121	7.6
75.49734	0.5
83.04982	1.6
83.06097	0.9
84.04521	1.0
85.02887	1.6
96.11410	0.5
97.02885	0.8
98.07217	0.7
98.97587	0.8
111.04438	1.3
111.05589	0.8
124.05077	1.1
126.06697	0.7
127.05047	6.5
130.05011	0.6
131.96698	0.7
135.04448	2.2
139.03889	0.6
142.06128	5.6
145.02829	0.9
147.04424	4.5
147.07690	1.3
155.96033	0.5
156.07712	7.1
161.05943	0.6
162.05484	1.2
163.03882	4.3
168.07693	2.2
172.03931	1.4
173.02370	0.9
174.03117	1.0
174.05475	2.7
175.03909	8.7
176.07109	0.6
181.07211	11.2
182.07974	3.4
183.08780	23.6
183.10408	1.2
185.07167	0.8
185.10349	3.5
186.05476	1.4
187.05075	1.2
188.07077	1.1
189.01842	1.7
190.05103	1.3
191.03395	10.6
201.06641	3.1
202.04939	1.9
203.08168	1.9
204.06656	0.7
206.04515	1.9
207.02907	1.2
213.06590	2.0
214.04945	0.7
215.08203	0.7
217.06079	0.7
218.04446	5.2
219.01617	0.8
219.07622	1.4
221.45341	0.6
228.02965	2.3
229.06126	5.1
231.07642	2.7
235.08684	1.5
241.06116	2.3
242.09171	3.6
243.07605	1.0
244.07024	0.7
246.04053	0.9
247.07228	1.8
255.06480	0.9
257.05704	2.5
258.08774	0.8
259.07138	10.7
270.08755	6.9
271.07196	1.3
272.10468	1.1
280.07162	0.7
285.05078	1.6
286.08231	4.2
288.09799	4.6
298.08203	7.3
299.06726	1.1
303.06183	0.9
307.63959	0.6
313.09491	2.9
314.07529	4.1
327.11169	6.5
329.12402	4.7
355.10361	28.7
373.11450	8.5
435.59125	0.6
501.16010	4.5
504.19916	0.7
547.16705	100.0
548.17493	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.1672
Annotation	Unknow
Peak:m/z	Relative Intensity
54.88223	0.6
56.25564	0.6
57.04528	0.8
65.03930	1.1
67.05470	1.3
69.03388	0.8
69.04555	4.8
70.83418	1.4
71.80502	0.6
83.04994	4.0
83.06077	2.8
84.04476	0.6
97.03986	0.7
111.04399	0.9
111.05498	0.6
139.03900	0.9
142.06052	1.0
147.04402	4.3
156.04375	1.0
160.05003	0.8
174.05493	8.5
178.06157	1.0
183.05450	1.0
186.05556	1.1
192.06613	0.8
193.07179	1.9
195.08716	0.8
196.08560	1.1
198.10316	0.9
201.06569	2.6
210.04274	0.6
213.06572	0.7
214.07542	1.3
214.09714	2.0
215.08002	0.8
217.07219	1.0
224.08217	5.4
225.06599	1.2
233.01833	0.7
241.06006	1.6
242.09251	19.6
252.07689	5.5
253.05957	1.7
255.06367	5.2
268.09537	0.7
270.08740	22.0
270.51053	0.7
271.11859	1.2
281.10336	6.1
283.11914	1.1
284.09009	0.8
298.08197	2.8
299.11392	8.0
309.09842	14.0
312.08609	1.8
327.10880	100.0
348.73981	0.7
355.10358	79.0
373.11435	13.5
501.16064	5.3
529.15845	3.4
547.16748	73.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.1674
Annotation	Unknow
Peak:m/z	Relative Intensity
57.04551	1.2
65.03932	1.1
67.05492	1.7
67.66183	0.5
69.04546	4.3
70.26234	1.9
70.26613	1.1
77.73992	0.6
83.04982	3.6
83.06078	2.6
84.04486	1.1
93.07006	0.6
95.04955	1.2
97.03989	1.0
98.21427	1.0
110.07163	1.6
111.04424	1.8
111.05560	0.9
117.03347	1.2
130.04974	1.0
138.06642	7.1
139.03879	1.2
142.06227	0.7
145.02841	1.8
147.04396	5.8
147.07639	1.4
147.11281	0.6
156.04419	1.5
173.07153	0.6
173.30322	0.6
174.05516	9.0
175.06245	0.7
177.05502	2.3
181.07179	0.8
183.05553	0.8
186.05498	1.6
186.10353	0.8
193.07249	1.9
195.07074	1.3
195.08794	23.1
196.08717	2.2
197.07253	0.6
201.06573	3.5
214.07417	1.9
214.09750	2.6
218.07968	0.8
223.05173	0.9
224.08119	5.5
225.06659	1.0
225.96887	0.7
229.06046	1.1
241.06123	1.7
242.09270	21.0
252.07654	6.1
253.06088	1.9
255.06378	4.4
270.08746	21.7
271.11865	1.5
281.10287	5.6
283.11945	1.4
298.08325	2.2
299.11356	7.2
309.09811	12.8
312.08554	2.2
327.10883	100.0
355.10367	77.0
373.11487	11.7
386.48245	0.7
501.16220	5.1
529.07648	0.8
529.15625	18.1
547.16675	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	547.1677
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	0.4
56.05032	0.7
57.04293	0.6
57.04560	8.0
65.03947	0.9
67.05501	0.7
67.32207	0.4
69.03430	0.7
69.04563	0.4
69.90021	0.4
70.06596	1.2
70.99583	0.3
71.06117	7.8
71.52574	0.7
72.08158	0.3
76.03249	0.4
81.03436	0.4
81.97153	0.4
83.04975	1.9
83.06098	1.3
84.04519	2.6
85.02897	1.2
89.03926	0.7
91.05472	0.6
93.03407	0.6
93.07065	0.5
95.04974	0.4
97.02883	2.5
98.07182	1.4
111.04457	1.4
111.05599	0.7
111.25591	0.3
112.05099	0.4
113.05885	1.5
117.03388	1.1
123.04413	1.8
124.05101	1.5
126.06644	1.1
127.05041	8.5
129.03389	0.4
130.05008	4.5
131.04965	0.5
131.21971	0.4
131.96712	6.3
135.04414	4.2
139.03915	3.9
139.51697	0.3
142.06126	6.6
145.02838	1.4
147.04428	6.1
147.07645	6.4
149.05952	0.6
156.07693	10.3
156.08940	0.7
158.06093	0.4
160.05136	0.5
161.05934	0.6
162.05518	1.5
163.03928	7.2
167.03334	0.4
168.07660	2.3
170.05775	0.5
170.08052	0.7
172.03995	1.3
173.02347	0.9
174.03149	0.7
174.05521	2.0
175.03914	9.7
176.07034	0.8
177.05515	1.5
181.07196	11.0
182.08005	4.6
183.08778	25.9
184.03874	0.4
185.07140	1.5
185.10362	3.6
186.05534	1.6
187.05051	0.7
188.03539	1.0
188.07077	0.9
189.01883	0.7
190.04990	1.9
191.03395	12.3
191.05064	0.7
193.05031	0.8
195.08768	0.8
200.03658	0.4
201.06599	3.8
202.04910	2.3
203.03447	0.7
203.08234	1.6
204.06583	0.4
206.04471	2.0
207.02779	1.8
213.06737	2.4
214.04990	0.5
215.08173	1.0
218.04494	6.2
219.07776	1.7
228.02888	3.6
229.06145	4.0
230.04503	0.5
231.07745	2.7
235.08801	0.4
240.05388	0.6
241.06071	3.5
242.09225	3.3
243.07668	0.7
244.07239	0.4
245.02699	1.3
245.05260	0.6
246.04010	0.5
247.07236	2.1
255.06512	1.1
256.04776	0.4
257.05627	3.4
258.08801	1.3
259.07162	11.1
269.05521	0.4
269.08099	0.6
270.08759	7.0
271.07193	1.2
272.06802	0.8
272.10373	1.2
273.08539	0.5
274.05811	0.8
275.06503	0.4
277.07141	0.6
280.07123	0.4
283.05798	0.8
285.05023	2.4
286.08267	5.0
288.09851	3.9
297.07465	1.0
298.08209	8.5
299.06509	0.8
299.11441	1.3
300.09790	0.7
302.40051	0.4
303.06241	2.2
309.07217	0.4
312.08881	0.5
313.09308	3.4
314.07397	5.6
314.10800	0.7
316.09558	0.4
327.11081	8.7
329.12421	5.1
332.08875	0.7
355.10361	33.5
363.07285	0.9
373.11438	9.3
392.10162	0.5
395.05789	4.9
501.16272	3.5
529.08923	0.8
529.16022	0.6
547.16742	100.0
548.16931	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	546.3557
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05487	0.4
56.05034	1.8
58.06578	1.6
60.08167	17.7
67.05509	1.9
69.03465	0.3
69.07075	3.6
69.33575	2.2
70.06599	0.5
71.07378	6.3
79.05489	1.2
81.07059	5.3
86.09708	49.8
91.05484	0.8
93.07056	1.7
95.08617	2.2
98.20754	0.4
98.97845	0.5
98.98478	4.2
100.89962	0.3
104.10747	100.0
105.07031	1.0
107.08613	1.1
109.10162	1.2
117.07041	0.3
121.10164	1.1
123.11732	0.7
125.00009	28.2
135.11696	0.6
137.13310	0.3
143.01094	0.4
147.11690	0.4
149.13252	0.5
159.11676	0.3
177.16388	0.3
181.02696	0.4
184.07343	99.5
191.10365	0.3
199.03622	0.4
258.10986	2.2
261.22293	0.5
353.26846	0.4
393.45944	0.3
528.34497	6.3
529.50781	0.3
546.35565	45.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.1605
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.8
55.01863	2.2
55.05498	2.3
57.03432	1.2
59.45991	0.7
62.66720	0.7
65.03931	0.8
66.11774	0.8
67.05502	4.8
69.03409	2.5
69.07050	2.2
70.06591	1.0
71.52608	0.7
71.52985	1.0
78.26159	0.8
79.05494	7.0
79.37282	0.6
81.03408	2.0
81.07046	3.9
83.04964	2.8
83.08630	1.4
85.02893	1.8
86.03168	0.7
88.17919	0.8
91.05464	3.1
93.07052	1.5
95.04956	4.2
95.08588	2.2
97.02887	1.6
97.06522	7.7
97.10130	1.2
98.97547	0.8
103.05453	1.8
105.03343	1.3
105.07056	3.6
107.04918	1.4
107.08582	1.7
109.02851	0.9
109.06524	1.0
109.10130	3.1
111.04489	1.0
111.08089	0.8
119.04976	3.6
119.08624	0.9
123.04433	16.5
123.08071	4.1
125.02298	1.5
127.03926	0.8
129.06931	1.1
131.04858	1.0
131.08549	1.1
133.06499	63.9
133.07568	3.5
133.10103	1.4
135.04359	2.0
135.08038	0.8
135.11647	1.1
137.02260	1.0
139.03903	2.8
141.06969	1.3
143.08499	1.3
145.02829	1.0
145.10181	0.9
147.04433	6.6
147.11639	0.9
151.03816	1.0
153.06995	0.7
159.08073	1.6
161.05994	1.8
163.03908	5.9
165.05547	1.7
165.06895	1.0
166.85109	0.8
169.06471	1.0
171.08069	0.8
173.05962	1.8
173.09550	0.7
175.03760	0.8
177.05519	1.7
179.08568	0.9
179.10675	0.8
181.06502	1.1
187.03850	0.8
187.07547	1.7
189.09071	1.0
191.03362	5.0
191.07057	1.4
195.08110	1.3
196.08974	0.7
197.06001	2.0
197.09708	1.4
199.03914	2.5
199.07541	1.0
201.05464	0.9
201.09126	1.2
209.09546	1.3
211.07521	3.1
213.09103	1.7
215.03346	1.1
215.06966	1.1
217.04974	1.6
223.07567	0.9
225.05383	2.0
225.09126	2.1
227.10652	2.4
229.00235	0.7
235.07726	1.5
235.11189	1.0
239.07005	2.3
241.08604	1.2
247.07535	1.4
249.05569	1.1
249.09073	1.6
250.06076	1.2
251.06921	0.9
251.10721	1.0
253.08533	2.6
259.09698	1.2
263.07043	1.3
264.07895	1.7
266.05762	1.2
267.06519	1.2
271.13150	1.1
275.06995	2.7
275.10654	1.9
277.04990	1.1
278.05695	1.6
279.06589	2.1
279.10144	2.8
281.04813	1.5
281.08081	4.3
281.24701	1.1
284.07004	1.3
289.08591	2.1
291.06580	3.8
291.10147	2.4
291.13336	0.9
292.07239	3.1
293.04492	1.2
293.08200	1.7
293.11798	2.3
294.05228	3.8
295.05991	1.2
295.09555	1.0
299.05630	1.5
299.09155	3.2
301.14447	1.2
303.10101	8.0
305.04559	0.8
305.11789	1.4
306.05295	1.3
307.06049	3.6
307.09668	6.9
308.06671	2.5
309.07397	1.2
311.12979	3.5
315.09961	1.0
317.08075	2.4
319.06253	1.2
319.09717	2.3
319.13068	1.3
320.06766	15.2
321.07541	2.3
321.11215	5.1
323.09109	8.6
327.15869	1.3
331.09589	6.4
333.11240	2.2
335.09125	100.0
336.09814	6.0
337.10776	1.3
337.14319	8.0
347.09106	3.2
348.06473	1.1
349.10690	9.4
351.12289	13.2
355.15320	8.2
359.09171	3.8
361.10782	1.4
365.10178	4.4
373.16559	1.6
377.10208	23.5
395.11270	30.7
407.11237	3.0
469.13211	0.9
473.15601	1.0
487.13882	31.7
503.17551	0.9
529.14587	1.6
547.15234	5.6
547.29034	1.5
547.35828	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	546.3276
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	3.1
55.05508	4.9
56.28767	2.4
57.03435	8.9
61.02919	4.5
67.05506	15.1
69.03413	7.1
69.07066	7.9
69.30161	8.0
69.30587	11.0
71.04967	2.3
79.05497	12.8
81.03397	7.5
81.07059	16.4
83.04989	5.7
83.08606	5.4
85.02898	8.1
91.05471	13.1
93.07024	15.4
95.04964	7.0
95.08597	8.1
96.04491	5.3
97.02864	5.2
97.06522	4.8
98.21542	3.5
98.97578	2.2
103.04004	2.5
105.07041	14.2
107.04923	5.0
107.08621	10.4
109.06527	4.1
109.10139	6.2
114.19266	2.2
115.03931	3.7
117.07020	3.0
119.08563	8.4
121.06470	6.8
121.10151	7.7
123.08044	2.9
131.08572	8.3
133.10144	10.4
135.08073	3.4
135.11688	4.6
136.07578	2.6
143.08534	2.7
145.06409	2.2
145.10124	9.2
147.11696	8.4
149.09621	4.1
157.10156	2.6
159.11754	3.6
161.13309	2.0
163.11252	3.5
168.98959	2.0
171.11777	2.5
173.13283	3.8
175.11179	4.5
183.11606	2.3
193.12184	5.0
197.13188	2.7
205.90253	2.2
217.15839	3.2
219.29909	2.3
235.16818	2.4
239.17918	3.4
257.18982	7.4
261.70236	2.1
267.15988	3.2
275.20093	38.1
285.16971	2.6
293.21173	4.9
297.03918	2.5
298.04321	3.3
349.23737	100.0
366.23395	5.1
367.24823	31.0
411.81836	2.2
493.27628	6.2
511.28836	5.1
546.35150	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	546.3486
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	0.5
57.03438	5.4
59.05001	100.0
61.02923	0.5
61.32541	0.3
69.03432	1.4
69.43234	2.6
71.04992	0.4
71.42490	0.3
77.47372	0.3
81.03437	0.5
81.07068	0.6
85.02906	3.6
97.02908	1.6
97.06546	0.4
99.08108	0.9
101.09669	1.1
115.07593	1.6
117.09132	33.3
127.03954	0.7
135.10155	0.7
145.05101	0.4
147.70027	0.3
152.09232	0.4
155.58299	0.4
163.03856	0.7
175.13304	17.7
193.14430	1.5
201.03714	0.4
233.17439	5.6
236.01945	0.4
251.18556	2.3
291.21680	0.8
309.22830	1.0
367.26895	28.2
382.25424	0.4
506.15152	0.5
546.26239	0.8
546.33838	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.3841
Annotation	Unknow
Peak:m/z	Relative Intensity
52.70710	0.9
53.03929	3.5
55.01868	2.9
55.05515	22.5
57.03440	6.7
57.07077	1.8
59.04979	1.7
63.60092	1.1
65.03929	2.8
67.05508	49.2
69.03427	3.2
69.07079	11.3
69.35712	4.2
69.36134	3.7
71.04990	3.1
79.05497	30.0
81.03424	22.6
81.07064	44.3
83.04967	4.5
83.08624	16.2
85.06534	2.3
90.14836	0.9
91.05489	26.7
93.07051	27.9
95.04977	16.2
95.08617	28.9
97.06533	3.7
97.10174	16.0
105.07038	23.1
107.04955	4.3
107.08604	22.1
109.06522	5.1
109.10167	22.0
111.08063	4.2
117.06996	9.9
119.04977	1.0
119.08588	18.1
121.06493	6.6
121.10166	12.0
123.08066	4.2
123.11730	6.9
125.09628	11.6
128.06181	1.2
129.07001	5.0
130.00977	1.1
131.08582	18.8
133.06512	2.8
133.10150	16.8
135.08051	4.7
135.11688	8.7
137.09615	2.8
141.06990	1.3
142.07790	1.9
143.08595	6.8
145.06499	2.2
145.10138	14.2
147.08067	2.2
147.11705	9.5
149.09621	3.2
149.13271	4.3
151.11206	2.0
153.06979	1.0
153.09174	1.3
153.12782	1.1
155.08582	1.8
157.10107	8.4
159.08015	1.3
159.11671	10.3
161.09671	1.8
161.13289	5.4
163.11201	2.2
163.14799	2.3
165.12727	1.0
169.10170	3.6
171.11650	4.8
173.13235	7.0
174.82245	1.1
175.11266	3.3
175.14835	3.3
181.10149	1.6
183.11723	1.5
185.13289	4.2
187.14839	4.0
189.11232	9.0
193.12285	7.4
199.14856	3.0
201.12729	1.4
201.16487	1.5
209.13344	1.3
211.15016	1.3
213.16394	1.2
215.14261	1.8
223.14912	1.5
227.12769	13.9
233.15233	1.6
243.21225	4.0
247.16966	3.3
261.18762	1.5
261.22211	9.5
267.15924	20.7
273.18591	1.7
279.23236	2.5
283.24121	1.0
285.22183	3.9
287.20102	1.5
295.22672	1.2
299.23666	2.0
301.21805	1.8
301.25226	14.9
303.23297	2.0
307.19153	1.7
317.24835	2.0
321.20779	1.3
323.88580	1.0
329.21121	1.3
335.25812	16.6
341.24704	1.9
359.25894	1.8
369.45438	1.0
403.25125	1.4
421.25858	3.5
435.27475	2.3
435.32663	6.5
449.28848	1.5
453.33609	10.4
459.84784	1.0
471.34763	7.0
509.36349	2.2
525.64099	1.3
527.37354	52.7
545.38428	100.0
546.39148	1.3
572.43750	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.3842
Annotation	Unknow
Peak:m/z	Relative Intensity
50.94603	1.3
51.02381	1.5
53.03950	4.1
55.01876	4.7
55.05515	28.7
57.03443	10.6
57.07077	2.6
59.05015	1.3
65.03947	2.9
67.05511	61.6
69.03436	3.6
69.07072	19.5
69.31188	3.4
69.31599	7.2
71.05006	5.8
71.08609	1.5
79.05109	0.9
79.05498	40.4
81.03423	27.7
81.07061	55.1
83.04999	6.3
83.08622	23.3
85.06565	3.5
86.09717	4.6
87.04514	1.5
89.06086	1.4
91.05486	30.1
93.07051	42.5
93.07645	2.6
95.04981	14.8
95.08614	37.1
97.02886	1.4
97.06554	7.7
97.10183	20.9
97.10782	1.8
99.08114	1.7
103.05453	1.5
105.07036	24.7
107.04980	6.4
107.08603	28.6
109.06537	6.1
109.10159	23.5
109.10830	1.7
111.08118	4.7
117.07030	11.0
119.08585	28.3
121.06532	7.6
121.10152	19.6
123.08095	3.9
123.11742	6.8
125.09641	14.0
129.06995	10.7
131.08572	23.6
133.06516	2.6
133.10135	17.4
135.08040	6.1
135.11722	14.3
137.09662	3.8
137.13304	1.7
141.06969	1.4
142.07813	1.9
143.07645	1.2
143.08575	7.3
145.06511	1.9
145.10136	17.8
146.98199	7.7
147.08075	3.1
147.11682	11.0
149.09691	4.0
149.13280	6.2
151.11247	2.7
155.08614	3.3
157.10156	9.7
159.08069	3.0
159.11662	11.7
161.09659	2.1
161.13258	6.3
163.11182	3.2
163.14905	3.9
169.10185	3.5
171.10445	1.6
171.11707	7.4
173.09695	1.4
173.11914	2.3
173.13353	7.6
175.11269	3.8
175.14897	3.0
179.08643	1.4
181.10214	2.4
183.11787	4.2
185.13344	4.6
187.11264	2.0
187.13408	1.5
187.14911	5.6
189.11212	6.9
189.16261	1.3
193.12265	9.0
197.13283	2.6
199.14915	3.4
201.13013	1.2
201.16402	2.6
209.13316	1.6
211.14891	2.1
213.16493	2.0
225.16670	1.3
227.12750	12.6
233.15465	1.9
237.16563	1.4
241.19647	1.6
243.15982	1.5
243.21111	2.5
247.17036	2.4
261.18600	1.4
261.19574	1.7
261.22150	11.0
267.15909	25.6
267.21063	1.9
273.18753	1.3
279.23114	1.6
280.69629	1.2
283.24149	2.1
285.22223	2.4
287.94876	1.4
295.22839	1.3
299.23981	1.8
301.25211	14.9
303.23257	1.8
317.24829	3.4
327.23276	1.5
335.25824	17.1
340.29544	1.6
341.24802	1.4
359.25879	2.5
417.31793	1.5
421.26208	4.0
423.32401	1.3
435.27408	2.6
435.32755	6.7
451.78156	1.3
453.33768	13.5
471.34827	9.3
485.26242	2.0
486.26688	9.3
509.36298	4.4
527.37323	51.3
528.39233	1.4
534.87048	1.6
545.38599	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.3837
Annotation	Unknow
Peak:m/z	Relative Intensity
51.26077	1.2
53.03946	5.1
55.01867	5.8
55.05513	34.3
57.03440	11.8
57.07062	4.0
65.03932	3.5
67.05505	73.6
69.03426	4.3
69.07063	16.8
71.05003	3.6
71.08646	1.5
78.31462	1.2
79.05493	43.6
81.03422	28.7
81.03866	2.2
81.07056	65.7
83.04992	6.9
83.08618	18.8
85.02898	1.5
85.06544	2.8
86.09730	1.3
91.05480	36.1
93.07044	47.8
95.04979	18.7
95.08611	37.3
97.06530	7.0
97.10165	18.9
98.61517	1.3
99.08089	1.9
105.07026	32.0
105.07687	2.0
107.04982	7.2
107.08598	31.7
109.06523	4.4
109.10152	26.9
110.81640	1.2
111.08093	6.2
116.83170	1.2
117.07017	14.1
119.08578	27.5
120.69711	1.2
121.06486	6.5
121.10137	18.7
123.08099	4.5
123.11707	12.2
123.41796	1.5
125.09625	16.7
128.06244	2.7
129.07005	11.4
131.08562	26.9
133.06519	3.7
133.10139	20.6
135.08095	4.6
135.11708	13.0
137.09634	3.1
137.13322	2.6
139.11201	1.8
141.07014	2.3
142.07785	2.5
143.08534	7.5
145.06540	2.9
145.10115	18.7
147.08069	3.4
147.11696	15.0
149.09673	4.6
149.13229	8.1
155.08571	3.8
157.10132	10.5
159.11684	13.8
161.09657	2.2
161.13260	7.5
163.11179	3.4
163.14799	3.0
169.10164	5.9
171.10410	1.4
171.11742	6.1
173.09740	2.0
173.11899	2.4
173.13264	11.0
175.11238	4.2
175.14874	5.0
177.12799	1.6
181.10143	1.5
183.11729	5.2
184.07381	2.3
185.13271	7.9
187.14850	4.9
189.11252	8.3
189.12773	3.1
189.16446	2.7
191.14349	1.6
193.12137	10.6
195.11783	2.3
197.13342	4.2
199.14816	3.6
201.16441	3.2
205.12146	1.7
209.13397	1.6
211.13266	1.8
211.14995	1.7
227.12764	12.3
229.19460	2.2
231.13997	1.4
243.21048	2.6
247.16936	1.6
247.20706	1.5
249.14873	1.8
259.20624	2.7
261.22098	11.8
267.15912	25.3
277.21628	2.0
281.21158	2.5
285.22159	5.3
287.19867	2.4
299.23709	4.4
301.25253	18.0
303.23224	1.7
317.24872	2.4
329.21149	2.1
335.25821	18.7
343.22717	1.9
347.22278	1.6
357.27756	2.1
359.26080	1.5
421.25934	3.5
425.33972	1.7
432.36072	1.4
435.27512	2.9
435.32782	8.8
449.28958	1.6
453.33643	14.6
471.34683	10.7
509.36389	2.9
517.38666	1.6
527.37384	62.3
545.38440	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	545.3838
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	3.9
55.01881	6.9
55.05511	25.9
56.51508	1.0
57.03445	7.9
57.07064	2.4
59.04985	1.7
65.03925	2.5
67.05504	55.2
69.03426	3.7
69.07067	12.9
69.67924	1.2
69.75615	3.9
71.04974	2.5
74.72525	0.9
77.03915	1.5
79.05494	34.9
79.26292	0.9
81.03414	28.6
81.07055	53.1
83.04980	6.2
83.08614	16.6
85.06542	2.6
88.62974	1.1
91.05479	32.9
93.07042	32.1
95.04967	16.0
95.08605	36.5
97.06532	4.0
97.10169	18.7
99.08105	1.9
103.05502	1.1
105.07035	26.1
107.04948	5.3
107.08589	24.8
109.06527	3.3
109.10161	22.3
111.08081	3.5
115.05476	1.5
117.07024	13.4
119.08577	23.0
119.09373	1.8
121.06515	6.8
121.10136	15.9
123.08056	5.4
123.11713	8.3
125.09644	12.0
128.06145	1.5
129.06995	7.1
131.08562	19.9
133.06531	2.4
133.10120	15.6
135.08040	6.0
135.11682	12.6
137.09596	2.3
137.13277	2.1
139.47639	1.1
142.07733	1.2
143.08549	8.3
145.10123	13.9
147.08049	2.7
147.11700	10.8
149.09621	5.4
149.13242	5.5
151.11235	1.6
155.08568	3.4
157.10117	9.0
159.08083	2.9
159.11702	11.2
161.09682	2.6
161.13301	6.3
163.11183	3.1
163.14842	2.2
169.10167	4.3
171.10365	1.1
171.11658	5.3
173.09697	2.5
173.13228	9.0
175.11208	3.7
175.14813	2.6
177.12801	1.6
179.14322	1.5
181.10172	1.4
183.11757	2.6
185.13319	6.1
187.11259	2.0
187.14867	3.9
189.11252	7.4
189.12770	1.7
189.16455	2.5
193.12256	9.8
195.11617	1.3
197.13295	2.8
199.14827	2.8
201.16425	3.4
207.13802	1.1
211.13240	2.7
211.15016	2.0
213.16475	1.7
219.21284	1.1
225.16508	1.5
227.12791	11.0
233.15338	1.5
243.21172	1.6
247.16995	3.3
249.14812	1.4
261.22104	10.9
267.15903	22.2
273.18622	1.5
279.23245	1.9
281.21143	1.4
285.22147	2.8
287.20154	1.4
293.21240	1.3
299.23648	1.3
301.25235	12.1
303.23254	1.6
315.22998	2.0
317.24738	2.9
329.20953	1.7
335.25809	19.5
343.22842	1.2
355.54514	1.1
357.27905	1.6
359.25797	2.0
403.25027	2.1
417.31662	1.6
421.25830	2.7
435.27469	2.4
435.32697	7.8
449.28848	1.5
453.33566	12.5
453.39301	1.2
471.34882	10.3
502.85876	1.4
509.36511	2.8
527.37317	55.6
545.38367	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.3839
Annotation	Unknow
Peak:m/z	Relative Intensity
51.27016	1.2
51.52547	1.3
52.37223	1.4
53.03928	3.2
55.01868	5.0
55.05514	32.2
56.20661	1.2
57.03442	10.9
57.07063	2.9
59.04988	2.5
59.57329	1.2
59.77835	1.5
65.03922	3.0
67.05504	63.0
69.03417	4.6
69.07068	14.4
71.04996	3.7
74.10002	1.3
77.46373	1.6
77.58385	1.2
79.05022	1.4
79.05492	35.3
81.03419	28.3
81.07058	51.9
83.04980	4.1
83.08613	17.1
85.06530	4.0
91.05485	28.7
93.07045	35.6
95.04967	17.6
95.08611	35.0
97.02859	1.7
97.06524	3.9
97.10167	19.7
98.24978	1.5
105.04510	1.5
105.07038	25.7
107.04961	5.9
107.08605	24.7
109.06487	6.5
109.10156	26.7
111.08098	5.5
115.05449	1.8
117.07000	14.2
119.08591	25.1
121.06491	6.8
121.10153	15.4
123.08071	4.5
123.11692	7.5
125.09621	16.6
129.06985	8.0
131.08575	23.5
133.06499	2.7
133.10138	18.2
135.08067	5.3
135.11691	10.7
137.09619	3.8
137.13184	1.4
141.07031	2.0
143.08583	7.4
145.06483	1.8
145.10109	13.7
147.08060	2.1
147.11641	11.4
149.09650	2.8
149.13278	6.7
153.09160	1.9
155.08521	2.7
157.10123	9.4
159.11722	10.8
160.17491	1.5
161.13264	7.3
163.11212	3.5
163.14842	3.5
169.10138	3.7
171.10297	2.6
171.11687	7.3
173.09695	1.7
173.13277	9.4
175.11200	4.2
175.14832	3.6
177.12793	2.3
181.10223	2.0
183.11649	3.4
185.13284	4.6
187.14857	4.2
189.11255	6.9
189.16533	1.8
191.14415	1.6
193.12154	8.6
197.13316	2.3
199.14772	3.5
207.11867	1.9
227.12825	13.8
233.15460	2.1
243.15855	1.5
243.21130	1.7
247.17001	2.5
249.14813	2.7
261.18759	3.2
261.22183	12.9
267.15903	26.5
279.23303	2.5
283.24466	1.5
285.22247	4.0
287.20319	2.0
299.23587	2.6
301.21768	2.5
301.25186	18.0
303.23212	3.2
307.19101	1.5
321.20844	1.7
329.21133	2.0
335.25781	19.9
359.25729	1.8
376.64441	1.7
403.25290	1.6
417.31519	3.2
421.25754	5.5
435.27545	3.3
435.32733	6.2
453.33459	10.1
471.34702	9.8
509.36218	4.3
527.37354	59.5
545.38409	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	545.3303
Annotation	Unknow
Peak:m/z	Relative Intensity
53.13970	0.2
55.05513	0.3
57.03438	0.4
67.05505	0.6
69.03439	0.4
69.07065	0.4
71.52537	0.3
72.08155	0.2
79.05496	0.5
81.03417	0.4
81.07052	0.3
81.95347	0.2
83.04958	0.4
85.02905	0.5
86.43552	0.2
89.03904	0.4
91.05492	0.6
93.07048	0.3
95.04947	0.3
95.08600	0.2
96.64975	0.2
97.02896	0.8
97.06483	0.3
98.97592	0.2
100.11300	0.2
104.12288	0.3
105.07074	0.4
109.10138	0.3
111.04461	0.2
117.03337	0.4
119.08591	0.4
123.04475	0.3
127.03946	0.3
130.05005	0.2
131.08604	0.3
145.02869	0.9
145.10170	0.3
147.04445	0.4
161.05975	0.2
163.03931	0.8
176.83873	0.2
177.05476	2.0
182.15480	0.2
193.05032	0.5
203.05292	4.0
207.06610	0.3
221.08104	0.4
223.40396	0.3
231.75894	0.2
245.45901	0.2
257.04672	0.3
335.25528	0.4
353.13843	0.6
365.26636	15.1
383.10880	0.2
383.27756	1.2
384.25345	0.3
409.09750	0.2
425.28491	0.3
499.09988	0.2
545.33014	100.0
546.33612	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.2958
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	6.3
55.01864	5.6
55.05508	8.8
56.96564	2.9
57.03437	20.8
58.97642	1.4
61.02925	14.0
63.38855	1.7
65.03931	2.7
67.05175	2.4
67.05507	34.2
69.03436	16.0
69.07071	38.8
70.06588	2.3
71.01338	3.6
71.04994	24.8
71.31303	1.4
73.02924	13.8
74.26373	1.4
76.84602	1.6
79.05066	3.0
79.05495	28.7
79.72954	1.3
81.03417	18.2
81.07063	32.4
81.21512	1.5
83.04995	7.9
83.08621	8.4
84.04472	1.4
85.02917	23.0
85.06543	5.5
87.04458	2.9
91.03946	7.4
91.05483	30.9
93.07046	26.3
95.04981	12.2
95.08609	14.9
97.02890	23.6
97.06538	31.4
97.10181	2.6
99.04453	3.7
99.08092	23.6
101.02363	3.5
103.03955	3.7
105.04490	2.7
105.07036	18.8
107.04964	17.7
107.08608	18.9
109.02872	5.6
109.06509	17.2
109.10143	8.3
111.04443	4.0
111.08107	8.3
113.06046	3.0
115.05439	1.9
115.07565	45.6
117.03350	1.7
117.07004	10.9
119.04959	2.0
119.08598	13.2
121.06522	7.8
121.10133	9.1
123.04436	2.4
123.08080	6.8
123.11721	2.5
125.05927	1.7
127.03928	8.5
127.07561	12.3
129.05444	2.6
129.06996	5.2
131.04918	2.1
131.08585	11.4
133.06503	4.3
133.10138	12.4
135.04407	1.6
135.08054	14.3
135.11707	10.6
137.05902	2.0
137.09627	2.5
139.03905	1.8
143.08647	3.3
145.05026	1.8
145.06436	1.8
145.10089	11.1
147.04428	2.4
147.08058	6.4
147.11668	7.0
149.05998	1.9
149.09653	7.1
149.13254	4.2
151.11177	2.5
153.09087	1.9
157.10144	7.4
159.08070	5.4
159.11728	7.5
161.09662	6.9
161.13335	2.9
163.03934	5.4
163.07529	1.7
163.11220	4.9
165.25134	1.7
169.06448	1.7
169.10156	4.1
171.11725	4.2
173.09650	3.5
173.13300	5.2
175.11092	3.5
177.05524	2.4
177.09195	1.8
177.12708	4.6
179.10709	2.6
181.10109	1.8
181.12192	2.7
183.11679	2.7
185.13260	3.1
187.11220	3.2
189.12776	2.8
191.10677	2.3
195.13808	2.3
199.14899	3.7
201.12796	3.6
203.14281	2.1
215.14366	1.8
217.15929	6.7
219.13841	5.1
221.08159	2.4
221.15349	2.6
227.17970	2.7
229.14377	1.9
233.15359	8.4
245.19020	3.5
251.16501	1.9
255.17603	1.8
259.09720	2.3
260.36560	1.5
269.17538	7.0
273.18503	29.1
283.15488	1.8
289.17798	3.5
291.19559	28.9
297.03967	4.2
298.81717	1.4
307.19089	5.8
317.08514	8.4
325.20126	2.3
347.22040	10.0
353.13870	2.1
365.23227	50.3
383.24268	32.4
393.03745	1.7
473.25223	1.7
491.26398	1.6
509.27094	2.5
527.28662	3.8
545.16309	100.0
545.27972	15.4
545.35223	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	545.3299
Annotation	Unknow
Peak:m/z	Relative Intensity
56.02158	0.2
67.05485	0.4
69.03418	0.3
69.07064	0.3
69.80011	0.2
70.04687	0.9
72.32814	0.2
79.05491	0.3
81.07040	0.4
84.08157	0.3
85.02909	0.4
93.07056	0.4
95.04975	0.4
97.02891	0.6
97.06511	0.4
100.90347	0.2
105.07022	0.2
108.28309	0.2
119.42884	0.2
121.65212	0.2
123.04466	0.3
131.08553	0.3
133.10249	0.3
135.08020	0.3
135.29147	0.2
137.05959	0.6
151.03954	0.3
161.05994	0.6
163.03883	0.6
177.05446	0.3
179.58693	0.2
203.05260	3.3
231.08241	0.4
291.10205	0.7
323.12686	0.4
347.07162	0.3
365.26624	16.8
367.55502	0.3
383.27695	1.1
414.17480	0.2
545.32971	100.0
546.33313	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	544.2029
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01858	0.6
57.99550	0.4
65.03941	0.5
69.03424	1.1
70.06587	1.2
70.77901	1.0
73.65320	0.5
75.04482	3.8
79.05497	2.6
84.39162	0.5
85.02898	1.3
92.32810	0.5
98.06039	1.6
103.05473	1.1
105.07035	18.4
105.72515	0.5
109.02907	0.6
117.05766	0.8
119.08594	1.1
121.02876	13.5
121.06569	0.5
122.03226	4.5
123.08062	2.0
127.03945	0.8
129.44508	0.5
130.06497	1.0
130.08632	2.6
131.07309	16.6
131.40402	0.5
132.08087	13.7
133.07590	2.1
134.09662	0.6
143.07310	0.5
144.08075	2.6
145.08882	5.5
146.09648	100.0
148.11182	0.6
157.08868	0.6
158.09660	10.3
159.02750	0.6
159.10474	1.2
160.07579	4.4
160.11217	40.6
162.09138	0.9
162.12721	0.5
163.03978	0.7
172.07591	1.4
175.09904	1.0
176.07109	1.4
186.09138	0.9
187.09885	1.1
188.10696	6.0
190.08672	0.7
190.12244	4.3
191.09459	0.6
191.38358	0.6
192.10201	20.7
192.13834	3.9
206.11765	2.2
218.11761	6.6
220.13388	2.9
233.04387	0.7
236.12837	4.8
246.11343	2.8
248.12769	2.0
250.14394	9.3
264.12320	20.3
272.69302	0.5
273.03870	2.0
274.04407	2.9
275.05099	1.2
278.13873	84.4
285.04050	0.7
286.04266	1.6
296.14929	23.9
303.05008	5.0
304.05362	6.4
308.59503	0.6
328.05453	1.5
351.04877	0.5
370.06110	0.7
403.90533	0.6
406.08444	1.3
512.17310	1.2
544.11987	1.0
544.20660	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	544.1696
Annotation	Unknow
Peak:m/z	Relative Intensity
52.28191	0.1
53.03944	0.6
55.01870	0.6
55.05516	0.7
56.96561	0.2
57.03439	0.3
57.07072	0.2
61.02918	0.3
67.05516	0.5
68.99791	0.2
69.03423	1.5
69.07079	0.3
70.04079	100.0
71.05017	0.2
71.52347	0.2
73.02923	0.5
79.05476	0.3
81.03426	1.9
81.07053	0.2
81.76086	0.1
83.04999	0.2
83.08627	0.5
85.02907	4.8
87.00827	2.0
91.05486	0.4
92.26640	0.2
93.07051	0.2
93.72118	0.2
95.04972	0.4
97.02900	2.4
97.06546	0.2
97.10157	0.1
99.04454	0.9
99.08108	1.1
105.01862	2.0
107.08581	0.3
109.02877	2.0
109.10153	0.3
115.03948	0.4
117.01920	0.2
119.08587	0.3
121.10052	0.2
125.02367	0.2
127.03920	3.2
129.01865	0.2
133.10194	0.2
139.03920	0.3
145.04976	1.4
145.06509	0.2
145.10146	0.2
157.03481	0.2
159.02939	0.9
161.04474	0.3
163.03986	0.2
183.10287	0.5
195.10239	0.3
211.08829	0.3
213.04021	0.2
225.11311	0.4
227.08388	0.7
231.05003	0.8
308.22745	0.2
329.12527	0.3
411.96277	0.2
511.73758	0.2
512.57184	0.2
544.29797	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	544.2031
Annotation	Unknow
Peak:m/z	Relative Intensity
59.05011	0.8
67.05495	0.7
69.03431	0.5
69.07066	0.7
69.83224	0.9
69.83627	1.9
70.00892	0.5
70.06586	1.3
75.04479	4.0
76.76033	0.4
79.05499	2.1
81.03441	0.6
82.58863	0.4
85.02904	0.5
87.00864	0.5
87.19180	0.5
91.05489	1.1
91.81963	0.4
97.02904	1.0
98.06057	1.9
98.21482	0.8
103.05474	1.1
105.07042	17.2
109.02887	0.4
117.05790	0.6
119.08601	1.2
120.04479	0.4
121.06541	0.6
123.08058	2.3
130.06563	0.9
130.08632	3.8
131.07323	15.6
132.08092	8.0
132.09012	0.6
133.07617	1.9
135.04407	0.5
139.03824	0.5
144.08058	2.2
145.08900	5.0
146.09656	100.0
147.04413	0.9
147.06772	0.4
148.11237	0.7
158.09676	11.0
159.10439	1.5
160.07620	2.8
160.11227	38.6
161.08389	1.1
162.09224	0.6
162.12810	0.5
163.03896	1.5
172.07614	1.6
176.07114	0.9
177.05602	0.4
186.09116	0.9
187.09868	1.1
188.10712	6.3
190.12277	4.7
191.09436	0.5
192.10197	8.2
192.13869	3.9
206.11829	0.5
218.11777	6.1
220.13399	2.9
229.14328	0.5
236.12869	1.6
246.11250	1.7
248.12860	2.6
250.14395	12.7
264.12311	6.9
278.13885	99.8
279.14078	0.6
296.14944	13.1
296.18307	0.7
483.04166	0.6
544.24591	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.3854
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	7.6
57.03444	4.1
57.06795	6.1
57.07079	100.0
58.04230	12.7
59.04758	2.5
59.05006	34.5
67.05511	15.5
69.07045	6.2
69.34274	19.5
71.08636	92.6
72.05782	15.8
73.02915	8.8
73.06560	17.2
79.05487	4.6
79.56544	3.0
81.07042	11.6
82.07832	5.6
83.08617	7.4
85.10186	89.4
87.04470	20.5
88.05233	3.4
88.07637	2.7
88.08322	2.4
89.06026	28.6
90.01921	50.4
91.05491	4.6
93.07037	3.7
95.08591	4.9
97.10167	6.6
99.11735	6.0
103.07598	14.6
105.07004	3.5
107.08582	5.1
109.10137	4.2
116.08391	3.2
117.09118	12.1
121.10122	3.7
130.78001	2.3
131.06984	4.7
131.10675	2.7
133.08618	12.6
133.10039	3.9
138.13983	2.9
141.16399	9.3
147.10204	5.1
155.93504	3.1
169.15878	8.4
177.11183	4.6
178.07065	9.1
178.52641	2.6
189.42610	2.6
194.13811	2.7
198.19798	3.7
199.20538	9.5
208.15540	3.8
222.09789	17.6
222.16969	3.4
223.15352	3.4
238.16411	4.2
243.23260	4.2
252.18037	5.6
253.16537	6.9
268.32074	2.9
310.22382	2.9
328.15826	13.0
392.33835	17.5
542.53833	5.0
543.38123	12.8
543.54633	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	544.1694
Annotation	Unknow
Peak:m/z	Relative Intensity
51.48491	0.1
53.03938	0.6
55.01864	0.6
55.05502	0.5
55.16708	0.1
56.96559	0.1
57.03439	0.6
57.07074	0.4
61.02923	0.4
67.05505	0.4
68.99798	0.2
69.03428	1.9
69.07070	0.2
70.04074	100.0
71.04980	0.4
73.02920	0.5
78.65192	0.1
79.05491	0.3
81.03416	2.0
81.03862	0.2
81.07050	0.6
83.01244	0.1
83.04980	0.2
83.08617	0.5
85.02901	5.5
87.00829	1.9
91.03980	0.3
91.05484	0.3
93.07047	0.2
95.04979	0.2
97.02884	2.8
97.06519	0.2
99.04453	1.2
99.08099	1.6
105.01860	2.2
105.07007	0.2
107.05009	0.2
107.08617	0.2
109.02875	2.4
109.10170	0.3
111.04459	0.1
111.89534	0.1
115.03936	0.4
117.01865	0.2
117.07021	0.1
119.08617	0.2
121.06491	0.1
123.04477	0.2
125.02361	0.2
127.03913	3.9
127.04811	0.2
129.01865	0.2
133.10150	0.2
139.03931	0.3
145.04956	2.0
145.10112	0.3
147.02914	0.3
159.02910	1.3
161.04520	0.3
163.03923	0.2
170.36455	0.1
183.10225	0.5
195.10205	0.3
211.08867	0.3
213.03998	0.3
225.11220	0.7
227.08372	1.0
229.43881	0.2
231.04959	1.2
247.04553	0.2
249.05960	0.1
297.03909	0.2
306.06296	0.1
329.12433	0.3
408.81497	0.1
426.38788	0.1
495.47253	0.1
544.30188	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.3682
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01608	1.0
53.03941	5.3
53.05351	1.0
55.01870	4.2
55.05516	15.9
57.03437	4.2
57.07067	2.3
65.03951	2.9
67.05506	42.6
67.80029	1.0
69.03469	1.5
69.07062	14.3
69.43320	6.5
71.04996	3.4
73.02901	1.2
77.03914	1.0
77.54574	1.0
79.05494	44.0
80.55528	1.0
81.03420	4.7
81.07059	38.5
83.04998	5.0
83.08618	7.9
86.03068	1.1
91.05479	25.3
93.07046	56.8
95.04966	9.2
95.08609	44.2
97.02901	4.3
97.06547	4.8
97.10181	3.4
99.04473	3.3
99.08125	1.6
103.05463	1.8
104.06222	1.0
105.04559	1.8
105.07034	21.3
105.07697	1.5
107.04958	9.0
107.08595	37.0
107.09304	1.8
109.06590	1.3
109.10146	7.3
111.08083	1.6
115.05486	1.2
117.07012	11.8
119.08592	15.7
121.06503	6.1
121.10151	22.4
123.08138	1.6
123.11739	3.7
125.06034	2.4
125.09633	1.7
128.06242	1.6
129.07047	2.8
130.07843	2.1
131.08557	7.4
133.10129	8.9
135.08107	2.9
135.11699	45.9
139.07578	1.1
141.07034	1.1
143.08609	3.8
145.10127	26.3
147.11739	3.5
149.09636	1.4
149.13310	2.9
150.55775	1.1
155.08612	1.2
157.10188	2.0
159.11775	3.8
161.13358	2.3
163.11182	43.5
167.08635	1.1
171.11754	1.2
173.13228	2.5
175.14868	1.7
176.06615	1.2
181.12271	10.5
185.13432	1.6
189.11136	1.2
193.12244	1.3
197.13382	1.7
209.11809	1.5
227.12782	100.0
243.21265	1.1
261.22275	5.0
275.20044	2.0
317.24921	1.4
406.33942	1.3
407.93179	1.1
423.33121	1.2
433.30978	1.3
469.33456	2.0
525.35980	2.4
543.36877	95.5
544.38074	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.3684
Annotation	Unknow
Peak:m/z	Relative Intensity
51.05213	0.6
53.03943	2.4
55.01867	3.0
55.05514	16.6
56.96556	0.7
57.03439	5.6
58.21644	0.6
59.04999	0.7
60.68245	0.6
60.77796	0.6
61.02933	0.8
65.03943	2.7
66.86105	0.6
67.05509	30.5
69.03427	2.3
69.07066	10.9
71.04987	2.3
79.05499	19.4
81.03431	5.1
81.07060	24.3
83.04988	3.6
83.08620	9.6
85.02901	1.2
85.06558	2.1
89.06030	0.9
91.05486	20.6
93.07053	18.0
95.04971	6.0
95.08608	16.0
97.02855	0.8
97.06536	2.0
97.10161	8.8
99.08109	0.7
105.04543	0.8
105.07032	16.6
105.07692	1.2
107.04964	2.3
107.08598	14.6
109.06564	1.9
109.10163	12.7
111.04485	0.6
111.08102	2.2
115.05473	2.0
117.07017	11.1
119.08581	15.7
121.06506	4.1
121.10138	7.3
123.08068	2.3
123.11759	2.1
125.09630	8.9
128.06216	2.2
129.05505	1.0
129.07016	9.6
130.07826	1.2
131.08572	17.8
133.06526	2.1
133.10144	9.9
135.08055	4.7
135.11725	3.3
137.09605	1.1
141.06920	3.7
142.07829	2.9
143.08565	11.1
144.09320	1.4
145.06503	2.4
145.10124	15.7
147.08087	2.9
147.11711	5.4
149.09676	1.8
149.13240	2.3
153.06953	0.8
153.09094	1.0
154.07779	0.8
155.08583	5.3
156.09390	1.0
157.04286	0.7
157.06541	1.3
157.10112	9.3
159.08104	3.4
159.11705	11.0
161.09627	1.9
161.13263	3.1
163.11206	1.3
166.79701	0.9
167.08594	2.9
169.10150	7.9
171.08095	1.8
171.10263	1.4
171.11678	9.8
173.09642	3.1
173.11887	1.5
173.13306	6.2
175.09776	0.7
175.11215	1.7
175.14848	1.0
177.12793	1.2
179.08623	1.4
181.10182	3.4
183.11688	6.0
185.09648	2.1
185.13266	5.8
187.11227	1.8
187.13335	1.0
187.14789	3.5
189.11261	4.8
189.12784	1.3
189.16452	0.7
193.10214	1.9
193.12231	1.3
195.11771	4.7
197.13264	4.7
199.11089	1.7
199.14833	3.7
201.12808	1.4
201.16360	1.5
203.14436	1.3
207.11700	1.7
209.13322	2.8
211.11192	1.2
211.14857	1.8
213.12794	1.0
213.16527	1.3
215.14357	1.0
221.13246	0.8
223.14877	2.6
225.16365	1.2
227.12672	8.1
229.14253	1.3
235.14941	1.0
237.12730	0.8
237.16449	1.7
241.15878	1.0
241.19653	1.0
259.20660	2.3
267.15930	2.0
271.16843	1.4
271.20740	1.1
273.18652	1.5
275.19974	1.8
281.22635	0.9
283.20630	2.9
285.18646	0.9
297.18777	1.1
297.22205	1.7
299.20410	1.0
299.23669	8.3
301.21637	1.8
311.20059	1.1
313.21564	0.9
325.21530	1.3
327.23166	1.0
329.21057	1.1
333.24332	1.6
339.23242	1.4
345.24335	0.9
355.26514	0.8
357.24280	1.6
375.59314	0.8
403.25079	1.0
405.31470	1.2
415.29855	2.7
417.26227	0.9
421.25864	2.5
423.32596	2.0
431.27875	0.8
433.31039	7.5
435.27426	1.7
451.31995	12.5
469.33209	6.8
471.32205	1.0
487.34439	1.2
489.33087	0.8
507.34702	3.0
511.29999	0.8
525.35791	32.2
543.36871	100.0
544.37610	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.3142
Annotation	Tricalysioside S
Peak:m/z	Relative Intensity
53.03926	0.6
53.38967	0.3
54.50712	0.4
55.01861	0.4
55.05508	0.6
56.96569	0.7
57.03444	0.4
58.80007	0.4
67.05489	1.3
69.03428	0.9
69.07082	0.5
69.67818	2.5
70.06586	1.7
71.04963	0.4
72.08141	0.4
73.42505	0.4
75.68696	0.4
79.05498	1.1
81.03413	0.6
81.07051	1.1
85.02900	1.0
86.09692	0.6
88.03962	0.4
89.03906	0.4
91.05486	1.4
93.07043	0.8
95.05006	0.5
95.08620	0.7
96.04504	2.1
97.02889	1.0
97.04810	0.5
97.06550	0.9
98.46153	0.4
98.97581	0.8
99.82021	0.4
105.07037	1.2
107.04984	0.6
107.08569	0.9
109.02890	0.5
109.10153	0.9
112.07615	1.3
119.08604	1.0
121.02883	1.2
121.06499	0.5
122.02872	0.4
123.04437	0.6
125.09616	0.6
127.03909	0.6
127.17751	0.4
135.04399	0.5
136.06192	0.9
137.06007	0.4
140.07088	0.8
145.02852	0.7
147.04372	0.5
147.11646	0.5
161.05977	0.5
162.04103	0.5
163.03896	3.3
175.03992	0.4
203.05247	2.9
215.07051	0.6
217.08672	0.5
221.05780	0.6
259.09659	0.6
273.04172	0.5
283.04630	0.5
285.03766	0.6
303.04938	1.2
363.20676	0.7
363.25070	13.6
376.92737	0.4
381.26224	0.7
490.39340	0.5
513.30054	0.8
543.31396	100.0
544.31732	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.3506
Annotation	Unknow
Peak:m/z	Relative Intensity
51.95228	0.2
55.05497	0.8
57.07050	0.4
67.05488	1.1
69.07052	0.9
71.37539	0.6
79.05473	0.9
81.07069	1.4
83.04993	0.3
83.08628	0.4
88.79234	0.2
89.06027	0.5
91.05486	1.0
92.05798	0.3
93.07041	1.0
94.07363	0.3
95.04914	0.3
95.08617	0.7
96.79763	0.3
99.45242	0.3
102.39014	0.3
105.07020	0.7
107.08593	0.7
107.94865	0.2
109.10188	0.4
118.33545	0.3
119.08598	0.4
131.08615	0.4
133.08592	0.5
133.10139	0.4
135.11720	0.4
145.10162	0.4
211.14830	0.3
259.07773	0.3
275.20151	0.4
437.30591	0.3
525.35638	0.3
527.63446	0.3
543.35016	100.0
544.35376	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.3145
Annotation	Tricalysioside S
Peak:m/z	Relative Intensity
51.58735	0.4
53.95785	0.4
54.97415	0.4
55.05513	0.6
67.05513	0.9
69.03429	1.2
70.06592	1.7
71.04997	0.5
71.52837	0.7
72.08147	0.5
73.02904	0.5
79.05504	1.1
81.03426	1.0
81.07063	0.8
83.04964	0.7
84.28494	0.4
85.02922	0.7
86.09704	0.6
87.04456	0.4
91.05487	1.4
92.14772	0.4
93.07043	1.1
94.00550	0.4
95.04957	0.5
95.08621	0.6
96.04504	1.6
97.02900	1.5
97.04812	0.4
97.06553	0.9
99.08147	0.4
105.07027	0.8
107.08622	0.7
109.02879	0.6
109.06512	0.8
109.10175	0.9
112.07652	0.5
116.09780	0.4
117.32661	0.4
119.08601	0.7
121.02889	1.7
121.06500	0.5
123.04463	0.5
127.03974	0.5
131.08577	0.5
133.10149	0.6
135.04417	0.7
136.06218	0.6
140.07133	0.5
145.10188	0.6
161.09576	0.5
163.03912	3.1
174.28470	0.4
177.05463	0.9
193.05051	0.6
203.05249	3.5
209.11784	0.4
259.09784	0.6
273.03998	0.5
281.09714	0.4
303.04904	1.1
306.49924	0.4
327.05023	0.4
363.25067	12.1
381.26254	0.9
409.16809	0.4
513.30463	1.0
543.24377	4.4
543.31439	100.0
544.31677	1.1
554.55927	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.1325
Annotation	Unknow
Peak:m/z	Relative Intensity
70.35649	1.8
70.35995	0.7
79.84875	0.6
89.16154	0.5
98.21340	0.6
104.56631	0.6
114.89347	0.6
135.54395	0.6
176.01141	1.5
204.68442	0.6
331.76266	0.7
381.07932	13.0
404.78964	0.8
486.98398	0.6
543.13245	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	543.2417
Annotation	Unknow
Peak:m/z	Relative Intensity
50.07846	0.2
65.45519	0.3
70.06593	0.4
70.76633	0.6
70.76984	0.5
72.08148	0.4
81.03447	0.3
85.02921	0.4
85.58302	0.2
86.09709	0.6
87.72285	0.3
91.05485	0.3
97.02898	0.4
107.08681	0.3
120.04470	0.3
121.02866	0.5
123.04409	0.3
137.05872	0.3
139.03885	0.4
163.03964	1.0
258.85977	0.3
277.63464	0.3
317.08582	0.3
334.90625	0.3
335.09479	2.1
355.78613	0.2
411.19830	2.3
505.27890	0.3
543.24182	100.0
544.24860	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.2418
Annotation	Unknow
Peak:m/z	Relative Intensity
53.77025	0.2
58.19696	0.2
61.02927	0.2
66.47166	0.2
67.05502	0.2
70.06571	0.3
71.52094	0.3
72.08143	0.4
77.66538	0.2
81.03451	0.2
81.07054	0.3
84.08162	0.3
85.02886	0.4
86.09710	0.5
93.06997	0.2
95.08599	0.2
97.02911	0.4
97.06516	0.2
98.97581	0.4
119.08570	0.2
120.04472	0.3
123.04450	0.2
126.06938	0.2
131.08623	0.2
135.04448	0.2
139.03885	0.2
147.04416	0.3
160.98409	0.2
163.03925	0.6
172.03966	0.2
211.13527	0.2
242.01883	0.2
246.14734	0.3
275.07614	0.2
278.00296	0.2
280.10703	0.2
335.09509	0.6
349.13046	0.2
411.19962	2.7
429.19882	0.4
507.26443	0.3
525.22876	0.2
543.24164	100.0
544.24609	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.1139
Annotation	Muraxanthone
Peak:m/z	Relative Intensity
55.01872	0.4
56.33019	0.2
57.03463	0.2
61.02924	0.4
65.03942	4.5
69.03426	1.0
70.06559	0.3
71.01361	0.4
71.06284	0.4
71.06604	0.3
81.07047	0.4
88.10358	0.2
92.07375	0.2
93.07030	0.3
95.04980	0.3
97.02893	0.4
103.03956	0.4
107.01303	0.3
111.04459	1.9
121.02873	100.0
121.03896	3.9
127.03922	0.4
139.03923	0.5
155.04929	0.8
163.03931	0.7
163.97739	0.2
176.08301	0.2
183.04382	0.8
187.03998	0.3
197.05997	0.2
201.05481	0.7
205.04915	0.3
207.10156	0.3
209.10333	0.3
211.03899	3.3
219.02824	0.2
225.05489	0.6
229.04959	2.3
239.03310	0.6
243.02995	0.3
253.04912	0.3
256.03827	0.5
257.04462	25.4
260.03253	0.6
261.03943	2.6
263.01959	0.2
265.06982	0.4
267.02841	1.5
271.06046	1.3
273.03931	10.9
274.04770	0.6
281.04462	0.3
283.08142	5.8
285.03943	57.8
287.02005	0.3
287.05444	0.4
295.06165	0.5
297.03918	0.9
298.04721	0.3
299.02094	0.3
299.05469	3.9
301.03311	0.5
303.04996	18.8
313.07211	0.7
323.05554	0.4
327.05005	6.0
335.09439	0.5
339.04971	2.1
341.06378	0.4
351.05087	1.3
357.05966	1.4
369.06158	4.2
379.08258	0.3
387.07083	2.7
405.08176	4.3
423.06979	4.2
525.10419	0.3
543.11725	1.8
543.24011	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	543.1137
Annotation	Muraxanthone
Peak:m/z	Relative Intensity
53.03916	0.4
55.01867	0.4
55.05507	0.6
56.96554	0.4
59.88139	0.3
65.03944	3.9
67.05503	1.2
69.03409	0.6
69.07083	0.5
71.04978	0.4
71.17142	0.4
71.17504	0.4
73.02892	0.5
79.05483	0.6
81.03413	1.3
81.07056	0.7
83.08646	0.6
85.02917	2.4
91.05478	0.7
93.03402	1.2
93.07037	1.0
95.04947	0.6
95.08601	0.7
97.02885	0.5
103.03932	3.5
105.07015	0.6
107.01315	0.4
107.08582	0.6
109.02820	0.4
109.10179	0.4
110.42680	0.4
111.04455	0.8
119.08589	0.7
121.02869	53.1
121.10183	0.3
123.23594	0.4
137.05891	0.3
139.03880	1.1
153.01830	1.1
161.04559	0.3
161.05963	0.5
163.03871	0.7
167.03441	1.0
187.03928	1.1
189.05583	0.4
201.05527	0.8
205.04936	0.5
211.03961	0.9
215.03389	1.0
217.04944	1.5
223.05959	1.6
223.39796	0.4
225.05528	0.6
227.03339	0.3
228.04173	1.9
228.89716	0.3
229.04944	1.3
231.02855	0.7
233.04456	3.3
235.02620	0.3
239.03438	0.8
243.02820	0.5
245.04428	2.9
246.05241	3.5
249.03922	1.2
253.05008	0.7
256.03683	2.7
257.04456	5.9
258.05142	0.5
260.03131	3.4
261.03949	5.2
267.02957	1.0
269.04474	1.1
271.06012	0.6
273.03940	32.1
274.04733	14.4
275.05515	1.3
276.99301	1.2
280.03745	0.4
281.04422	1.1
284.03195	0.6
285.03931	24.5
287.02435	0.6
287.05457	3.2
295.00369	0.6
295.06052	1.2
297.03995	1.9
298.04773	1.6
299.02048	0.6
299.05447	3.8
301.03391	1.3
301.06921	0.3
303.04990	100.0
309.04129	0.6
311.05203	0.5
313.03595	0.7
313.07004	4.4
315.04980	1.4
323.05478	1.5
325.03271	0.7
327.04980	19.1
341.06577	2.1
351.05042	4.9
357.06036	3.9
369.06094	8.1
387.07114	10.2
405.08182	26.2
423.09402	2.2
468.90121	0.4
507.09079	2.2
525.10229	6.7
543.10602	0.8
543.22864	0.6
543.31073	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.1136
Annotation	Muraxanthone
Peak:m/z	Relative Intensity
55.01868	0.5
65.03609	0.3
65.03941	4.9
68.99801	0.5
69.03427	0.4
69.37095	0.5
69.37511	1.0
71.01334	0.2
79.01849	0.4
81.03403	0.5
85.02906	1.4
91.05478	0.3
93.03379	0.4
95.04964	0.6
97.02900	0.3
103.03956	0.9
109.02862	0.6
111.04459	2.4
121.02869	100.0
121.03890	3.5
122.03192	0.3
139.03914	0.8
153.01839	0.7
155.04953	0.3
163.03917	0.7
167.03423	0.5
171.04373	0.3
175.03964	0.3
177.05466	0.3
181.04993	0.5
187.03902	0.9
199.04033	0.2
201.05467	0.4
203.03513	0.3
205.04997	0.4
211.03934	0.6
213.05559	0.2
215.03415	0.8
217.04947	1.4
223.05972	1.3
225.05418	0.4
228.04121	1.0
229.04961	0.8
231.02902	0.8
232.03506	0.2
233.04462	3.1
239.03362	0.9
243.02872	0.5
244.03621	0.2
245.04462	2.3
246.05251	2.1
249.03920	0.8
253.05020	0.4
256.03662	2.4
257.04407	3.2
258.05029	0.2
260.03250	1.5
261.03918	2.0
267.02945	0.7
269.04471	0.6
271.05997	0.7
273.03937	20.3
274.04730	9.9
275.05573	0.4
281.04474	0.9
285.03934	14.0
287.02200	0.4
287.05453	2.4
288.02512	0.2
295.06015	1.3
297.03888	1.2
298.04730	0.6
299.02194	0.3
299.05472	2.6
301.03467	0.5
303.04987	63.0
304.05283	0.5
309.04047	0.5
311.05511	0.3
313.03391	0.6
313.07092	1.5
315.04999	0.9
323.05612	1.9
325.07224	0.2
327.04993	11.8
333.06009	0.5
341.06519	0.9
345.06165	0.6
351.04996	6.4
357.06171	1.1
368.07974	0.2
369.06055	6.2
387.07147	3.8
405.08170	9.0
423.09430	1.0
433.46103	0.2
489.08267	0.3
507.09476	1.1
525.10291	2.5
543.11340	8.7
543.23676	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	542.4265
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	2.4
57.07078	89.7
59.05001	19.5
64.31721	1.1
67.05499	3.1
69.07060	3.4
71.08633	85.4
73.06553	2.9
79.05492	2.6
81.03464	1.0
81.07065	3.2
83.08601	1.5
85.10187	75.3
87.04473	8.8
89.06035	100.0
90.37639	1.2
91.05467	1.3
93.07050	1.5
95.04993	1.3
95.08610	1.6
97.10152	2.2
98.20750	3.9
99.11742	8.7
103.07603	5.9
105.07063	1.5
107.07050	1.4
107.08607	1.2
117.09165	2.1
119.08646	1.2
130.08643	4.4
131.07076	4.8
133.08609	88.4
135.10228	1.0
141.16405	9.7
164.09264	1.1
175.09674	3.2
177.11224	32.8
190.27063	1.1
194.95918	1.0
199.20586	11.4
205.23193	1.1
221.13879	8.7
239.14973	3.6
243.23198	5.8
265.16461	1.9
283.17572	4.1
309.19046	4.0
326.00369	1.1
327.20139	39.1
367.23288	6.4
371.22418	1.1
385.24509	1.6
525.40253	10.0
542.35370	2.8
542.42444	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.226
Annotation	Unknow
Peak:m/z	Relative Intensity
67.17532	0.3
70.06586	1.3
71.52481	0.4
72.08143	1.1
84.08145	0.3
85.02898	0.4
95.05003	0.4
97.02906	0.4
97.07655	0.4
112.08722	0.3
114.10320	0.9
115.41050	0.3
121.02914	0.4
123.04453	1.0
136.11232	0.4
148.11160	0.4
149.99448	0.3
151.03940	0.9
187.78847	0.3
224.13744	0.4
232.09627	0.5
258.11270	0.7
269.09296	0.5
275.07492	0.7
284.12997	0.5
286.14352	2.1
303.17099	0.6
311.13977	1.4
328.16559	3.9
333.08026	0.4
335.09393	3.2
345.19189	2.0
389.18298	0.6
409.18204	0.6
451.19266	0.5
497.24033	2.3
541.22595	100.0
542.22809	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.335
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	0.3
57.07067	0.9
67.05499	0.6
71.08627	0.9
71.52430	0.3
73.02937	0.3
79.05477	0.3
81.03423	0.3
81.07050	0.9
82.25526	0.2
85.10188	0.3
88.07603	0.4
91.05502	0.3
93.07026	0.4
95.08629	0.7
102.09200	0.3
105.07043	0.3
107.08632	0.2
107.47911	0.2
109.10115	0.3
111.04430	0.5
114.94397	0.2
126.09875	0.2
134.40523	0.2
151.45201	0.2
209.11812	0.4
217.37360	0.2
227.08150	0.2
227.69955	0.2
256.26431	0.5
257.27011	0.3
311.29434	0.7
341.25317	0.2
523.39532	0.3
540.53772	1.0
541.33490	100.0
542.33783	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.3529
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02386	1.7
53.03952	7.5
55.01873	10.5
55.05515	17.9
57.03437	3.8
59.05017	1.4
65.03939	2.7
67.05510	41.3
68.99805	0.9
69.03432	3.9
69.07073	29.6
69.45370	1.0
70.63358	2.9
71.01353	1.2
71.04996	3.6
76.66711	0.9
79.05499	38.2
81.03423	70.1
81.07061	42.5
83.04995	7.9
83.08622	18.0
83.59914	1.0
85.06548	2.6
91.05487	55.6
93.07047	32.6
95.01331	11.2
95.04973	24.5
95.08613	28.7
97.02916	2.8
97.06538	15.4
97.10174	6.1
99.04401	1.1
99.08134	1.5
103.05481	2.3
105.04566	1.6
105.07040	52.8
107.04961	20.5
107.08606	16.0
109.06540	4.3
109.10159	8.2
110.43020	1.0
111.04455	2.1
111.08079	4.9
113.09661	1.8
115.05484	3.5
116.06297	0.9
117.07010	14.3
117.58266	0.9
119.04942	1.3
119.08585	35.5
121.06507	5.5
121.10152	11.0
123.04443	2.2
123.08091	4.6
123.11777	1.5
125.09666	4.1
128.06274	2.2
129.07030	12.7
130.07753	1.5
131.04916	1.5
131.08577	24.4
132.05859	1.0
133.06500	3.4
133.10136	31.7
135.08063	4.7
135.11679	5.4
137.09662	2.7
139.03981	1.0
141.07043	4.1
142.07817	4.2
143.08574	5.9
145.06512	2.9
145.10135	13.7
147.08113	3.6
147.11719	16.0
149.09628	9.4
149.13293	4.0
151.11284	1.6
152.37209	1.0
155.08594	4.1
157.10144	11.1
157.98329	1.0
159.08054	2.1
159.11702	10.2
161.09656	1.2
161.13304	4.6
163.11234	4.3
165.09189	2.2
167.08614	1.9
169.10185	4.0
171.08133	1.4
171.11711	6.0
173.09706	1.5
173.13319	3.9
175.11238	4.1
175.14873	1.1
177.12791	3.2
179.14323	12.7
181.10153	1.6
183.11720	5.1
185.09595	1.3
185.13298	3.7
187.11224	2.0
193.12256	10.2
195.11786	2.7
195.13733	1.3
197.13329	3.3
199.14792	1.4
205.12350	2.0
209.13348	1.7
213.16508	1.3
219.13969	1.4
221.13283	1.2
229.19557	2.2
239.18050	3.3
249.15027	1.9
257.19003	7.4
275.20090	69.8
293.21161	9.0
297.22284	2.1
329.21457	1.3
331.22720	2.6
349.23843	2.8
369.24573	1.3
398.29407	1.0
413.77408	1.0
430.44232	1.1
431.29636	2.3
449.30707	3.7
467.31589	4.3
517.94568	1.2
523.34381	6.7
541.35345	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	541.205
Annotation	Unknow
Peak:m/z	Relative Intensity
51.41071	0.5
53.03932	0.5
55.05496	0.5
56.96560	1.1
57.03427	0.5
59.04998	0.9
67.05488	1.7
69.03394	0.9
69.07062	0.8
70.06582	0.9
71.53027	1.1
72.08160	1.0
79.05502	1.1
81.03411	1.3
81.07037	1.8
84.95996	0.7
85.02892	1.9
85.06528	0.8
89.93615	0.5
91.05475	2.3
93.07020	1.6
95.04948	1.1
95.08600	1.4
97.02884	3.9
97.06548	1.3
97.07438	0.6
98.97584	4.5
105.07011	2.0
107.04937	0.6
107.08571	1.9
109.02842	0.8
109.10134	1.6
112.99123	0.8
116.98573	1.1
119.08552	0.8
121.06548	0.9
121.10132	0.9
123.04406	0.9
125.09593	0.9
129.06920	0.7
131.00179	0.7
131.08621	0.9
133.10133	0.8
139.03899	1.2
145.10135	0.9
151.03859	0.6
151.07541	0.6
157.10095	0.6
158.99626	0.7
163.03825	1.6
177.00699	0.6
191.02257	0.9
265.11099	3.5
283.12186	1.0
289.05322	1.1
290.05826	0.8
307.12302	1.5
361.23438	2.2
363.24899	2.4
379.24466	0.8
385.14957	0.7
387.16263	0.7
427.16663	3.1
437.18341	1.4
455.19653	1.1
497.21384	12.4
523.25385	0.8
541.20349	100.0
541.29370	19.9
542.20935	1.4
544.36560	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.208
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01593	0.2
51.02371	0.6
53.03949	0.2
55.01853	0.2
57.03440	2.6
59.04990	0.6
61.02922	0.3
67.05502	0.4
68.99805	0.2
69.03431	8.0
70.91684	0.3
73.02914	0.2
75.04475	0.2
78.03458	2.6
79.05510	0.1
81.03424	0.8
81.07044	0.7
83.04977	0.5
85.02907	6.5
87.04468	3.9
91.05461	0.1
93.07035	0.4
95.04964	0.3
95.08606	0.9
96.04491	100.0
97.02887	5.2
97.06508	0.2
99.04442	0.3
105.07032	0.3
107.08603	0.2
109.02882	7.8
109.10139	0.3
111.04472	0.4
115.03928	3.9
123.04426	2.4
123.08057	0.6
127.03930	0.4
133.04968	3.3
133.06506	0.2
135.11662	0.2
136.07576	1.7
143.70503	0.2
145.04977	0.4
151.07542	8.8
187.72209	0.1
228.72914	0.1
246.11258	14.8
294.98965	0.1
313.12589	0.2
357.72849	0.1
362.51901	0.2
378.15570	0.2
408.16522	35.4
409.16681	0.3
444.56656	0.2
462.64838	0.2
540.20563	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.2461
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.3
57.03421	1.4
61.02929	1.6
67.05496	2.3
69.03414	2.5
70.06572	1.2
70.58883	0.9
72.08135	1.0
79.05466	1.9
81.03401	1.9
81.07043	2.0
85.02897	5.0
86.09673	1.4
91.05476	5.8
91.05979	1.2
93.07014	1.2
95.04942	2.5
95.08610	1.9
97.02876	4.9
97.06503	1.7
98.21496	2.6
98.97579	1.8
103.05460	10.7
105.06970	1.2
106.04198	1.4
109.06541	1.3
109.10139	2.5
117.07012	3.8
119.04922	4.0
119.08607	1.2
121.06488	4.4
122.03598	1.2
129.06967	1.5
131.04939	17.6
133.06456	1.7
135.08052	1.2
135.11729	1.1
137.05981	30.1
145.06500	1.2
147.04448	1.6
149.05972	2.9
151.03943	1.2
151.07553	14.9
157.06522	1.9
161.05972	3.9
162.06760	2.4
163.03897	3.3
163.07545	41.4
165.06905	1.3
165.09175	1.1
167.07057	1.9
167.08618	1.0
175.03931	1.5
175.07483	5.9
177.05757	1.9
177.09109	100.0
181.04951	5.4
189.09119	3.8
191.07008	1.5
193.10152	1.2
195.08151	2.0
195.10153	3.6
203.10840	1.4
207.06485	1.6
209.07971	2.3
211.16847	1.2
221.09714	1.6
221.11703	18.9
227.10641	4.4
231.83072	1.1
235.08650	1.1
236.09396	1.1
237.10175	3.9
249.10187	3.0
250.11031	2.3
251.11855	5.7
252.12637	1.9
253.09602	5.7
253.12210	2.2
255.10214	3.0
256.10852	1.1
257.08200	1.3
265.09769	6.3
267.11136	1.5
277.09653	1.2
278.10477	4.6
279.08072	1.7
279.11292	8.5
280.12109	1.8
285.11172	1.7
287.12894	6.2
293.09134	1.2
293.12625	2.9
295.10709	3.4
295.13998	1.3
304.79150	1.1
307.10608	1.3
309.12448	1.8
311.13544	2.2
312.11005	4.2
313.14398	5.3
325.11795	5.1
327.13403	26.0
331.15384	20.9
335.10187	1.5
337.11624	1.7
339.13385	39.4
353.11200	3.8
367.08377	2.1
367.12915	33.9
368.13477	2.7
385.14090	1.9
399.15378	5.1
476.17834	2.2
508.20847	54.7
540.22900	10.2
540.30389	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.208
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	0.2
55.05515	0.3
56.96574	0.2
61.47398	0.2
65.03920	0.3
69.03435	0.5
69.24971	0.6
69.25392	1.1
70.06595	0.3
72.08152	0.3
79.38332	0.2
81.03398	0.3
81.07064	0.4
85.02907	0.3
87.08114	0.3
91.05484	0.6
93.03394	0.2
93.07049	0.2
95.04964	0.2
97.02895	100.0
98.03194	0.2
107.08558	0.3
109.10171	0.2
111.04476	0.2
112.03974	0.7
119.08625	0.3
121.02870	11.1
121.06527	0.5
122.09573	0.3
123.04443	0.2
125.11919	0.2
127.03930	0.3
131.91490	0.2
133.02846	0.5
134.33673	0.2
139.03928	1.2
139.26625	0.2
140.04251	0.3
151.03914	2.1
152.07025	0.2
158.08232	0.3
163.03951	0.4
177.05482	0.2
202.61708	0.2
205.11458	0.2
217.04974	8.6
221.08133	0.5
235.06030	6.5
253.07080	4.0
307.79327	0.2
397.11395	0.2
415.12637	0.2
508.20782	0.3
529.37103	0.2
540.19305	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.1903
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.5
53.58659	0.3
54.07502	0.3
55.01880	2.2
56.94494	0.3
65.03941	2.0
67.05498	0.9
71.25208	0.9
75.04479	2.1
77.03932	0.4
78.04721	2.3
79.05499	1.9
81.07060	0.3
82.04151	0.4
85.02914	2.7
89.03911	1.1
89.06038	0.8
91.05488	9.8
93.03416	9.9
93.07052	5.3
95.04987	3.0
97.02880	0.7
97.06540	1.8
103.05479	4.6
105.03394	0.7
105.04517	0.5
105.07049	0.9
106.04183	25.3
107.04971	1.8
108.05743	0.6
109.06471	0.7
117.03403	1.0
118.04156	0.5
119.04927	1.0
119.08569	0.4
121.06518	25.9
122.07251	0.5
123.04437	1.1
123.08066	0.6
125.05994	6.7
131.04916	1.6
132.71608	0.4
133.06487	0.7
134.03638	3.2
135.04384	1.0
135.08000	0.4
137.05975	3.1
138.06757	1.1
139.07550	2.6
145.02859	0.8
147.04434	0.5
148.05212	2.3
149.05995	39.8
151.03958	0.4
151.07564	2.0
152.08307	0.8
153.05478	1.4
153.09114	11.1
162.01305	0.5
163.03922	1.2
163.07527	1.1
165.05537	0.4
166.06313	1.1
167.07082	2.6
171.61575	0.4
177.05486	19.0
180.07870	0.4
181.08611	17.8
190.00905	0.5
191.06996	2.3
193.08623	0.4
195.06586	0.6
208.01851	0.5
208.09708	0.4
209.08105	100.0
222.27376	0.4
223.04239	6.1
268.31030	0.5
312.09082	0.8
338.57443	0.4
350.01382	0.4
387.14050	0.5
540.28400	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.208
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02364	0.7
53.03941	0.6
57.03442	4.6
59.05000	0.8
60.57744	0.4
61.02932	0.7
63.86833	0.4
65.03941	0.7
67.05486	0.9
69.03432	16.3
69.07089	0.4
69.26837	0.6
69.27243	2.6
73.02882	0.5
78.03444	2.2
79.05501	0.7
81.03427	2.0
83.04990	0.7
85.02910	14.7
87.04477	7.7
91.03992	0.4
91.05493	0.5
93.07050	0.4
95.04976	0.6
95.08614	4.1
95.22996	0.3
96.04494	100.0
97.02895	10.7
98.21500	0.9
99.04463	0.8
105.07045	1.3
107.04961	0.4
109.02885	12.5
109.06541	0.5
110.03712	0.5
111.04459	1.1
115.03928	6.8
123.04432	5.0
123.08073	5.2
124.07578	0.5
127.03960	1.8
133.04977	6.4
133.06509	0.6
136.07581	26.5
145.04945	1.3
151.07550	23.8
158.37210	0.3
237.19113	0.4
246.11266	39.7
272.34717	0.4
286.35803	0.4
327.13190	0.7
338.63251	0.4
408.16537	73.0
409.17197	0.5
475.27670	0.5
490.16418	0.5
508.20743	2.7
540.20831	1.5
540.28961	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.3943
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01604	1.2
50.29474	1.5
53.03928	2.7
55.01866	4.5
55.05509	23.9
57.03438	12.0
57.06793	2.7
57.07075	43.4
60.98295	1.3
67.05505	34.2
69.03429	2.1
69.07076	13.4
71.04976	4.2
71.08631	29.9
73.02912	2.2
79.05497	25.9
81.03416	2.5
81.07062	30.3
83.04984	8.5
83.08614	17.0
85.02922	3.1
85.10181	15.1
89.06015	1.7
91.05496	11.0
91.19405	1.3
93.07047	33.7
95.04963	5.9
95.08611	48.3
97.02880	4.1
97.06514	3.3
97.10182	10.1
99.04472	3.8
101.96229	1.4
103.07554	1.7
105.02292	1.4
105.07029	12.5
107.04949	8.4
107.08606	25.0
109.06516	2.3
109.10155	16.2
111.04447	5.3
111.08082	2.9
117.07011	8.9
119.08589	9.5
121.06507	6.5
121.10145	12.0
123.11713	2.7
125.06029	2.7
125.09629	5.2
129.06979	1.5
130.07790	2.8
131.08524	3.4
133.10117	4.6
135.11691	36.4
137.13214	2.6
139.07640	1.8
140.53299	1.4
143.08556	3.3
145.10118	26.7
151.11166	1.4
152.27176	1.4
153.12735	2.5
155.08600	3.1
163.11179	48.3
173.11784	1.8
181.10661	1.3
181.12204	9.7
183.11594	1.5
191.10712	2.8
199.13309	6.3
209.11699	6.5
227.12784	86.2
239.23737	4.4
257.24643	1.9
283.15408	51.3
301.66864	1.5
313.27362	100.0
447.32666	2.0
465.33755	1.7
467.37335	9.2
521.38403	64.2
539.38922	25.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.3945
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	12.5
56.43331	2.5
57.03434	10.5
57.06828	3.7
57.07079	44.2
61.53582	2.3
65.03946	2.5
67.05509	24.3
69.07062	9.1
70.19051	2.4
71.04994	5.1
71.08636	30.5
78.22788	2.4
79.05497	24.9
81.03432	3.8
81.07054	41.4
82.29853	2.3
83.04987	5.6
83.08632	17.4
85.10194	19.8
89.06020	3.0
91.05482	9.2
93.07053	33.7
95.04951	4.4
95.08614	52.1
97.02843	2.9
97.10172	7.9
99.04461	4.1
105.07039	7.7
107.04967	6.1
107.08601	30.6
109.06538	3.8
109.10159	13.2
117.07031	10.2
119.08570	9.5
121.06518	6.3
121.10141	11.3
123.11735	5.7
125.05977	2.5
126.08860	2.9
133.10152	3.5
135.10722	2.9
135.11700	45.3
145.10130	26.1
153.12573	2.3
163.11200	51.9
181.12245	9.2
209.11569	3.8
227.10533	5.0
227.12791	100.0
239.23714	3.6
283.15405	63.8
313.27377	95.0
330.63300	2.5
421.23666	2.8
437.20267	2.8
451.21179	5.3
491.95917	2.7
521.38379	66.7
539.26672	43.7
539.39838	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	539.3947
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	3.8
54.65925	1.6
55.01871	5.3
55.05508	20.5
57.03444	14.1
57.07080	57.4
61.02919	2.6
67.05508	39.0
69.03427	8.4
69.07075	20.7
71.04998	4.7
71.08635	39.8
71.37762	2.5
71.38123	2.0
72.94392	1.6
73.02907	6.2
79.05495	26.7
81.03426	9.0
81.07061	43.5
83.04978	7.5
83.08636	19.0
84.76593	1.6
85.02916	5.3
85.10190	20.6
89.06014	3.3
91.03946	1.9
91.05493	15.9
93.07048	32.9
95.04975	7.4
95.08609	56.3
97.02894	11.0
97.06535	3.8
97.10170	10.1
99.04432	6.7
105.07030	9.8
107.04952	10.3
107.08599	24.5
109.02884	8.1
109.06495	3.0
109.10162	18.5
111.04465	15.1
111.11785	1.9
117.07047	10.3
119.08601	9.1
121.06498	6.4
121.10143	12.5
123.11693	7.0
125.05987	3.6
125.09637	2.2
127.03934	5.0
130.07829	2.2
131.08629	2.7
132.99522	3.5
133.10165	4.4
135.08095	2.8
135.11693	39.5
143.08566	1.9
145.10124	30.0
146.30313	1.8
147.08049	2.2
153.12737	2.7
163.11192	46.8
173.09637	2.8
173.11510	1.7
181.12247	14.2
191.00108	5.1
191.10712	3.2
209.01137	2.4
209.11736	30.6
227.12791	91.8
239.23697	19.8
257.24948	2.9
283.15424	63.5
293.21243	2.1
313.27380	100.0
509.32211	2.2
521.38428	71.7
539.28534	11.4
539.39594	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	539.3194
Annotation	Unknow
Peak:m/z	Relative Intensity
51.82542	0.4
53.61491	0.4
54.68193	0.4
55.05511	3.2
57.03432	0.9
57.07076	6.2
67.05510	5.4
69.03432	0.8
69.07066	2.4
71.04983	0.5
71.08636	3.3
71.37936	0.6
74.62701	0.5
79.05482	3.9
81.03417	1.5
81.07061	5.6
83.04981	1.3
83.08620	2.5
84.15734	0.4
85.10185	1.4
86.09719	0.8
91.05482	2.9
93.07053	3.5
95.04979	0.6
95.08611	3.9
95.34406	0.4
97.02888	1.5
97.06524	0.6
97.10157	1.4
104.10766	1.0
105.07040	1.2
107.04955	0.7
107.08598	2.0
109.10175	2.2
111.04440	3.8
117.07084	0.7
119.08560	1.2
121.10177	1.6
123.11681	0.6
129.07034	0.5
131.00052	0.5
131.08546	0.9
133.10117	1.0
135.11693	0.8
145.10086	1.6
149.09566	0.5
163.11180	1.2
181.12244	0.5
184.07339	0.6
191.10614	0.7
209.11734	14.5
209.13670	0.8
227.12755	3.3
239.23639	1.0
255.10150	0.4
283.15448	5.9
313.27316	2.5
322.74628	0.5
356.43875	0.5
521.38513	3.5
538.82294	0.8
539.31970	100.0
539.39374	9.8
540.32281	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	538.3742
Annotation	Unknow
Peak:m/z	Relative Intensity
51.84309	1.4
53.03944	6.3
53.75060	1.4
55.01886	2.2
55.05516	16.7
57.03457	2.0
57.07080	7.7
59.04995	1.5
63.18744	1.7
67.05508	28.1
68.05843	1.3
69.07072	15.6
71.08618	5.5
71.53658	1.9
73.08363	1.9
75.80930	1.3
79.05493	47.9
80.62540	1.5
81.07060	31.1
83.04976	3.2
83.08621	8.3
85.10184	1.7
91.05479	23.8
93.07047	68.3
93.07641	3.3
95.04988	5.4
95.08606	20.0
97.06551	2.7
97.10172	3.6
105.07029	15.0
107.08605	37.2
109.06511	1.9
109.10152	12.0
111.04427	2.5
117.07011	5.3
119.08592	12.6
121.10143	31.6
123.08066	1.9
123.11722	2.4
125.09647	2.0
131.08594	4.0
133.10126	12.5
135.11696	31.5
145.10120	4.4
147.11684	6.1
148.27074	1.6
149.13292	14.6
151.11188	1.6
159.11748	3.2
161.13280	2.5
163.11194	3.7
163.14792	4.4
171.11752	2.9
173.13272	2.2
175.14803	3.1
181.12305	4.3
184.07349	2.4
185.13229	3.0
191.10602	1.9
195.13797	2.3
207.13774	2.5
209.11711	3.7
213.22508	1.8
227.12834	16.0
235.16930	3.8
241.19539	2.8
259.20465	2.9
275.20264	1.7
277.21640	100.0
313.27432	3.3
314.27692	2.3
538.38208	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	538.3868
Annotation	1-nonadecanoyl-sn-glycero-3-phosphocholine
Peak:m/z	Relative Intensity
55.05521	1.2
56.05030	1.9
56.76115	0.6
57.03420	1.2
57.07080	5.1
58.06610	1.6
60.08168	18.5
67.05492	2.4
69.07069	1.9
71.07370	5.6
71.08639	3.2
71.21721	1.1
71.31750	0.6
81.03413	1.4
81.07051	2.7
83.08624	1.6
85.10183	1.7
86.09710	51.5
95.08610	3.5
97.10164	1.2
98.98489	3.6
104.10748	100.0
112.08580	0.8
125.00011	27.6
131.26849	0.7
163.01604	0.7
165.93846	0.6
184.07346	99.8
196.68425	0.6
211.68037	0.7
213.52390	0.6
225.11252	0.6
258.11075	1.4
267.26871	1.2
268.16318	0.9
328.29251	1.5
341.30536	5.4
355.32401	0.8
491.60226	0.6
520.37592	9.7
538.38727	48.7
539.38916	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	538.3953
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05519	5.2
57.03441	3.6
57.07077	39.6
61.02928	3.4
67.05504	12.5
69.03421	0.7
69.07066	8.3
69.24875	2.0
69.25291	3.5
70.71321	0.6
71.08632	29.6
73.02901	0.9
73.98656	0.6
75.04472	2.1
75.28458	0.6
79.05495	1.4
81.03377	0.8
81.07054	15.3
83.08160	0.8
83.08617	9.1
85.02892	2.1
85.06567	0.8
85.10182	14.3
86.09698	1.2
91.03949	0.6
93.07021	0.8
95.08605	25.1
97.02876	1.4
97.10173	10.2
99.11717	1.5
104.10732	2.6
109.10159	10.7
111.11719	4.5
113.13240	0.9
123.11709	5.0
125.13249	0.9
125.16547	0.7
127.03949	0.8
137.13260	1.8
145.04993	0.7
165.16441	0.7
173.14330	0.6
182.65215	0.6
184.07298	1.8
186.87410	0.6
190.36496	0.6
197.23021	0.7
249.25882	1.9
263.13855	0.6
267.18015	0.8
267.26837	29.7
285.27878	4.3
341.30508	100.0
359.31583	17.9
429.32086	1.7
538.38434	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.3193
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	1.1
55.01868	1.3
55.05511	5.8
57.03415	2.1
57.07080	3.9
60.87572	0.6
67.05508	12.0
69.07069	5.8
69.37731	2.5
69.38158	3.0
71.08624	2.6
79.05493	9.0
81.03430	0.9
81.07056	10.4
83.04967	1.7
83.08610	3.6
85.10178	1.5
86.09731	1.7
91.05484	8.9
93.07043	6.7
95.04972	1.3
95.08607	9.0
97.06504	0.9
97.10167	1.8
98.97554	1.0
100.34160	0.7
104.10735	1.6
105.07034	8.9
107.04948	1.5
107.08598	5.7
109.06490	1.1
109.10166	4.5
111.04420	0.9
111.08105	0.8
117.07024	4.1
119.08576	6.0
120.69502	0.7
121.10105	2.5
123.08072	1.2
123.11696	1.2
125.00031	0.9
125.09662	1.0
128.06236	0.8
129.06969	3.7
131.08574	5.3
133.10094	3.4
135.11678	2.6
141.07001	1.7
143.08554	5.5
145.10144	4.5
147.11674	3.4
155.08551	3.9
157.10175	3.4
159.11668	3.2
161.13313	1.0
163.11176	1.3
165.06979	0.9
167.08586	2.3
169.10133	6.0
171.11716	4.7
173.09569	0.8
173.13382	0.9
177.00677	1.2
179.08568	1.4
181.10115	4.4
183.11688	4.3
183.68195	0.7
184.07323	3.1
185.13252	2.2
190.23030	0.7
193.10098	1.3
195.11661	3.6
197.13239	3.0
199.14854	1.9
207.11682	1.8
207.13554	1.0
209.11705	4.3
209.13406	1.5
211.14804	2.4
221.13330	1.3
223.14807	2.3
225.16437	1.2
227.12778	2.2
235.14919	0.9
239.23671	0.7
249.16530	0.8
259.20566	1.0
283.15350	3.1
309.22021	1.2
313.21332	0.7
313.27460	2.0
315.22986	1.1
337.20740	0.7
339.23007	1.4
419.33151	0.9
429.31339	1.6
447.32547	6.7
465.33514	3.2
483.34668	1.9
521.36652	5.7
538.81891	1.7
539.31689	100.0
539.38062	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	538.2861
Annotation	Unknow
Peak:m/z	Relative Intensity
52.34260	0.7
55.01865	0.8
55.05510	1.6
57.03437	8.7
59.04985	2.1
61.02905	0.9
67.05497	1.5
69.03430	27.5
69.07059	2.4
70.06594	1.5
70.49589	0.7
71.04983	2.2
71.09214	1.2
71.09566	1.4
79.05496	3.3
81.03425	1.7
81.07065	5.6
83.04967	1.6
83.08604	2.4
85.02901	22.4
85.06525	1.6
86.09694	0.7
87.04467	19.3
91.05468	2.9
93.07062	4.2
95.04953	6.0
95.08598	3.8
97.02893	27.2
97.06526	14.6
98.97617	0.9
99.04453	3.6
99.08068	1.8
105.07040	8.5
107.08588	9.2
109.02889	1.2
109.05807	1.5
109.06510	23.2
109.10173	6.1
111.08069	2.4
113.06026	0.8
113.09628	1.4
115.03929	35.2
115.07564	7.6
117.07022	0.9
119.08591	6.3
121.10146	11.9
123.04386	0.8
123.08073	1.7
123.11659	1.8
125.06016	0.7
125.09573	1.4
127.03938	2.1
127.07572	1.7
131.08551	6.1
131.45215	0.7
133.04964	30.8
133.10130	28.3
135.08035	4.1
135.11678	1.5
137.05978	5.2
139.03906	0.9
139.11185	1.1
145.04982	3.2
145.10124	2.7
147.11691	17.4
149.09628	1.7
149.13290	4.0
151.11145	2.2
153.09108	11.5
158.10886	1.4
161.05934	0.7
163.03877	1.9
163.11176	1.3
163.14813	3.1
165.12755	2.3
167.14291	1.0
171.10205	0.9
173.13258	16.1
173.14705	1.2
175.07568	1.0
191.14297	21.5
209.15367	59.7
225.15054	0.7
227.16417	100.0
241.07164	0.9
259.08136	2.4
277.09241	2.2
277.69891	0.8
295.10233	3.9
311.12741	0.9
323.12540	1.0
339.90567	0.8
389.21545	1.5
475.31476	4.0
538.19397	1.4
538.31012	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	537.415
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	6.8
55.01854	3.0
55.05513	17.8
57.03437	13.9
57.07077	35.2
65.03944	2.1
67.05505	45.8
69.07063	17.6
69.51508	13.8
71.04996	2.8
71.08641	23.7
72.79423	1.9
75.36192	1.8
79.05499	61.4
80.45758	2.1
81.03413	6.3
81.07057	44.8
83.05000	13.5
83.08642	11.1
83.85806	2.1
85.06535	3.7
85.10185	13.2
89.06060	2.2
91.05486	38.5
93.07045	52.4
95.04980	15.0
95.08611	41.1
97.06587	2.6
97.10158	6.4
100.27522	2.0
105.04517	2.9
105.07039	27.9
107.04925	2.8
107.08606	13.2
109.06508	5.9
109.10148	10.8
117.06994	6.2
119.08571	14.3
121.06483	3.0
121.10151	4.3
123.08086	6.1
123.11718	4.4
129.07024	15.7
131.08536	2.5
131.24529	2.0
133.10135	9.1
135.11644	3.3
143.08537	6.1
145.10144	6.4
147.11711	29.0
151.11404	2.2
161.09648	4.4
161.13264	10.6
163.11354	2.6
169.23433	2.3
171.11676	21.9
189.12810	10.2
207.13815	29.1
225.14919	3.5
239.23679	6.0
255.55336	2.1
277.80994	1.9
277.84088	2.3
281.17496	100.0
313.27368	47.2
413.03891	2.6
519.40448	94.8
537.37878	7.5
550.40912	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	538.2861
Annotation	Unknow
Peak:m/z	Relative Intensity
52.19923	1.2
55.05517	10.6
57.03431	7.7
57.07064	2.5
59.05000	2.4
67.05520	6.8
69.03429	23.5
69.07053	3.2
70.04279	6.4
70.06583	6.2
71.04988	3.1
79.05479	6.2
81.07062	17.0
83.04978	15.3
83.08624	8.4
85.02914	17.6
85.06541	5.7
87.04462	17.8
91.05476	5.9
93.07059	8.7
95.04986	11.9
95.08622	9.4
97.02894	20.7
97.06532	10.2
98.97542	2.3
99.04491	3.5
105.07035	9.8
107.08595	18.1
109.06522	17.7
109.09480	2.0
109.10162	27.2
111.00848	1.4
111.08087	3.8
113.05943	1.4
115.03934	24.7
115.07545	4.7
118.99713	1.5
119.08578	6.6
121.06494	2.1
121.10138	15.7
123.08101	7.2
123.11714	7.2
125.09624	4.2
127.03966	1.6
131.08595	7.5
133.04984	22.2
133.09128	1.8
133.10130	34.0
135.08052	5.0
135.11671	2.8
139.11157	3.9
145.04971	3.0
145.10133	4.8
146.95566	1.4
147.11694	8.9
149.09630	2.7
149.13258	7.9
150.07584	2.1
151.11186	13.3
153.09171	9.7
158.10873	3.4
163.14824	5.8
165.12756	4.9
167.14323	15.4
169.12222	4.4
171.10112	1.9
173.13287	18.7
175.14844	6.6
177.05418	1.4
181.12268	2.1
181.15781	1.4
191.14334	21.2
209.15373	100.0
212.73048	1.4
227.16417	22.3
236.91716	1.3
241.07306	1.6
259.08041	1.5
277.09357	2.0
279.09988	3.1
294.39664	1.6
295.10382	1.8
341.19354	5.4
371.20230	1.7
472.19763	1.8
538.21606	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	538.2861
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	1.2
57.03442	8.5
59.05009	2.1
67.05508	1.8
69.03432	23.3
69.07058	2.6
70.06595	6.6
71.04991	3.0
71.52775	1.6
73.02923	0.8
79.05505	2.3
81.03429	1.6
81.07058	4.2
83.04990	2.0
83.08632	1.4
85.02905	18.3
85.06573	1.8
87.04472	15.5
91.05456	2.7
93.07056	4.7
95.04975	12.2
95.08601	3.3
97.02895	28.0
97.06527	5.4
99.04451	3.1
99.08105	2.3
103.70766	0.7
105.07030	5.1
106.02901	1.0
107.08610	7.1
109.02907	1.2
109.06512	9.5
109.10167	3.4
111.08092	1.9
115.03931	25.7
115.07565	1.0
119.08578	3.9
121.06489	2.0
121.10160	8.5
123.04438	1.2
123.08055	2.2
123.11730	1.2
125.09639	3.2
127.03936	2.4
131.08565	3.2
133.04971	23.4
133.10141	14.2
135.04465	0.9
135.08066	2.3
135.11699	3.0
137.09610	1.7
139.11192	1.8
145.04948	2.8
145.10088	1.5
147.11681	17.5
147.12811	1.5
149.09602	1.1
149.13240	2.1
151.03987	0.8
151.11163	2.0
153.09126	7.3
163.03891	3.1
163.14848	2.4
165.12672	4.3
169.04932	1.4
171.10173	3.3
173.13274	6.6
177.05440	1.2
191.14330	10.0
209.15370	30.9
220.06096	0.9
227.16423	100.0
241.07027	0.9
259.08112	2.3
277.09134	0.9
287.89813	0.9
295.10294	2.5
296.12241	0.8
303.04929	2.9
337.91721	0.8
369.85425	0.8
376.24805	7.2
389.21771	1.8
508.19751	0.9
559.20605	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	536.3349
Annotation	Unknow
Peak:m/z	Relative Intensity
50.32673	0.1
55.05478	0.2
56.05030	0.6
58.06387	0.1
58.06628	0.4
60.08166	5.7
66.20596	0.2
67.05502	0.7
71.07378	3.1
71.22157	0.3
79.05496	0.3
81.07056	0.7
86.09708	30.4
93.07052	0.4
95.08602	0.3
96.74739	0.2
98.98466	2.3
104.10754	3.2
105.07127	0.2
107.08617	0.3
119.08601	0.2
121.10177	0.2
125.00008	20.5
125.55575	0.2
143.01080	0.2
145.10056	0.1
171.06903	0.2
184.07343	100.0
230.98991	0.1
238.21722	0.2
321.46341	0.2
354.24960	0.2
500.31458	1.1
516.33838	0.2
518.32489	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	536.3797
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.3
53.98316	0.9
55.05513	33.9
57.03438	6.9
57.06839	1.5
57.07081	17.0
59.04988	1.6
60.08154	1.8
61.02925	5.8
64.67586	0.7
67.05508	39.5
69.03429	1.8
69.07070	53.7
69.72665	3.2
69.73092	2.7
71.04974	1.7
71.08635	11.0
73.02902	1.2
75.04498	2.4
79.05493	14.3
81.03389	1.2
81.07059	49.9
83.08617	38.3
83.08995	0.6
83.09118	1.3
85.02904	5.8
85.06544	3.1
85.10170	6.6
88.86532	0.8
91.03954	1.7
91.05465	2.4
93.07044	21.2
95.08611	51.7
97.02885	2.2
97.06547	8.3
97.10178	24.7
99.08107	1.8
104.10749	1.6
105.07028	1.8
107.08595	15.1
109.10155	25.9
111.08080	5.6
111.11721	9.8
113.09621	1.8
115.07639	1.1
121.10143	36.7
123.11727	9.0
123.19540	1.1
125.09636	3.6
125.13284	2.0
135.11693	28.2
137.13264	3.8
139.11165	3.0
145.04922	1.2
149.13254	12.6
151.14842	4.9
153.12711	1.3
163.14835	6.0
165.16406	4.4
177.16376	2.3
184.07375	2.5
191.17966	2.4
205.19492	1.6
209.18938	1.5
247.24231	38.5
262.26105	1.0
265.25275	100.0
283.26349	15.3
299.06174	2.9
339.28949	87.5
357.30011	32.3
391.28098	1.1
409.29364	1.5
427.30478	1.1
536.32410	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	537.4152
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	6.7
55.01863	2.5
55.05514	18.5
57.03436	12.7
57.07077	35.3
65.03925	3.1
67.05176	3.5
67.05508	42.6
69.07073	16.7
69.71711	2.9
69.72107	10.1
71.04987	1.9
71.08620	24.7
79.05495	65.7
81.03402	7.3
81.06595	3.4
81.07059	49.8
83.04979	8.9
83.08627	12.8
85.06529	3.1
85.10188	13.9
89.06020	2.3
91.05486	39.0
93.06488	3.7
93.07046	56.0
95.04957	13.2
95.08613	35.6
97.06532	3.0
97.10149	5.3
105.07027	33.0
107.04944	5.4
107.08592	13.6
109.06543	4.8
109.10167	11.9
117.07011	10.1
117.18098	2.2
119.08574	19.0
121.10141	5.1
123.11648	2.9
129.07008	13.2
131.08578	3.2
133.10141	9.5
143.08589	8.4
145.10104	7.6
147.11693	30.0
151.54239	1.9
161.09692	2.4
161.13252	8.3
171.11673	27.6
175.11305	2.1
189.12732	7.8
207.13783	35.0
225.14684	3.6
233.95340	2.1
239.23592	3.6
265.14880	2.0
281.17459	63.7
313.27362	72.4
341.63101	2.0
519.40497	100.0
537.37817	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	536.2707
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02394	0.4
53.03941	0.9
54.61440	0.4
55.05524	1.0
56.96559	3.0
57.03444	4.4
59.04992	0.7
63.02358	0.5
67.05526	1.1
69.03436	16.1
69.07043	0.5
69.38178	0.9
69.38572	3.6
70.06583	2.1
71.04974	0.9
72.08185	0.6
75.04494	0.5
79.05488	1.8
81.03400	0.7
81.07053	1.4
83.04986	1.7
84.04503	0.7
85.02911	10.9
85.03433	0.6
87.03949	0.6
87.04475	9.7
89.03410	0.9
89.03925	10.1
89.06020	0.6
91.05448	1.3
93.07018	1.3
95.04973	1.8
95.08601	2.2
97.02899	13.8
97.06531	1.0
97.09455	0.4
98.97575	0.6
99.08098	1.2
103.05418	0.6
105.07051	1.0
107.04955	2.1
107.08568	0.9
109.06521	2.8
109.10184	0.7
110.01546	0.4
111.04456	1.8
115.03937	15.2
116.07146	0.6
117.03388	9.5
119.04971	0.5
119.08588	0.8
120.58044	0.4
121.06530	1.8
121.10133	3.0
123.08074	100.0
124.99141	1.1
125.09637	0.9
127.03920	1.2
133.04974	15.7
133.06496	1.1
135.04436	15.2
135.11722	1.1
136.04791	0.6
137.05959	0.6
137.09657	0.6
143.00185	0.7
145.02855	8.9
145.04004	0.5
145.04976	1.4
145.10161	0.7
146.03188	0.6
147.08070	1.2
147.11798	0.5
149.05978	0.7
149.09634	2.3
150.05528	0.5
150.07640	1.5
151.07584	1.1
151.11183	1.1
152.98659	0.6
161.01257	0.7
161.05988	7.0
163.03914	59.7
163.11206	1.5
164.04272	4.2
165.05576	0.9
167.10689	1.4
175.07590	1.3
176.08336	24.7
177.05501	1.4
177.09079	1.5
181.12247	15.8
183.66599	0.5
189.12724	0.7
191.07089	0.5
192.07805	0.8
193.01665	1.2
203.02225	0.6
207.10176	39.9
207.13530	4.4
213.00703	0.9
218.99643	3.4
219.10176	0.6
225.14870	44.3
237.00706	11.7
238.01137	0.7
255.01799	7.7
259.08386	1.0
260.02469	0.5
273.02802	3.9
277.09094	0.5
295.10339	0.7
325.16583	1.3
335.59357	0.6
357.19232	1.0
375.03827	1.0
386.09668	0.5
387.20151	0.7
393.04987	1.9
411.06052	1.8
429.06976	1.4
536.21423	0.9
536.28949	0.5
555.08301	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	535.2367
Annotation	Unknow
Peak:m/z	Relative Intensity
57.06989	0.3
58.81557	0.3
58.92936	0.2
62.11987	0.3
62.18407	0.2
67.05417	0.4
69.03350	0.4
69.03811	0.2
69.56239	0.2
70.69527	0.6
71.04913	0.4
81.06967	0.5
85.02762	1.0
87.07975	1.5
91.05380	0.5
93.06944	0.5
95.04849	0.4
95.08514	0.3
97.02744	0.8
97.03326	0.3
105.06888	0.4
107.04923	0.3
109.10046	0.4
123.04340	0.5
135.04254	0.4
145.10014	0.3
147.04285	0.3
163.03908	1.4
164.39598	0.2
177.05328	0.3
185.04131	0.5
203.05090	0.7
204.06416	0.3
232.09653	0.4
245.04298	0.4
257.04367	0.6
258.05084	0.5
259.07916	0.5
269.13577	1.7
271.05920	1.0
273.03781	0.4
276.02609	0.3
285.03891	0.4
287.01852	0.5
287.05258	0.5
288.02509	0.4
289.03384	1.1
290.04111	0.7
299.05612	0.3
303.04871	1.0
313.17990	1.0
327.04819	0.3
342.03592	0.4
365.08823	0.3
369.06311	0.3
383.11362	1.2
385.09155	0.8
415.09937	0.3
431.18906	100.0
432.19272	0.7
439.10318	0.4
481.11450	0.3
489.23404	0.5
499.12463	0.3
517.15759	0.3
517.22363	1.5
535.23547	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	536.2345
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12049	0.4
51.11862	0.4
55.01851	0.6
55.05511	0.5
56.96579	0.6
57.03434	2.7
59.04996	0.7
61.02939	0.5
67.05500	1.2
69.03084	0.7
69.03432	9.5
70.06588	1.8
70.83662	1.2
71.05004	0.9
71.33015	0.4
72.08143	0.6
78.33434	0.4
79.62767	0.5
81.03401	0.5
81.07062	0.6
83.04983	0.9
85.02439	0.5
85.02908	6.8
87.04469	4.3
89.03916	2.5
89.05996	0.5
91.03960	0.5
91.05474	1.3
93.07036	0.8
95.04952	0.9
95.08606	1.0
96.74095	0.5
97.02897	8.4
97.06540	0.9
98.97581	0.5
99.08127	0.8
103.05466	0.6
105.03379	0.5
105.07030	1.7
107.04951	0.6
107.08585	0.6
109.06532	1.7
111.04436	1.2
115.03167	0.7
115.03940	9.6
115.05460	1.4
117.03393	2.4
117.07087	0.5
119.08582	0.8
119.16078	0.4
121.06490	2.0
121.10143	1.5
123.04439	1.7
123.08070	50.3
127.03936	0.7
131.04958	0.8
132.05750	0.6
133.04984	9.1
133.06491	4.3
135.04407	3.1
137.05946	0.6
137.09593	0.6
141.05356	0.5
145.02852	2.6
145.04956	1.0
145.06480	1.6
146.07242	0.8
147.04433	1.0
147.08031	1.9
149.05969	1.3
149.09601	1.4
150.07603	1.9
151.07555	3.1
151.11220	0.8
161.04623	1.0
161.05981	18.1
162.06700	0.8
163.03906	14.9
163.07503	1.6
163.11206	1.1
164.04239	1.5
165.05475	4.9
167.10779	0.5
175.07553	4.8
176.08331	65.9
177.05446	3.7
177.09108	4.4
178.09869	0.7
179.10713	1.1
181.12215	7.3
189.12794	0.7
191.07033	0.7
192.07790	4.1
207.10172	100.0
209.11720	1.0
210.62039	0.5
218.99615	1.1
223.06145	0.5
225.14864	22.3
237.00748	2.6
255.01776	1.5
259.08121	0.8
273.02899	1.2
285.35782	0.4
295.10181	0.6
299.06305	0.6
317.10135	2.4
326.26804	0.6
374.23340	1.4
376.97614	0.4
429.06885	0.7
434.34933	0.5
555.08209	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.2364
Annotation	Unknow
Peak:m/z	Relative Intensity
57.99433	0.3
61.02918	0.3
61.47809	0.3
67.05488	0.5
67.12053	0.3
69.03435	0.4
71.26208	0.5
81.03395	0.3
81.07078	0.5
85.02890	0.5
91.05489	0.5
97.02880	0.3
97.06510	0.4
105.07000	0.5
109.10179	0.4
115.05441	0.4
123.04458	0.3
137.06039	0.3
139.04019	0.3
147.04417	0.5
149.07336	0.3
161.13280	0.4
163.03946	1.2
177.05411	0.5
185.04260	0.5
195.80049	0.3
241.39409	0.3
269.13580	2.2
281.51822	0.3
331.13672	0.3
340.71637	0.3
373.18280	0.4
383.11014	0.6
431.18890	100.0
432.19345	0.5
499.30692	0.6
514.46002	0.3
517.22699	0.7
535.23553	7.9
535.30957	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.236
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01936	0.3
55.05555	0.5
55.86720	0.3
57.07121	0.5
61.02988	0.5
61.94004	0.3
69.03487	0.4
69.55358	0.6
69.55766	1.4
70.06647	0.7
72.08205	0.5
73.12197	0.4
79.05539	0.4
81.03477	0.7
81.07127	0.6
83.05054	0.4
84.08214	0.3
85.03005	1.2
86.09790	0.5
87.08203	4.7
91.05535	0.4
95.08691	0.6
97.06607	0.5
98.97627	0.4
99.04547	0.3
107.05052	0.4
107.08664	0.6
109.02958	0.3
109.10239	0.5
117.03484	0.4
119.08654	0.4
121.10226	0.6
122.06158	0.7
123.04537	0.7
123.11806	0.3
127.03980	0.5
133.10217	0.3
135.04469	0.4
137.06017	0.7
139.04099	0.4
145.03000	0.6
145.05063	0.3
147.04489	0.6
151.04059	0.4
163.03917	2.9
165.05589	0.5
177.05560	0.4
185.04274	0.3
188.25301	0.3
201.05426	0.4
203.05382	1.4
221.11899	0.7
235.06120	0.4
251.12799	0.4
257.04688	0.6
258.05301	0.4
259.08099	0.7
269.13620	1.4
271.06122	0.6
287.05515	3.2
303.05109	0.5
303.08615	0.6
307.67520	0.3
317.10300	0.9
337.10071	0.4
341.11264	0.4
383.11319	0.7
426.11914	0.3
431.18896	100.0
432.19232	0.7
457.20447	0.9
489.22690	0.5
514.10522	0.3
517.22668	0.7
535.21741	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	535.2155
Annotation	Unknow
Peak:m/z	Relative Intensity
51.96323	0.4
55.01847	0.5
56.96558	0.7
57.30604	0.5
59.04987	0.6
67.05508	0.6
69.03431	0.9
69.07027	0.5
69.86053	2.4
70.06593	1.3
71.04999	0.5
72.08148	0.9
74.44964	0.4
79.05505	1.1
81.03413	1.3
83.04972	0.5
85.02921	1.6
85.06509	0.5
89.03912	1.5
89.06022	0.7
91.05479	1.5
93.07080	0.6
95.04952	1.0
95.08614	1.2
97.02888	4.1
97.06524	1.0
97.46919	0.5
98.03221	0.7
98.20860	1.1
98.97568	0.8
99.08101	1.1
105.07035	1.1
107.04964	0.6
107.08611	0.8
109.06553	0.5
109.10116	1.2
117.03405	1.5
119.04920	0.5
119.08617	0.6
121.06499	0.7
121.10164	0.6
123.04432	1.1
123.11726	0.6
133.06079	0.6
133.10150	0.7
135.04381	2.6
135.11671	0.6
137.02361	0.7
137.05954	1.1
139.03893	0.9
145.02855	1.5
145.62578	0.5
151.03848	0.6
153.01913	0.5
161.05978	0.8
163.03914	15.5
164.04265	0.9
177.05429	0.9
181.04994	5.0
189.05569	0.8
193.04964	0.7
193.15900	0.7
207.08740	0.7
211.17143	0.8
241.08658	0.6
243.08807	0.9
246.96048	0.4
250.10365	0.5
259.10187	0.5
267.09198	0.7
271.06094	1.2
285.03784	0.8
285.10025	1.1
287.05542	1.5
373.22009	0.8
403.13776	0.6
485.16986	0.7
535.21527	100.0
536.21826	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.2153
Annotation	Thr Tyr His Asp
Peak:m/z	Relative Intensity
55.01874	0.4
55.05500	0.4
56.96547	0.3
57.81742	0.3
61.69995	0.3
67.05473	0.6
69.03440	0.7
69.07047	0.5
70.06591	1.0
71.04980	0.5
71.52896	0.5
72.08150	0.3
77.91852	0.3
79.05504	0.6
80.03625	0.3
81.03417	0.7
81.07055	0.5
83.04968	0.7
84.08125	0.5
85.02896	0.9
86.09708	0.9
87.05573	0.4
89.03921	0.7
91.05472	0.7
93.07034	0.8
95.04983	0.5
95.08620	0.5
97.02910	1.5
97.06567	0.3
97.10204	0.5
98.97582	0.7
100.82671	0.3
105.07030	0.6
107.08629	0.3
109.06494	0.5
109.10168	1.6
110.07141	0.4
117.03400	0.9
119.04906	0.4
119.08568	0.3
121.06508	0.3
121.10101	0.4
123.04438	0.9
127.03886	0.5
131.00198	0.3
131.08527	0.4
133.06110	1.0
133.10139	0.5
135.04407	1.2
135.11731	0.8
137.02240	0.3
137.09619	1.0
145.02882	1.4
147.04422	0.5
148.34784	0.3
151.03932	0.3
151.30945	0.3
163.03917	5.6
164.04286	0.6
167.07039	2.1
168.07359	1.3
175.04012	0.3
175.07558	0.7
175.14816	0.3
177.05479	0.7
181.04918	0.4
193.15918	1.6
205.71593	0.3
207.06526	0.5
211.16927	0.8
258.05264	0.5
267.09216	0.5
271.05951	0.8
285.10086	0.7
287.05527	6.4
365.08411	4.4
383.11368	0.9
439.23825	0.3
485.17062	0.5
524.61041	0.3
535.21515	100.0
536.21588	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.2014
Annotation	Unknow
Peak:m/z	Relative Intensity
52.48824	2.5
53.03938	4.4
55.01872	4.5
57.03429	4.7
57.07081	23.5
61.02914	3.4
65.03928	4.2
67.05518	5.1
68.84869	2.6
69.03418	4.8
69.18018	5.5
69.18420	23.3
70.06598	4.8
72.08130	3.5
73.02931	2.7
79.05499	3.2
81.03408	7.5
81.07075	3.5
83.04959	3.6
85.02910	15.2
85.06550	14.3
86.09700	4.0
89.03913	9.1
91.05469	7.5
93.07072	2.5
95.04969	7.0
95.08572	3.3
97.02878	9.6
99.04432	3.0
103.03900	2.7
105.07052	3.8
107.04968	4.2
107.08584	3.4
109.02868	4.3
109.06541	3.1
110.03639	2.5
117.03365	9.7
119.08582	3.0
121.02834	6.3
123.04464	6.0
132.62079	3.8
135.04422	17.0
138.64110	2.6
145.02861	13.2
145.06480	4.0
145.10068	3.1
147.04425	6.2
151.03918	4.0
153.05518	4.5
155.46584	2.7
157.06543	4.1
161.06018	4.0
163.03915	100.0
165.05540	5.7
165.06905	2.7
171.04407	5.7
173.06038	4.2
175.03891	9.2
175.07545	4.5
177.05481	6.6
181.04980	53.7
183.08171	3.0
185.05933	5.4
185.09511	3.5
187.03816	3.0
187.07504	4.1
189.05452	10.4
189.09142	2.8
191.03386	5.3
193.04942	3.3
197.09624	3.0
199.03964	3.7
199.07513	3.8
201.05455	6.7
201.09077	5.5
203.07043	3.0
205.08571	2.9
211.07571	4.8
211.09511	2.9
213.05492	8.2
213.09109	4.7
215.07024	3.9
217.04962	8.5
217.08571	7.2
219.10107	3.4
223.07581	4.1
223.09639	6.8
227.07111	3.2
227.10660	3.4
229.05005	5.7
229.08536	8.9
231.06566	2.8
235.09706	15.5
237.00806	2.7
241.04980	5.2
241.08646	7.1
243.06468	5.6
243.10173	5.0
247.09697	14.6
254.09236	2.5
255.10129	7.4
257.08237	2.8
259.05884	4.5
259.09711	18.8
261.07568	5.2
263.09149	9.9
265.10718	20.6
269.07947	3.1
271.06229	3.4
271.09692	9.1
273.11203	4.8
277.10748	19.2
281.08243	2.6
283.09637	10.9
285.11353	3.8
287.05707	2.7
287.09070	2.7
287.12869	3.1
289.10727	42.6
295.09622	9.0
297.11148	4.5
301.10693	35.0
313.10617	15.9
315.12448	4.3
317.10199	3.8
319.11792	31.2
325.10648	13.8
327.12219	3.0
329.10223	4.1
331.11774	34.3
337.10367	5.2
339.12280	2.8
341.12738	3.9
343.07907	4.5
343.11798	39.2
349.13232	15.9
355.11542	25.0
357.13110	2.7
361.12946	15.1
367.14294	42.0
379.14185	16.9
385.12848	24.0
397.14047	15.3
403.13934	20.7
409.12854	7.1
415.13818	16.8
421.15012	15.2
427.13806	6.7
433.14838	25.9
445.14993	14.8
462.62549	2.8
463.15933	18.9
464.33835	2.7
481.17120	13.7
499.18161	4.6
535.21533	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	534.3641
Annotation	Unknow
Peak:m/z	Relative Intensity
50.90111	1.0
53.03938	3.1
55.05514	15.3
57.03433	4.9
57.07084	9.4
59.97155	1.2
60.08166	1.4
61.02920	5.6
61.65472	1.0
65.03934	2.2
67.05507	76.4
69.03417	3.3
69.06730	2.1
69.07070	23.5
71.04989	2.6
71.08636	7.4
71.52544	1.3
71.70173	1.0
73.02914	1.8
76.93671	1.1
79.05069	1.7
79.05495	23.3
81.03424	2.5
81.07059	90.2
83.04971	2.3
83.08627	21.7
85.02915	6.6
85.06574	2.6
85.10184	3.1
86.09689	5.3
91.03928	3.1
91.05481	18.8
93.07051	31.0
95.04979	2.7
95.08611	85.7
97.02880	4.1
97.06565	5.8
97.10184	13.5
98.42697	1.3
99.08103	3.6
104.10739	10.8
105.07030	12.3
107.08596	20.2
109.06557	1.4
109.10162	43.4
111.08061	3.4
111.11725	4.6
113.09625	2.7
117.07013	2.2
119.08577	11.7
121.10152	22.3
123.08073	1.5
123.11707	23.1
124.31097	1.0
124.99990	2.2
125.09626	2.2
127.11155	1.6
131.08583	2.6
133.10141	17.7
135.11710	11.7
137.09608	2.7
137.13268	10.6
139.11243	1.4
141.12715	3.5
145.10069	1.7
147.11705	12.9
149.13283	11.5
151.11182	1.8
151.14822	8.5
152.02144	1.3
153.12749	1.5
155.14334	3.3
159.11713	1.2
161.13269	16.5
163.14857	12.6
165.12715	1.9
165.16379	10.2
166.33055	1.2
167.14246	1.5
171.11674	1.5
174.42961	1.1
175.14842	12.0
177.16402	1.7
178.67354	1.1
179.14227	1.6
179.17955	8.8
181.15883	1.6
184.07378	8.8
187.14752	1.4
189.16399	4.8
193.15964	1.8
203.17891	1.7
217.19499	2.7
245.22655	67.8
263.23712	100.0
265.25250	3.8
281.24643	1.8
291.19537	2.2
337.27390	56.6
355.28397	4.9
371.25607	2.7
389.26877	3.3
407.27838	3.7
425.28796	1.9
534.35370	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.3194
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	0.2
56.05032	0.5
57.03423	0.1
58.06363	0.2
58.06624	0.4
59.07401	0.1
59.76744	0.1
60.08163	6.7
65.21496	0.1
67.05486	0.4
69.07056	0.2
71.07375	3.0
71.08616	0.2
79.05489	0.2
81.07048	0.3
86.09704	30.2
91.05476	0.2
93.07057	0.3
95.04953	0.1
95.08624	0.2
98.69922	0.1
98.98464	2.7
104.10049	0.2
104.10742	3.9
105.07043	0.2
107.08609	0.2
109.10142	0.1
109.71169	0.1
123.04446	0.1
125.00002	21.0
125.38617	0.1
132.41071	0.1
135.11702	0.2
139.03905	0.2
143.01094	0.2
160.67424	0.1
179.14305	0.1
181.10507	0.1
184.07335	100.0
185.07799	0.1
258.10950	0.3
351.25339	0.2
361.11618	0.1
516.30975	0.9
534.31909	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	534.3638
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	1.8
55.05510	14.6
57.03432	5.6
57.07072	7.4
57.32296	1.4
60.08167	8.6
61.02915	4.6
67.05508	59.4
69.07072	21.4
70.94038	4.1
71.04989	2.4
71.07372	5.7
71.08623	4.7
73.02898	1.8
75.69312	1.3
79.05493	19.5
81.07059	71.5
83.04944	1.7
83.08617	16.5
85.02908	4.0
85.10192	2.3
86.09214	2.5
86.09707	26.4
91.03958	2.7
91.05479	11.9
93.07045	20.0
93.51488	1.4
95.04958	1.8
95.08612	58.2
97.06514	5.2
97.10181	9.6
99.08092	2.7
104.10748	100.0
105.07059	11.4
107.08596	13.8
109.09473	2.3
109.10165	29.2
111.08067	2.2
111.11740	2.1
119.08585	8.5
121.10146	17.9
123.11700	14.0
125.00002	7.8
125.09617	1.6
133.10138	10.1
135.11684	8.8
137.09607	2.2
137.13257	6.4
141.12769	2.3
141.47086	1.4
143.17865	1.3
147.11699	10.2
149.13264	8.4
151.14812	3.8
155.14250	2.5
159.61549	1.3
161.13252	11.0
162.90749	1.6
163.14868	7.7
165.12700	2.4
165.16382	7.2
175.14772	7.9
177.16444	2.2
179.17950	4.5
184.07343	29.0
189.16353	2.5
207.17221	1.3
217.19498	1.7
245.22655	51.9
263.23715	71.8
319.53619	1.4
327.46454	1.6
337.27365	50.9
355.28461	4.7
475.22256	19.0
499.32999	2.3
516.34491	2.8
534.28375	9.3
534.36609	9.5
554.56000	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.3197
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	0.5
56.05030	1.2
56.83415	0.3
56.96551	0.4
56.99349	0.3
58.06613	1.2
59.07378	0.4
59.33242	0.3
59.85349	0.3
60.08166	17.5
61.02941	0.3
67.05508	1.8
69.07056	0.6
69.08309	0.3
69.39223	0.3
69.74476	0.3
70.10108	1.3
71.07375	7.0
71.08622	1.3
72.08682	0.3
79.05503	1.3
81.07067	1.5
83.04974	0.3
85.02876	0.3
86.09710	50.5
91.05487	1.0
93.07054	1.2
95.04962	0.3
95.08604	1.1
97.02936	0.3
97.06548	0.3
98.98468	3.7
99.08127	0.7
104.10748	100.0
105.07031	0.7
107.04932	0.3
107.08611	0.6
109.10166	0.6
113.28382	0.3
121.10172	0.6
125.00009	25.3
129.28439	0.3
135.11708	0.5
139.03891	0.6
145.10129	0.3
151.11140	0.5
158.85509	0.3
163.01598	0.5
179.14305	0.6
184.07349	82.8
229.14575	0.3
258.11066	0.9
277.21686	0.3
351.25494	0.4
378.72113	0.3
419.13794	0.4
456.20978	0.3
513.27820	0.3
516.31006	5.2
534.31934	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	534.3189
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	0.4
56.05033	0.4
56.96551	0.7
57.03424	0.3
58.06612	0.8
60.08168	6.2
61.02897	0.4
64.05663	0.3
64.99586	0.3
67.05496	0.8
67.17698	0.3
69.07037	0.4
71.07373	3.2
71.52470	0.3
73.02925	0.3
73.31528	0.2
78.55363	0.2
79.05476	0.7
81.07057	0.5
83.08587	0.4
85.02888	0.4
86.09707	29.0
91.05476	0.9
93.07045	0.5
95.08611	0.5
97.02890	0.5
97.06520	0.3
98.29447	0.3
98.97557	0.3
98.97913	0.3
98.98462	2.5
104.10744	3.2
105.07026	0.4
109.10147	0.3
111.04407	0.4
119.08572	0.6
121.10137	0.4
125.00007	19.4
131.08536	0.3
133.10138	0.6
139.03889	0.5
142.82823	0.3
149.05923	0.3
163.03932	0.4
184.07341	100.0
194.81218	0.3
200.05138	0.3
498.29468	1.0
516.30884	6.0
534.31842	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.1724
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03419	0.4
65.03928	0.6
67.05496	0.6
69.03412	0.8
70.06576	1.1
70.43774	0.3
70.63242	0.7
70.63583	0.5
71.06116	1.5
71.36887	0.3
79.05505	0.3
80.02137	0.2
83.04988	1.3
84.04498	0.5
85.02876	0.8
87.04477	0.3
88.07623	0.5
88.11252	0.7
91.05485	0.3
95.04948	0.5
97.02868	0.7
99.05568	0.6
99.55161	0.3
103.05484	0.4
105.07016	1.2
107.04946	1.8
108.04484	2.1
109.02889	0.3
111.04404	0.8
111.05566	2.0
117.07001	0.9
121.02882	0.3
121.06504	0.3
123.04440	0.6
127.05035	0.5
130.04993	0.5
131.04932	9.3
133.06525	2.9
139.03900	1.6
139.05013	8.5
139.06126	0.4
140.04233	0.4
140.29562	0.3
145.06512	1.9
147.04439	0.3
152.03445	11.8
155.06064	0.7
156.07698	11.2
159.04404	0.7
159.06743	0.4
163.03886	0.5
171.04378	0.9
171.06454	0.4
172.07547	0.6
174.09122	0.9
177.05350	0.3
184.07169	0.8
185.07802	0.4
186.08763	1.2
187.03961	0.4
196.07196	19.3
200.07103	1.3
202.08704	0.4
206.04526	0.3
210.08737	0.4
228.06546	8.5
246.07635	30.9
257.09265	0.4
266.07761	0.7
294.14490	0.3
314.11551	0.5
316.12930	7.0
328.21365	0.5
333.10043	0.3
342.10858	100.0
343.11188	0.6
360.11942	3.2
372.24008	0.5
427.04794	0.3
516.16223	0.8
534.17163	9.9
534.29352	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.3838
Annotation	Unknow
Peak:m/z	Relative Intensity
50.94135	2.8
52.19910	3.0
55.01881	6.4
55.05510	12.9
57.03436	3.0
57.07076	3.8
59.04997	6.5
65.03977	3.2
67.05515	33.2
69.03439	4.8
69.07060	12.7
71.04994	10.4
71.52325	6.1
75.04458	3.9
79.05483	15.4
79.24152	2.7
81.07058	59.3
83.04977	13.6
83.08591	4.3
85.06562	15.5
91.05476	17.5
92.84830	3.1
93.07039	37.4
95.04998	5.9
95.08607	100.0
97.06543	17.9
97.10195	7.4
99.08108	15.7
101.06015	6.3
104.10748	4.6
105.07040	37.5
105.27389	2.9
107.08591	44.2
109.06501	5.7
109.10162	34.1
111.08085	12.0
113.06001	5.4
113.09608	7.3
117.07010	7.3
119.08588	38.6
121.10159	39.9
123.08067	36.9
123.11693	14.9
125.09671	7.6
131.08572	17.4
132.17542	3.5
133.10144	34.1
135.08015	4.9
135.11682	36.2
137.09634	6.0
137.13229	4.0
139.83669	3.2
141.09108	63.4
143.08560	9.3
143.10699	5.5
144.09401	3.2
145.10123	28.4
147.11693	29.3
149.09625	4.8
149.13257	17.1
151.11191	5.8
157.10110	15.6
159.10184	85.2
159.11687	34.7
161.09621	4.7
161.13246	31.6
163.11160	6.6
163.14854	8.1
171.11751	7.4
173.13252	19.7
175.11124	4.3
175.14906	18.3
177.12720	3.1
177.16386	6.5
185.13329	7.0
187.14864	18.0
189.16394	13.8
191.14362	6.0
199.14848	9.8
201.16412	14.7
203.14304	11.4
203.17908	7.5
205.15894	16.3
211.15147	3.7
213.16518	5.7
215.17981	10.2
217.15863	8.9
217.19490	3.3
219.17464	8.8
227.17911	4.7
229.15981	4.1
231.17404	6.2
262.91928	2.9
321.25671	3.1
339.36639	3.1
339.46634	3.2
341.28217	4.4
361.28912	5.4
379.29956	15.7
381.31409	5.3
397.30942	11.5
407.32977	6.8
419.33203	8.5
431.06818	3.2
437.34250	24.4
455.35141	20.9
473.36148	10.0
491.37268	8.9
497.36520	5.0
515.37073	4.0
533.38495	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	533.3842
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05517	15.7
57.03430	8.0
67.05500	38.4
69.03409	7.7
69.07065	17.9
69.73710	7.7
71.04985	34.7
71.52587	11.8
79.05477	25.8
81.06654	6.6
81.07041	48.3
83.04965	10.0
83.08611	13.8
85.06533	7.1
91.05493	26.6
93.07052	35.9
94.81585	7.8
95.08591	36.4
97.06535	9.2
97.10155	14.7
99.08127	8.2
105.07046	31.1
107.08591	84.5
109.10170	66.4
119.08586	47.1
121.10143	46.4
123.11714	9.2
125.09634	64.1
127.11217	41.5
131.08537	15.8
133.10150	41.2
135.11703	31.5
137.13284	8.5
143.10675	82.6
145.10127	26.3
147.04388	14.2
147.11710	35.5
149.09610	11.8
149.13239	8.9
157.10101	11.3
159.11743	35.3
161.09700	8.7
161.13263	24.8
163.14873	10.9
171.11638	9.1
173.13293	12.1
187.14897	13.2
201.16386	26.7
203.14320	14.0
203.17946	9.4
213.16316	8.1
215.17967	19.4
221.15414	19.7
233.18913	13.0
273.18298	8.4
342.10986	8.3
403.45081	8.3
415.39050	8.1
419.32831	9.5
423.59573	7.9
437.34192	100.0
455.35236	74.0
492.37381	9.6
515.37177	15.5
530.68842	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	533.2592
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00256	0.7
53.03939	4.7
55.01863	3.4
55.05502	2.6
57.03432	7.3
58.85194	0.8
59.05009	1.1
61.02929	11.5
65.03938	1.1
67.05498	3.3
69.03430	31.7
69.07073	7.6
70.47149	1.7
70.47530	1.8
71.04994	5.7
71.10836	0.8
72.08148	0.8
73.02918	4.2
79.05491	3.6
81.03424	14.0
81.07053	5.1
83.01337	1.5
83.04969	2.3
83.08621	2.7
85.02905	98.0
85.06540	0.9
87.04456	5.1
89.03926	0.9
91.03938	4.9
91.05473	5.4
91.26911	0.8
93.07038	4.8
95.04963	6.4
95.08599	5.4
97.02893	35.8
97.06530	7.5
99.04445	6.2
101.02354	1.0
103.03925	1.6
105.03397	1.0
105.07040	5.5
107.04958	1.4
107.08595	8.5
109.02892	9.6
109.06509	4.3
109.10146	2.9
111.04424	1.4
111.08061	1.0
113.05996	0.8
115.03918	1.7
117.03400	1.2
119.04961	1.9
119.08600	6.0
120.56068	0.9
121.06501	2.8
121.10123	5.5
122.07262	2.5
123.04400	1.6
123.08065	19.8
123.11684	1.8
125.09660	0.9
127.02972	1.2
127.03918	25.3
127.61390	0.8
131.08574	2.7
133.10138	9.8
135.04416	3.5
135.08055	30.9
135.11690	5.6
137.05946	1.3
137.09605	3.3
139.03918	2.9
143.08560	1.1
143.10684	0.8
145.03036	1.7
145.04958	39.1
145.10120	2.2
147.04413	3.6
147.11679	3.0
149.09615	2.4
149.13278	2.0
151.03906	1.7
157.10066	1.0
158.10829	0.8
159.11685	1.5
161.09644	1.4
163.03912	21.4
163.05978	6.6
163.14844	2.2
165.12753	19.8
171.06381	1.6
171.11761	1.4
173.06078	0.9
173.13307	2.0
175.03949	1.9
175.11180	1.4
175.14851	3.6
176.11929	4.2
177.05469	1.8
177.12860	1.0
181.04939	0.9
183.11642	0.8
189.07613	3.3
191.14305	100.0
193.15877	14.6
207.06570	2.0
207.13806	3.4
209.15363	17.2
215.07040	1.7
259.09763	3.8
261.24115	0.8
266.58789	0.8
309.17191	1.2
336.52515	0.8
339.22360	0.8
353.19598	2.7
371.20688	13.9
489.26920	1.1
533.25946	47.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.2141
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	0.5
56.96580	0.2
57.03430	0.3
65.03945	0.6
67.05505	0.5
68.99783	1.0
69.03424	0.7
69.70235	0.2
70.06355	0.7
70.64036	0.3
73.06530	0.2
74.02445	2.2
77.43313	0.2
77.84842	0.3
79.05499	0.4
81.03418	0.3
81.07054	0.4
83.04970	0.9
83.06094	0.6
85.02914	0.9
86.06055	0.3
86.09702	0.5
87.05598	4.1
87.08076	0.2
88.04010	0.6
88.74339	0.3
91.05480	0.6
93.03384	0.6
93.07037	0.4
95.04959	0.5
97.02885	1.1
97.06514	0.5
98.20773	0.3
98.97569	0.3
99.04459	0.4
103.05468	0.9
105.07027	0.5
107.04948	1.0
107.08614	0.3
111.04465	2.2
115.05461	0.3
116.03449	0.7
117.06981	0.4
119.04930	0.5
119.08611	0.3
120.08095	0.3
123.04439	2.2
127.03960	0.6
128.06203	0.3
129.07014	0.8
130.28247	0.2
131.04936	1.5
131.08572	0.6
133.06097	15.0
134.14351	0.3
135.04428	0.9
135.22716	0.3
137.06001	2.0
139.03912	100.0
141.07027	0.3
142.07803	0.4
143.08557	0.5
145.02840	0.6
145.10179	0.4
147.04443	0.7
148.40813	0.3
149.05981	0.5
151.03920	2.1
153.05547	0.6
155.08556	0.8
157.06519	0.4
157.10170	0.7
159.08072	1.2
161.05984	1.5
163.03925	4.7
163.07555	1.8
165.05504	0.6
165.09137	0.3
167.07050	0.4
167.08591	0.3
168.05804	0.3
169.05057	0.4
170.07317	0.4
171.08038	0.4
173.05998	0.9
175.04001	0.3
175.07541	0.9
177.05481	0.4
181.04962	1.2
181.06470	0.3
183.06528	0.8
183.07953	0.5
185.09653	1.1
186.06757	0.5
187.07544	3.5
189.05505	0.5
189.09099	0.5
191.06996	0.5
191.10606	0.4
195.08066	0.9
197.06075	0.3
197.09662	1.2
199.07657	0.3
199.11174	0.5
201.09114	6.1
203.03603	0.3
203.05295	1.3
203.10681	11.4
205.12271	0.6
209.09723	0.4
213.09052	1.2
215.07108	0.4
215.10687	1.1
217.08633	0.5
217.12334	0.7
219.10118	2.2
225.09111	2.5
227.10664	1.7
229.08684	0.3
231.10164	3.2
233.11771	1.2
235.08232	0.7
243.10173	0.9
245.11758	2.1
253.09265	0.5
259.09628	0.3
295.06064	0.9
297.07465	0.3
307.15259	0.3
313.12946	0.3
322.89987	0.3
323.05316	0.3
331.55844	0.3
351.12357	1.8
353.13782	4.1
359.13522	0.4
369.13394	2.3
371.09903	2.1
371.15018	1.7
401.15997	6.4
445.20468	0.3
449.98615	0.3
533.19397	1.1
533.23425	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.2129
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	0.5
59.04984	0.4
65.03936	1.0
67.05504	0.5
68.99782	0.4
69.03418	0.6
70.06575	0.9
71.52062	0.5
74.02079	0.5
74.02451	3.6
82.53394	0.3
83.04971	0.9
83.98924	0.3
85.02881	0.4
87.05599	4.7
88.03981	0.8
89.03914	0.4
91.05489	0.7
93.03398	0.4
95.04964	0.4
96.90611	0.3
97.02893	0.9
98.97570	0.5
99.04461	0.6
111.04463	2.2
114.20538	0.3
116.03451	0.8
117.03378	0.6
119.05000	0.3
121.06485	0.3
123.04427	1.5
127.03928	0.8
129.07025	0.7
131.08582	0.3
133.06096	20.6
135.04453	0.6
136.07584	0.4
138.06625	1.0
139.03908	100.0
142.07719	0.4
145.02846	1.5
145.10153	0.5
147.04411	1.9
149.05983	0.4
151.03877	1.6
153.05472	0.6
155.08554	1.1
159.08052	1.3
161.06012	1.0
163.03900	4.3
163.07576	0.5
167.08604	0.7
169.04980	0.4
171.08044	0.4
173.06015	1.0
173.09634	0.5
175.07545	0.3
177.05482	2.2
181.04951	1.1
183.06561	0.7
183.08067	0.8
185.09549	1.6
186.06830	0.5
187.07561	3.6
189.09134	0.4
191.10690	0.7
195.08832	2.6
197.09641	1.2
201.09119	5.6
203.10692	10.2
203.12610	0.6
205.12259	0.6
209.09711	0.3
209.15402	0.5
213.09206	1.3
215.10797	1.5
217.12283	0.7
219.10193	2.9
220.53523	0.3
225.09120	3.0
227.10641	2.3
231.10185	3.8
233.11894	1.5
233.13844	0.3
243.10175	0.8
245.11757	1.7
267.06512	0.6
295.05960	0.8
351.12347	2.2
353.13846	3.7
369.13373	2.8
371.14963	0.7
377.01938	0.4
401.15964	4.2
533.24280	1.1
533.33258	0.9
541.04218	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	532.3634
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05268	4.7
55.05513	59.9
67.05504	37.6
69.07067	5.3
70.18324	6.7
70.18714	7.6
71.08636	3.5
72.71935	2.7
75.65076	2.7
79.05482	9.6
81.07056	47.3
83.08617	78.9
87.04449	4.5
91.05477	19.8
93.07040	10.7
95.04948	3.2
95.08614	48.6
97.06521	5.3
104.91798	2.9
107.08582	9.4
107.47285	2.4
109.10157	25.6
119.04948	31.0
119.08585	6.9
121.10154	16.8
123.11710	11.9
131.08623	3.5
133.10112	11.8
135.11700	9.7
137.09627	5.5
137.13261	6.0
145.10031	2.6
147.03249	5.1
147.04416	100.0
147.11761	3.5
149.13264	4.9
151.11212	7.3
151.14813	3.4
163.14938	3.1
165.05498	11.8
169.12288	2.7
215.17928	16.4
216.47626	2.7
233.19041	14.4
237.18599	3.4
251.20059	59.8
269.21194	8.0
333.28006	17.3
351.28665	4.3
476.53061	2.8
532.38885	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	533.2134
Annotation	Unknow
Peak:m/z	Relative Intensity
52.70234	0.3
55.01869	0.5
56.41116	0.4
60.36592	0.3
65.03928	0.8
67.05481	0.4
68.99790	0.9
69.03416	0.6
69.50407	1.6
69.50813	0.5
71.73115	0.3
72.08146	0.4
72.97293	0.3
74.02439	3.1
80.88866	0.3
83.04963	0.7
87.05596	3.5
88.03974	0.8
91.05471	1.2
92.13972	0.4
93.03423	0.8
95.04960	0.5
97.02882	0.5
99.04499	0.4
111.00791	0.4
111.04453	2.0
116.03459	1.0
117.03368	0.6
122.23152	0.5
123.04437	2.2
127.03905	0.5
128.06207	0.4
129.07040	0.6
133.06096	18.0
137.05879	0.4
139.03905	100.0
145.02858	1.2
145.06470	0.4
145.63240	0.3
147.04352	0.4
149.06000	0.5
151.03894	1.8
153.05536	0.5
155.08569	1.1
157.06522	0.6
157.10075	0.8
159.08041	1.1
161.05981	1.2
163.03917	2.4
163.07625	0.4
165.05540	0.4
169.04973	0.8
171.08058	0.4
173.05991	0.9
174.06747	0.4
177.05466	2.1
181.04973	0.9
183.06558	0.8
183.08044	0.8
185.09613	1.6
186.06773	0.7
187.07570	3.2
189.05481	0.4
189.09065	0.5
191.07019	0.5
195.08035	0.7
197.09624	1.1
199.10992	0.4
201.09116	5.9
203.10670	11.0
205.12321	0.5
213.09132	1.5
215.10725	1.8
217.12227	0.4
219.08376	0.3
219.10228	1.5
225.09087	3.0
226.97516	0.3
227.10664	2.0
231.10175	3.4
233.11739	3.0
243.10240	0.6
245.11720	1.7
276.51157	0.3
295.05930	0.5
342.10626	0.6
351.12292	1.6
353.13754	2.9
369.13501	2.0
371.14743	0.9
386.35495	0.4
401.16064	2.1
437.65210	0.3
533.23877	2.9
533.31750	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	532.3122
Annotation	Unknow
Peak:m/z	Relative Intensity
53.96811	0.9
55.05507	2.4
56.96548	1.5
57.03432	1.6
61.02922	3.0
63.88783	1.1
64.85032	0.9
67.05517	7.4
68.00677	0.9
69.03428	5.5
69.07064	2.7
69.48969	4.9
69.49371	1.9
70.06587	1.8
71.04996	1.6
73.02920	1.9
79.05490	5.7
80.72630	0.9
81.03413	2.7
81.07066	13.8
83.08621	2.9
85.02427	1.7
85.02906	17.2
85.06535	1.2
86.09707	1.1
87.04472	1.5
89.03912	3.6
91.03959	1.9
91.05485	9.5
93.07048	9.4
94.22743	1.0
95.04955	2.1
95.08609	25.1
97.02889	7.5
98.97600	5.8
105.07021	11.4
106.85294	1.0
107.08614	8.4
109.02898	1.4
109.06522	1.4
109.10162	6.4
110.97562	1.4
116.98598	1.3
117.03397	3.6
117.07051	8.5
117.75449	0.9
119.07914	1.1
119.08598	11.1
121.06490	1.3
121.10155	12.9
123.08051	2.1
123.11695	1.8
124.99171	1.1
125.09618	3.1
127.03915	4.6
129.07011	2.7
131.08566	17.1
133.10129	15.4
135.04420	4.5
135.08035	1.7
135.11688	7.9
137.05919	1.1
137.09604	4.3
139.03876	1.1
141.06961	1.5
143.00224	1.2
143.08562	7.1
145.02847	4.1
145.04947	2.7
145.10135	13.4
147.08073	1.7
147.11678	8.8
149.09608	1.1
149.13235	3.8
151.11185	1.3
154.07707	1.1
155.08531	2.8
157.10146	9.0
159.11694	14.1
161.13272	8.8
163.03929	21.3
163.11156	1.7
164.04228	3.4
165.05544	1.1
169.10129	4.1
171.11716	13.7
173.13255	9.4
175.11212	1.9
175.14822	2.7
177.12737	4.1
180.08722	6.9
183.11700	6.5
185.13269	6.6
187.14807	3.0
189.12759	8.9
191.14322	4.4
197.13234	8.4
199.14851	2.7
201.16374	2.0
211.14850	5.4
213.16414	5.5
215.14345	1.5
219.01909	1.1
219.17552	1.1
225.16412	9.3
227.17957	1.3
237.02567	1.2
241.08780	1.2
241.19534	10.5
243.17426	2.9
243.21112	14.7
249.02638	1.1
253.19518	55.7
255.21014	1.3
259.20624	8.7
271.10193	3.7
271.20566	100.0
289.21634	97.2
289.25031	1.6
290.21838	1.5
299.20068	5.1
317.21146	14.3
326.99475	1.1
335.22153	18.1
352.24915	1.8
353.23022	4.0
367.11304	1.9
404.26950	1.1
532.22089	8.8
532.29956	1.6
545.22168	1.6
546.23187	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.1726
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	0.6
56.96540	0.3
57.04541	0.6
65.03928	0.5
67.05495	0.8
69.03419	0.4
69.04559	5.5
70.06573	0.7
71.52380	0.4
74.09692	0.7
81.03384	0.3
81.07036	0.5
83.05002	2.4
83.06092	0.4
84.08124	0.3
85.02875	1.0
86.09694	0.4
89.03918	0.4
91.05474	0.4
93.03387	0.5
95.04936	0.8
97.02879	0.7
97.03981	0.4
100.35001	0.3
103.05498	0.3
105.06979	0.4
108.05566	0.6
111.04412	1.3
113.94097	0.3
117.03323	0.4
119.04844	0.4
119.08580	0.4
121.02823	0.7
123.04426	1.1
130.05051	0.3
131.04942	4.1
132.05563	0.7
135.04381	0.8
137.06004	0.4
142.06120	0.8
145.02863	0.6
147.04338	0.7
147.07507	0.4
151.03874	1.2
154.06329	0.4
158.06030	8.5
159.06781	0.3
160.05118	0.6
163.03885	3.0
164.04237	0.4
170.06013	0.9
176.07076	0.6
177.05496	0.4
178.06094	1.0
181.07370	0.5
185.07126	2.3
193.07222	1.1
197.07217	0.5
198.07843	1.8
198.10277	1.0
199.08598	0.9
203.08377	0.3
207.06674	0.4
208.08690	0.9
208.33873	0.3
209.07086	0.9
213.06689	0.8
217.07224	2.4
225.06622	2.4
226.09755	17.7
233.08000	0.4
236.08211	0.8
237.06519	0.7
238.09755	1.0
239.06891	5.1
240.11595	0.4
252.10033	0.5
253.08269	0.4
254.09264	22.4
267.12402	2.2
272.10257	0.6
283.12018	0.7
293.10309	1.4
296.09018	1.2
310.10916	0.3
311.11395	100.0
312.11594	0.8
313.12683	0.4
329.06683	0.3
339.10913	4.6
357.11942	28.4
367.11600	0.4
379.08240	0.6
399.14731	0.5
448.57608	0.3
485.16745	2.4
513.16595	1.3
531.17249	28.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	532.1814
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01856	0.8
55.05509	1.7
56.96563	2.1
57.03426	1.5
58.49127	0.8
59.05002	20.6
61.02915	1.2
67.05500	1.6
69.03422	3.4
69.07075	1.2
70.06585	2.0
71.52746	1.2
72.08160	2.1
79.05497	3.2
81.03397	1.6
81.07040	1.8
83.04974	1.2
84.96024	1.1
85.02912	3.9
86.09676	1.2
87.04472	1.6
89.06005	2.7
91.05491	2.9
93.07024	1.2
95.04980	1.7
95.08620	1.7
97.02892	3.0
97.06512	1.4
98.97554	4.2
99.04450	0.9
103.05444	1.3
103.07578	9.4
105.07010	1.9
107.04964	5.1
107.08572	1.5
109.06498	1.2
109.10160	2.0
110.97507	1.0
115.05446	2.3
116.98627	2.0
117.07043	1.7
117.09127	2.0
119.04994	1.9
119.08632	1.8
121.10139	1.2
122.03600	0.9
123.04396	3.9
123.08025	1.6
124.05201	1.3
125.06022	1.1
127.03945	1.5
128.06215	1.0
129.06976	1.3
131.04962	3.2
132.05731	1.7
133.08594	1.3
135.04388	1.4
135.11667	1.8
137.05975	8.6
139.03894	1.1
140.04674	3.6
143.00153	1.0
143.04970	1.5
145.06493	2.1
146.99698	1.2
147.04430	2.4
147.08080	0.9
149.06001	1.2
151.03899	1.4
152.04659	1.4
153.05423	2.2
155.07013	5.3
158.03558	3.9
158.99620	0.8
160.05170	1.1
161.05956	3.4
161.11674	4.8
163.03906	5.9
165.05534	1.0
165.06853	1.0
167.07037	32.5
173.05948	7.0
175.03885	1.0
175.07521	3.9
175.13304	1.3
175.14769	0.8
177.05470	1.9
177.07028	0.9
178.90361	1.0
181.04996	1.9
185.06067	1.2
186.03133	3.5
187.07483	1.1
189.00732	1.0
189.06984	1.3
191.06985	2.4
191.08527	1.7
192.07820	1.9
193.06525	1.3
193.15881	2.2
201.05472	67.3
202.07890	1.1
205.06567	2.3
207.06364	1.2
207.08090	2.6
211.16977	2.1
213.05464	26.7
218.07286	4.6
219.01878	1.4
219.08142	5.9
219.15904	1.9
220.05275	1.3
221.05969	4.2
225.14877	1.2
229.06587	1.9
231.06493	22.0
231.08569	1.7
233.05942	2.7
234.06764	2.4
235.07571	7.0
236.08353	3.4
237.02841	2.4
237.05258	1.1
245.06058	1.3
246.06842	4.0
247.07536	6.3
248.04808	0.9
248.08177	1.7
249.05493	6.2
249.09044	0.9
250.06277	1.4
251.07211	1.0
251.10716	1.4
257.05936	1.3
260.04721	3.8
261.05402	3.3
262.06241	1.9
263.07071	7.1
264.07776	7.5
265.04956	1.4
265.08661	2.2
267.10077	1.3
267.12720	1.2
272.10916	4.7
274.06204	6.3
275.07019	10.2
276.07715	1.6
277.04944	7.5
277.08340	1.4
278.09247	1.6
279.06909	0.9
279.10199	2.5
280.07306	1.4
281.08167	1.1
285.13733	1.2
288.04138	4.6
289.04861	2.7
289.08261	1.5
291.06519	3.5
291.10049	1.8
292.07266	11.4
293.07901	1.8
295.09628	3.7
302.05707	3.4
303.06519	22.5
304.07184	3.5
305.04385	6.2
306.08789	1.9
307.09662	6.7
308.06656	1.2
309.07687	1.9
309.10822	1.5
309.13879	2.1
311.12622	2.3
317.07965	2.0
319.05832	1.4
320.06790	20.0
321.07272	1.1
323.09045	2.5
323.12680	1.9
324.09918	1.7
335.09149	47.8
337.10596	2.3
339.12393	1.7
341.14111	1.0
352.09326	2.6
353.25436	7.3
355.11774	19.2
367.11774	100.0
385.12881	9.4
387.11658	1.0
411.16797	3.9
429.17899	2.4
503.60971	1.0
531.74664	1.6
532.23737	3.8
543.21277	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	531.1726
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05487	0.8
57.04551	0.4
65.03924	0.6
67.05495	1.2
69.03404	0.8
69.04555	5.3
70.06572	0.8
71.52401	0.4
72.08138	0.5
81.04566	0.2
83.04988	2.5
84.04514	0.3
84.08112	0.3
84.91193	0.5
85.02880	0.7
86.09692	0.6
87.04446	0.2
91.05479	0.4
93.03369	0.5
97.02862	0.7
97.04038	0.3
97.06532	0.3
98.97619	0.3
105.04485	0.3
107.04977	0.4
108.05640	0.3
109.02812	0.4
110.07145	0.5
111.04429	1.3
114.09122	0.3
117.03365	0.3
119.04908	0.4
121.02877	0.3
123.04384	0.3
127.05067	0.3
130.06538	0.4
131.04924	3.6
131.08551	0.3
131.11743	0.4
132.05539	0.7
139.03877	0.7
142.06117	0.9
145.02785	0.5
147.04424	0.3
151.03889	0.6
158.06004	8.5
159.06793	0.5
160.05034	0.8
163.03929	0.6
170.05980	0.8
172.07510	0.3
176.07077	0.5
177.05446	0.7
178.06131	1.3
181.07277	0.5
182.05965	0.3
185.07100	2.7
193.07146	1.1
197.07199	0.3
198.07832	2.0
198.10277	0.8
199.08694	0.8
203.08253	0.3
207.06573	0.3
208.08723	0.7
209.07126	0.7
213.06674	0.4
217.07187	2.0
220.48921	0.2
224.08368	0.4
225.06580	2.5
225.08620	0.3
226.09746	17.9
234.11284	0.2
236.08199	0.7
237.06557	1.0
238.09743	1.1
239.06914	4.8
252.10034	0.8
254.09256	23.4
255.07571	0.6
266.09454	0.4
267.08817	0.2
267.09808	0.3
267.12390	1.8
272.10333	0.4
283.11890	0.7
293.10269	1.0
294.08969	0.5
296.09024	1.5
303.17090	0.5
310.10693	0.4
311.11374	100.0
312.11597	0.8
339.11002	3.8
340.10019	0.4
350.60577	0.3
357.11926	26.7
359.24097	0.5
371.12326	0.3
372.12726	0.8
442.56308	0.3
481.18039	0.5
485.16580	2.8
513.15918	1.9
531.17175	35.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.1727
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05489	0.5
57.04542	0.6
58.87823	0.2
65.03932	0.6
65.39305	0.2
67.05525	1.2
69.03409	0.6
69.04559	5.0
70.06574	0.5
70.62646	0.3
70.62994	0.6
70.72326	0.2
71.67297	0.2
72.08141	0.4
83.04990	2.4
83.06098	0.3
85.02905	0.5
90.39101	0.3
93.03391	0.6
95.04950	0.3
97.03979	0.3
108.05556	0.4
110.07149	0.4
111.04420	1.1
112.83955	0.3
121.02825	0.3
123.04369	0.3
127.05013	0.4
131.04935	3.6
132.05551	0.6
139.03899	0.4
142.06096	0.7
158.06021	7.5
160.05057	1.1
170.05998	1.0
172.07664	0.3
176.07094	0.4
178.06079	1.3
181.07333	0.6
185.07092	2.3
193.07257	1.2
197.07104	0.6
198.07901	1.4
198.10168	0.6
199.08638	1.0
208.08656	0.9
209.07076	0.8
211.07321	0.5
213.06671	0.5
217.07211	1.6
225.06602	2.2
226.09758	17.1
236.08189	0.7
237.06554	1.1
238.09871	0.8
239.06915	5.0
251.09386	0.5
252.10104	0.6
254.09262	24.4
257.09277	0.3
267.12405	2.2
272.10287	0.4
283.11932	0.8
293.10382	1.3
294.08646	0.6
296.09024	1.9
311.11386	100.0
312.11575	1.0
313.12897	0.3
339.10898	4.9
340.10226	0.5
357.11938	27.4
358.12241	0.3
380.15384	0.3
481.18088	0.3
485.16632	3.1
513.16150	2.5
514.80316	0.3
531.17236	40.8
532.17078	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.1502
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	0.7
55.05491	0.8
57.03403	0.5
59.05001	2.1
59.51529	0.5
63.02367	1.0
65.01229	0.6
67.05499	1.5
69.07058	0.7
71.16908	1.3
71.72648	0.5
79.05488	1.3
80.03401	0.5
81.07069	1.3
83.04932	0.8
85.02906	0.6
87.04469	1.3
89.03921	15.7
89.67401	0.5
91.05476	2.2
93.07072	0.8
95.04942	1.2
95.08600	0.9
97.02903	0.8
105.07000	0.8
106.04153	0.6
107.04942	1.6
109.10165	1.7
111.04445	0.8
117.03381	30.8
119.04962	2.8
120.63082	0.6
121.06490	1.1
123.04389	2.7
134.03622	2.3
135.04433	9.9
135.11693	0.5
144.91254	0.6
145.02850	60.3
147.04405	2.4
149.05978	9.1
150.07741	2.3
151.03888	1.0
161.06021	0.6
163.03909	43.9
175.03922	2.2
177.05473	100.0
178.05696	0.7
186.05460	2.2
191.03392	3.1
207.06516	5.3
215.06963	0.9
229.14267	1.3
230.14687	0.9
319.08078	1.1
333.09708	0.9
343.08121	1.5
351.11340	0.7
379.11774	1.7
457.01651	0.5
513.13837	3.1
531.16687	2.6
531.23889	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	530.2812
Annotation	Unknow
Peak:m/z	Relative Intensity
50.28849	1.2
51.74939	0.8
55.01870	1.7
55.05510	12.0
57.03433	11.3
59.05004	36.4
59.87011	0.9
61.02921	2.3
65.03932	1.7
67.05508	47.3
69.03424	2.4
69.07064	2.3
71.03816	2.2
71.04996	4.3
73.02936	1.6
79.05489	5.0
81.03415	4.3
81.07049	10.6
83.04980	2.4
83.08614	4.5
85.02909	5.3
85.06554	1.5
86.09726	1.6
87.04472	77.9
91.03936	1.2
91.05476	4.0
92.71198	1.0
93.07069	2.6
95.04957	1.2
95.08602	4.1
97.02903	3.2
97.06515	1.3
97.10175	6.6
99.04475	3.5
103.03933	3.0
105.07047	1.9
107.04971	1.2
107.08592	4.5
109.10157	56.7
111.04433	1.6
111.08081	2.3
117.03389	1.3
119.08559	4.7
120.07738	1.0
123.87150	1.2
125.09618	7.3
135.04427	1.5
137.09637	3.2
145.02858	3.7
145.10083	1.1
148.57184	1.0
155.10672	12.8
163.03868	2.6
163.11200	2.1
173.11746	27.0
173.60431	0.9
177.05493	6.1
203.32228	1.2
217.14302	1.1
229.14345	100.0
257.13885	12.1
267.15997	1.3
305.73413	1.0
315.18295	1.1
333.19077	3.4
404.16959	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.1504
Annotation	CHEBI:88343
Peak:m/z	Relative Intensity
51.02419	0.4
53.03969	0.4
55.01898	0.5
56.06947	0.4
56.19776	0.4
59.04996	1.1
63.02376	1.0
67.05529	0.9
69.03429	0.6
69.41752	3.2
72.08179	0.7
73.02950	0.5
79.05504	1.0
81.03430	0.8
83.05012	0.5
85.02916	1.1
86.09749	0.4
89.03925	14.8
91.05499	2.0
93.07080	0.6
95.04980	1.4
95.08602	0.8
97.02894	1.4
97.06519	0.8
98.97565	0.4
105.03405	0.5
105.04567	0.5
106.04180	0.8
107.04965	1.2
107.08641	0.8
109.10172	0.7
111.38850	0.4
117.03388	29.7
119.04967	1.3
121.02889	1.1
121.06519	0.8
123.04468	2.2
127.03979	0.6
130.06516	0.5
131.08585	0.5
134.03651	1.7
135.04419	9.8
139.03882	0.9
145.02853	58.8
147.04422	2.2
149.05984	9.5
150.07724	0.7
151.03893	1.1
161.05965	0.5
163.03915	38.3
167.07059	0.6
175.03902	2.4
177.05481	100.0
181.16469	0.4
186.05547	1.5
191.03362	1.4
203.70860	0.5
207.06557	5.4
219.10243	0.8
229.74643	0.4
259.09668	0.4
319.08160	1.6
333.09555	1.4
337.09225	0.6
343.08191	0.5
351.11661	0.7
362.99481	0.4
370.69116	0.4
372.21536	0.6
379.11963	1.0
381.13297	0.5
399.14029	0.5
400.20883	1.1
513.14258	2.3
531.16455	1.7
531.23785	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	530.2814
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	15.7
56.96562	4.7
57.03428	10.7
59.05003	31.9
61.02908	6.4
67.05505	57.2
69.03407	4.8
69.07053	5.5
71.04982	5.8
72.08160	5.0
73.02943	3.9
79.05481	8.3
81.03414	5.2
81.07049	13.7
83.04973	5.9
83.08612	7.7
85.02898	9.9
85.06559	2.6
86.09703	4.2
87.04472	59.2
89.03905	4.5
91.05471	14.7
93.07036	6.5
95.04949	4.0
95.08609	6.9
97.02883	10.2
97.10157	7.5
98.97600	3.5
99.04447	4.7
105.07033	5.6
105.96317	2.2
107.08595	6.5
107.88183	2.5
109.10163	52.8
111.08115	2.5
117.03401	3.6
119.08566	6.5
121.06532	4.9
121.10145	4.5
123.04393	4.0
125.09590	5.3
133.10123	3.2
135.11644	4.0
145.02856	8.8
145.10068	2.9
147.04362	2.9
149.09595	3.7
155.10713	5.4
159.09239	3.6
163.03899	18.2
163.11162	3.8
164.10614	2.7
173.11743	36.2
177.05473	14.8
191.10602	4.5
193.12445	2.9
205.41917	2.5
210.49925	2.9
229.14348	100.0
243.87199	3.1
257.13882	6.4
264.75665	2.6
333.19022	4.8
406.88736	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	530.2808
Annotation	Unknow
Peak:m/z	Relative Intensity
52.63097	0.5
53.74118	0.6
55.01874	1.3
55.05511	9.1
57.03438	9.3
59.05005	34.2
61.02925	2.5
65.03958	1.0
67.05506	41.6
69.03427	2.0
69.07067	1.9
69.24378	0.5
70.06615	0.8
70.18671	2.6
71.04990	3.9
72.08158	1.5
73.02928	1.1
79.05493	4.6
81.03430	3.1
81.07062	8.9
83.04980	2.2
83.08620	5.4
83.15907	0.5
84.53389	0.6
85.02902	3.7
85.06548	1.9
87.04470	72.9
91.03984	0.8
91.05474	3.2
93.07059	3.4
95.04966	1.5
95.08595	3.8
97.02898	2.3
97.06517	0.9
97.10174	5.3
99.04461	2.1
103.03942	2.3
105.07034	0.8
107.04934	1.2
107.08585	3.2
109.10159	49.7
111.04450	1.2
111.08092	2.3
117.07018	0.6
119.04911	0.6
119.08604	4.8
121.10139	1.1
122.89205	0.5
125.09637	5.5
127.03916	0.7
135.11699	1.3
137.09639	2.8
143.10649	0.8
147.07997	0.7
149.09718	0.6
153.12737	0.8
155.10672	10.0
155.74225	0.7
163.03857	1.2
163.11169	1.8
173.11734	26.7
181.12216	0.6
193.12247	1.9
215.05014	0.5
217.14275	0.9
229.14357	100.0
236.46416	0.8
257.13849	14.0
333.19058	5.4
451.42545	0.6
452.38074	0.7
462.14432	0.6
477.23358	1.3
526.18567	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.3892
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	2.5
54.24132	1.1
55.01848	1.2
55.05512	10.2
57.03441	3.0
57.07071	4.3
65.03937	1.9
67.05506	34.7
69.07076	9.3
71.04979	1.9
71.08614	1.3
71.52666	1.4
79.05493	23.6
81.03435	2.0
81.07064	35.6
83.05002	2.4
83.08608	5.9
83.58165	1.3
84.54441	1.2
85.06538	1.8
88.07597	1.3
91.05481	18.8
93.06474	2.4
93.07050	27.0
95.04984	2.2
95.08611	18.9
97.06551	2.9
97.10165	2.6
105.04483	1.6
105.07035	15.2
107.08586	15.8
109.06479	1.3
109.10169	6.6
111.08105	1.9
117.07021	7.9
119.08576	11.0
121.10162	10.1
123.11745	2.2
129.07018	6.0
130.07848	1.2
131.08577	14.7
133.10121	10.1
135.11726	5.7
143.08585	5.4
144.48457	1.4
145.10124	13.1
147.11736	5.7
149.13287	5.9
152.31883	1.2
152.36638	1.2
155.08537	1.9
157.10179	4.9
159.11674	8.8
161.13324	2.9
169.10194	2.9
171.11752	3.4
173.13312	3.5
177.12776	1.5
183.11803	1.9
185.13306	3.8
187.14821	3.4
189.16435	1.4
195.13860	3.4
199.14824	2.1
201.16483	2.3
209.13174	1.4
213.16394	1.6
215.47574	1.2
217.86447	1.3
217.88698	1.2
223.14891	1.5
225.16472	1.6
232.98317	1.1
236.16907	1.2
261.22089	2.6
419.32904	1.5
437.34344	7.4
455.35266	3.7
473.36478	2.0
511.37842	5.2
529.38940	100.0
529.50000	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	528.4109
Annotation	Unknow
Peak:m/z	Relative Intensity
50.94202	1.7
53.67265	1.6
55.05516	6.9
57.07079	53.5
59.05005	22.9
61.02905	2.4
67.05498	13.9
68.05830	1.9
69.07066	6.1
71.08634	100.0
71.52473	2.2
73.06550	3.1
79.05492	3.8
81.03451	1.7
81.07059	7.6
83.08598	3.5
85.02896	3.1
85.10187	56.7
87.04486	8.9
89.06036	82.4
91.05471	5.1
93.07043	3.1
95.08606	4.0
99.08787	1.8
99.45239	1.9
103.07584	6.3
105.07022	8.0
109.10158	8.8
110.10474	2.4
119.08583	4.2
127.14847	7.3
130.08641	3.7
131.07062	2.3
131.08586	2.0
133.08607	84.6
136.81146	2.3
147.11755	2.1
165.92610	1.9
175.09697	2.4
177.11230	33.4
185.19006	12.3
187.12334	2.0
221.13870	8.9
223.15279	1.8
229.21660	6.7
239.14943	2.6
283.17569	3.2
309.19217	3.7
317.60144	1.8
327.16370	2.2
327.20178	38.0
367.23349	5.5
371.22784	3.3
384.24451	3.4
426.44742	1.9
436.33160	2.1
493.27087	3.6
498.64996	2.0
511.38309	9.5
528.28906	4.2
528.37494	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	529.3011
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	12.8
55.01878	26.1
55.05511	36.8
56.96563	6.2
57.03436	20.2
57.07080	5.3
61.02922	37.1
65.03928	4.2
67.05505	92.1
69.03418	26.2
69.07070	31.3
69.80113	4.3
69.85851	14.7
71.04978	11.3
73.02911	22.7
79.05064	5.9
79.05492	70.3
81.03419	21.9
81.06660	5.1
81.07061	68.3
83.04965	15.9
83.08617	27.8
85.02910	38.5
85.06490	6.0
89.10511	3.7
91.03973	21.1
91.05476	52.7
93.07044	56.1
95.04993	18.7
95.08591	41.9
97.02884	32.2
97.06535	55.7
97.10152	18.1
99.04456	9.2
101.02356	6.1
105.07028	56.4
107.04958	23.6
107.08589	51.5
109.02879	4.6
109.06514	10.3
109.10145	40.4
111.08067	7.4
117.07058	22.6
119.08591	40.1
121.06464	9.3
121.10151	22.6
123.08072	7.7
123.11700	6.9
125.09633	23.0
127.03884	13.6
129.05484	4.7
129.07001	11.1
131.08543	26.9
133.10120	32.1
135.08083	9.0
135.11685	13.4
136.31935	3.9
137.09604	8.7
139.03940	6.0
142.58946	4.6
143.08533	10.4
145.04955	7.0
145.10094	28.5
147.11714	22.7
149.09615	31.2
149.13248	6.0
151.11192	5.6
155.08540	4.7
157.10085	7.2
159.08112	5.2
159.11679	17.3
161.13263	10.6
163.11185	14.7
163.14621	4.4
169.10086	6.3
171.10167	13.4
171.11601	8.0
173.11783	8.6
173.13235	9.1
173.33792	3.9
175.11186	5.2
175.14766	5.9
177.12773	10.2
179.14186	5.8
183.11703	6.6
186.85590	4.5
187.13083	5.5
189.11206	22.0
201.50049	4.4
227.12772	21.9
229.14265	10.3
229.19376	7.5
239.17906	9.9
245.13792	17.1
247.20494	7.6
253.18001	8.2
257.18918	15.0
269.17444	12.6
275.20056	100.0
293.21112	10.7
309.14789	7.6
337.14050	6.9
349.23721	99.6
355.15402	5.8
367.24802	70.6
452.39026	4.3
511.28479	9.7
529.28534	11.8
529.35596	70.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.3906
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05496	2.6
57.07081	100.0
58.04209	5.3
59.04712	2.2
59.05003	34.5
60.08975	1.4
60.57733	1.4
61.44995	1.7
67.05498	1.8
69.07061	4.8
69.16612	12.8
69.17019	3.3
71.08237	3.8
71.08635	74.5
72.05764	1.7
73.02914	2.0
73.06575	2.4
80.06998	1.8
83.08626	3.6
85.10189	64.8
86.07328	4.0
87.04457	4.8
87.08142	1.7
89.06042	15.4
90.01920	18.0
95.08624	2.3
97.10171	4.0
99.11736	11.4
101.05959	2.1
101.09631	2.0
103.07572	2.8
107.08562	1.8
113.13251	2.9
117.09154	8.5
130.08591	1.9
133.08611	4.6
134.08925	2.1
152.15654	2.6
155.17964	9.0
178.07112	3.2
178.11453	1.8
183.17429	2.5
213.22174	16.2
217.69315	1.8
222.09686	9.4
223.15491	3.6
225.23085	1.4
240.10735	4.8
271.26309	8.5
298.14932	2.2
327.20071	2.2
328.20462	3.3
376.34305	5.2
474.99252	1.7
495.36133	2.0
527.38733	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	528.1143
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02382	1.4
53.03945	1.5
54.22268	1.4
55.05500	1.9
56.96563	2.1
57.03428	1.6
59.51847	1.3
67.05515	3.1
69.03432	2.4
69.07066	2.6
69.22397	1.4
69.27435	12.7
70.06591	9.4
72.08166	1.8
73.02913	1.2
73.32249	1.6
73.93356	1.2
78.03458	16.7
79.05508	2.8
80.05019	2.9
81.03420	7.7
81.07049	2.3
83.08633	1.7
84.04527	3.0
84.08172	1.9
85.02904	7.0
91.05511	3.9
93.07058	1.5
95.04949	2.7
96.04504	4.3
96.19176	1.1
97.02877	6.4
98.97597	2.4
105.07055	2.3
106.02930	37.3
106.03641	2.4
107.08615	2.9
109.02891	2.1
109.10200	1.9
111.08109	1.5
112.07600	3.2
116.98624	1.3
117.03385	2.4
119.06125	1.5
120.08085	1.6
121.06552	1.7
122.06071	1.5
124.03964	70.0
126.05538	1.8
131.00204	2.2
135.04459	3.1
137.05943	1.8
139.03896	2.3
140.07028	2.1
145.02856	4.3
147.04465	1.9
149.01234	1.5
153.01833	1.9
156.03592	1.4
161.05997	1.9
163.03932	22.0
164.04317	2.3
166.05069	3.0
177.05447	1.7
181.05058	1.5
193.12285	6.3
197.55287	1.4
201.05544	1.5
203.03429	2.4
204.08679	14.0
211.03984	3.4
225.05515	2.3
226.07022	6.3
229.05028	2.8
243.08852	3.0
245.04408	1.9
249.05615	1.4
253.04889	1.7
256.03577	1.4
257.04471	29.1
259.10104	1.4
260.03180	7.7
261.04016	4.3
263.01923	4.3
267.02768	2.4
267.16043	3.0
268.08209	2.2
268.10690	8.0
269.04385	1.4
271.06015	6.5
273.03952	37.5
274.04727	5.6
277.04913	2.0
281.04556	3.6
285.03976	28.8
285.07458	4.1
285.16940	8.3
287.05487	2.0
295.06012	9.3
297.03952	3.8
298.04834	1.8
299.02264	1.8
299.05484	20.4
301.03046	1.5
303.05005	100.0
309.04123	1.8
311.05972	1.2
313.07053	12.1
323.05545	13.8
325.03476	2.0
327.05032	29.1
351.05017	21.3
360.11240	1.6
369.06073	58.5
474.08310	6.7
492.09366	13.1
510.10382	24.1
527.24689	3.2
528.11377	5.3
528.25134	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	527.2471
Annotation	Unknow
Peak:m/z	Relative Intensity
52.25644	0.2
57.03421	0.3
60.75785	0.3
61.18950	0.2
63.33118	0.3
67.05512	1.0
67.45544	0.2
69.03429	0.7
69.07058	0.4
71.05000	5.7
71.52495	0.4
76.25514	0.2
79.05495	0.9
81.03439	0.5
81.07056	0.9
83.04996	0.4
85.02918	1.7
85.06525	0.6
91.05498	0.5
93.07029	0.4
94.79037	0.3
95.04977	0.4
95.08624	0.7
97.02923	0.8
97.06557	0.5
105.00397	0.3
105.03416	1.3
105.07037	0.8
105.58235	0.3
107.04955	0.3
107.08599	0.3
109.10167	0.7
113.06029	0.7
117.03421	0.5
119.08593	0.3
121.10162	2.6
123.04408	0.3
127.07595	1.2
133.02834	2.0
133.10118	0.6
137.05981	0.5
137.09633	2.6
139.03900	0.3
145.02855	0.7
145.08606	5.5
149.05978	0.4
163.03957	0.4
165.05579	0.4
177.05499	0.8
178.02670	1.0
185.04251	0.4
193.04982	14.1
203.05313	0.7
235.06120	1.1
245.06409	1.9
259.09613	0.3
261.18237	1.0
273.03906	0.4
275.07425	0.5
279.15948	0.5
279.19366	1.6
285.03918	0.6
285.10349	0.4
289.05316	5.5
289.08307	0.4
299.11487	0.4
303.05057	0.5
316.44171	0.4
321.19244	0.3
335.09500	14.5
406.43765	0.3
423.24142	0.5
441.24701	1.6
465.24765	1.0
483.26410	2.8
509.23624	3.8
527.24725	100.0
528.25183	0.8
547.99402	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.2467
Annotation	Unknow
Peak:m/z	Relative Intensity
51.50251	0.4
53.03940	0.9
53.41700	0.4
55.01860	0.5
55.05497	1.0
56.96568	0.6
61.02921	0.8
61.40094	0.4
67.05502	2.7
69.03420	0.7
69.07053	0.8
70.06589	0.5
70.91754	1.3
79.05497	2.3
81.03413	1.6
81.07059	2.2
83.08586	0.7
84.04505	0.6
85.02882	1.2
85.06494	0.4
89.11855	0.5
91.03972	0.5
91.05503	2.4
93.07046	1.8
95.04981	1.0
95.08600	1.0
97.02877	1.3
97.06524	1.3
97.10204	0.6
105.07021	1.6
107.04942	0.8
107.08583	1.3
109.02882	0.5
109.06531	0.6
109.10148	1.7
111.04446	0.5
115.11823	0.5
117.07046	0.8
119.08554	1.0
121.06537	0.4
121.10146	1.1
123.08018	0.5
126.05511	0.5
130.64714	0.4
133.10147	0.6
135.04385	0.5
135.08075	0.7
138.05466	0.8
142.07895	0.5
145.02798	0.5
145.10144	1.2
147.11646	0.6
149.09753	0.5
159.11656	0.6
161.09691	0.6
162.92592	0.5
163.03865	1.2
163.11241	0.6
203.05304	1.2
204.08638	1.0
209.11649	0.8
227.05252	0.8
227.12596	0.5
245.06284	3.9
259.09845	0.6
261.18265	2.0
267.15836	0.4
268.11612	0.5
271.04251	1.5
273.18607	0.7
279.06412	0.8
279.19315	3.6
289.05310	5.1
337.60712	0.5
337.64816	0.4
353.11594	0.4
365.23254	1.1
395.20712	0.7
423.23590	1.5
441.24680	5.0
465.24429	5.2
483.12802	1.8
483.25693	12.7
495.19452	0.6
509.23471	11.9
509.30612	0.7
527.11609	8.7
527.24622	100.0
528.25006	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.2475
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01858	0.6
55.05501	0.9
57.03435	0.7
66.98981	0.4
67.05506	2.8
69.03433	0.9
69.07063	1.8
69.56166	2.9
71.04985	0.5
79.05489	2.2
81.03407	0.8
81.07062	3.1
83.04999	0.8
83.08638	0.5
85.02909	1.6
85.06538	0.6
86.09663	0.4
91.04974	0.4
91.05464	2.4
93.07066	2.3
95.04982	1.0
95.08621	2.2
97.02901	1.6
97.06532	1.7
98.97572	0.5
105.07037	1.8
107.04986	0.8
107.08610	1.6
109.02893	0.5
109.06529	0.8
109.10173	1.4
110.48072	0.4
111.04437	0.6
117.07031	0.4
119.08608	1.2
121.10103	1.2
123.04491	0.6
125.09597	0.8
129.07002	0.5
131.08556	0.9
133.10168	1.0
135.11685	1.0
137.06009	0.5
137.09671	0.6
139.03946	0.8
143.08519	0.6
145.10112	0.6
147.11697	0.8
157.10191	0.9
159.11707	0.7
163.03937	1.5
165.09103	0.8
167.07126	0.6
177.05449	0.7
203.05307	1.6
209.11775	0.9
215.07045	0.6
235.03358	0.4
245.06462	1.1
260.85437	0.5
261.18307	1.2
271.04312	0.5
273.04053	1.2
279.19443	3.6
283.15475	0.4
289.05374	1.9
289.46158	0.5
303.04947	0.5
307.18912	0.5
365.23669	0.9
376.67014	0.4
411.23978	0.5
423.23441	1.7
441.24677	6.2
465.24664	3.7
483.25824	12.8
509.23572	12.4
509.30688	0.8
522.15515	0.5
527.24652	100.0
528.25128	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.1185
Annotation	2'-Benzoylmangiferin
Peak:m/z	Relative Intensity
50.01594	0.8
51.02161	0.3
51.02375	1.6
53.03714	0.5
53.03947	6.9
55.01869	0.6
57.03423	0.6
67.05488	0.5
68.99806	0.3
69.03427	0.9
69.07062	0.3
71.16750	0.6
72.01048	0.2
73.02914	0.4
77.03928	1.7
79.05495	1.2
81.03423	1.8
81.07049	0.7
84.15892	0.2
85.02909	2.3
91.05451	0.5
93.07076	0.3
95.04366	0.5
95.04973	7.4
95.08628	0.4
95.55944	0.2
97.02892	0.5
97.06548	0.3
101.27089	0.2
103.03944	2.4
105.03394	100.0
105.04527	4.4
106.03717	0.4
107.01290	0.7
107.05024	0.2
107.08572	0.2
109.02879	0.9
111.08057	0.2
118.06536	0.2
119.08610	0.3
121.02891	0.5
123.04421	1.0
127.03918	0.4
134.54135	0.3
143.04941	0.4
147.04443	0.3
147.11678	0.3
147.14308	0.3
149.02289	0.5
153.01828	1.1
155.04918	0.4
157.55461	0.3
165.05457	0.8
167.03310	0.6
169.10188	0.2
171.04433	0.5
177.01918	0.3
177.05370	0.4
187.03906	1.6
189.05496	0.4
194.28494	0.3
195.02820	0.3
199.03934	0.4
201.05450	0.7
203.03362	0.6
204.04234	0.4
205.05005	0.6
207.06578	1.4
211.03987	1.4
213.05527	0.6
215.03357	1.3
217.04987	1.7
218.05766	0.4
221.05934	0.4
225.05507	0.8
227.05208	0.4
228.04185	2.1
229.04991	1.6
231.02873	1.0
232.03673	0.3
233.04474	4.0
239.03337	1.6
241.04924	0.4
243.02863	0.7
245.04477	3.6
246.05244	3.3
249.03957	1.1
251.46568	0.3
253.05032	1.1
255.02899	0.3
256.03726	3.3
257.04434	6.4
258.05359	0.3
260.03174	2.6
261.03952	3.9
267.02908	1.4
267.06311	0.3
269.04483	1.5
271.03915	0.5
271.06119	1.0
273.03937	41.9
274.04718	15.4
275.05457	1.0
279.06247	1.0
281.04489	1.5
284.03110	0.3
285.03943	34.6
287.02185	0.7
287.05490	4.5
288.02737	0.3
295.06024	2.4
297.03836	2.8
298.04733	1.3
299.02142	0.4
299.05444	4.4
301.03448	1.3
303.04993	84.3
304.05276	0.7
309.03937	0.9
311.05447	0.3
312.02631	0.5
313.03384	1.6
313.07092	2.4
315.04608	2.0
317.06757	0.4
323.05539	3.7
325.03372	0.7
327.04993	25.4
333.05994	1.0
339.04971	0.5
341.06650	0.9
345.06064	0.5
351.04980	12.0
365.23727	0.3
369.06073	12.3
387.07144	1.8
473.08743	1.0
483.12714	2.1
491.09766	4.0
509.03122	0.3
509.10742	6.2
527.11786	37.3
527.23279	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	526.2188
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05495	1.8
68.67635	0.7
69.03418	1.2
69.07076	4.8
69.67961	1.5
69.68375	2.9
70.06609	0.8
74.18909	0.7
79.05485	1.8
81.07056	1.8
85.02917	2.0
91.05490	1.4
93.07036	1.8
94.06577	5.3
95.04981	1.0
95.08600	2.5
97.02882	1.0
97.06458	0.7
100.11287	1.3
107.08605	1.6
109.10146	2.5
110.06069	0.8
112.07612	1.2
118.06512	1.1
119.73016	0.6
120.04517	1.9
122.06022	8.0
123.04418	0.9
123.11660	1.2
124.07574	2.3
135.11726	1.1
136.07584	1.1
137.09579	0.7
137.13255	0.7
138.05513	1.4
138.09125	1.5
139.03879	1.6
140.07068	13.4
144.04430	1.8
146.05997	6.0
147.04404	0.7
147.06825	0.9
147.07970	0.8
151.03949	4.4
151.04947	0.9
152.07063	1.2
160.03986	0.9
162.05487	1.2
163.03923	3.4
166.05028	1.3
166.08633	2.1
172.03928	9.4
173.04720	1.2
174.05484	4.9
177.05411	0.9
190.05006	8.2
197.10721	1.0
204.06555	9.5
206.08124	3.2
209.10788	1.8
211.12337	1.6
212.09392	1.7
215.07079	0.8
216.10201	1.0
222.07869	1.0
223.12285	2.3
224.09401	1.0
225.10220	8.0
229.14565	1.4
234.09106	1.2
234.11490	1.0
235.08655	4.2
236.09357	6.0
237.10205	18.2
237.12457	1.4
238.08780	0.9
238.11044	1.9
239.11780	3.8
249.10201	4.5
250.11012	3.7
251.08035	1.5
251.11798	23.7
252.08899	4.2
252.12550	1.2
253.09796	6.8
253.13402	1.6
255.11310	3.2
261.12329	3.1
263.11984	1.3
264.08939	1.5
265.09723	30.8
266.10489	4.2
267.11295	16.9
278.06573	3.3
278.10376	1.8
279.11252	25.1
280.11908	3.4
281.09525	1.3
281.12827	3.1
282.10437	0.8
283.10788	3.3
284.11398	1.2
285.12317	3.6
291.11349	1.7
292.08133	1.4
292.27765	0.9
293.09219	22.0
293.12534	0.9
294.09964	3.6
295.10791	19.3
297.12354	9.1
307.10751	7.7
309.12286	6.9
310.13193	1.0
310.28082	0.9
311.10266	3.1
312.11026	3.2
313.08359	1.4
313.11835	21.8
324.11160	1.3
325.11829	40.9
326.12518	1.6
329.11417	1.2
331.12939	1.3
335.10254	20.2
337.11731	2.1
341.11050	0.8
345.14481	4.8
353.11310	100.0
354.12051	3.5
355.12793	2.4
369.14688	0.8
371.12247	0.9
385.13928	16.1
387.15408	1.6
450.20255	1.7
452.18250	2.5
453.18826	1.4
466.19736	5.0
476.18027	2.4
494.19220	91.0
498.22403	1.0
526.22302	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	525.3636
Annotation	Unknow
Peak:m/z	Relative Intensity
50.60654	1.7
53.03949	3.6
55.05513	13.4
57.03422	2.5
57.07057	8.6
58.89544	1.6
59.04990	2.5
59.64216	1.8
61.02923	2.4
65.22958	1.8
67.05504	20.3
69.03419	5.6
69.07074	40.0
69.45842	13.6
71.04996	2.1
71.08620	4.0
72.08158	3.8
79.05500	13.4
81.03413	3.6
81.07063	100.0
83.05000	3.8
83.08627	18.5
85.02889	6.5
85.06528	11.0
91.05486	9.5
93.07052	31.2
95.08614	71.0
97.02908	5.1
97.06572	9.6
97.10174	6.0
98.07426	1.9
99.08104	6.3
105.07048	11.4
107.08591	36.3
109.10162	48.5
110.07122	1.8
111.08093	16.5
111.11725	12.5
111.39706	2.0
119.08585	11.7
121.10139	24.0
123.04411	3.0
123.11710	38.7
125.09653	3.2
125.13292	2.2
133.10147	5.5
135.11708	21.6
137.05974	2.6
137.13255	30.1
139.03917	2.7
139.11206	5.6
141.12715	3.1
147.04332	2.5
147.11688	8.5
149.13252	21.2
151.14815	4.2
151.76187	1.9
153.12775	15.6
155.14322	6.2
157.54941	1.8
161.13261	4.6
163.03961	3.7
163.14740	9.9
165.09128	4.1
165.12752	14.0
165.16327	2.8
167.14317	3.5
171.13853	5.5
177.16386	8.0
179.14342	2.6
183.13792	6.0
191.17976	6.5
201.14877	3.5
203.17867	3.4
205.19609	2.9
217.19540	4.9
220.12608	2.0
261.25674	4.4
273.25757	15.9
279.26868	8.7
291.26846	45.8
297.27829	9.9
309.27896	27.3
327.28967	23.6
427.25986	2.3
473.50610	2.1
525.23828	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	525.4154
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.5
55.01871	1.8
55.05516	10.3
56.21529	1.4
57.03421	2.4
57.07078	33.1
58.45138	1.4
59.04988	2.3
61.84180	1.3
67.05508	66.8
69.07063	12.0
71.04996	49.8
71.08634	25.3
71.12375	3.3
78.90347	1.3
79.05487	14.8
81.07056	29.2
83.04984	8.0
83.08625	13.8
85.06557	4.9
85.10186	16.4
86.09695	2.7
87.04466	1.6
91.05489	23.2
93.07048	24.4
95.04988	4.4
95.08611	31.4
97.06544	5.2
97.10160	7.0
98.21417	1.9
99.11784	1.4
102.33907	1.6
104.10744	5.7
105.07032	4.7
105.11127	2.0
107.08598	10.3
109.06551	1.8
109.10159	51.3
111.08093	1.9
111.11726	1.8
117.07043	2.8
119.08590	15.8
121.10156	5.8
123.11714	5.0
124.99963	1.8
125.09601	1.7
133.08621	1.9
133.10190	2.8
135.11707	16.1
137.09630	21.2
137.13199	1.7
145.10149	4.2
147.08025	2.7
147.11722	3.6
155.10683	5.8
163.11177	4.3
169.12305	8.3
181.12309	4.6
184.07407	4.4
187.13422	1.7
239.23798	6.2
255.16188	1.9
258.91623	1.8
269.17432	3.5
271.15482	3.1
281.19052	6.6
313.27408	2.2
327.29028	2.4
339.29263	3.3
341.26926	3.2
395.18253	1.6
481.32672	1.5
481.38919	24.7
493.38654	3.0
525.41614	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.364
Annotation	Unknow
Peak:m/z	Relative Intensity
52.03889	2.4
53.03948	3.7
55.05513	10.6
56.96565	2.8
57.07074	10.4
57.27930	2.1
61.02929	2.8
65.03952	3.1
67.05510	20.9
69.03428	4.0
69.07069	41.7
70.06590	3.5
71.03739	2.9
71.04070	4.5
71.04981	2.7
71.08656	5.6
72.08148	2.4
79.05515	15.8
81.03425	2.8
81.07063	100.0
82.43891	2.6
83.08624	14.8
85.02888	9.4
85.06557	15.9
91.05481	9.3
93.07044	40.9
93.07621	2.5
95.04960	2.8
95.08614	80.0
97.02879	5.5
97.06551	5.2
97.10168	9.2
98.97589	15.1
99.08096	8.9
100.11213	2.9
105.07011	12.1
107.08595	40.1
109.09467	4.6
109.10167	58.5
111.04440	2.5
111.08067	9.9
111.11717	7.6
113.09682	2.9
116.98605	4.5
119.08571	10.3
121.02861	26.5
121.10147	29.0
123.11723	53.2
125.09628	3.2
125.13295	2.7
127.03958	3.9
131.00208	3.9
133.10124	8.1
135.11705	24.8
137.13266	31.7
139.03889	3.4
139.11186	8.2
141.12717	4.3
145.10182	3.0
147.11679	8.1
149.13268	27.2
151.14836	3.7
153.12767	13.1
158.99684	8.4
161.13284	6.2
163.03954	12.1
163.14877	13.4
167.14343	7.4
173.01234	6.4
175.14787	3.7
177.16402	11.0
179.18024	4.5
189.16388	3.3
191.17966	10.7
203.17967	5.1
205.19528	5.3
217.19528	7.1
229.05191	2.4
252.61667	2.4
261.25787	5.1
273.03888	6.7
273.25751	15.5
279.26865	14.4
285.04028	4.8
289.05316	3.7
291.26831	70.2
297.27856	6.7
309.27859	38.3
319.15936	4.7
327.05038	4.8
327.29019	17.2
345.30026	4.2
369.06143	3.5
387.45511	2.6
439.20224	4.5
479.56918	2.8
481.21042	3.6
507.34409	3.1
525.22961	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	525.306
Annotation	Carthamosterone B
Peak:m/z	Relative Intensity
51.80594	2.6
53.03938	9.6
55.01860	9.1
55.05515	32.4
57.03437	12.0
58.90629	2.7
59.05002	13.9
61.69026	2.6
65.03924	3.7
67.05509	62.8
69.03423	5.7
69.07070	24.3
70.59544	2.3
70.96724	6.2
71.04995	30.5
72.97865	2.6
79.05065	5.0
79.05497	59.3
81.03420	68.4
81.07059	66.6
83.04973	18.8
83.08617	31.6
85.02899	3.9
85.06546	10.6
87.04452	2.4
91.02222	2.5
91.05486	65.2
92.68713	2.6
93.07050	50.1
95.04976	35.0
95.08611	28.6
97.02905	9.3
97.06536	16.3
97.10175	23.4
99.04456	4.2
105.07034	43.3
107.04961	17.1
107.08605	37.3
109.06534	12.7
109.10186	16.4
111.04462	10.9
111.08082	13.4
113.06004	4.5
115.05479	2.5
117.07035	9.6
119.08577	30.7
121.06521	10.2
121.10158	33.9
123.04462	8.2
123.08093	7.3
125.06016	3.5
125.09610	18.3
129.07025	20.3
131.08563	33.2
133.06499	6.3
133.10136	29.4
135.04420	10.4
135.08066	10.2
135.11697	14.1
137.05980	6.4
137.09601	5.0
142.07773	5.1
143.08591	5.9
145.06464	6.0
145.10101	12.4
146.00406	2.6
147.08081	9.0
147.11710	28.0
149.05905	2.8
149.09625	37.3
153.09145	7.1
153.12807	6.0
155.08548	3.8
157.10138	23.1
159.11678	5.3
161.13263	3.1
163.07640	3.0
163.11176	15.9
165.12830	4.9
167.10693	6.7
169.10074	4.9
171.11671	3.2
173.09656	3.5
175.11191	25.3
181.12314	9.6
183.11772	3.6
185.13254	4.0
189.11264	9.8
191.10683	5.2
193.12241	54.3
197.15454	3.3
199.13333	3.5
201.12721	5.0
201.51726	2.7
203.14503	3.9
207.13757	3.0
209.11792	11.5
211.13289	69.0
223.13213	3.3
225.14792	18.7
227.12724	13.0
229.12337	3.4
231.13834	5.6
235.13269	3.3
249.14891	19.0
263.16422	4.5
267.15942	14.5
283.15512	9.3
328.15570	2.7
337.21310	3.3
355.22729	10.5
363.57233	2.7
365.21335	8.7
373.23892	6.4
383.22174	22.6
401.23138	23.6
415.24939	5.5
419.24054	3.9
421.26062	3.1
422.46555	2.3
433.26016	16.1
447.27280	3.7
451.27057	5.6
457.25864	8.9
475.26981	32.7
489.28546	6.3
493.28137	30.0
507.29584	79.1
525.30652	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.3061
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	7.4
55.01873	13.3
55.05518	25.6
57.03434	9.3
59.05000	10.6
61.36464	2.2
65.03933	4.8
67.05508	55.6
67.93534	2.3
69.03436	4.2
69.07082	13.0
70.69524	5.6
71.04997	22.7
79.05495	55.1
81.03420	58.7
81.07060	47.3
83.04977	17.7
83.08620	27.2
85.02920	5.0
85.06540	7.1
87.04474	6.2
91.05485	54.4
93.07047	44.7
94.46909	2.2
95.04967	30.9
95.08617	21.7
97.02880	7.3
97.06536	13.3
97.10177	19.5
99.04476	3.6
99.08105	2.4
105.06387	3.9
105.07034	39.5
107.04939	20.8
107.08601	38.1
109.02931	3.3
109.06536	9.7
109.10172	11.9
111.04435	12.5
111.08088	11.5
115.05523	3.9
117.07036	11.4
119.08600	28.3
121.06536	9.2
121.10148	33.1
121.29835	2.3
123.04443	9.5
123.08064	5.6
123.11694	4.3
125.05940	3.2
125.09624	16.5
129.07004	20.2
131.08578	30.0
132.08243	2.7
133.06525	7.5
133.10144	29.0
135.04414	13.6
135.08090	9.1
135.11711	10.8
137.05998	4.8
137.09633	4.9
142.07774	3.3
143.08575	5.1
145.06497	6.2
145.10133	11.8
147.08083	7.1
147.11705	25.2
149.09618	37.9
151.11234	4.4
153.09163	7.2
153.12767	8.5
155.08556	2.7
157.10155	22.8
159.11679	4.8
161.06064	2.7
161.09616	2.4
163.07518	3.2
163.11136	15.8
165.12773	5.7
167.10690	5.4
169.10146	3.8
171.11639	2.8
173.09686	6.9
175.11176	25.9
181.12254	7.5
185.13313	4.7
187.11270	5.2
189.11252	12.3
189.12720	3.1
191.10704	6.4
193.12250	59.3
197.15361	5.6
199.11400	2.9
199.13345	5.9
201.12715	3.2
203.14420	3.6
205.12239	2.6
207.13936	3.7
209.11749	13.9
211.11404	3.2
211.13286	87.1
211.15297	5.4
215.10741	2.5
223.13269	3.1
225.14832	14.8
227.12709	13.5
231.13861	4.4
235.13293	6.0
243.16010	2.7
247.13412	2.6
249.14874	19.5
253.14323	3.8
267.15988	12.3
275.16464	2.4
281.17743	2.4
283.15405	11.3
337.21567	4.2
347.20178	4.3
355.22855	11.9
365.21176	8.0
373.23773	5.6
383.22232	28.8
401.23251	29.7
415.24832	7.2
419.24350	5.2
421.25916	5.3
433.25940	22.8
447.27628	4.0
451.27036	5.5
457.25934	9.0
475.26926	40.1
489.28348	7.6
493.28009	36.0
507.29572	96.2
508.30005	2.9
525.30634	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.2309
Annotation	Unknow
Peak:m/z	Relative Intensity
53.47406	0.2
55.05509	0.3
56.59536	0.2
56.96557	0.4
62.85587	0.2
62.95042	0.2
67.05500	0.3
69.03436	1.3
69.07061	0.3
69.24346	0.2
70.06587	0.2
71.52732	0.3
79.05514	0.5
81.03422	0.4
81.07050	0.7
83.04954	0.3
83.08610	0.4
85.02883	0.7
87.04453	0.5
91.05484	0.5
93.07037	0.6
95.04953	0.3
95.08607	0.7
97.02880	0.8
98.97585	2.2
99.08108	0.2
103.29250	0.2
105.07079	0.5
107.04940	0.2
107.08572	1.6
108.08942	0.3
109.10149	0.3
112.99120	0.3
115.03887	0.4
115.05495	0.2
116.98652	0.5
119.08559	0.2
120.73119	0.3
121.06540	0.4
121.10136	1.0
122.10477	0.3
123.04385	0.2
124.99140	0.4
127.03893	0.2
128.98657	0.2
131.08578	0.3
133.04944	0.4
133.10136	1.8
135.04443	0.4
135.08060	0.4
135.11838	0.2
137.09630	1.4
138.09929	0.3
139.03902	0.3
143.00186	0.3
147.04396	0.7
149.13280	0.4
150.13554	0.2
153.05470	0.3
158.99673	0.5
163.03925	1.2
166.04886	0.3
169.44275	0.2
170.99680	0.5
177.16400	1.6
178.16750	1.0
182.99658	0.3
185.03853	0.2
189.00758	0.3
191.14297	1.3
192.14662	0.3
195.17464	0.4
196.17850	0.4
201.00755	0.5
213.18542	0.7
214.18793	0.6
219.01810	0.5
231.01707	0.4
231.13512	0.2
235.05733	0.2
237.03070	0.3
243.08672	0.2
249.02870	0.8
259.10214	0.4
268.10611	0.4
271.10168	2.5
271.60278	1.6
272.10532	0.5
273.61877	0.5
275.07428	0.4
289.05576	0.2
291.03940	0.7
307.12061	0.3
317.08481	0.3
329.17480	0.6
333.08096	0.7
335.09393	2.7
347.18591	0.3
376.92691	0.2
393.18741	0.9
413.18286	0.3
435.19891	0.7
524.73816	0.7
525.23083	100.0
526.23846	1.2
527.76782	0.2
541.19446	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.2312
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	0.5
67.05489	1.0
69.03424	0.6
69.07050	0.4
69.40225	1.3
69.40636	0.9
71.04990	1.2
74.43702	0.4
79.05492	0.7
81.03378	0.4
81.07046	1.3
83.08621	0.5
85.02911	0.7
91.03962	0.3
91.05478	0.9
93.07043	1.3
95.05001	0.4
95.08597	1.1
97.02837	0.4
97.06530	0.5
98.97597	0.7
105.07009	0.8
107.08591	1.0
109.10181	1.0
111.08055	0.4
112.72495	0.3
121.02911	0.4
121.10160	0.8
123.04400	0.4
123.11695	0.4
127.00005	0.4
133.10139	0.6
137.05923	0.3
139.03862	0.6
141.05251	0.5
145.10222	0.4
163.03990	0.7
169.01077	0.4
169.04707	2.3
170.05421	0.3
177.08920	0.4
185.04210	0.3
199.05772	0.4
203.05334	1.5
207.13593	0.7
227.05237	0.5
243.04776	0.4
245.06313	7.7
245.08588	0.6
259.16699	4.4
271.04340	0.4
277.17752	7.1
289.05304	4.3
305.17117	0.4
332.11926	0.5
361.38806	0.3
369.18945	0.8
411.20050	2.5
421.22076	1.1
439.23029	5.0
455.19180	0.5
463.23065	2.6
481.24130	18.7
507.22012	3.3
525.23083	100.0
526.23108	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.2313
Annotation	Javanicolide C
Peak:m/z	Relative Intensity
67.05511	0.5
71.04996	0.8
71.16545	0.5
71.16875	0.6
72.08115	0.4
77.22786	0.4
81.07048	0.9
86.09727	0.4
90.54529	0.4
91.05463	1.0
93.07042	0.8
95.08631	1.5
105.07092	0.5
107.08611	0.9
109.10149	0.7
121.10112	0.6
133.10120	1.0
149.13281	0.7
163.03807	0.5
169.04730	2.6
177.08926	1.1
178.64099	0.4
185.04262	0.5
186.82527	0.4
203.05363	0.8
227.05382	0.8
243.05020	0.5
245.06345	4.5
249.10416	0.5
259.16690	5.7
277.17746	6.9
289.05359	2.7
304.58652	0.4
346.41159	0.5
369.18954	1.7
411.19958	3.5
421.22092	2.3
439.23074	6.2
455.19003	0.5
463.23172	2.6
469.10168	0.5
481.24109	22.4
507.21774	3.1
525.23120	100.0
525.29382	4.1
526.23291	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.0097
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96567	1.9
70.33566	3.0
71.95256	1.1
79.16273	0.7
84.84573	0.8
87.44257	0.8
98.21455	1.0
98.97586	62.8
116.98626	29.2
134.99657	6.1
216.98938	3.1
225.74847	0.8
234.99925	4.7
240.98770	10.0
256.96732	1.8
258.99844	72.0
260.00131	2.1
261.00430	1.0
261.03192	2.6
264.98904	1.8
274.97772	5.4
275.97971	1.4
277.00873	58.8
278.01056	1.5
279.01157	0.8
282.99991	35.6
284.00165	2.2
284.99847	1.9
298.97781	5.7
299.97916	1.0
300.02490	1.0
301.01062	30.1
302.01318	2.0
303.00934	1.2
316.95511	1.3
316.98941	8.6
317.98959	1.9
340.99261	2.1
355.41104	0.8
356.97342	1.0
359.00070	15.6
359.04443	1.0
364.98840	4.1
383.00000	25.2
384.00055	1.0
401.01102	100.0
402.01343	2.6
403.01282	1.1
419.02036	7.4
422.97861	1.0
424.02725	2.7
425.01419	2.8
429.90091	1.0
440.99179	2.8
441.98990	3.1
443.02405	5.5
458.99765	1.8
459.99844	3.1
483.00104	2.4
507.00150	10.0
510.40131	0.8
525.01282	76.1
526.01453	1.9
542.98730	4.4
548.03064	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.1091
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	0.8
55.50909	0.7
56.96570	4.1
57.03444	0.9
61.02922	1.7
67.73473	0.7
69.03435	3.9
71.04994	1.0
71.51561	1.1
73.02921	2.7
79.05491	1.4
79.59451	0.7
81.03435	1.0
84.04499	0.8
85.02905	12.1
89.03915	12.0
90.04267	1.0
90.53709	0.8
95.04971	1.4
97.02886	3.9
98.97587	2.2
101.00868	1.4
103.02443	1.1
107.04967	2.2
109.02930	0.9
117.03389	13.9
119.01883	0.9
119.63565	0.7
121.02914	1.2
127.02406	1.3
127.03915	5.1
128.00192	1.3
131.01909	2.9
135.04419	22.6
136.04790	1.3
143.00111	1.8
143.02039	3.8
145.02731	15.3
145.04993	3.8
146.01277	1.1
148.06039	0.8
153.03899	1.3
155.01874	2.0
157.03568	0.9
158.99730	1.4
161.02953	3.9
163.03906	100.0
164.04265	5.2
167.05576	0.9
169.03438	7.9
171.05048	2.0
173.03000	3.3
174.04497	1.7
181.03471	1.0
183.05028	3.6
185.01048	1.6
185.02945	3.4
187.04544	4.8
189.01923	2.9
192.05556	2.7
193.03470	1.5
197.02972	4.2
199.04634	0.9
203.02036	3.8
203.04063	2.9
207.03207	1.3
209.02953	1.9
211.02823	0.8
215.04051	2.2
218.92030	0.8
219.01796	1.1
219.03749	0.9
221.02965	45.3
223.04555	1.2
227.03993	2.0
231.01694	1.2
233.05022	2.3
237.00652	1.7
239.04056	10.0
241.02014	1.0
241.05577	1.7
245.02872	1.1
245.05061	7.4
246.05429	0.8
247.04573	1.5
249.02582	1.2
251.06242	1.1
255.01793	1.9
255.07199	1.1
257.05112	9.6
261.06229	1.0
263.03879	1.4
263.06186	2.2
264.07745	5.4
265.05774	1.2
269.04950	1.1
271.04510	8.0
272.56610	1.3
273.02707	3.0
273.08316	9.8
273.58334	2.1
275.06274	1.4
281.05109	1.1
283.06747	3.0
285.04459	1.0
287.06183	2.3
289.05637	3.3
291.03680	1.5
297.06036	1.1
299.04065	2.7
301.01999	2.2
305.05038	1.6
307.06732	1.9
309.04440	5.0
313.04230	1.1
315.03732	1.1
315.07126	1.9
317.04886	0.9
327.05475	3.0
331.04932	6.3
333.04541	13.9
345.06577	3.5
349.06995	1.6
351.05719	6.2
353.59549	1.2
354.10715	1.3
358.79462	0.8
359.06125	2.8
363.07657	5.9
365.09448	1.4
369.06604	4.7
377.07172	29.2
395.08255	11.5
413.09436	6.2
425.11215	2.2
439.10358	0.9
449.09171	4.1
465.08133	1.2
493.08298	7.8
507.09903	2.2
525.10663	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	524.3715
Annotation	PAF C-16
Peak:m/z	Relative Intensity
55.05505	0.4
56.05037	0.4
57.03434	0.2
57.07080	1.0
58.06604	0.5
60.08166	5.5
63.64162	0.3
63.83967	0.2
64.79211	0.2
65.03957	0.2
67.05499	0.7
69.07098	0.3
70.12523	0.2
71.07371	2.9
71.08627	0.6
79.05475	0.2
81.03436	0.3
81.07056	0.7
85.10184	0.3
86.09707	30.0
91.05473	0.4
95.08603	0.6
98.21519	0.4
98.98460	2.8
104.10746	3.3
105.07079	0.5
107.08626	0.3
109.10133	0.4
117.07030	0.3
119.08610	0.5
121.10154	0.2
125.00008	19.3
131.08530	0.2
142.11465	0.2
143.01015	0.2
143.30357	0.2
184.07341	100.0
185.23059	0.2
209.31261	0.2
267.15778	0.3
313.27350	0.4
314.27689	0.4
327.33365	0.2
375.13736	0.2
451.24344	0.2
506.35559	1.0
524.24493	0.3
524.37134	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.3949
Annotation	Unknow
Peak:m/z	Relative Intensity
52.59304	2.0
54.63749	2.0
55.05511	13.1
57.07060	6.4
65.33057	1.9
67.05514	15.3
69.07066	21.0
71.05008	13.1
71.52641	3.2
73.06532	2.2
79.05473	8.3
81.07061	28.4
83.04975	3.9
83.08619	13.2
85.06476	3.2
86.09676	3.5
91.05469	10.8
93.07040	30.6
95.08607	45.6
96.49029	1.9
97.10148	5.9
99.08087	6.5
105.07020	30.1
107.08593	60.8
109.06504	2.6
109.10159	55.7
109.82650	2.1
111.08067	4.5
117.06995	4.0
119.08587	50.0
121.10147	77.6
123.11706	24.9
124.99989	2.3
125.09628	8.4
127.11205	15.8
131.08611	11.7
133.10132	61.7
135.08054	5.8
135.11705	51.1
137.09592	4.1
137.13216	9.3
139.07484	3.0
139.11156	2.3
143.08566	3.4
143.10680	8.3
145.10130	20.6
147.08051	3.5
147.11688	35.4
149.09625	3.8
149.13280	34.1
153.09084	9.1
157.10213	5.2
159.11697	22.4
161.13249	34.3
163.14848	10.7
165.09067	3.2
167.10641	4.7
171.11707	5.2
173.13234	10.9
175.11166	3.3
175.14795	15.3
177.16353	6.9
179.10704	2.7
179.53085	2.3
181.12294	6.3
182.43727	2.5
183.11742	3.1
184.07368	8.8
185.13211	6.2
187.14853	13.0
189.12689	3.1
189.16382	20.9
191.14398	2.9
191.17909	8.1
199.14774	5.8
201.16385	28.4
203.17961	39.6
205.15843	5.3
205.19481	3.6
207.17390	6.2
207.76080	2.3
208.46184	2.1
209.15384	4.3
211.14812	2.7
213.16360	5.2
215.17963	9.3
217.19444	14.8
219.13873	2.0
219.17409	3.0
221.15334	3.8
221.18991	8.0
223.16876	2.4
223.48068	2.3
226.85558	2.4
227.17880	2.3
229.19507	4.0
235.17038	2.8
243.21127	3.4
245.15451	3.5
245.22607	2.4
247.17046	2.5
249.15047	3.5
255.21008	2.4
343.22836	2.3
365.32047	2.6
383.33017	5.4
407.33124	11.4
411.32883	13.7
425.28940	3.6
425.34183	47.6
429.33505	7.9
435.32495	18.7
443.35168	45.1
453.33630	95.7
461.36279	4.4
468.21689	2.3
471.34686	100.0
489.35773	31.8
507.19879	2.3
524.32672	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.3714
Annotation	2-octadecanoyl-sn-glycero-3-phosphocholine
Peak:m/z	Relative Intensity
55.05492	0.5
56.05037	0.8
57.03439	1.0
57.07082	3.6
58.06599	1.1
60.08165	16.4
67.05518	0.6
69.07059	0.6
69.16312	5.4
71.07378	5.8
71.08627	1.8
81.07069	0.8
83.46214	0.5
84.21537	0.5
85.10156	1.2
86.09707	49.3
89.18127	0.5
95.08617	1.3
98.20762	0.9
98.98451	2.9
104.10745	100.0
109.10088	0.6
125.00008	24.8
131.01039	0.4
156.29152	0.5
163.01544	1.0
181.02522	0.6
181.81699	0.5
184.07341	96.3
185.07660	0.6
206.40868	0.6
217.06812	0.5
258.11166	0.9
313.27432	0.7
314.27737	0.9
341.30466	2.0
351.44836	0.5
506.35977	9.6
524.37122	47.0
525.36768	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.2131
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	0.7
64.13783	0.2
65.03943	0.2
67.05502	0.5
69.03416	1.0
69.07065	0.3
69.38163	0.2
70.06598	0.3
71.52778	0.2
71.53158	0.2
73.02927	0.3
75.72521	0.2
78.03439	0.3
79.05489	0.5
81.03416	1.3
81.07057	0.7
81.75040	0.2
83.08633	0.2
85.02899	1.9
85.06557	0.2
87.00840	0.4
91.05492	1.1
91.88814	0.2
93.07046	0.6
95.04961	0.5
95.08603	0.5
96.04493	12.7
97.02892	100.0
98.03210	0.3
99.04447	0.6
103.86806	0.2
105.01862	0.5
105.03391	6.4
105.04478	0.3
105.07022	0.4
107.04950	0.2
107.08614	0.4
109.02879	0.8
109.06572	0.2
109.10142	0.4
111.04435	0.3
114.05517	0.3
115.03941	0.2
119.08566	0.3
121.06507	0.4
123.04432	0.5
127.03912	1.2
133.10123	0.3
133.48499	0.2
136.07588	1.6
139.03937	0.6
145.04997	0.3
145.10103	0.3
149.05989	0.8
159.02902	0.3
163.03918	0.7
165.05328	0.2
170.22261	0.2
176.54999	0.2
181.08656	0.3
190.92574	0.2
193.31578	0.2
195.06609	0.2
201.05415	0.2
219.06557	3.2
224.56325	0.2
227.12720	0.2
237.07587	3.9
250.09663	0.5
254.10286	0.3
276.12277	2.8
312.19455	0.2
381.11685	0.7
524.16486	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.3219
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	6.5
57.03429	2.9
65.48263	2.0
67.05177	3.4
67.05505	31.8
69.07067	8.7
69.73740	4.9
69.74155	4.7
76.32714	1.8
77.68373	1.6
79.05495	14.2
81.07055	32.0
83.05001	2.8
83.08601	6.9
91.05488	20.7
93.07043	16.3
95.08608	24.5
97.06511	3.7
105.07040	7.0
107.08599	8.4
109.10180	11.0
111.08099	1.9
119.04942	21.6
119.08620	5.4
121.10159	16.6
123.11700	3.0
131.08586	5.7
133.10144	10.4
135.11723	10.9
145.10162	3.3
147.04416	100.0
147.11705	3.1
149.13164	2.6
151.11171	3.3
159.11786	2.2
165.05505	8.5
169.93941	2.2
215.18094	8.8
221.08018	2.0
233.19014	12.1
235.20587	3.3
246.10944	1.8
251.20039	11.1
289.21710	3.4
307.22684	3.9
325.23718	55.5
345.87500	2.0
469.78253	1.9
471.27325	3.6
489.28369	22.2
538.54254	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	523.3995
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	3.4
53.85625	1.4
54.75294	1.6
55.01876	1.9
55.05510	14.2
55.65666	1.6
57.03444	11.7
57.07079	41.0
67.05509	29.4
69.03427	3.5
69.07067	11.3
69.52711	11.6
71.04998	3.3
71.08629	29.3
79.05495	18.3
81.03421	64.5
81.07053	30.9
83.04975	7.7
83.08620	25.5
85.02921	13.6
85.06546	2.3
85.10186	20.3
91.05482	18.8
93.07024	10.8
95.04974	19.4
95.08610	30.4
97.02821	1.5
97.10159	6.6
105.07047	16.4
107.04952	3.9
107.08603	6.1
109.06554	3.2
109.10159	12.8
111.08041	3.7
117.24282	1.6
119.08590	10.4
121.06504	2.2
121.10146	11.0
123.11708	5.8
129.06992	6.8
131.08583	6.1
133.06429	1.7
133.10136	5.1
142.07823	2.5
147.08067	2.1
147.11658	8.9
149.09621	4.1
157.10078	8.4
165.12898	2.0
175.11235	11.5
178.17827	1.5
184.07373	2.4
193.12245	63.1
211.13281	29.4
239.23705	8.9
249.14862	3.5
267.15921	48.9
267.18607	3.0
313.27365	54.3
432.42065	1.7
505.39020	32.3
523.39923	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.3995
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22137	1.7
51.72747	1.6
52.54967	1.7
53.03937	4.0
55.05514	12.9
57.03248	1.4
57.03445	19.7
57.07075	45.5
61.18045	1.9
61.20679	1.8
67.05503	19.4
69.07058	7.9
69.14320	19.8
71.08635	26.6
72.09433	2.0
79.05486	11.7
81.03418	81.5
81.07055	26.2
83.04973	3.6
83.08630	24.0
85.10179	16.3
89.06053	3.7
91.05482	18.8
93.07047	7.7
95.04976	22.7
95.08604	21.2
97.10181	6.2
98.20778	3.2
100.78037	2.0
105.07028	11.8
107.04968	4.7
107.08576	4.4
109.06518	3.2
109.10167	10.6
111.08064	6.2
115.94862	1.9
119.08598	10.6
121.10143	4.4
123.11738	3.9
129.06999	5.9
131.08560	6.1
133.06552	3.3
133.10109	4.5
142.07761	2.6
147.08023	4.0
147.11702	4.8
149.09645	4.9
152.78418	2.4
157.10118	7.3
175.11209	8.5
178.69095	1.9
193.12250	40.2
211.13312	4.6
228.13087	2.8
239.23672	5.4
249.14920	4.4
257.24707	2.4
267.15918	100.0
308.88693	2.0
313.27359	89.7
505.38904	63.4
523.40155	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	523.3995
Annotation	Unknow
Peak:m/z	Relative Intensity
52.88892	1.7
53.03936	4.2
55.05519	11.3
57.03441	18.0
57.06841	2.3
57.07081	36.4
60.08140	3.1
67.05508	17.2
69.03437	2.4
69.07054	8.2
69.52730	14.2
71.08626	21.7
79.05487	12.0
81.03419	79.0
81.07054	22.4
83.04966	4.2
83.08206	2.5
83.08627	23.3
85.10184	16.7
86.09716	9.9
91.05482	12.9
93.07024	8.2
95.04964	16.4
95.08049	2.8
95.08604	21.9
97.10173	5.8
104.10749	18.1
105.07014	9.5
107.04970	4.5
107.08579	4.0
107.46581	2.1
109.06483	2.5
109.10144	11.1
109.54012	2.0
111.04479	1.9
111.08121	4.7
111.11812	1.9
114.84442	1.9
119.08602	9.6
121.10126	2.3
123.08002	2.1
123.11729	1.9
124.99987	5.5
129.06975	11.8
131.08580	10.0
133.10185	2.4
147.11697	6.3
149.09631	4.3
157.10159	10.7
163.11154	2.0
165.12814	2.3
175.11183	8.6
184.07309	14.5
193.12227	38.1
211.13362	3.0
239.23634	4.6
249.14810	3.5
267.15918	99.6
278.18738	1.9
313.27356	100.0
379.19150	2.1
505.38876	66.9
523.39435	4.9
524.37012	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	523.3996
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	5.0
55.05516	14.6
56.01791	2.2
57.03438	21.7
57.06831	3.4
57.07081	46.0
59.61113	2.8
60.08147	2.5
67.05516	24.9
69.03409	2.3
69.07072	12.5
70.17372	4.7
70.17754	5.4
71.05000	2.9
71.08638	32.4
72.74570	2.4
79.05506	14.6
80.27641	2.2
81.03423	93.1
81.07053	29.3
83.04968	3.8
83.08615	26.2
85.10178	14.6
86.09708	8.4
91.05489	17.6
93.07044	8.5
95.04984	20.9
95.08620	23.0
96.05898	2.6
97.02845	2.5
97.10172	6.9
99.11772	2.3
104.10748	22.7
105.07024	13.7
107.04960	6.4
107.08572	3.8
109.06537	2.6
109.10139	14.5
111.08087	5.7
119.08587	10.2
121.10126	4.1
123.11726	5.2
125.00005	4.8
129.07016	10.7
131.08557	8.2
133.06454	2.9
133.10146	3.5
142.07834	3.0
147.11653	3.6
149.09610	3.4
157.10120	11.0
175.11176	10.6
184.07318	18.0
193.12271	43.7
211.13358	4.3
239.23738	5.8
249.14919	3.8
255.55818	2.6
267.15939	100.0
297.17822	2.3
313.27396	96.6
505.38934	74.9
523.39734	9.0
524.37317	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	523.3995
Annotation	Unknow
Peak:m/z	Relative Intensity
51.86266	1.2
53.03936	3.7
55.01872	2.6
55.05513	10.0
57.03440	18.1
57.06791	1.9
57.07076	37.4
67.05178	2.0
67.05507	21.3
69.03436	2.2
69.07073	10.8
71.05004	1.1
71.08634	24.8
79.05492	14.3
79.42258	1.0
81.03419	87.4
81.07053	23.2
83.04983	4.4
83.08620	24.3
84.18830	1.0
84.46655	1.2
85.02925	2.2
85.06546	1.9
85.10188	14.1
89.05991	1.7
90.18835	1.0
91.05488	15.9
93.07030	7.3
95.04971	20.7
95.08608	24.1
97.02943	1.6
97.06556	1.3
97.10184	5.8
99.08082	1.4
103.07590	1.5
105.07045	11.9
107.04951	5.1
107.08591	3.5
109.06563	2.9
109.10165	12.0
111.04478	1.5
111.08083	8.1
111.11684	1.1
119.08590	11.0
121.06520	1.2
121.10138	6.4
123.08055	1.5
123.11707	5.0
123.87885	1.2
129.07007	8.9
131.08533	7.5
133.06485	1.8
133.10114	3.4
137.13254	1.4
142.07814	1.6
147.08061	2.7
147.11647	7.1
149.09631	3.7
151.14883	1.2
157.10130	8.0
165.12801	1.4
165.16396	1.2
175.11183	9.7
193.12247	44.6
203.03659	1.1
211.13281	12.4
239.23738	6.5
249.14908	4.7
257.24829	1.7
267.15924	100.0
313.27365	93.2
326.34216	1.6
505.38901	57.3
523.40009	29.3
523.47522	0.7
537.20892	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.363
Annotation	Lycernuic acid C
Peak:m/z	Relative Intensity
55.05511	36.2
55.80153	6.5
57.03405	7.3
59.04986	14.5
67.05515	65.7
67.12218	8.3
67.94664	6.9
68.05843	8.2
69.03418	13.3
69.07060	32.8
69.48210	7.3
70.57361	19.5
79.05496	44.0
79.44387	6.8
80.16678	7.6
81.07055	76.7
83.08606	23.1
85.06527	21.6
85.38755	6.6
87.04464	13.4
91.05458	37.6
93.07039	56.4
95.08609	96.3
97.06535	18.7
105.07026	67.2
107.08601	90.7
109.10163	65.9
111.08080	11.8
115.07584	7.1
117.07022	10.7
119.08585	74.9
121.10147	100.0
123.04555	9.6
123.07943	8.0
123.11716	20.4
125.09608	17.1
131.08580	17.0
133.10146	93.2
135.11670	48.0
137.13174	11.5
139.07538	10.3
145.10092	41.4
147.11673	52.4
149.09618	17.1
149.13255	27.5
153.09074	9.3
157.10139	20.2
159.11719	58.1
161.09619	8.1
161.13261	94.1
163.11201	11.4
163.14832	15.9
171.11676	15.4
173.13214	24.7
175.14850	47.2
177.16313	10.0
179.10590	8.4
185.13274	10.0
187.14821	24.9
189.16359	21.4
199.14896	12.1
201.16402	23.5
203.17966	9.5
205.15852	14.3
207.13640	11.1
213.16364	9.2
215.14360	8.9
215.17789	10.6
217.15897	10.8
219.17473	13.5
220.31569	7.2
221.15192	7.5
229.14365	17.8
230.14725	12.2
242.71324	7.5
323.11954	7.4
343.22650	15.1
349.16684	8.2
383.29456	14.5
384.24481	8.5
411.28595	16.2
421.30920	8.5
423.32449	22.8
427.16479	10.8
429.29916	29.0
433.31033	14.4
439.32233	16.9
441.33707	26.0
447.30847	12.0
451.32120	38.9
455.24588	8.8
457.33105	13.5
459.34500	28.2
469.33380	46.3
487.34073	18.9
505.34634	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	522.379
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	8.4
57.07071	1.5
57.16168	1.5
67.05504	14.0
69.07082	10.2
71.53036	3.1
79.05501	9.8
81.07058	19.5
83.04967	12.7
83.08586	3.3
91.05468	11.4
93.07039	18.1
95.04966	3.4
95.08603	21.3
97.06516	4.4
97.10149	4.8
98.40401	1.5
105.07034	17.2
107.08604	31.7
109.10158	24.3
110.10426	2.0
111.08120	1.9
115.15801	1.4
117.06996	6.0
119.08588	22.8
121.06513	1.8
121.10139	28.1
123.08085	3.2
123.11681	5.9
125.09690	2.6
129.93753	1.6
131.08580	9.2
133.10133	29.5
135.08066	2.2
135.11674	12.3
137.13258	7.2
143.08582	4.8
145.10124	20.0
147.11688	14.7
149.09628	3.0
149.13268	16.3
153.09100	3.3
157.10147	7.9
158.10966	1.6
159.11697	19.7
161.13251	24.4
163.14787	6.1
167.10690	3.5
171.11742	4.6
173.13260	12.6
175.14812	6.6
177.16399	3.5
179.10709	2.0
181.12338	2.1
183.11597	2.7
185.13229	5.9
187.14851	9.5
189.16441	5.3
197.13203	3.1
199.14824	6.0
201.16364	17.3
203.17923	5.4
203.58615	1.5
204.07176	1.5
205.42247	1.7
207.13824	2.4
211.14861	2.3
213.16257	5.6
215.14246	2.5
215.18007	7.4
217.15898	4.1
219.17668	1.8
221.15332	2.8
227.17908	4.3
231.17471	1.9
241.19438	3.2
261.18454	2.1
276.20425	2.2
315.23108	3.3
317.24963	3.0
317.44482	1.6
341.24915	2.7
381.31543	15.7
383.29437	4.4
405.31390	4.8
423.32562	26.0
429.30133	1.6
441.33661	100.0
451.31863	5.3
457.33459	1.9
469.33096	25.4
504.34076	2.1
522.33032	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.3556
Annotation	Unknow
Peak:m/z	Relative Intensity
51.44180	0.2
55.05510	0.5
56.05036	0.7
56.21441	0.2
58.06627	0.5
60.08165	5.4
67.05498	0.2
69.07069	0.3
70.96146	0.2
70.96482	0.2
71.07378	3.0
75.10709	0.2
79.05479	0.2
79.37134	0.2
79.64377	0.2
86.09707	29.2
87.10918	0.2
92.05968	0.2
98.98461	2.8
104.10741	2.6
125.00006	19.9
137.33466	0.2
184.07343	100.0
185.07692	0.2
258.11075	0.2
296.11880	0.2
504.34476	1.4
522.35541	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.3559
Annotation	2-Oleoyl-sn-glycero-3-phosphocholine
Peak:m/z	Relative Intensity
51.85645	0.4
55.05517	2.1
56.05036	1.3
57.07075	0.4
58.06577	1.8
60.08166	18.3
67.05513	1.0
69.07081	2.4
70.05402	0.3
70.06576	0.4
70.77232	0.8
70.77577	0.4
71.07377	7.4
74.59290	0.4
79.05495	0.5
81.07053	1.6
83.08627	1.1
86.09708	54.1
93.07049	0.6
95.08604	1.1
97.10191	0.9
98.98468	4.2
104.10746	100.0
107.08605	0.8
109.10140	0.5
113.14996	0.4
121.10149	0.4
121.85690	0.4
125.00010	30.2
135.11691	0.4
146.51810	0.4
163.01564	0.7
177.31116	0.4
181.02727	0.5
184.07343	98.1
231.92534	0.4
240.79544	0.4
258.10992	1.1
334.70215	0.4
339.28931	1.1
445.27158	0.5
504.34488	8.7
522.35571	36.1
523.35858	0.4
546.37079	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.2913
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	5.8
53.14196	3.5
55.05497	9.2
56.96545	4.4
57.03419	3.4
58.33802	3.0
67.05500	11.9
69.03411	10.0
69.07067	15.8
69.36817	22.4
69.37211	5.8
71.04996	18.6
73.02927	4.1
79.05506	15.5
81.03414	7.4
81.06591	6.5
81.07055	100.0
83.04986	3.7
83.08631	6.4
85.02912	22.5
87.00817	11.0
91.05463	11.0
92.05830	3.1
93.07050	38.9
95.08610	37.6
95.14227	3.2
97.02890	19.2
97.06524	7.4
98.21463	5.9
98.97601	4.8
99.08073	5.2
105.01864	20.4
105.07040	46.9
107.08589	51.7
109.02872	5.4
109.10155	44.6
112.77351	2.9
118.97340	3.1
119.08582	80.5
121.02849	12.8
121.10123	9.9
122.10475	4.6
123.11705	24.8
126.24677	3.0
127.03896	13.4
127.11182	31.1
131.08513	3.4
133.10143	41.4
135.10698	6.7
135.11688	93.0
137.13295	5.5
138.05490	3.3
139.03931	3.6
143.10670	13.0
145.04987	3.8
145.10089	4.5
147.04391	5.0
147.11687	21.5
149.13239	3.7
153.01811	3.3
153.12737	6.3
159.02888	3.4
161.13264	15.8
162.00578	3.1
163.03917	6.2
163.14807	8.3
164.15204	3.0
177.16422	3.7
189.65941	3.0
191.14305	6.3
199.71996	3.2
203.17944	75.5
221.18997	65.4
227.02217	4.1
231.04977	3.6
249.06044	3.8
274.07831	5.7
303.06036	7.5
458.72632	2.9
522.28632	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	522.2914
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	1.5
57.03453	0.5
63.65925	0.3
67.05492	1.0
69.03428	3.0
69.07071	1.0
69.14580	0.9
69.14988	3.1
70.92764	0.3
71.04996	23.1
73.02924	0.5
73.06569	0.4
79.05498	1.3
79.50179	0.3
79.84100	0.3
81.03432	1.0
81.07051	2.1
83.08620	0.5
85.02914	4.0
87.00834	1.7
87.04479	0.8
91.05472	1.9
93.07073	1.9
95.04990	0.9
95.08605	3.0
97.02885	3.9
97.06530	0.4
99.04453	0.5
101.02459	0.3
103.05485	0.6
105.01868	5.7
105.07038	6.5
105.16702	0.4
106.06565	7.5
107.08589	2.5
108.05733	2.6
109.02888	0.9
109.06510	0.6
109.10168	3.4
115.03896	1.1
119.08595	2.3
121.10149	54.8
122.42816	0.3
123.04408	0.4
123.08075	1.0
123.11726	2.3
127.03924	2.7
132.34090	0.4
133.04971	0.8
133.07614	0.7
133.10126	4.1
135.11705	1.8
137.09621	100.0
139.03877	0.3
145.04985	1.3
147.11699	2.6
149.13261	1.6
150.07631	0.9
151.11192	1.4
161.13255	0.8
175.14793	0.8
177.16272	0.4
193.15886	53.0
203.17963	10.7
211.17101	0.4
221.19031	7.2
231.05025	1.3
239.16487	0.8
249.06087	3.1
257.17429	1.3
320.10400	0.4
434.18713	0.5
522.28333	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.2914
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84010	4.2
53.03945	5.7
55.05501	11.2
56.96565	6.2
57.03415	10.3
67.05511	17.4
67.05829	3.1
69.03425	11.6
69.07069	22.8
71.04983	13.1
71.53066	3.7
72.08141	4.6
73.02908	6.4
78.41634	3.4
79.05492	31.6
80.05875	4.0
81.03401	7.6
81.07051	90.2
83.08622	6.3
85.02917	21.0
85.06536	4.8
87.00820	6.7
91.05478	22.4
93.07043	37.4
95.04977	6.7
95.08610	36.8
97.02899	31.8
97.06524	12.5
98.97603	7.0
99.04433	7.7
99.08106	6.5
100.68675	4.0
105.01858	14.8
105.07024	39.6
107.08594	54.7
108.04420	3.6
108.08934	5.4
109.06532	7.3
109.10165	45.3
117.06968	3.9
119.05029	3.9
119.07719	4.0
119.08583	76.0
121.02847	26.6
121.06496	5.4
121.10125	16.7
123.11679	22.6
125.09653	4.4
127.03951	20.8
127.11195	30.2
131.08595	5.8
133.10118	42.5
135.10701	6.5
135.11693	100.0
136.90558	3.7
139.03915	11.9
142.66539	3.8
143.10661	10.4
145.04977	5.5
145.10078	6.9
147.04446	5.4
147.11681	29.0
149.13237	8.7
151.11237	4.2
153.01860	4.9
153.12706	10.5
157.10085	3.8
161.13275	17.6
163.03912	14.3
163.14813	14.6
164.15225	6.6
165.09113	4.5
175.02463	3.4
175.14799	5.7
177.05406	3.3
179.00027	4.2
191.14235	6.4
193.05046	5.5
203.17957	65.1
207.06587	4.5
211.16962	4.3
221.19025	61.3
230.66055	3.5
231.05038	4.0
237.02887	4.2
249.06026	6.1
273.07416	5.1
274.07846	7.6
303.03137	4.5
303.06183	22.7
303.75122	4.0
357.77325	3.9
522.26544	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	522.2915
Annotation	Unknow
Peak:m/z	Relative Intensity
52.21101	1.8
53.03953	3.3
55.01864	4.7
55.05516	5.3
56.96573	3.5
57.03423	6.3
61.02932	4.6
67.05511	17.6
69.03436	27.1
69.07078	11.1
70.06588	3.5
71.04977	7.6
71.53139	2.7
73.02908	3.1
79.05481	8.0
81.03423	11.6
81.07056	23.9
83.04999	3.1
83.08635	4.3
84.04469	2.3
85.02910	70.7
85.03429	3.7
85.06544	10.4
87.00833	37.7
87.04458	4.6
91.05481	35.9
93.07051	20.3
94.07378	3.5
94.79482	2.3
95.04993	3.2
95.08609	58.0
97.02897	89.9
97.06564	4.5
97.10160	3.7
98.84929	2.5
98.97588	2.4
99.04450	9.3
99.08114	4.0
103.05472	2.2
104.07159	2.9
105.01871	100.0
105.07027	27.0
106.02937	3.1
106.06568	3.7
106.07350	2.7
107.08598	24.5
109.02875	21.1
109.10165	32.3
111.08107	6.1
113.95721	2.4
117.07030	4.4
117.80772	2.1
119.08592	24.3
120.08949	3.7
121.06498	22.2
121.10159	27.0
122.06821	5.6
123.04451	2.2
123.11732	9.5
124.04003	2.5
126.03755	3.5
127.03925	47.1
127.11148	3.3
131.08583	2.5
133.10135	22.7
135.11681	7.5
137.09610	5.0
137.13298	2.7
139.03960	2.9
145.04994	18.5
145.10120	4.5
146.10367	2.9
147.11687	30.8
149.13330	11.1
151.11189	2.9
159.11679	4.5
161.09665	2.2
161.13266	16.3
162.13649	3.3
163.03952	6.3
163.14854	3.6
165.12625	2.8
171.11760	3.1
175.14848	7.3
176.08325	8.5
177.16396	4.3
185.13216	2.5
185.47269	2.2
186.13727	3.2
187.14909	3.5
191.03427	2.5
193.15865	4.7
201.16534	3.1
202.54921	2.2
203.17960	97.8
207.10127	11.2
213.03902	5.3
214.11844	5.1
220.06055	13.5
221.19003	74.9
221.21088	4.7
231.05006	30.6
238.07286	2.4
239.20073	9.7
246.09532	11.1
247.09833	17.6
248.79874	2.4
249.06081	41.5
271.29672	2.0
275.79828	2.4
296.07227	2.9
318.13708	2.5
389.13498	2.3
389.44409	2.2
393.16589	3.2
400.12677	4.3
422.31326	3.8
486.32898	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	521.3839
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	1.4
55.01847	2.1
55.05517	11.2
57.03418	1.8
57.07078	25.8
65.03937	0.7
67.05506	20.0
69.03419	1.5
69.07065	9.6
71.04969	2.7
71.08249	0.7
71.08633	14.9
79.05496	22.1
81.03391	2.0
81.06601	1.3
81.07060	23.9
83.04968	2.4
83.05406	0.6
83.08629	11.8
85.06549	0.8
85.10191	7.9
86.66380	0.6
91.05486	6.7
93.07050	28.4
95.04969	5.7
95.08609	41.4
97.02882	3.7
97.06499	2.6
97.10146	3.3
99.04452	3.3
105.07032	5.2
107.04956	7.3
107.08598	22.2
109.06510	1.6
109.10155	8.4
111.08071	1.6
111.11711	0.9
114.23099	0.7
115.05480	0.7
117.07025	8.4
119.08617	7.3
121.06515	4.0
121.10139	9.7
123.11692	2.3
125.05951	1.5
125.13287	0.7
130.07768	2.1
133.10130	2.4
135.08067	1.3
135.11697	33.5
139.07593	0.8
143.08627	0.7
145.10133	19.6
153.12737	0.9
163.11189	47.5
181.12221	9.7
191.10764	0.8
209.11777	2.8
227.12793	100.0
228.33591	0.7
239.23636	3.9
521.38409	88.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.2552
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	1.7
55.01873	6.2
55.05510	10.2
56.96562	4.1
57.03431	2.4
57.07080	1.7
58.65586	1.3
61.02934	1.8
67.05177	1.9
67.05510	24.4
69.03437	7.5
69.07072	10.7
70.04063	1.5
71.04995	3.6
71.52831	1.4
72.08163	2.8
73.02923	12.9
73.50485	1.2
79.05483	5.9
81.03415	2.6
81.07056	12.9
82.04047	3.2
83.04980	3.6
83.08627	21.1
85.02897	10.4
85.06544	2.0
87.00795	1.9
87.04492	1.5
91.05469	2.9
93.07047	4.8
95.05005	1.7
95.08610	8.2
97.02895	8.3
97.06524	4.1
97.10179	3.9
98.97602	2.0
99.04471	3.7
101.01724	2.9
101.02383	46.7
105.06998	6.9
107.08604	7.7
109.02894	2.5
109.06499	1.8
109.10161	81.8
111.08077	1.8
112.03996	1.5
113.06031	2.0
119.04938	2.1
119.08582	7.3
121.06470	1.7
121.10138	5.1
123.04418	2.4
123.08076	2.7
123.11685	1.6
125.09608	9.0
127.03922	5.4
127.11189	2.5
131.08542	1.4
133.10117	6.3
135.04442	1.7
135.08095	2.3
135.11725	3.6
137.09622	2.9
139.03928	1.5
139.07602	3.2
139.14819	1.7
145.10173	2.8
147.04366	2.7
147.11720	2.8
149.04381	1.2
159.11705	2.4
160.97359	3.7
161.13301	6.9
163.03920	3.4
163.11240	1.4
172.94336	1.9
175.14873	4.3
178.22656	1.4
179.90237	1.2
188.96927	2.2
191.07114	1.4
193.15889	5.5
203.14366	3.2
203.17937	6.2
207.06499	1.6
221.15387	9.3
221.18985	3.1
239.16437	73.2
243.06555	1.9
249.06123	1.4
257.04520	3.6
257.17493	100.0
258.00156	16.8
258.04730	1.9
259.06042	1.9
271.06015	12.7
272.06375	11.5
282.05197	2.2
284.06430	2.0
325.10684	6.4
326.11075	10.2
346.03687	1.4
360.06845	12.0
361.49878	1.4
369.13284	6.0
370.13657	16.1
424.11115	5.5
425.18103	2.1
434.18875	3.8
504.24637	1.7
522.18201	20.6
522.26093	2.4
523.18158	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	521.384
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03915	2.0
55.01862	3.6
55.05511	11.8
57.03402	2.0
57.07077	24.8
59.04964	0.6
65.03899	1.5
67.05506	27.2
69.03410	1.9
69.07072	9.5
69.07426	1.3
70.07455	2.6
71.04973	1.8
71.08636	18.6
73.02876	0.8
79.05495	22.1
81.03410	3.6
81.07057	29.0
83.04975	4.9
83.08619	12.7
85.02872	0.9
85.09730	0.9
85.10184	10.1
85.11382	0.7
89.77225	0.7
91.04992	0.7
91.05472	9.4
93.07044	31.6
95.04969	5.8
95.08607	44.9
97.02872	3.6
97.03381	0.7
97.06498	3.6
97.10151	4.6
98.20791	0.8
99.04414	2.1
102.95235	0.7
103.05442	0.9
105.04523	1.0
105.07036	8.8
107.04953	8.9
107.08595	24.7
107.53070	0.7
109.06523	1.3
109.10162	12.8
111.04428	1.3
111.08059	1.4
113.09604	1.1
117.06236	1.2
117.07004	9.2
119.08593	10.8
121.06499	4.6
121.10151	10.9
123.08028	0.9
123.11685	3.4
125.05939	2.7
125.09540	0.6
129.06947	0.9
130.07741	1.7
131.08516	1.6
131.77266	0.8
133.10077	2.9
135.08052	2.3
135.11696	36.1
137.13237	0.8
139.07547	2.2
143.08537	1.6
145.10129	23.1
153.12714	1.3
156.12491	0.7
158.67708	0.7
163.11183	51.4
167.55719	0.7
168.81468	0.6
173.09569	1.6
181.12227	10.3
191.10600	1.4
209.11694	4.7
227.12782	100.0
239.23659	3.6
265.14362	1.0
291.19714	0.7
293.21124	3.2
313.27313	1.5
317.80032	0.7
521.38452	96.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.3478
Annotation	Inokosterone 20,22-acetonide
Peak:m/z	Relative Intensity
53.03938	2.2
55.01872	1.4
55.05507	2.1
56.96572	0.6
57.03430	1.3
59.30279	0.6
61.02919	1.2
67.01869	4.1
67.05505	4.2
68.99793	2.2
69.03083	0.9
69.03429	10.6
69.07057	2.1
69.12280	0.5
71.05000	1.8
71.52959	0.8
79.05501	4.9
81.03416	3.7
81.07059	7.0
83.04950	0.9
83.08595	0.8
85.02901	10.6
85.06551	0.9
87.00822	3.9
91.04914	0.8
91.05475	8.8
93.07052	8.7
95.04961	4.4
95.08604	8.5
95.39516	0.5
97.02895	6.6
97.06523	1.9
98.97578	0.6
99.04459	4.4
99.08091	3.0
105.01872	2.5
105.07032	10.5
107.04929	2.3
107.08593	10.9
109.02884	3.7
109.06496	1.7
109.10160	4.2
111.04419	0.8
111.08036	1.0
117.07000	2.1
119.04958	4.7
119.08580	16.7
120.08112	0.6
121.02881	1.0
121.06506	3.0
121.10155	5.7
123.04427	2.3
123.08096	1.0
123.11717	1.3
125.02298	0.8
125.09649	1.0
127.03944	6.4
128.06207	0.6
129.01820	1.5
129.06987	1.8
131.04915	1.0
131.08577	9.3
133.10150	8.8
135.08067	1.0
135.11678	3.5
135.17966	0.6
137.06004	1.4
137.09564	0.7
139.03886	1.3
142.07826	0.7
143.08578	5.5
144.09331	0.7
145.02841	0.7
145.04944	2.1
145.10120	11.3
147.04408	18.5
147.08060	1.2
147.11676	10.0
149.02353	2.5
149.09631	1.0
149.13264	2.3
151.03911	1.2
153.01828	85.1
153.09007	0.7
154.02116	1.0
155.08519	1.5
156.09344	1.1
157.10130	7.2
158.10921	0.8
159.02905	2.5
159.11694	10.2
161.09673	1.9
161.13231	4.3
163.03918	3.1
163.07529	1.5
163.11154	0.7
163.14832	1.5
167.03386	0.8
169.10126	1.4
170.10883	1.3
171.02896	18.8
171.08105	1.0
171.11694	4.1
173.09743	0.7
173.13280	6.7
175.14821	5.7
177.05426	0.9
177.12755	0.8
177.16402	1.2
179.03351	2.2
179.07028	0.7
181.10028	0.7
182.10962	0.7
183.11642	2.9
184.12352	0.8
185.13243	5.9
187.11246	0.9
187.14796	10.5
189.12743	2.5
189.16402	2.2
191.14272	1.9
195.02815	1.3
197.13394	3.0
197.14838	0.7
199.07526	3.0
199.14813	6.4
201.16365	9.4
203.14273	5.3
203.18005	1.0
205.15891	1.5
207.13612	1.0
211.14819	1.6
213.16383	3.1
215.14302	2.3
215.17886	1.1
217.15948	1.7
219.13792	1.4
219.17435	2.3
221.15334	2.6
223.07512	0.7
225.16377	1.1
227.07011	2.8
227.17990	0.6
229.15858	0.9
231.04846	1.1
231.17346	0.6
233.15363	1.5
235.16942	1.0
239.17891	0.9
245.15375	0.8
247.16951	0.7
249.14912	1.1
251.07248	0.9
255.06526	1.5
259.17004	0.7
261.03833	0.7
265.18063	0.7
273.07571	100.0
274.07935	1.9
286.01373	0.6
289.19492	0.7
315.08630	1.4
341.28644	0.8
391.30057	1.5
393.27930	1.0
401.07208	0.9
403.30002	3.5
405.31470	0.9
409.30795	1.7
411.28751	1.1
421.30994	5.7
431.29413	1.0
437.30411	1.8
439.32144	2.2
449.30676	3.4
455.31433	3.8
467.31665	4.2
485.32645	18.3
521.26819	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	521.2595
Annotation	Premnaionoside
Peak:m/z	Relative Intensity
57.03427	6.1
59.04990	1.7
64.73838	1.6
67.05514	4.8
68.99787	1.4
69.03430	20.3
69.07061	2.9
70.06593	8.1
71.04990	7.6
71.51939	1.5
72.08173	2.1
74.20359	1.2
77.57407	1.2
79.05502	2.5
81.07042	5.7
82.28923	1.3
83.04984	1.5
83.08624	2.9
84.04491	1.3
85.02911	12.7
85.06532	5.1
85.48848	1.3
87.04480	14.7
91.05474	4.5
93.07071	7.4
95.04970	59.2
95.08607	4.6
97.02900	17.4
97.06532	5.7
98.97631	2.1
99.04465	18.7
99.08078	7.9
105.07044	8.7
107.08622	11.4
109.10157	19.5
111.08034	1.4
115.03936	19.2
115.07558	6.4
117.03365	2.6
119.08562	4.6
121.10150	5.1
123.04432	1.7
123.08085	1.3
123.11719	9.6
125.09641	2.1
127.07589	2.0
127.11180	2.1
131.04907	1.8
131.08559	6.1
133.04979	17.1
133.05994	2.0
133.10139	57.8
133.44244	1.3
135.08038	4.8
137.06023	1.7
138.06572	1.9
139.03969	1.5
139.11186	3.1
145.02847	5.6
145.10162	4.0
146.03178	2.5
147.04407	1.7
147.11699	1.8
149.05978	2.2
149.09612	2.6
149.13261	6.1
151.11205	8.5
153.09102	31.2
163.03912	3.7
163.14861	1.7
169.12238	8.7
169.35374	1.5
173.13271	22.7
177.05476	10.7
178.05872	6.4
181.26654	1.4
184.68373	1.5
191.14313	40.5
192.14616	2.1
195.08853	7.9
196.13319	2.3
197.13652	3.4
209.15373	100.0
224.15424	1.4
227.16417	30.9
248.26015	1.7
278.69778	1.5
279.85101	1.6
348.18555	1.5
348.65564	1.5
503.28671	3.0
521.22455	9.6
521.30347	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	521.2595
Annotation	Ebracteatoside A
Peak:m/z	Relative Intensity
56.09398	1.7
65.71103	1.7
69.03432	9.5
69.07056	4.0
70.84048	4.1
70.84394	2.3
71.04993	1.7
81.07057	3.0
81.37599	1.6
83.04998	2.9
83.08604	2.4
85.02899	3.0
86.55198	1.9
93.07063	4.4
95.08601	6.0
97.02859	2.6
97.10186	2.6
99.08052	3.1
105.06976	1.8
107.08582	12.3
109.10140	6.3
111.08060	2.8
114.80818	1.8
119.08658	1.8
121.10139	7.7
125.09634	35.3
133.10199	2.8
135.08046	3.6
135.11664	2.2
137.09639	2.1
139.07550	2.0
149.09628	42.3
149.13274	5.4
151.11192	10.4
153.09074	9.5
163.14830	4.7
165.12657	2.3
165.17598	1.8
173.13242	2.4
191.14319	20.6
209.15387	100.0
213.16463	1.7
227.16429	28.3
345.93814	2.0
352.47919	1.9
521.21271	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	521.2594
Annotation	Ebracteatoside A
Peak:m/z	Relative Intensity
52.76854	1.8
53.03944	2.3
53.41112	1.8
55.05511	4.0
57.03424	4.1
60.75774	2.0
67.05501	6.0
69.03423	8.0
69.07061	6.0
69.75529	9.7
70.06580	7.8
71.04980	3.3
72.08149	1.9
74.09711	6.1
79.05462	4.6
81.07052	8.5
83.04961	5.6
83.08585	2.0
85.02903	6.6
85.06537	5.2
89.03899	6.5
91.05470	6.9
93.07057	12.1
95.04959	3.8
95.08609	15.9
97.02899	5.8
97.06498	3.1
98.97597	3.4
99.04452	2.4
99.08112	6.7
103.04807	2.7
103.05474	48.8
105.07028	8.1
107.04951	6.2
107.08606	22.7
109.06502	5.5
109.10160	5.7
111.08099	2.4
115.03919	3.8
117.03375	21.2
118.03725	9.6
119.04945	5.6
119.08576	3.4
121.06506	8.6
121.10149	17.1
123.04477	2.0
123.08064	7.2
125.09597	4.3
131.04936	100.0
131.08549	7.1
133.06499	2.7
133.10130	7.7
135.08028	8.7
135.11693	4.1
137.06009	11.4
137.09625	3.4
145.02870	44.7
145.10217	2.8
146.03192	22.4
147.04388	7.8
147.11676	5.1
149.05954	5.8
149.09634	35.3
149.13281	12.1
150.06364	2.4
151.11183	9.0
153.09106	3.8
161.05966	5.0
163.03856	2.1
163.07562	37.2
163.11140	2.3
163.14818	15.0
173.13255	12.9
175.03897	2.5
177.05482	65.1
178.05821	47.8
179.07013	7.5
191.14319	43.6
201.05559	2.5
209.15379	97.0
214.04962	4.5
227.16508	10.1
270.03955	3.8
270.84409	1.8
314.06580	2.0
326.95847	1.9
330.06049	9.1
338.11264	2.2
362.08813	10.1
431.18900	26.8
503.15500	2.6
521.21094	10.9
521.27875	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	521.1808
Annotation	Unknow
Peak:m/z	Relative Intensity
52.73497	0.5
55.01848	0.9
55.05494	1.6
56.96547	1.6
57.03425	3.3
62.36924	0.6
64.32125	0.5
65.03931	0.6
67.05494	1.8
69.03425	1.2
69.07056	1.8
70.04064	0.9
70.06590	0.6
70.11969	2.5
72.08112	0.7
73.02866	0.7
79.05470	2.6
81.03410	0.7
81.07062	6.1
83.04987	0.9
83.08623	0.7
84.18382	0.6
85.02892	2.1
85.06527	0.7
85.16697	0.6
86.79361	0.6
91.05484	2.9
93.07033	4.5
93.85190	0.5
94.07387	1.4
95.04943	1.2
95.08584	2.2
97.02862	1.8
97.06528	2.8
98.97556	0.8
99.04429	1.8
105.07005	2.7
107.04989	0.8
107.08588	1.6
109.02824	0.7
109.06526	1.5
109.10157	2.3
117.06993	1.1
119.04974	4.7
119.08569	2.0
121.06525	3.6
121.10136	1.5
122.06821	2.0
123.03574	1.1
123.04430	13.8
123.11662	1.1
131.08566	1.0
133.10114	1.7
135.04422	1.1
136.65985	0.6
137.06018	1.3
139.03889	1.0
143.08572	0.8
145.06398	0.8
145.10037	0.9
147.04416	10.9
147.11670	1.8
148.12006	0.7
153.01826	3.5
157.10161	1.4
158.10417	0.8
158.97681	0.9
161.05948	0.7
161.13197	0.6
163.03899	1.7
165.05466	1.7
171.11662	0.8
172.94244	0.9
173.06004	0.8
173.13219	0.5
175.11177	1.2
176.11517	1.3
177.05486	1.0
178.05014	0.7
185.04106	0.6
189.05443	0.6
189.12793	0.7
190.13072	1.4
190.95300	0.9
193.12199	0.7
197.05959	0.8
201.05450	1.4
203.03242	0.8
215.07079	1.8
215.10585	0.9
217.05022	3.1
217.12225	2.2
218.12619	2.2
225.05399	0.9
229.04926	1.8
236.13541	0.7
237.05490	1.6
238.06143	0.9
241.05173	0.9
242.05731	1.7
243.06560	7.0
245.04439	2.7
250.06377	1.6
251.07008	1.6
253.04912	1.9
253.14389	0.7
254.05879	0.7
255.06487	2.1
256.00467	1.2
257.00763	2.0
257.04465	24.2
258.00250	1.1
258.05008	0.9
259.06000	14.1
264.07870	0.8
265.04968	2.5
265.08362	0.9
266.05881	2.8
267.06479	3.2
267.10400	0.7
268.07394	1.4
269.04507	1.8
269.08148	0.7
270.05225	4.5
271.06018	78.2
272.06613	1.3
273.04114	1.1
273.07458	1.3
278.05811	1.5
279.06750	4.6
279.09680	4.0
280.07324	1.1
281.04791	0.8
281.08099	2.7
282.05255	7.3
283.06027	10.3
287.05423	1.0
292.07373	4.1
295.05978	1.3
295.13229	1.0
296.06802	2.2
297.11157	2.1
299.05612	0.8
301.07040	5.0
307.09589	4.3
309.16965	3.7
310.17331	9.1
311.05420	0.7
313.10736	2.7
321.11194	0.7
323.12677	1.4
325.10721	70.8
326.11063	0.8
341.17905	0.8
355.11874	1.8
357.13467	0.8
358.07156	1.1
359.07550	1.9
369.13345	100.0
370.13766	1.2
381.12344	0.7
405.09641	0.9
409.09055	1.4
423.10739	21.8
433.18155	2.6
439.14902	1.0
457.16168	0.9
459.14194	0.8
475.16797	2.8
477.15515	6.3
486.20663	0.7
498.18375	1.8
503.24304	0.9
521.18048	67.7
521.26941	19.7
522.18219	0.7
524.99622	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.221
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.8
54.72169	0.6
56.96555	2.0
57.03417	0.9
57.29078	0.7
60.89271	0.6
61.02914	0.7
67.05506	1.1
68.99763	0.7
69.03424	3.7
69.07051	1.4
70.06583	2.6
71.04993	0.9
79.05476	1.6
81.03419	1.7
81.07052	2.3
83.04946	1.0
83.08598	0.8
85.02898	4.0
85.06517	0.7
87.04465	2.5
89.03915	1.1
91.05478	2.6
93.07049	2.2
95.04982	1.8
97.02909	4.3
97.06496	1.3
98.97585	1.2
99.04445	2.5
105.07025	2.3
106.07339	1.1
107.04961	1.5
107.08572	2.8
108.08956	1.3
109.06499	1.1
115.03963	1.6
117.03317	0.8
117.04050	1.0
119.04887	0.9
119.08571	3.1
121.02882	1.5
121.10151	2.9
122.10461	0.8
123.04425	12.6
123.08025	1.4
123.11674	0.8
124.03910	1.0
125.02367	1.0
127.03917	1.7
129.10228	0.7
131.08551	2.8
133.04980	1.6
133.10127	2.2
135.04416	0.9
135.08028	2.3
135.11694	0.9
137.02356	0.9
137.05991	0.8
141.01860	1.0
143.08594	0.9
145.02850	1.5
145.04893	0.8
145.10072	2.4
147.04393	2.3
147.11708	1.6
149.13261	1.4
151.03923	0.9
153.01836	3.4
153.09172	1.0
155.06770	1.1
155.46761	0.7
157.10165	0.7
161.05997	1.1
163.03915	5.1
164.04208	0.8
165.01892	1.0
165.05519	3.7
167.07001	1.0
173.13287	2.8
174.13614	1.6
175.03983	0.8
175.07574	1.4
177.05496	3.0
189.09146	1.5
191.03391	1.6
191.14330	8.3
192.14659	8.7
195.02879	1.1
203.10666	1.5
205.05040	1.0
209.15356	2.0
215.48413	0.7
216.00941	1.4
220.19772	0.6
221.08176	1.0
227.16472	4.0
229.08588	2.5
231.01689	0.8
233.04527	1.1
234.01996	2.5
241.08745	1.0
245.04231	0.7
246.74020	0.7
255.15727	4.0
259.09628	0.7
263.05954	3.1
263.09058	1.1
271.15262	1.0
273.07663	2.4
273.16736	25.4
287.05673	1.1
289.07129	1.2
301.16202	10.6
307.08566	2.2
315.17728	1.1
317.10312	2.2
351.07657	2.2
352.01010	0.7
389.15787	1.0
417.20914	6.0
428.04572	0.6
431.18808	4.3
435.22049	21.0
455.39590	0.7
457.20392	2.3
471.09198	0.9
477.23083	78.7
478.23215	0.9
489.11295	0.8
503.16940	1.2
521.14417	10.0
521.22003	100.0
522.22327	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.1295
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	4.8
55.01878	5.3
55.30999	0.6
57.03440	4.4
61.02923	3.0
64.26799	0.5
67.05482	0.7
68.99790	4.9
69.03434	22.7
70.23323	0.9
70.23680	2.5
71.05001	2.9
71.08639	1.0
73.02641	0.5
73.02921	5.1
79.05492	1.1
81.03422	23.4
81.07034	1.0
83.01351	0.8
83.08623	0.6
85.02910	47.9
87.00835	16.7
89.00293	0.5
91.03933	0.9
91.05465	1.4
93.07053	0.7
95.08611	0.7
97.02889	14.6
97.64825	0.6
99.04455	9.3
100.23229	0.6
100.54431	0.5
103.03957	0.8
103.05460	4.3
105.01874	12.0
105.03406	0.8
105.07039	0.7
107.04950	0.9
107.08551	0.7
109.02130	1.1
109.02883	22.2
115.03887	0.7
117.01849	2.7
121.10088	0.7
123.00813	0.9
127.03921	41.9
129.01871	3.4
129.02658	0.5
131.04933	12.0
132.92949	0.6
145.04971	14.9
147.02904	2.8
153.02017	0.6
157.06453	0.6
159.02898	17.4
159.11754	0.8
163.03932	1.5
167.03325	0.9
169.01331	38.3
171.02982	0.6
173.05969	1.9
187.02370	0.8
189.03989	0.7
211.02403	1.1
213.03944	1.7
231.04967	7.2
257.04587	1.0
269.04367	0.6
271.05887	1.1
273.07574	100.0
274.04840	1.0
285.04068	1.0
297.07535	0.7
303.04980	3.7
315.08676	0.9
325.10635	1.4
327.05139	1.1
358.50418	0.7
369.06271	0.9
369.13235	2.1
405.08057	0.8
426.19720	0.7
484.31516	0.8
521.17468	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	520.34
Annotation	2-linoleoyllysophosphatidylcholine
Peak:m/z	Relative Intensity
54.95887	0.5
55.05502	1.3
56.05019	1.4
58.06607	1.8
60.01382	0.4
60.08168	16.8
61.46682	0.4
67.05509	3.0
69.07051	1.2
69.76237	1.7
69.76643	1.0
71.07378	6.4
79.05508	0.7
81.07057	2.2
86.09710	49.9
93.07018	0.8
95.08599	1.4
98.98484	3.8
100.72225	0.4
104.10749	100.0
107.08605	0.6
108.89929	0.4
109.10178	0.6
118.90186	0.4
119.08531	0.4
125.00013	29.0
166.32925	0.4
184.07347	94.3
214.97243	0.4
258.11072	0.8
323.45557	0.4
337.27466	0.9
502.32901	8.3
507.35281	0.5
520.34003	40.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.34
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	0.3
56.05040	0.6
57.03424	0.2
58.06623	0.6
59.07398	0.1
60.08163	6.6
64.46616	0.1
65.61618	0.1
66.65189	0.1
67.05501	0.7
69.07070	0.3
69.32993	0.6
70.06604	0.1
71.07374	3.1
79.05476	0.2
80.97424	0.1
81.07051	0.6
83.08615	0.1
86.09705	31.4
86.20567	0.1
91.05476	0.2
93.07035	0.2
95.08617	0.5
98.98465	3.2
104.10745	3.0
104.11294	0.0
105.07022	0.2
107.08595	0.1
109.10157	0.2
117.20042	0.1
119.08559	0.1
121.10134	0.2
123.11684	0.1
125.00004	22.1
132.71350	0.1
143.01082	0.1
184.07338	100.0
185.07700	0.2
208.52148	0.1
258.11041	0.2
337.27219	0.1
502.32968	1.2
520.34003	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	520.3333
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96562	0.6
59.04989	0.5
64.01765	0.5
69.03422	2.1
69.30042	4.5
70.06598	6.3
71.04996	0.6
73.02924	0.7
73.06548	1.9
79.05499	0.9
81.07082	0.8
84.08162	1.0
85.02914	1.2
86.09708	1.0
87.04478	10.4
89.06037	100.0
91.05474	0.8
91.07584	0.6
93.07023	0.8
97.02902	1.5
98.97588	0.9
99.04464	0.7
105.07050	1.0
107.07093	1.5
107.08611	0.7
109.10175	0.6
111.37034	0.5
116.98567	0.6
117.09148	1.3
121.02924	0.5
121.06478	0.7
123.04433	0.6
129.10237	1.8
130.08615	1.4
131.07045	2.8
131.08556	0.9
133.08612	66.1
135.04410	0.7
139.03897	1.9
140.11610	0.5
145.10135	0.7
147.04352	0.8
161.06012	0.7
161.08234	0.5
163.03934	4.0
164.04308	0.9
165.05528	1.6
175.09702	1.6
177.05557	1.0
177.11237	25.6
192.04008	0.7
196.13519	0.7
201.16388	0.7
201.56995	0.6
204.06703	0.6
206.07947	0.9
207.06619	0.7
208.09819	0.8
208.14322	0.5
219.12334	0.7
221.13852	6.4
226.05562	0.9
227.16473	1.3
239.14917	0.8
239.54994	0.5
249.11282	1.1
265.16666	1.5
267.18015	0.8
283.17538	2.4
309.19235	1.7
317.10498	0.6
327.20200	1.4
353.21524	0.7
371.22961	0.8
415.25363	1.1
431.18933	3.5
459.28162	1.4
503.30637	14.1
503.37540	0.9
520.17792	6.8
520.24762	1.3
520.33972	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	520.2757
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	2.6
55.05522	7.4
56.85951	1.1
57.03438	1.4
57.07084	1.5
59.05005	2.0
65.03961	1.3
67.05520	9.5
68.64093	1.1
69.03428	4.9
69.07069	5.7
70.69505	3.7
71.04996	23.5
73.06545	4.1
79.05510	9.2
81.03419	3.7
81.07055	22.7
83.04983	2.5
83.08621	4.9
85.02909	10.1
85.06548	1.4
86.11653	1.2
87.00840	5.0
91.05477	10.5
93.07049	22.2
95.05000	1.4
95.07996	1.8
95.08607	35.5
97.02885	6.1
97.06539	4.2
97.10158	1.7
99.04458	1.5
99.08105	4.5
105.01864	4.4
105.07037	30.0
107.08601	23.4
109.02883	2.4
109.06534	1.5
109.10162	17.0
117.06979	2.0
119.08598	10.5
121.06506	1.3
121.10158	18.4
123.08110	1.7
123.11724	6.5
125.09644	20.7
127.03924	5.9
127.07549	2.8
127.11211	3.7
131.08583	4.8
133.10141	49.2
135.11726	2.8
139.11131	1.4
143.08725	1.2
143.10684	32.9
145.02846	1.4
145.04996	2.8
145.10103	9.0
147.11710	13.6
149.13272	28.4
151.11205	3.3
157.10233	1.4
159.02933	1.8
159.11690	10.7
161.13292	5.1
163.03915	1.5
163.11465	1.3
167.14326	100.0
169.12187	2.3
173.13298	2.8
177.05540	2.6
189.09108	1.3
201.16408	12.3
203.18001	3.1
219.17450	44.4
231.05173	1.9
237.18532	8.6
240.32216	1.2
249.06071	1.5
343.91779	1.4
389.50128	1.2
444.53027	1.2
449.21771	1.3
520.24493	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.2758
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	8.4
56.96545	2.2
57.07064	2.9
60.77806	1.6
61.02906	1.7
67.05509	11.6
69.03430	7.1
69.07058	7.1
69.94423	5.6
70.06571	2.2
71.04990	28.9
79.05493	13.5
81.03418	4.9
81.07055	26.7
83.04989	4.5
83.08617	7.3
85.02903	11.7
85.06541	3.6
87.00826	4.8
91.05466	13.9
93.07040	26.7
95.04934	2.5
95.08607	37.9
97.02899	8.4
97.06529	7.6
97.10176	3.5
98.21449	2.4
99.04410	2.2
99.08092	5.0
105.01865	5.2
105.07035	37.6
107.08598	28.6
109.02879	3.5
109.06506	4.4
109.10161	21.2
111.08098	2.3
117.07015	3.3
119.08578	13.8
121.10142	18.6
123.04475	3.0
123.11700	7.5
125.09627	27.2
127.03914	5.1
127.07524	2.8
127.11203	5.5
131.08563	6.5
133.10132	63.0
135.11710	3.7
137.09639	3.0
139.03870	1.9
139.11098	2.4
140.09250	1.7
143.10666	43.4
145.10146	9.5
147.11702	15.4
149.13269	31.8
150.13486	2.3
157.10138	2.6
158.97710	3.2
159.11702	10.4
161.13246	7.0
163.03894	2.5
167.14319	100.0
169.12224	3.4
173.13290	2.3
175.14754	2.4
201.16324	11.9
203.17981	3.4
211.14786	2.0
219.17433	50.8
221.19040	2.0
233.11479	1.8
237.18480	7.6
256.00455	9.0
271.05966	2.6
325.10660	3.2
358.07239	7.0
369.13272	4.6
385.21472	1.7
431.20837	2.3
448.07355	2.2
520.22522	5.5
521.17419	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	520.1816
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02374	0.9
65.03918	0.4
69.03407	0.5
69.18596	0.3
69.71244	0.7
69.71649	1.7
70.06594	2.3
74.09693	0.4
81.07030	0.6
84.04504	0.7
85.02905	0.7
89.03917	9.3
91.05469	3.8
97.02917	1.1
99.04401	0.3
103.05450	0.6
105.03398	0.5
105.06998	0.4
107.04935	0.5
114.60455	0.4
117.03384	29.5
119.04939	4.4
121.06503	1.2
122.03642	0.4
123.04445	0.5
124.05202	0.5
127.03918	0.5
133.02863	2.3
134.03625	1.8
135.04411	1.8
136.07555	0.7
137.05972	3.2
137.07880	0.3
145.02846	64.9
147.04413	4.9
149.05977	9.3
149.07141	0.6
150.06787	0.6
151.07565	2.2
161.05978	2.2
162.06799	1.8
163.03925	1.2
165.05508	0.7
175.03902	4.6
177.05470	100.0
179.07034	7.1
180.07774	0.9
184.91769	0.3
186.05496	1.0
192.06534	0.8
201.05501	4.4
205.56812	0.4
219.06396	0.4
230.08282	0.4
259.11215	0.5
265.08365	0.5
277.08481	0.5
293.08261	0.5
300.60449	0.4
304.08359	0.6
305.08051	1.0
323.09305	0.4
325.10703	3.9
337.06912	0.4
337.10657	1.9
341.10001	0.9
355.11716	2.9
364.00180	0.4
373.12766	2.7
520.20599	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.2395
Annotation	Unknow
Peak:m/z	Relative Intensity
52.93830	0.8
53.03939	1.7
53.22726	0.8
55.01866	1.8
55.05500	5.0
55.34461	0.8
56.96571	2.0
57.03442	3.8
66.92459	0.9
67.05498	3.1
69.03429	2.2
69.07069	3.8
70.06591	1.2
71.04991	3.5
71.52940	1.4
73.02918	1.9
78.37707	0.8
79.05500	9.5
81.03424	1.7
81.07063	16.4
83.04981	3.1
85.02911	6.4
85.06542	3.0
87.15306	0.8
91.05473	8.9
93.07047	41.0
95.01334	2.8
95.04972	4.4
95.08611	3.5
97.02874	2.7
97.06538	13.9
97.10161	0.8
98.97572	1.0
99.00821	1.1
99.04454	8.7
101.06010	0.9
103.03979	1.2
103.05446	1.1
105.07033	20.1
105.07697	1.6
107.04964	2.1
107.08594	7.8
109.06507	8.4
109.10153	1.9
111.08105	0.9
113.02362	1.2
113.05985	1.0
115.05441	1.1
115.07564	1.4
117.07069	1.3
119.04933	1.5
119.08582	15.8
121.06513	23.1
121.10123	1.6
123.04449	1.6
123.08103	2.1
125.05997	0.9
125.09577	0.9
127.03938	1.5
127.07571	4.4
129.05473	3.6
129.06995	2.7
131.08577	3.0
133.06490	1.9
133.10141	8.9
135.04396	1.6
135.08040	2.4
135.11720	1.5
137.05986	2.3
139.03946	1.1
139.07549	16.5
141.01846	4.8
142.07787	3.4
143.08571	4.9
145.10149	7.4
147.08049	3.3
147.11700	21.8
151.07529	1.4
155.08655	1.0
156.09325	3.4
157.10133	12.5
158.97653	1.3
159.02888	1.2
159.11708	2.7
161.06018	1.2
161.09622	2.9
161.13251	9.6
163.03879	2.4
166.09294	1.0
171.10271	1.8
171.11679	15.5
173.09663	1.9
173.13272	1.3
175.07530	1.4
175.11183	13.9
181.10081	1.0
189.11089	1.5
189.12755	22.1
193.12257	1.4
195.10208	3.6
199.11163	8.9
207.13818	6.3
217.12250	27.2
235.13307	12.2
237.18466	1.2
253.14407	4.5
256.00369	3.3
271.06161	1.4
291.15982	5.7
307.12851	1.2
309.16977	100.0
358.06937	2.4
361.46591	0.8
369.13431	1.1
432.16858	1.2
433.18240	1.6
476.23907	2.2
485.20013	7.7
520.22626	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	520.1818
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.5
56.96574	0.3
58.90476	0.3
62.92780	0.3
65.03219	0.3
70.43759	0.9
76.02273	0.4
79.05512	0.7
87.05576	0.4
88.50214	0.3
89.03918	0.6
91.05465	0.5
93.07050	1.6
95.04955	0.5
98.97588	0.5
103.05460	7.4
107.04972	2.1
108.08113	0.5
117.03376	1.1
120.08105	100.0
121.08405	0.4
131.04961	2.0
135.04408	3.3
145.02820	2.3
149.05949	1.5
153.92256	0.3
163.03905	22.5
166.08641	45.3
167.05617	0.3
213.12328	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.1816
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02374	0.9
65.03918	0.4
69.03407	0.5
69.18596	0.3
69.71244	0.7
69.71649	1.7
70.06594	2.3
74.09693	0.4
81.07030	0.6
84.04504	0.7
85.02905	0.7
89.03917	9.3
91.05469	3.8
97.02917	1.1
99.04401	0.3
103.05450	0.6
105.03398	0.5
105.06998	0.4
107.04935	0.5
114.60455	0.4
117.03384	29.5
119.04939	4.4
121.06503	1.2
122.03642	0.4
123.04445	0.5
124.05202	0.5
127.03918	0.5
133.02863	2.3
134.03625	1.8
135.04411	1.8
136.07555	0.7
137.05972	3.2
137.07880	0.3
145.02846	64.9
147.04413	4.9
149.05977	9.3
149.07141	0.6
150.06787	0.6
151.07565	2.2
161.05978	2.2
162.06799	1.8
163.03925	1.2
165.05508	0.7
175.03902	4.6
177.05470	100.0
179.07034	7.1
180.07774	0.9
184.91769	0.3
186.05496	1.0
192.06534	0.8
201.05501	4.4
205.56812	0.4
219.06396	0.4
230.08282	0.4
259.11215	0.5
265.08365	0.5
277.08481	0.5
293.08261	0.5
300.60449	0.4
304.08359	0.6
305.08051	1.0
323.09305	0.4
325.10703	3.9
337.06912	0.4
337.10657	1.9
341.10001	0.9
355.11716	2.9
364.00180	0.4
373.12766	2.7
520.20599	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.3319
Annotation	Ganolucidic acid C
Peak:m/z	Relative Intensity
50.60181	5.9
55.05507	17.3
67.05511	31.1
69.07066	20.2
71.22654	12.9
79.05485	25.2
81.07070	45.2
83.08595	10.9
91.05486	37.6
93.07065	43.4
95.08611	48.1
105.07037	58.7
107.08615	50.4
109.10141	23.1
117.07004	20.5
119.08588	100.0
121.10143	33.3
129.07074	9.5
131.08569	59.6
133.10133	46.1
135.11674	18.2
139.04002	6.1
143.08556	28.2
145.10117	70.0
147.11670	30.5
153.09096	7.7
157.10124	24.8
159.11676	33.5
161.09671	11.6
161.13268	26.4
163.07617	7.5
163.14882	12.4
171.11685	18.7
173.13269	45.2
175.14790	32.5
177.12708	6.6
177.16368	15.8
183.11705	15.8
185.13283	65.9
187.14832	86.9
189.12787	12.5
189.16411	52.2
191.14308	14.0
197.13254	6.9
199.14824	29.3
201.12852	6.1
201.16371	74.0
203.14293	21.0
203.17915	17.5
205.15927	9.5
211.14819	10.5
213.16389	19.3
215.14212	8.9
217.15834	7.1
219.13831	25.7
219.17462	8.3
227.17969	13.2
230.03775	6.7
233.15416	19.6
239.18089	6.8
245.15451	14.7
247.16940	17.1
249.14818	50.0
373.28467	7.5
391.29868	24.5
401.28632	9.8
407.29453	10.7
418.06354	6.6
419.29688	41.3
437.30511	83.1
439.31882	16.6
447.28775	17.6
455.31332	29.0
465.29947	26.6
465.36160	8.6
471.31104	57.7
483.30951	37.3
501.32095	13.7
519.32977	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	519.3323
Annotation	Presenegenin
Peak:m/z	Relative Intensity
53.03954	0.5
55.01868	0.6
55.05510	2.7
56.96556	1.6
57.07079	0.5
65.03927	0.9
65.27560	0.5
67.05511	4.5
69.03434	1.2
69.07069	3.1
69.23335	0.8
69.23742	4.0
70.06624	0.6
71.04997	1.1
79.05495	4.9
81.03416	1.4
81.07063	6.7
83.04958	1.1
83.08627	2.1
85.02907	0.8
85.06510	0.6
91.05471	5.7
93.07058	6.9
94.58582	0.5
95.04967	2.3
95.08612	6.0
97.02907	0.9
97.06551	1.1
99.08125	0.9
105.07043	8.9
107.04974	1.3
107.08603	8.6
109.06532	1.8
109.10170	3.7
111.04449	0.9
111.08083	0.8
113.06037	0.5
117.07018	2.2
119.08591	15.7
121.06528	1.7
121.10140	3.7
123.04469	1.2
123.08093	1.8
123.11716	0.7
127.03906	0.6
128.06264	0.6
129.07004	2.3
131.08583	7.9
133.06468	1.0
133.10143	6.9
135.08047	1.7
135.11732	1.3
136.92166	0.5
137.09633	1.3
139.03931	1.8
140.04413	0.6
141.06975	0.6
142.07829	0.8
143.08575	4.9
144.09367	0.6
145.10135	11.3
147.08069	4.5
147.11705	3.7
149.09633	1.2
149.13289	1.3
153.09117	1.2
155.08546	1.6
156.09413	1.6
157.10149	6.0
158.10924	0.6
159.08101	1.5
159.11705	7.3
161.09579	3.2
161.13297	3.2
163.03975	0.8
163.07564	0.6
163.11237	1.3
163.14822	1.2
165.09106	2.3
169.10168	3.9
170.10986	0.9
171.08073	0.9
171.11682	5.5
172.94334	2.2
173.09666	1.5
173.13263	6.3
175.07616	0.6
175.11212	1.1
175.14819	3.7
177.09116	0.6
177.16383	0.6
179.10686	1.1
181.10094	0.9
182.10892	0.7
183.10252	1.0
183.11746	3.6
184.12407	0.6
185.09709	0.6
185.13269	10.4
187.07751	0.5
187.14847	6.7
189.09192	0.9
189.12834	1.6
189.16402	1.2
190.95406	1.2
191.14340	1.2
195.11700	1.2
195.95818	1.0
197.11725	2.2
197.13321	3.3
199.14830	5.3
201.12712	1.6
201.16388	7.0
203.14299	4.9
209.13290	1.3
211.14877	1.5
213.12782	2.2
213.16386	1.7
213.97012	0.8
215.14287	2.4
215.17952	0.8
217.12173	0.5
217.15932	1.5
219.13905	1.0
219.17500	0.8
221.13321	0.8
223.15013	0.8
225.16434	0.9
227.14345	0.5
227.17973	0.8
229.16113	0.7
231.13786	3.0
233.15390	1.7
237.14590	0.5
237.16737	0.5
239.17989	1.6
241.19691	0.6
245.15439	3.6
247.17047	0.9
249.14767	4.3
253.19655	0.6
271.06006	1.0
299.06326	0.6
304.36389	0.5
343.08411	0.6
370.48758	0.5
389.28732	0.6
401.28439	1.4
419.29501	3.0
429.28409	0.6
437.30533	2.9
447.29022	2.2
453.30032	1.7
455.17520	0.6
455.31586	0.6
465.30075	4.4
483.31125	8.9
501.32159	100.0
502.32547	1.2
519.16901	0.6
519.33746	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	519.332
Annotation	Unknow
Peak:m/z	Relative Intensity
50.74210	4.4
53.03944	5.9
55.01881	5.3
55.05500	16.7
56.96585	4.5
67.05515	30.4
69.07061	18.1
69.91486	4.3
70.72551	11.7
73.02901	5.3
79.05495	27.8
81.03427	12.6
81.07054	55.2
83.04973	6.9
83.08601	9.0
83.96359	4.2
85.02897	6.8
91.05468	38.9
93.07039	56.8
94.48650	5.0
95.04942	10.7
95.08616	60.0
97.02868	10.4
97.06514	9.7
97.10184	4.9
98.97588	5.3
103.03812	4.8
105.07034	78.9
107.04994	7.4
107.08596	54.9
109.06554	7.2
109.10159	27.5
111.04525	5.5
111.08092	5.8
115.05491	8.7
117.07017	15.2
119.08589	100.0
121.06448	8.1
121.09367	4.7
121.10161	37.2
123.04420	9.4
123.08089	5.2
123.11725	13.3
129.07031	11.7
131.08575	71.1
131.26195	5.3
133.06525	4.9
133.10150	50.8
135.08064	8.8
135.11717	16.8
139.03908	15.9
142.07776	7.1
143.08571	28.0
145.06512	4.8
145.10127	79.8
147.08063	6.6
147.11693	54.8
149.09608	4.5
149.13220	12.2
155.08560	10.0
157.10178	27.4
159.08049	9.1
159.11696	45.1
161.09677	7.7
161.13234	29.7
163.03911	17.1
163.11241	9.3
163.14848	8.1
169.10106	8.3
170.10880	6.0
171.11673	23.8
173.05884	6.0
173.09624	6.3
173.13251	51.6
175.07539	4.3
175.14824	34.0
177.09045	5.3
177.12740	7.4
177.16415	13.0
181.10098	6.1
183.11693	18.6
185.13225	61.2
187.14818	85.9
189.11278	5.1
189.12801	19.4
189.16389	29.8
191.03394	10.7
191.14293	13.5
193.12305	8.7
193.15817	6.6
197.13304	12.4
199.14847	38.0
201.12758	10.9
201.16391	63.7
203.14314	18.1
203.17946	17.0
205.12276	6.5
205.15845	9.4
207.13840	12.8
209.09961	4.8
211.14888	8.8
213.16344	13.9
215.14371	7.3
219.13837	32.5
219.17429	9.2
223.14839	5.1
227.17920	13.3
231.13847	9.7
233.15347	18.1
237.14827	7.5
239.18016	5.7
245.15379	13.6
247.16948	7.9
249.14870	33.5
263.16693	5.1
268.83044	4.6
271.06082	12.0
323.19766	5.0
343.93353	5.0
367.11990	5.7
373.28830	7.3
391.29980	22.1
393.31174	5.4
401.28329	6.7
407.29428	10.8
409.31079	13.6
419.29446	52.0
421.31003	19.0
425.29898	5.8
437.30545	83.8
439.32004	15.7
447.29001	9.7
455.31583	34.0
465.30133	33.5
471.31235	54.3
473.32635	10.1
483.31229	43.0
501.31976	18.5
519.34119	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	519.3319
Annotation	Ganolucidic acid C
Peak:m/z	Relative Intensity
53.03934	5.9
55.05506	13.0
60.54148	3.2
62.45867	4.1
67.05512	33.3
69.03426	5.2
69.07065	21.4
69.20139	37.3
79.05487	19.6
81.03402	4.3
81.07059	34.5
83.08632	8.1
85.06522	3.4
91.05480	30.8
93.07043	30.9
95.04987	5.6
95.08610	60.5
97.06551	5.3
97.10138	3.9
105.07031	46.0
107.08607	37.3
109.06558	8.6
109.10171	30.7
109.35973	3.7
111.04434	8.6
115.05442	5.2
117.07003	17.9
119.08580	63.6
121.06465	4.5
121.10151	22.9
123.11709	4.4
123.31568	3.6
125.05995	5.2
129.06999	7.8
131.08577	43.6
133.10138	46.4
135.11707	12.6
143.08557	21.1
145.06459	6.5
145.09032	6.4
145.10129	71.0
146.10867	4.4
147.11705	38.5
149.09552	3.8
149.13268	12.2
151.07541	4.1
155.08632	4.2
156.09343	4.0
157.10095	15.5
159.08087	6.4
159.11720	44.3
161.09619	4.5
161.13255	21.9
163.03851	6.7
163.07607	10.1
163.14830	21.9
169.10045	6.4
171.11685	24.6
173.09520	5.1
173.11914	6.2
173.13263	48.7
175.07584	4.3
175.11147	6.9
175.14835	31.8
177.09111	11.0
177.12804	4.7
177.16357	12.9
183.11667	7.9
185.13254	16.1
187.11197	9.7
187.14845	55.1
189.12784	4.6
189.16377	15.2
191.10724	8.2
191.14302	16.5
197.13220	4.5
199.11208	6.8
199.14790	19.0
201.12701	11.7
201.16402	89.8
203.10722	5.0
203.17981	100.0
205.12257	61.6
207.13789	8.0
209.13266	5.7
213.16295	5.0
215.17845	3.7
217.12193	11.1
219.11800	5.4
219.13823	65.6
219.17253	8.5
225.16306	4.3
227.17879	6.9
229.16074	4.4
229.19489	4.7
233.15524	5.3
245.15425	10.3
247.16960	40.0
249.18449	5.3
269.10522	4.5
271.06097	7.3
273.18420	5.8
299.06287	7.8
349.28729	4.3
391.29807	11.9
401.28394	7.4
407.29321	11.0
419.29440	54.1
421.30862	8.8
437.30563	37.5
447.28708	9.6
455.31866	17.9
465.30090	24.3
483.31140	25.8
501.31702	9.2
519.33630	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	519.244
Annotation	Unknow
Peak:m/z	Relative Intensity
54.78564	1.7
55.05507	2.9
57.07050	2.8
67.05511	12.4
68.10430	2.0
69.03423	5.6
69.07056	2.0
70.06593	18.9
71.04991	2.2
71.52547	3.2
73.49867	2.1
81.07048	3.6
83.04938	2.6
85.06562	5.9
89.03930	3.2
90.77654	2.0
91.05460	2.0
93.07044	6.3
95.08613	76.4
97.02885	3.3
97.06522	2.8
105.07024	5.3
107.08577	5.8
109.06568	2.0
113.06013	8.8
117.03366	4.2
119.08583	12.3
120.08122	2.4
121.10158	5.8
123.04438	5.2
123.08080	20.7
131.80417	1.9
133.06126	3.7
133.10156	3.5
135.11700	7.7
137.09561	3.1
139.03925	14.9
143.57585	1.7
145.02820	9.7
145.10164	2.0
147.04460	3.8
147.11710	5.7
149.06029	3.1
149.09621	33.8
151.14848	3.8
154.08658	2.6
161.13283	11.7
163.03909	1.9
163.11214	5.5
165.12767	6.5
177.05510	17.3
179.14357	3.0
189.12743	11.6
196.13277	11.4
197.13632	9.0
205.08716	2.0
207.13809	100.0
225.10994	2.6
225.14824	8.2
237.04863	1.5
299.06073	2.8
366.62943	1.8
382.39932	1.8
384.25333	3.2
428.24155	3.1
501.31226	17.9
519.20331	6.5
519.31744	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	519.2439
Annotation	Unknow
Peak:m/z	Relative Intensity
52.94375	3.3
55.05503	3.6
56.92788	3.2
57.01889	3.0
57.03423	6.2
59.04988	9.3
67.05505	7.6
69.03413	10.8
70.06606	18.2
71.52637	3.9
72.08154	4.7
79.05489	5.7
81.03407	5.9
81.07047	9.8
85.02886	10.7
91.05459	11.3
91.12399	3.8
93.07034	9.9
95.04983	6.6
95.08611	7.2
97.02881	5.9
97.06516	5.2
101.06036	8.4
105.03442	4.5
105.07028	14.3
107.08591	38.8
109.06508	11.5
109.10136	11.6
116.07075	9.7
119.08553	13.2
121.10181	3.8
123.04443	16.3
123.08116	18.7
124.04768	4.6
131.04895	4.3
133.06491	4.8
133.10132	4.6
135.08040	9.2
135.11694	17.1
137.09622	100.0
142.08528	3.6
143.08513	3.8
147.04382	3.5
147.11633	8.1
149.09627	5.3
151.07600	4.0
153.09120	6.3
154.08633	13.2
155.08998	7.6
158.06026	5.4
161.09685	4.0
161.13235	15.1
163.03864	5.1
167.07004	4.9
171.11653	5.7
177.05482	7.2
182.08029	3.9
189.12741	14.0
196.99425	3.8
207.13757	27.6
213.13193	5.4
225.14951	16.5
226.09705	9.9
228.12325	6.1
229.12621	6.7
243.94936	3.8
254.09196	12.4
281.25510	3.6
311.11417	40.5
357.11871	7.5
367.15585	4.9
501.16028	8.2
519.19409	25.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.2416
Annotation	Unknow
Peak:m/z	Relative Intensity
55.28084	0.3
56.86632	0.3
69.20718	2.8
80.11130	0.3
89.03934	0.5
93.07031	0.4
98.21524	0.7
117.03358	0.4
124.84134	0.3
135.04434	1.3
136.04689	0.5
145.02843	0.6
147.03311	0.4
163.03922	4.7
164.04218	2.1
165.04425	1.1
259.07901	1.3
283.15073	0.5
298.63678	0.4
331.37732	0.3
332.61670	0.4
357.18796	2.5
443.18765	0.5
459.21808	0.9
469.20306	0.4
487.21286	1.9
519.24146	100.0
520.24518	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.2415
Annotation	Unknow
Peak:m/z	Relative Intensity
51.93977	0.2
53.18967	0.2
62.62611	0.3
70.07073	0.6
70.07480	0.8
93.07059	0.3
95.08597	0.6
107.72787	0.3
109.10178	1.4
123.08142	0.3
135.11679	0.9
137.06068	0.3
147.04239	0.3
163.03970	0.3
175.14853	0.4
193.15886	0.7
211.17004	2.0
311.11249	0.5
342.02563	0.3
357.18860	3.2
459.22192	0.8
487.21515	1.0
501.23245	0.4
519.24152	100.0
520.24670	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.3245
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.3
55.05508	0.9
56.05026	1.0
57.03432	0.7
58.06571	1.4
59.07412	0.3
60.08164	17.7
65.03943	0.3
67.05508	2.9
69.07062	0.8
69.87198	0.5
69.87591	0.7
71.07374	8.2
79.05492	2.0
81.07053	1.9
81.78219	0.2
83.08629	0.3
86.09705	50.9
91.05481	1.0
93.07043	2.1
95.04961	0.2
95.08621	1.7
98.21432	0.4
98.98471	3.8
104.10742	100.0
105.07044	0.7
105.11085	0.2
107.08590	0.8
109.10175	0.4
112.87553	0.2
119.08601	0.5
121.10181	0.8
125.00002	28.6
133.10129	0.4
159.57442	0.3
163.01553	0.5
175.09470	0.3
184.07336	98.3
258.11102	1.2
335.25824	0.8
381.90985	0.3
500.31409	8.3
518.32422	33.3
519.33142	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.1864
Annotation	Balanophonin 4-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
55.01880	9.0
61.02908	2.6
65.03920	1.5
67.35905	1.4
69.03438	9.7
69.07074	2.4
69.78809	2.8
69.79210	4.6
79.05502	2.5
81.03423	5.8
81.07053	3.9
85.02913	16.7
91.05473	4.7
93.03423	2.9
94.04192	4.1
95.04983	2.0
97.02907	8.9
97.06518	1.5
98.20822	2.3
99.04469	1.3
103.05488	6.0
105.07040	4.9
107.04976	1.6
107.08530	2.0
109.02883	1.6
109.06530	2.8
109.55121	1.5
111.04451	1.7
115.05442	5.1
117.07036	2.4
119.04958	2.2
122.03657	8.4
123.04324	1.6
125.05997	4.2
127.03963	2.3
127.38315	1.6
129.07002	3.3
131.04926	9.3
133.06444	1.9
133.10066	1.5
137.05984	100.0
139.03877	2.3
143.04932	2.6
145.02843	2.1
145.04994	1.6
145.06464	2.6
146.03539	2.5
147.04427	4.3
151.03967	2.7
153.05482	4.2
155.04959	1.7
155.77939	1.3
157.06529	4.5
159.08022	1.9
159.11832	1.7
160.05238	1.5
161.05963	14.7
162.06683	1.8
163.03931	4.2
163.07530	10.9
165.05505	11.4
165.06816	2.4
171.04393	2.2
172.05229	1.5
173.05984	4.3
175.07587	7.8
177.05557	6.8
177.06993	1.3
179.08551	1.6
185.06004	2.1
187.07570	4.3
189.07031	3.8
189.09172	1.5
190.07719	3.0
191.03432	1.7
191.07033	12.0
191.08607	6.2
199.07532	3.9
203.06966	6.8
205.06601	2.0
205.08650	1.5
207.08049	4.2
208.08936	1.7
215.07016	7.0
217.06567	3.0
217.08560	16.9
218.07260	9.2
219.08081	13.8
220.08778	2.3
223.07561	1.8
229.06526	3.6
231.08131	3.3
233.06078	1.6
234.06848	4.2
235.07602	6.9
236.08374	3.9
237.09140	2.1
246.06735	7.6
247.07567	14.5
248.08267	4.1
249.09166	9.9
251.07043	2.8
251.10808	1.9
257.06097	3.9
258.06726	1.5
259.07559	3.9
261.09128	15.6
262.06299	2.7
263.07025	5.9
263.10730	2.0
264.07877	8.5
264.10275	1.4
265.08673	4.1
267.10098	3.9
271.06113	1.7
274.06238	8.7
275.07047	9.0
276.07877	2.5
277.08655	11.7
278.09442	1.9
279.07037	1.5
279.10107	7.4
289.08615	21.1
290.09283	3.4
291.06998	2.0
291.10138	8.0
292.07358	3.0
293.11609	2.5
294.08847	4.9
295.09631	3.1
297.11017	1.4
306.08984	6.0
307.09622	44.7
308.10254	2.0
309.11160	12.0
321.11212	46.5
323.12753	14.1
327.12253	44.6
339.12262	40.0
341.13855	5.8
357.13370	26.1
369.63702	1.5
487.93549	1.3
519.24445	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.3244
Annotation	Unknow
Peak:m/z	Relative Intensity
53.35785	0.1
55.05499	0.2
56.05033	0.5
57.03420	0.1
58.06638	0.5
60.08164	6.1
67.05510	0.5
69.07082	0.2
69.75842	0.3
69.76250	0.3
70.06592	0.1
71.07374	3.0
79.05515	0.2
81.07049	0.3
86.09706	28.9
91.05473	0.1
93.07040	0.3
95.04959	0.1
95.08630	0.2
98.98467	2.7
98.99125	0.1
99.39265	0.1
104.10738	2.8
105.07097	0.1
107.08582	0.2
113.26665	0.1
121.10188	0.1
125.00005	20.2
147.83879	0.1
184.07339	100.0
185.07645	0.2
258.10956	0.2
335.25708	0.1
354.13037	0.1
500.31403	1.0
518.32422	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	518.2386
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	0.2
55.01856	0.2
55.05499	0.7
57.03427	0.3
62.01649	0.2
67.05498	0.3
68.05029	1.2
69.03410	0.3
70.05844	0.6
70.06593	8.9
70.16376	0.2
71.04982	0.4
79.05484	0.5
81.03409	0.4
81.07043	0.7
86.09693	0.3
88.12505	0.2
95.04967	0.4
96.08109	0.8
97.06512	0.5
98.06071	0.3
100.07561	0.2
107.04982	0.3
108.08109	1.5
113.09617	0.3
114.05526	1.4
116.07101	3.6
120.08102	0.3
121.06487	0.6
122.09676	2.7
123.03578	0.3
123.04436	3.8
128.07074	0.5
130.00224	0.2
139.03891	0.5
142.08591	0.8
147.04387	0.5
150.12773	3.7
151.03897	0.5
154.08630	7.4
161.06003	0.4
163.03937	0.9
165.05484	0.4
165.09067	0.3
166.12245	0.3
167.09346	0.5
168.13808	0.7
175.03793	0.2
177.05478	1.0
182.08226	0.6
187.21449	0.2
193.08624	0.5
194.08110	0.5
196.13327	100.0
197.13663	0.4
207.06503	0.3
210.11253	0.5
219.10207	0.6
228.12302	0.8
239.24446	0.3
329.10147	0.4
334.16583	0.3
366.15353	1.4
366.19315	1.8
486.21313	0.4
500.15463	0.3
518.24744	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	518.2232
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46922	4.7
55.01872	7.4
55.05507	14.1
56.96564	8.0
57.03434	12.2
61.74461	5.8
67.05493	16.1
69.03435	18.0
69.07053	20.7
70.06583	17.5
71.05005	11.9
71.52857	5.8
71.53234	9.1
72.08154	6.5
73.02926	15.1
74.13641	5.2
79.05495	23.5
81.03420	16.9
81.07055	24.6
83.04982	14.8
85.02925	34.7
87.00841	9.3
90.41433	7.3
91.05484	25.2
91.97764	5.7
93.07036	40.1
95.01327	7.4
95.04953	15.9
95.08606	16.0
97.02895	24.7
97.06522	17.8
99.04424	7.4
105.07052	36.7
107.08610	16.2
108.66899	5.6
109.02860	11.0
109.06526	10.6
109.10149	16.1
113.08772	5.6
114.94013	5.4
117.07019	17.7
119.05006	7.4
119.08540	14.2
121.06531	48.2
121.10143	14.5
123.04445	7.9
123.08046	17.7
124.08409	11.3
127.03901	16.7
129.07016	8.1
130.07817	5.5
131.08551	36.0
133.06522	7.0
133.10135	19.4
134.10536	8.2
135.04433	13.0
135.08083	8.3
135.11731	8.8
139.03876	13.3
139.07510	10.6
141.01828	18.2
143.08571	16.3
144.09380	7.7
145.04944	8.5
145.06506	27.6
145.10118	85.7
146.10469	5.4
147.11694	13.1
148.12067	6.5
149.09746	8.0
157.10089	10.3
158.07254	16.3
159.08054	19.8
159.11684	52.3
163.03905	32.4
163.11342	8.9
169.10133	17.0
171.11554	6.3
172.08864	12.4
173.09628	48.1
177.05513	9.4
181.08646	10.9
181.43127	5.5
187.11188	100.0
191.10612	6.5
197.09650	12.0
199.14821	10.0
205.12242	11.9
215.10667	84.0
225.14862	11.6
233.11674	13.1
251.16347	9.0
252.16579	11.7
269.17499	51.1
270.17780	86.5
279.15759	7.0
289.14301	62.1
307.15378	48.0
309.11282	6.4
327.15756	7.0
338.24335	6.0
353.12518	11.0
448.78378	5.9
483.18726	76.6
518.23151	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	518.2028
Annotation	Unknow
Peak:m/z	Relative Intensity
51.65541	1.3
53.03938	2.0
55.01871	3.3
55.05498	2.6
65.03937	2.8
67.05497	5.5
68.05022	9.8
68.99789	1.5
69.03411	3.8
69.07054	3.1
69.48210	9.5
70.06593	75.3
71.04976	2.4
72.08170	2.4
72.18433	1.4
79.05500	7.3
80.04982	1.5
81.03418	6.5
81.05774	1.5
81.07053	3.5
83.04993	1.9
84.04476	1.4
84.08137	2.2
85.02898	2.0
86.06059	5.6
86.09695	2.5
89.03895	1.6
91.05486	6.4
93.07067	2.4
93.87814	1.4
95.04991	11.6
96.04475	2.2
96.08135	8.5
97.02893	1.7
97.06525	18.4
98.06030	3.2
100.07633	3.3
103.05450	3.3
105.03417	3.2
105.07040	1.8
107.04987	6.7
107.08574	1.4
108.08128	8.0
109.06513	3.3
109.08912	2.2
111.04431	2.2
114.05553	7.9
115.05464	3.3
116.07095	52.1
117.03355	2.3
119.04940	4.0
119.08588	2.5
120.08122	5.6
121.02838	3.5
121.06496	3.9
122.09702	2.0
123.04432	100.0
123.08001	1.4
125.13920	1.3
126.09202	1.7
128.07077	2.8
131.04904	3.6
132.06544	7.9
133.06479	1.7
135.04407	7.1
135.08032	1.7
136.07571	4.2
137.02350	1.8
137.05992	3.0
137.09610	2.6
139.03960	8.4
140.07028	3.8
142.08647	12.5
145.02812	1.8
147.04408	13.8
149.05995	2.5
149.83217	1.4
150.12781	5.0
151.03903	6.1
152.04724	5.0
152.07123	2.0
153.05516	2.2
154.08630	86.2
155.03413	2.0
159.07938	1.4
161.05972	3.6
163.03912	19.3
163.07561	2.5
164.04251	9.7
164.06998	1.9
164.10770	2.2
165.05499	6.1
166.08623	2.3
166.12294	13.7
167.03342	2.7
173.06026	2.0
175.03891	7.2
177.05507	6.6
177.09108	1.7
178.23672	1.3
179.07042	3.7
180.10194	2.3
182.08127	29.5
182.11732	2.9
187.03889	2.7
191.07010	13.3
193.08528	2.4
194.08121	17.5
195.12660	3.0
196.13347	8.1
205.04953	2.0
205.08524	1.8
207.06538	6.3
210.11203	15.8
212.12822	22.0
217.08545	2.4
228.12306	62.2
232.07819	1.5
233.08116	6.0
235.09633	8.9
251.09186	4.0
264.12354	2.6
264.80109	1.4
276.15747	1.3
290.10278	2.2
320.11301	1.7
327.08557	3.7
366.15497	28.5
366.19315	1.3
385.12561	1.6
472.19949	3.5
480.10941	1.4
518.20221	82.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.2026
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	1.0
57.03442	0.5
59.04994	2.1
67.05489	1.4
68.99780	1.0
69.03427	0.9
69.07058	0.6
70.06599	1.2
70.14222	2.0
79.05497	1.6
81.03428	1.2
81.07049	4.1
84.04522	0.6
89.03931	1.4
89.06039	2.3
91.05487	1.6
93.07038	1.4
95.04987	1.1
95.08615	1.7
97.02895	7.1
105.03374	0.6
105.07034	1.0
107.04973	0.8
107.08587	0.6
109.02878	2.0
109.10148	1.5
114.55709	0.5
118.03651	0.7
118.55837	0.5
119.04912	2.6
119.08580	0.7
121.02847	1.2
121.06519	0.9
123.04436	13.7
123.08087	0.8
125.02356	0.6
127.03885	0.6
131.04912	0.5
131.08540	0.9
133.08615	1.4
133.10172	0.6
135.04425	2.7
136.04797	0.8
139.03889	1.5
145.02832	1.7
145.10071	0.6
147.04408	9.6
148.04861	0.7
149.05972	2.1
149.09642	0.7
151.03906	82.4
153.05452	0.9
155.08554	0.6
161.05972	1.1
163.03906	12.8
164.04276	4.6
164.07076	0.5
165.05476	7.6
165.06737	0.8
173.09627	0.6
177.05470	6.6
177.09100	0.7
181.04941	0.9
191.10735	0.7
195.10089	0.6
201.09108	1.8
205.04942	0.8
206.05611	0.9
207.06346	1.5
217.04987	1.0
219.10165	100.0
220.10526	1.2
235.06020	3.9
235.17064	0.5
236.06369	3.6
238.72002	0.5
303.08618	4.3
327.20175	1.3
353.13809	0.9
355.10583	0.5
356.10391	0.6
371.10458	1.0
371.14899	12.7
404.91568	0.5
518.13654	1.3
518.21539	0.6
518.30713	0.6
540.19092	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.2021
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02381	0.3
53.03950	0.6
55.01874	0.9
57.03431	0.4
59.56096	0.4
62.16966	0.3
65.03969	0.4
67.05509	0.8
68.99798	1.0
70.06593	0.8
71.03720	0.7
72.08138	0.4
77.03960	0.3
79.05486	1.4
79.16212	0.3
81.03420	1.0
81.07062	3.5
84.04459	0.4
84.08163	0.4
85.02889	0.5
91.05482	1.6
93.07039	0.7
94.69386	0.3
95.04982	1.4
95.08618	0.9
96.26161	0.3
97.02858	0.6
97.40884	0.3
98.74243	0.4
103.05451	0.5
105.03387	0.8
105.07014	0.6
105.81972	0.4
107.04984	0.5
107.08531	0.4
109.02861	1.9
109.10146	1.5
110.59476	0.4
119.04932	3.1
119.08535	0.3
121.06530	0.6
123.04428	13.9
123.08071	1.2
124.04783	0.6
125.02355	1.0
133.10120	0.4
135.04436	1.8
137.05963	0.7
139.03868	2.2
145.02914	0.5
145.10178	0.4
147.04413	9.3
147.05545	0.7
148.06105	0.4
149.05988	1.9
149.09622	0.6
151.03902	86.4
152.04276	2.5
153.05475	0.6
161.05981	1.4
163.03900	4.0
164.04208	1.0
165.05484	6.8
177.05489	5.0
177.09148	1.0
181.04971	0.6
189.05441	0.5
191.10634	0.6
195.10152	0.8
201.09106	1.1
207.06630	0.5
207.10191	0.6
219.10159	100.0
220.10538	3.4
249.11145	0.5
303.08618	3.9
353.13788	0.9
371.14886	10.5
372.15167	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.1663
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03478	0.7
55.04263	0.4
57.03433	0.6
68.05000	0.4
69.03424	0.5
70.06595	100.0
70.64360	1.1
72.08158	11.7
81.03397	0.4
84.08173	0.5
85.02917	1.2
87.04456	0.5
91.05499	0.5
95.32618	0.4
96.08158	0.4
97.02897	1.1
97.06538	0.5
105.60120	0.4
109.02839	0.6
109.06416	0.3
116.07071	1.4
121.06530	0.3
123.04430	2.2
136.95726	0.3
139.03963	0.9
142.08577	0.5
153.01816	0.4
153.66089	0.3
154.08636	1.1
163.03934	1.1
164.04201	0.4
166.12231	0.5
182.08130	0.5
187.03986	0.4
196.13348	0.7
228.12292	1.0
235.07559	0.7
238.05925	0.4
249.05388	0.6
254.26164	0.4
255.06587	0.4
259.07687	0.8
263.07001	1.4
266.05823	0.6
267.06482	1.1
269.04559	1.0
270.05136	0.8
277.08588	0.5
281.04395	0.6
282.05255	0.6
283.06116	1.9
291.06567	1.2
294.05219	0.8
295.06015	3.5
297.03940	2.1
297.07339	0.8
298.04672	3.4
299.05481	10.7
305.04626	0.4
305.07950	0.8
307.06052	0.5
309.04318	0.5
309.07526	3.0
309.49976	0.4
311.05505	86.0
312.05963	0.7
313.07056	0.9
315.06458	0.9
319.05978	2.2
321.07443	1.0
323.05402	3.6
323.09064	0.8
325.03314	0.9
325.07074	2.6
329.06607	2.1
333.07678	2.9
335.05420	1.1
336.06454	0.6
337.07071	13.4
339.08652	0.5
341.06580	10.1
343.20993	1.1
347.05472	0.4
349.07016	2.3
351.08630	8.7
353.06711	2.7
361.07068	1.4
363.04871	0.5
365.06577	13.5
366.15384	0.9
371.19788	0.4
377.06613	6.2
379.08136	1.1
383.07889	1.8
389.06586	8.2
395.02820	0.6
395.07614	8.0
398.12363	4.9
407.07578	6.5
413.08679	1.5
422.12421	4.3
425.08676	5.8
431.09747	16.1
443.09698	11.6
449.10519	1.5
461.10660	1.0
482.14352	2.9
500.15546	34.8
518.16376	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	517.3891
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05519	7.0
57.07062	3.4
67.05509	6.9
68.04037	0.9
69.03439	5.3
69.07071	6.0
70.03083	2.2
70.03473	1.6
70.68258	0.8
71.04994	24.5
73.06541	3.9
79.05498	5.1
79.30441	0.8
81.07056	14.2
83.04988	2.3
83.08610	5.7
85.06551	11.6
91.05479	5.7
93.07039	11.2
95.08617	16.7
96.69568	0.9
97.06533	3.2
97.10165	10.3
99.08109	1.4
105.07042	9.9
106.10178	0.9
107.08600	35.7
109.06494	1.3
109.09479	1.5
109.10167	16.6
113.03957	0.9
117.07031	1.4
119.07809	1.2
119.08596	15.0
121.10157	14.9
122.82772	1.0
123.08078	1.7
123.11722	7.0
125.09637	42.6
127.11197	7.9
129.06946	1.2
131.08575	5.4
133.10144	13.9
135.11705	12.6
137.09631	1.6
137.13271	2.0
143.10678	100.0
145.10133	10.3
147.11691	11.3
149.09633	1.6
149.13306	4.0
149.20140	1.1
157.10100	2.5
159.11703	11.7
160.35980	0.9
161.13307	7.1
163.11229	1.1
163.14850	1.4
169.10187	1.1
171.11751	2.2
173.13252	4.4
175.14804	4.5
177.16386	1.9
185.13284	1.3
187.14844	6.2
189.16377	5.6
191.14453	1.4
191.17981	2.0
199.14789	2.8
201.16383	13.1
203.17915	6.4
205.15918	3.9
206.01764	0.9
213.16357	3.5
215.17955	3.7
217.16029	1.2
217.19592	1.0
219.17477	4.8
221.19099	1.4
227.17932	1.2
229.19521	1.7
231.17480	1.9
233.19034	1.9
341.28799	1.4
353.03235	1.0
353.28384	3.3
403.33524	1.5
421.34686	32.0
422.34421	1.4
439.35770	15.4
457.36804	7.6
475.37778	7.9
517.39014	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	517.3527
Annotation	Unknow
Peak:m/z	Relative Intensity
52.10635	2.5
53.03947	5.3
55.01875	6.7
55.05513	18.8
67.05502	31.7
69.03420	4.1
69.07072	31.0
71.04986	3.5
71.52486	3.9
79.05491	40.1
81.03429	5.6
81.07063	43.7
83.04995	7.4
83.08616	10.8
91.05472	32.5
93.07047	44.9
95.04960	14.0
95.08613	21.3
97.06528	7.7
97.10168	5.2
105.07037	31.2
107.04966	20.8
107.08593	23.1
108.06412	2.7
109.06543	5.4
109.10168	10.8
117.07003	11.9
119.08581	27.0
121.10158	19.3
125.09651	3.8
129.07031	5.9
131.08566	9.3
133.10121	20.3
135.08040	11.3
139.11156	8.4
143.08548	6.5
145.10135	11.4
147.11699	18.3
147.79099	3.3
149.09633	10.3
152.94420	2.8
157.10191	3.4
159.11671	8.5
161.13260	6.4
163.11192	9.2
165.02138	2.6
171.11772	14.2
173.13344	3.2
189.12740	5.2
203.12794	9.6
207.13846	15.0
223.13362	3.7
237.14729	6.5
239.17966	3.8
257.18964	5.9
275.20059	100.0
293.21100	42.8
358.82657	2.8
362.84717	3.0
432.43848	2.6
488.59586	3.2
499.35513	3.7
517.37823	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	517.389
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	6.4
55.05500	25.1
57.03428	7.9
57.07051	9.1
64.39624	6.3
67.05510	53.5
69.03416	8.6
69.07059	22.6
71.04988	28.0
71.53716	10.5
79.05489	35.3
81.03409	8.7
81.07057	55.3
83.04970	6.8
83.08605	25.2
85.06541	14.8
86.09692	13.0
91.05475	21.6
93.07056	42.5
95.04987	8.0
95.08601	47.7
97.06509	11.5
97.10153	24.1
105.07028	35.3
107.08594	80.7
109.10159	72.7
117.07033	8.0
119.08599	51.1
121.10138	50.6
123.08099	11.5
123.11684	19.8
125.09634	60.2
127.11185	30.9
131.08524	16.4
133.10143	48.4
135.11699	24.8
139.11206	7.5
143.08536	11.8
143.10663	100.0
145.10127	40.8
147.11678	42.0
149.13237	10.4
151.11176	6.4
159.11748	34.6
161.13300	17.0
163.03926	11.5
163.11174	22.1
163.14799	12.1
171.11674	12.5
173.13242	21.1
175.14784	8.8
177.12695	6.5
185.13228	6.6
187.14792	15.8
189.16432	8.8
199.14798	11.9
201.16377	21.6
203.17897	11.9
205.15932	55.8
215.17957	15.0
233.19167	8.1
235.50555	6.6
421.29800	9.8
421.34735	69.9
439.35779	58.6
478.33133	8.3
499.37509	10.0
517.39130	61.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.3163
Annotation	Adynerin
Peak:m/z	Relative Intensity
55.05500	24.2
61.02918	15.4
67.05512	61.2
69.03432	11.3
69.07062	17.7
71.53147	11.7
77.01398	7.4
79.05478	37.9
81.03407	17.9
81.07057	43.7
83.08625	9.3
85.02892	9.9
86.09688	13.8
86.44822	9.0
91.05469	46.0
93.07035	34.0
95.04948	21.5
95.08622	38.8
97.02895	12.7
97.06548	27.1
97.10142	8.7
104.10718	20.0
105.07033	72.5
107.08575	34.1
109.06460	8.2
109.10138	41.3
117.07030	18.9
119.08572	57.2
121.10154	16.3
124.99994	12.0
125.09674	8.5
129.07004	9.2
131.08575	43.4
133.10144	21.4
135.04410	18.0
135.11702	16.3
139.03899	51.1
139.08820	7.7
141.07031	10.1
143.08563	23.1
145.04924	8.4
145.10103	50.2
147.11635	21.0
149.06018	11.3
155.08542	17.5
157.10098	48.8
159.08041	11.1
159.11694	54.9
161.09590	10.0
161.13269	17.6
163.03905	54.5
163.07558	11.2
169.10106	15.5
171.11671	24.0
173.09509	9.5
173.13272	50.2
175.14848	18.0
183.11707	36.0
184.07346	29.9
185.13277	30.5
187.14738	22.3
195.11790	9.2
197.13226	21.3
199.14859	16.1
201.12732	100.0
201.16330	10.6
203.14287	8.7
205.12212	10.4
215.14140	9.9
217.12267	7.3
217.16000	12.2
219.13754	12.0
221.15437	8.9
229.07391	21.0
229.14200	13.2
233.15344	12.1
247.08563	11.4
247.13194	60.7
269.10522	21.4
325.14639	10.9
379.12408	9.3
396.15915	16.2
401.12640	9.6
402.33307	7.8
417.27756	28.2
435.28949	50.9
443.27396	9.6
453.29535	9.7
463.28329	19.1
469.29565	38.5
481.29227	21.3
499.30310	31.7
517.31378	27.0
539.16058	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	517.2185
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	0.5
54.78289	0.5
55.01881	0.8
55.05510	0.9
56.96562	0.8
61.02939	0.7
67.05517	1.5
68.71918	0.5
69.03419	0.6
69.07068	0.5
71.04966	0.5
71.52844	0.7
72.08153	1.7
73.97674	0.5
76.10647	0.5
76.80356	0.5
79.05489	1.7
81.03424	1.3
81.07059	2.6
83.04964	1.2
84.04500	2.1
85.02904	0.9
86.09704	1.4
89.03915	2.1
91.05486	2.0
93.07056	1.2
95.04957	1.3
95.08621	1.9
97.02853	0.6
104.10735	2.8
105.03426	0.7
105.07035	0.7
105.11098	0.7
107.04952	0.8
107.08603	0.6
109.02901	1.6
109.10149	2.2
117.03381	2.0
119.04973	2.6
119.08643	0.8
119.78120	0.6
121.06525	1.5
123.04436	12.8
123.08064	1.8
124.99983	1.0
125.02399	0.8
127.03925	1.2
130.04999	3.9
131.08600	0.8
133.10130	0.9
135.04391	5.2
137.05986	0.8
139.03920	2.1
145.02870	2.9
147.04425	7.2
147.07661	4.6
149.05954	1.1
151.03908	72.9
153.05528	0.8
155.83502	0.6
161.06018	0.8
163.03903	22.2
165.05479	6.7
172.52429	0.5
173.05948	0.6
173.09599	0.7
177.05501	5.9
177.09068	1.1
181.04790	0.6
184.07329	3.4
185.07709	0.7
192.13957	0.6
193.05104	0.7
195.10205	0.6
201.09106	1.1
207.06622	0.9
219.10168	100.0
220.10510	0.6
230.69070	0.5
235.06039	0.8
243.11214	0.6
269.21017	0.6
283.07370	0.5
286.12589	0.8
303.08676	2.1
304.13757	1.1
353.13614	0.7
355.12302	0.7
355.25885	1.2
371.14917	11.2
401.92206	0.6
413.21280	1.3
467.16620	0.7
517.17188	1.2
517.24219	0.8
517.30829	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.1553
Annotation	Unknow
Peak:m/z	Relative Intensity
53.29024	0.7
54.82082	0.8
55.01867	1.1
57.03419	1.0
61.02920	0.9
64.25758	0.8
67.01872	0.8
69.03423	1.5
70.27413	1.3
70.27782	1.4
71.04986	0.6
81.03417	1.2
85.02902	5.5
89.03874	0.9
97.02878	2.2
109.02861	1.4
117.03350	0.7
135.04364	1.1
145.02791	1.0
147.04414	1.2
151.03888	1.6
161.05957	1.4
163.03914	6.3
164.04245	1.5
167.03174	0.6
177.05440	0.9
189.05467	14.3
192.04172	1.4
193.04947	7.2
203.03453	0.7
203.07071	7.9
205.04964	96.0
206.05748	7.3
215.07117	0.8
217.04964	15.5
217.08482	1.7
219.06580	1.8
227.07025	2.1
229.04956	2.8
230.05724	1.3
231.02884	2.1
231.06511	22.5
232.65921	0.8
233.04411	1.1
235.06010	100.0
243.06575	1.3
245.08092	10.9
255.06520	4.5
257.04407	0.8
259.06027	43.0
271.06003	11.8
273.07489	2.4
283.06030	12.4
289.07083	29.0
301.07077	19.6
319.08139	17.8
337.09158	30.5
355.10223	23.0
355.13574	0.5
356.80182	0.8
397.11182	0.9
450.28058	0.7
499.14148	1.0
519.08398	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.2185
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	0.5
54.78289	0.5
55.01881	0.8
55.05510	0.9
56.96562	0.8
61.02939	0.7
67.05517	1.5
68.71918	0.5
69.03419	0.6
69.07068	0.5
71.04966	0.5
71.52844	0.7
72.08153	1.7
73.97674	0.5
76.10647	0.5
76.80356	0.5
79.05489	1.7
81.03424	1.3
81.07059	2.6
83.04964	1.2
84.04500	2.1
85.02904	0.9
86.09704	1.4
89.03915	2.1
91.05486	2.0
93.07056	1.2
95.04957	1.3
95.08621	1.9
97.02853	0.6
104.10735	2.8
105.03426	0.7
105.07035	0.7
105.11098	0.7
107.04952	0.8
107.08603	0.6
109.02901	1.6
109.10149	2.2
117.03381	2.0
119.04973	2.6
119.08643	0.8
119.78120	0.6
121.06525	1.5
123.04436	12.8
123.08064	1.8
124.99983	1.0
125.02399	0.8
127.03925	1.2
130.04999	3.9
131.08600	0.8
133.10130	0.9
135.04391	5.2
137.05986	0.8
139.03920	2.1
145.02870	2.9
147.04425	7.2
147.07661	4.6
149.05954	1.1
151.03908	72.9
153.05528	0.8
155.83502	0.6
161.06018	0.8
163.03903	22.2
165.05479	6.7
172.52429	0.5
173.05948	0.6
173.09599	0.7
177.05501	5.9
177.09068	1.1
181.04790	0.6
184.07329	3.4
185.07709	0.7
192.13957	0.6
193.05104	0.7
195.10205	0.6
201.09106	1.1
207.06622	0.9
219.10168	100.0
220.10510	0.6
230.69070	0.5
235.06039	0.8
243.11214	0.6
269.21017	0.6
283.07370	0.5
286.12589	0.8
303.08676	2.1
304.13757	1.1
353.13614	0.7
355.12302	0.7
355.25885	1.2
371.14917	11.2
401.92206	0.6
413.21280	1.3
467.16620	0.7
517.17188	1.2
517.24219	0.8
517.30829	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.1346
Annotation	1,3-Dicaffeoylquinic acid
Peak:m/z	Relative Intensity
53.03951	0.3
55.01878	0.4
55.05510	0.3
56.96560	0.2
57.07059	0.3
57.07524	0.2
61.02921	0.3
63.02376	0.6
65.03967	0.3
67.01865	0.4
67.05509	0.5
69.03420	0.7
69.62404	0.2
70.06582	0.5
70.50195	0.3
70.76864	0.4
70.77192	0.4
72.08157	2.5
73.02927	0.3
77.18565	0.2
79.05482	1.6
80.05006	0.7
81.03394	0.6
81.07053	0.8
84.08148	0.4
85.02914	1.4
85.36431	0.3
89.03916	9.8
91.05481	0.6
93.07036	0.7
95.04977	0.7
95.08582	0.3
97.02869	1.3
97.06526	0.3
105.07034	0.4
107.01293	0.3
107.04967	2.4
107.08603	0.7
109.02882	0.8
109.10163	0.4
112.25719	0.2
117.03380	10.5
119.04924	0.4
119.08585	0.4
121.02891	0.4
121.06491	0.4
122.09652	0.3
123.04440	0.9
127.03905	0.3
131.08588	0.4
133.10130	0.3
134.09663	0.9
135.04419	18.2
135.11678	0.3
137.05984	0.4
139.03874	0.3
145.02847	13.4
145.10101	0.5
146.58682	0.3
147.04414	0.9
147.07655	0.4
149.02345	0.3
149.06001	1.0
151.03926	4.9
163.03905	100.0
164.04259	0.6
165.01839	0.5
165.05481	2.6
173.13304	0.3
175.03992	0.4
177.05440	1.5
178.06253	1.7
181.04945	0.9
186.05482	0.5
189.05479	1.0
192.04234	0.3
192.13860	0.5
193.04976	1.8
201.05597	0.4
203.07109	0.3
205.04961	11.4
206.05753	14.0
207.06552	1.1
217.04956	5.5
219.06654	1.8
219.10143	6.2
220.01756	0.3
227.07066	0.4
229.04976	0.6
230.05771	0.6
231.06432	1.3
233.04382	0.7
235.06012	68.5
243.03011	0.3
245.04611	0.3
245.08092	1.1
246.18535	1.0
247.05963	0.6
255.06451	0.8
259.06033	4.5
263.20975	0.3
265.07214	0.5
273.07379	0.5
283.05984	1.6
289.07089	1.6
299.05829	0.3
301.07123	2.7
303.08606	0.3
319.08173	2.2
337.09183	10.1
338.23218	0.6
355.10229	12.6
355.25739	1.5
371.15015	0.7
384.88193	0.3
499.12253	0.8
517.13275	8.6
517.22296	1.5
517.30859	5.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.1345
Annotation	1,3-Dicaffeoylquinic acid
Peak:m/z	Relative Intensity
54.74144	0.2
57.69556	0.2
58.99540	0.2
63.02372	0.6
66.84744	0.2
66.90152	0.2
67.05489	0.2
69.40257	1.3
71.82177	0.2
78.69839	0.2
79.05492	1.4
89.03919	10.0
95.04967	0.6
107.04964	2.4
111.04482	0.2
115.08719	0.2
117.03385	10.9
135.04416	20.5
136.04762	0.3
145.02847	14.4
163.03900	100.0
164.04271	0.5
165.99695	0.2
184.22446	0.2
195.08879	0.2
217.69945	0.2
319.08112	3.5
337.09052	0.8
499.12354	3.0
506.28113	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.1344
Annotation	Unknow
Peak:m/z	Relative Intensity
50.54411	0.4
57.31017	0.3
63.02372	0.7
67.98465	0.4
69.35841	1.1
69.36262	2.1
75.67200	0.3
79.05492	2.0
86.09698	0.7
89.03920	10.6
95.04942	0.6
104.10739	0.5
107.04954	2.2
117.03381	12.1
123.04485	0.7
124.99980	0.4
135.04422	20.3
145.02858	13.7
145.03931	0.6
147.04364	0.4
151.03889	1.8
163.03912	100.0
164.04314	0.5
181.05016	1.0
184.07338	2.2
185.07686	0.9
196.44154	0.3
203.01712	0.4
205.08549	0.6
233.08073	1.3
319.08124	2.2
329.06610	0.4
337.09119	1.2
341.92474	0.3
379.57104	0.4
413.21155	0.6
463.45642	0.4
499.12408	1.9
517.15704	0.4
517.23169	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.1343
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.5
55.73834	0.2
57.52551	0.2
63.02356	0.6
66.14102	0.2
70.91895	0.4
79.05502	1.4
79.05865	0.2
89.03921	9.7
89.06018	0.3
95.04974	0.6
97.47812	0.2
105.04462	0.3
107.04953	2.6
111.67447	0.3
117.03385	11.2
135.04420	20.7
145.02850	14.2
145.03880	0.5
155.66713	0.3
163.03905	100.0
164.04279	0.3
239.93004	0.2
304.88666	0.3
319.08136	2.7
337.09061	0.9
369.89465	0.3
499.12238	2.3
517.22394	0.4
526.52295	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	516.2654
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	4.0
55.05273	1.9
55.05515	26.6
56.96560	1.7
57.03434	12.0
57.78086	1.4
59.05000	59.8
61.02921	3.6
65.03923	1.7
67.05504	70.1
69.03433	7.3
69.07063	6.3
70.06585	4.5
71.01355	1.5
71.04980	3.7
71.53004	1.6
72.08136	1.5
73.02921	1.9
79.05495	11.7
81.03429	7.3
81.07058	19.0
83.04977	3.5
83.08623	13.9
85.02905	20.6
85.06557	2.7
86.09682	4.3
87.00818	2.5
87.04475	7.8
89.03918	2.0
91.03944	2.3
91.05479	5.6
93.07035	7.4
93.15493	1.2
94.06514	1.4
95.04967	1.9
95.08592	8.8
96.04489	1.3
97.02897	7.8
97.06481	2.2
97.10171	18.4
98.97614	1.6
99.08084	2.0
103.03945	4.1
105.07026	3.4
107.04951	3.5
107.08582	8.7
109.02870	2.9
109.06500	1.4
109.10159	64.8
111.04427	2.4
111.08060	3.1
116.07078	1.4
117.03377	2.9
117.07012	1.8
117.09142	17.8
119.08585	7.8
121.02087	1.3
121.06516	1.4
121.10123	3.3
122.06018	2.2
123.04401	2.5
124.03944	4.4
125.09628	23.4
127.03934	3.6
131.08591	1.9
135.04404	5.1
135.11693	2.2
137.06001	2.2
137.09615	4.9
139.03867	1.2
140.07045	3.0
141.07367	1.8
143.10675	4.5
145.02832	2.7
145.10054	1.9
146.06007	2.5
147.06454	1.5
148.24687	1.5
153.12785	1.3
155.10667	13.9
163.03909	20.6
163.11176	3.9
173.09520	3.0
173.10115	2.1
173.11737	40.9
174.05429	2.2
175.13306	5.8
177.05582	1.4
193.12335	1.6
199.13289	3.1
209.11809	3.4
215.07047	1.9
217.14435	3.4
227.12759	2.6
229.14355	100.0
231.10068	2.1
247.05936	1.2
251.18536	54.8
253.09985	1.4
268.08200	2.0
269.08392	2.7
270.08578	1.6
280.06650	1.5
282.04715	1.4
283.09976	1.4
295.06256	1.4
301.16544	6.8
314.12076	1.5
315.12521	1.8
319.17502	18.4
324.05856	2.3
337.38998	1.3
341.11447	1.5
342.11597	1.6
343.11896	3.7
382.71103	1.4
442.18945	1.6
463.21613	3.2
481.22607	1.9
484.19714	7.0
498.21304	1.5
516.22455	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	516.2647
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	1.7
55.01861	4.1
55.05281	1.7
55.05515	21.9
57.03436	9.9
57.07079	0.9
59.05003	47.2
61.02921	3.4
65.03926	1.3
67.05505	54.3
69.03430	4.8
69.07075	4.8
69.51508	5.0
69.51915	1.2
70.06583	3.4
71.01344	1.1
71.04987	3.9
72.08134	2.1
73.02899	2.1
79.05490	10.3
80.98117	0.9
81.03417	5.4
81.07054	15.6
83.04968	4.0
83.08620	10.4
84.04519	0.9
85.02905	17.4
85.06525	2.2
86.09689	2.6
87.00829	1.5
87.04478	6.6
89.03902	1.3
91.03951	2.0
91.05487	6.2
93.07055	4.4
95.04955	2.0
95.08602	8.6
97.02884	6.4
97.06511	2.6
97.10173	16.6
98.09677	1.1
98.21493	1.2
98.97590	1.5
99.04450	2.5
99.08083	1.8
101.09718	0.9
103.03953	3.3
105.07011	2.6
106.02901	1.4
107.04922	2.1
107.08579	8.0
108.04464	1.0
109.02883	2.2
109.10162	54.1
111.04459	1.4
111.08073	2.8
116.07055	1.1
117.03384	1.5
117.07047	0.9
117.09138	13.4
119.08578	5.8
121.06450	1.3
121.10114	2.4
122.02350	1.2
123.08057	1.1
124.03986	4.5
125.04298	1.3
125.09627	21.9
127.03930	4.4
129.07050	1.1
131.08560	2.0
133.10083	1.0
135.04358	2.4
135.08015	1.2
135.10170	1.6
135.11652	2.1
137.05975	2.6
137.09601	3.2
140.07040	3.4
141.07419	1.2
143.10684	5.1
145.02849	1.5
145.04863	1.2
145.10149	3.0
146.06012	2.1
147.06325	1.6
153.01793	1.7
153.12741	2.4
155.10666	9.5
162.05405	0.9
163.03918	12.4
163.11282	4.2
173.04431	0.9
173.11745	39.4
174.05426	1.2
175.05766	1.3
175.13290	4.1
189.11198	1.1
191.10706	1.8
193.12271	2.2
194.10298	1.0
199.13287	3.9
203.06985	1.0
209.11731	2.9
217.14334	3.2
227.12790	3.8
229.14359	100.0
238.15790	1.1
246.14883	2.0
250.26721	1.0
251.18542	49.8
268.08130	1.8
269.08582	1.8
282.04694	1.0
283.15408	1.7
287.04913	1.1
296.06354	1.2
301.10983	1.7
301.16360	5.3
314.12045	1.1
315.12332	1.3
319.17505	17.9
324.05957	2.1
342.11496	1.9
343.11871	3.0
362.12399	0.9
463.21664	5.7
481.22745	1.5
484.19937	4.7
498.20840	1.5
516.20703	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.3732
Annotation	3beta-Acetoxy-18alpha-hydroperoxy-12-oleanen-11-one
Peak:m/z	Relative Intensity
55.05506	30.5
58.01471	6.3
67.05514	38.6
69.03432	10.3
69.07060	23.2
71.04980	21.6
79.05505	42.7
81.07056	60.3
83.08612	13.6
91.05469	41.2
93.07046	66.7
95.04908	7.1
95.08621	99.8
97.06518	19.3
97.10153	12.9
99.08093	9.4
105.07025	71.0
107.08594	100.0
109.10170	46.2
111.08084	12.5
113.09633	16.4
117.07000	12.9
119.08588	83.6
121.10146	63.4
123.08051	14.9
123.11717	25.8
125.09640	23.0
127.11191	11.9
131.08539	45.1
133.10138	83.5
135.08122	6.2
135.11676	36.4
137.09608	8.1
142.07848	6.6
143.08568	24.3
145.10136	72.3
147.08000	7.4
147.11681	73.4
149.09621	9.3
149.13257	26.4
153.21159	7.0
157.10156	38.8
159.11690	69.5
161.09598	18.5
161.13292	39.9
161.14464	6.9
163.11179	7.3
163.14813	11.4
169.10110	10.8
171.11676	22.4
173.13261	30.0
175.11122	8.6
175.14824	23.1
177.16348	7.9
177.19052	7.5
183.11642	12.2
185.13322	20.6
187.14780	20.4
189.12759	9.6
189.16399	18.6
191.14337	11.1
193.15840	8.5
197.13199	13.7
199.14835	17.8
201.16383	19.6
203.14314	52.5
203.18120	14.4
205.15889	26.8
213.16461	14.0
215.14513	8.0
215.17957	17.2
217.15871	17.9
219.17458	8.5
227.17902	8.4
229.15819	9.4
229.19469	11.0
231.17375	15.1
233.19037	27.3
243.17284	10.8
243.21036	7.4
271.60294	7.3
272.15881	6.4
295.24213	20.8
311.23608	8.4
313.25275	87.7
351.26636	7.1
419.33212	49.4
437.34277	69.6
455.35406	13.4
473.36075	10.8
479.35217	15.2
497.36130	14.5
508.71936	7.1
515.37366	55.9
536.46216	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	515.3733
Annotation	rubiarbonone C
Peak:m/z	Relative Intensity
55.05503	7.1
57.07069	3.0
62.09169	1.7
67.05492	6.6
69.07056	10.9
69.79771	7.3
69.80193	3.8
71.08602	2.3
79.05490	8.6
81.07050	15.7
83.08598	5.8
85.10149	1.8
89.06003	2.0
91.05497	10.3
93.07039	18.2
95.04975	1.7
95.08607	36.0
97.10165	2.8
98.21497	2.6
99.08097	12.2
105.07026	24.6
107.08591	36.3
109.10160	21.8
117.06996	2.5
119.08580	41.1
121.09333	2.5
121.10155	30.5
123.08092	2.3
123.11680	7.7
131.08582	22.9
133.10130	30.7
135.11703	23.4
137.13249	2.3
143.08539	2.7
145.10132	22.7
147.11703	36.4
149.13289	9.6
157.10127	5.3
159.11711	22.2
161.13260	12.5
163.14809	8.5
173.13203	8.8
175.14784	9.8
177.16429	4.2
179.14291	2.8
183.39571	1.8
185.13284	2.6
187.14815	23.1
189.16409	12.9
191.17960	100.0
199.14807	2.5
201.16388	55.0
203.17986	23.6
213.16272	2.5
215.17873	4.6
217.19514	7.7
219.17377	13.3
229.19467	3.7
231.21071	1.9
247.16928	2.5
265.17917	3.9
267.20819	2.2
334.10577	1.8
337.28909	4.3
391.33621	7.2
409.34698	34.4
437.34103	12.0
455.28998	3.3
455.35257	55.0
515.36511	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.3217
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	3.8
55.01866	2.7
55.05509	19.2
56.96558	3.1
57.03432	7.8
57.07065	6.1
61.02928	3.8
67.05506	85.1
69.03420	5.6
69.07070	17.7
69.81727	4.2
69.82129	8.3
71.01358	1.9
71.05000	4.4
79.05492	54.5
81.03407	6.5
81.07058	89.7
83.04961	2.7
83.08611	9.9
85.02895	6.1
85.06528	3.5
91.03961	2.6
91.05482	38.9
93.07043	76.2
95.04962	7.5
95.08608	73.1
97.02892	5.8
97.06528	6.4
97.10182	4.9
99.08057	3.9
105.07032	29.8
107.04919	2.7
107.08597	47.3
109.06499	5.4
109.10155	34.2
111.08070	2.4
115.05404	2.4
117.07001	13.8
119.07811	2.7
119.08591	31.3
121.10143	43.1
123.08104	2.9
123.11691	19.3
125.09625	3.2
127.03943	2.4
129.07018	4.9
131.08572	29.3
133.06453	2.0
133.10141	19.2
135.08051	3.0
135.10701	2.7
135.11696	36.1
137.09589	4.0
137.13269	7.0
139.11180	2.0
143.08569	3.2
145.10139	23.9
147.11636	17.2
149.09686	2.5
149.13237	26.1
151.11176	2.6
155.08586	3.0
157.10132	3.3
159.11684	23.6
159.69206	1.9
161.09584	3.6
161.13268	15.5
163.11189	2.1
163.14851	15.9
165.12701	4.7
171.11661	3.5
173.13269	19.2
175.11186	2.4
175.14835	4.8
177.12729	2.7
177.16389	6.2
179.14267	2.1
184.07387	3.4
185.13263	2.8
187.14842	13.1
189.16243	2.0
191.14301	3.6
197.13268	2.5
201.16425	3.7
205.15752	3.2
233.22630	5.7
243.21100	28.4
261.22137	100.0
279.13403	2.5
279.23260	3.0
279.64786	2.7
303.23184	5.4
306.27820	3.3
335.25937	14.0
345.24451	3.6
353.26874	22.7
369.24344	3.7
377.26804	3.0
387.25064	3.8
405.26385	3.3
413.33447	2.3
419.27911	3.2
443.28247	4.9
452.49133	2.0
461.28671	3.2
479.29608	2.5
497.30627	5.0
514.81763	2.6
515.38062	10.7
519.23914	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.3216
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	3.9
55.05514	21.7
57.03418	9.0
57.07060	4.7
61.02909	3.9
65.03917	2.6
67.05508	92.1
69.03415	6.6
69.07076	16.8
69.36516	16.3
71.01375	2.2
71.04965	6.4
71.08631	1.9
73.02914	2.0
79.05496	50.6
81.03411	5.1
81.07059	100.0
83.04987	5.3
83.08624	11.6
85.02905	7.0
85.06528	3.5
91.03959	3.7
91.05485	38.3
93.07047	67.2
95.04970	4.8
95.08611	81.7
97.02881	6.5
97.06516	6.5
97.10161	5.8
99.08083	3.5
105.07033	35.5
107.04927	2.1
107.08601	53.8
108.23283	2.0
109.06496	5.6
109.10160	42.8
111.08066	3.8
111.66197	1.8
117.07027	11.3
119.08586	29.0
121.06440	3.9
121.09339	2.9
121.10146	46.5
121.96091	2.1
123.08073	4.8
123.11730	19.3
125.09653	12.5
129.06995	5.4
131.08580	25.8
133.10132	26.5
135.08046	4.0
135.11693	35.0
137.09659	3.3
137.13226	6.7
139.11147	3.3
143.08557	5.7
145.10133	25.1
147.11684	19.2
149.09628	3.4
149.13264	25.5
151.11203	3.5
151.14844	2.1
155.08522	2.0
156.03552	2.2
157.10153	5.4
159.11716	21.6
161.09671	3.6
161.13260	15.2
163.11148	4.7
163.14841	16.1
165.12784	2.5
169.10150	3.5
171.11650	5.6
173.13283	21.1
175.14821	5.5
177.12737	4.2
177.16406	5.2
179.14330	2.0
185.13243	5.0
187.14836	14.1
187.81520	2.0
191.14294	4.8
199.14961	2.6
201.16374	5.9
203.14326	3.9
205.15875	6.8
213.16447	2.8
215.17964	2.9
225.16270	2.4
231.17245	2.4
233.19040	2.3
243.21078	24.7
261.22131	75.1
277.13846	2.6
279.23364	5.0
285.22272	2.1
306.27911	3.1
313.25269	4.1
325.54510	2.1
335.25830	31.4
345.24344	2.9
353.26883	20.6
387.25128	3.2
419.27902	4.4
419.33029	2.9
437.33905	7.2
443.28033	3.7
454.02615	2.3
455.43640	1.9
461.28711	3.9
497.30637	7.3
515.37433	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	515.1166
Annotation	Unknow
Peak:m/z	Relative Intensity
52.64514	0.4
55.99222	0.4
56.96570	0.9
60.00228	0.4
61.02927	0.4
69.07070	0.9
69.25411	3.4
70.06605	0.5
71.29135	0.4
71.68723	0.4
78.24503	0.4
79.05492	0.7
81.03413	0.7
81.07045	0.7
82.21921	0.4
83.04981	0.5
85.02917	1.0
87.00827	0.4
89.03931	0.4
91.05492	6.6
93.07068	0.7
97.02887	1.1
97.06530	1.6
105.07015	0.6
107.08615	0.6
119.04900	0.7
119.08631	0.4
119.78454	0.4
133.10194	0.6
139.03842	0.8
143.08595	0.5
145.02953	0.7
147.04414	1.5
155.55103	0.5
163.03929	1.8
167.03244	0.8
167.07092	1.0
173.02374	0.5
176.00859	0.8
177.05545	1.2
185.04256	1.1
205.24237	0.5
215.07091	1.0
227.05257	1.6
259.09705	1.0
266.05481	4.5
267.06274	3.7
271.04245	3.4
295.05899	0.6
345.33908	0.5
357.29459	0.5
429.11426	3.4
453.11267	0.6
471.12677	32.0
515.11646	100.0
516.11890	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.3214
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	5.7
55.01870	7.7
55.05508	27.5
57.03430	8.8
61.02922	4.6
65.03938	7.8
67.05180	5.7
67.05508	79.4
69.03417	7.7
69.07071	25.1
71.04982	8.9
71.17499	6.1
73.02870	5.2
73.34429	5.4
79.05482	52.9
81.03392	12.7
81.07055	94.2
83.04974	6.4
83.08606	21.4
85.02915	15.7
85.06531	6.0
91.03946	7.9
91.05468	41.8
93.07043	57.8
93.20410	4.6
95.04960	12.6
95.08608	74.6
97.02885	11.4
97.06516	9.3
97.10159	9.3
98.97610	7.4
99.08139	6.5
105.07049	35.2
107.08598	36.2
109.02850	4.0
109.06514	11.3
109.10165	28.5
112.39326	4.5
115.05386	4.5
117.07034	18.2
119.08597	30.0
121.10149	40.0
123.08125	6.3
123.11701	14.6
129.07097	4.3
131.00160	4.6
131.08565	23.8
133.10168	23.7
135.08040	6.1
135.11703	29.0
145.10098	24.0
147.04367	21.7
147.11676	16.8
149.01236	4.8
149.13242	18.3
156.03629	4.4
157.10139	9.1
159.11674	18.3
160.07095	5.3
161.13274	15.4
163.14743	5.1
171.11665	5.9
173.13260	18.3
179.14340	4.9
187.14806	10.7
233.22639	6.9
243.21027	16.6
245.51236	3.9
249.88557	4.0
261.22159	55.2
268.29205	4.1
335.25848	20.4
345.24200	6.4
353.26852	24.5
358.16312	12.0
358.66626	29.6
359.16583	8.7
419.27963	9.2
479.30298	5.2
497.31036	11.8
505.52866	4.9
515.25836	100.0
515.37146	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	515.1167
Annotation	Unknow
Peak:m/z	Relative Intensity
53.54163	0.8
56.96562	1.4
69.51866	0.7
69.52192	5.1
69.70464	0.7
70.06594	0.7
73.41481	0.7
92.67201	0.7
98.97594	6.7
108.40300	0.7
110.97569	0.7
116.98677	1.7
124.99133	1.9
128.98680	1.1
131.68427	0.7
143.00191	2.0
158.99698	3.5
161.01248	1.0
177.00786	2.0
185.01213	1.3
203.02403	1.0
208.83063	0.6
219.01697	3.4
221.06046	2.0
237.02943	1.2
245.03348	1.0
245.40701	0.7
249.05623	1.0
272.44333	0.8
277.05176	1.4
295.06113	2.6
323.05463	8.5
363.05954	2.9
514.25366	0.9
515.11639	100.0
516.11871	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.1165
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05498	1.2
55.06655	0.6
57.03452	1.0
58.71318	0.9
59.70960	0.6
67.05495	1.5
69.03436	1.7
70.06585	1.2
71.52641	1.1
71.53051	0.8
77.72398	0.6
79.05492	2.0
80.91995	0.6
81.03418	1.7
81.07042	2.8
83.04966	1.0
85.02888	0.9
87.04440	0.7
89.03987	0.7
91.05477	10.7
93.07053	1.7
95.05001	0.8
95.08617	1.4
97.02884	2.6
97.06524	1.4
105.07024	1.6
107.08595	1.9
109.02891	1.0
109.10159	1.1
112.33253	0.8
117.07036	0.7
119.08598	2.2
119.46729	0.7
121.06526	1.5
121.10122	0.9
123.04443	1.5
127.03913	0.7
131.04742	1.3
131.08521	1.0
133.10143	1.7
135.11731	0.8
139.03902	1.7
145.02820	1.1
145.10170	0.8
147.04399	2.7
148.98932	0.7
159.00597	0.9
163.03879	3.9
163.11127	1.8
177.05473	2.0
185.04268	1.5
221.08025	0.9
223.07343	0.7
227.05241	1.9
240.14206	0.8
245.06354	2.2
249.05219	6.9
267.06274	10.6
271.04254	6.3
289.05322	6.5
363.06845	2.3
389.04944	1.3
407.05875	9.3
427.13739	2.1
429.11676	2.9
462.93506	0.8
471.12671	23.0
471.19385	1.1
515.11646	100.0
515.24530	4.5
516.12122	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	514.2862
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.7
55.01874	1.1
55.05506	3.0
57.03424	1.2
61.02930	1.3
67.05508	6.0
69.03436	1.7
69.07058	0.9
69.30035	6.8
79.05489	6.3
81.03419	62.5
81.07073	4.7
83.04971	3.4
83.08616	17.4
85.02912	2.0
91.05494	6.9
93.07031	3.7
95.04970	17.5
97.02883	2.5
97.06505	1.3
100.03349	0.9
105.07027	5.0
107.04931	5.2
107.08581	2.6
109.06490	1.7
111.04408	1.6
111.08087	8.2
119.08578	6.7
121.06516	1.7
121.10139	3.1
125.09570	1.1
129.06999	6.6
131.08548	5.9
133.06483	2.0
133.10115	2.9
142.07753	1.4
147.07986	2.2
147.11696	6.5
149.09613	3.4
157.10123	7.9
165.12717	1.2
175.11180	11.4
175.79773	1.1
182.75230	1.0
188.48361	0.9
193.12248	61.3
211.13255	4.7
235.13113	1.4
239.11781	1.3
259.13223	1.7
267.11505	1.7
267.15912	36.2
272.21695	1.1
285.16959	100.0
299.18439	2.6
301.14316	1.5
309.16885	9.1
313.11774	5.1
327.17807	1.1
351.18155	1.5
363.18073	2.4
373.14047	11.5
393.19183	2.0
429.21436	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	514.2862
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.7
53.45995	1.3
55.05491	4.6
57.03435	3.1
61.02917	2.0
66.00916	1.2
67.05508	7.7
69.07063	2.8
69.29489	7.3
69.29920	4.6
70.06592	1.7
71.04996	1.8
79.05494	7.9
81.03418	87.8
81.07053	8.0
83.04977	4.4
83.08617	20.3
85.02911	2.3
91.04992	1.6
91.05482	10.2
93.07040	5.3
95.04970	24.2
95.08598	2.4
97.02889	3.7
97.10179	3.0
98.21486	2.6
105.07029	9.5
107.04963	8.3
107.08625	2.6
109.06512	3.1
111.08070	10.3
111.12934	1.3
119.08569	10.3
121.06508	1.8
121.10113	4.4
123.04443	3.3
123.08128	1.9
129.07013	6.7
131.08553	5.5
133.06482	2.8
133.10133	4.6
137.09589	1.5
140.07083	1.6
142.07701	1.6
147.04301	1.5
147.08067	4.9
147.11674	6.9
149.09593	6.0
157.10118	8.5
163.03841	2.3
171.65770	1.3
175.11169	13.3
193.12248	73.7
211.13306	5.7
235.13251	3.0
239.11781	1.7
259.13278	1.5
267.11475	2.6
267.15921	52.4
273.14844	2.0
279.68802	1.6
285.16959	100.0
295.10736	2.0
298.46021	1.5
309.17017	11.4
313.11728	9.8
319.15149	1.5
341.11392	2.6
351.18045	2.2
363.17834	3.0
373.13901	19.4
375.17789	2.8
393.19165	2.7
399.14523	1.4
411.19968	1.6
429.20886	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	514.2188
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	0.8
55.54704	0.8
57.74746	0.8
57.75817	0.9
65.03941	1.0
67.05499	2.5
68.05070	0.8
69.03415	1.4
69.07059	6.3
69.90646	3.8
70.06581	3.7
73.97067	0.8
76.39604	0.7
79.05480	1.7
80.05005	1.2
81.03418	1.4
81.07062	1.3
85.02889	2.5
86.09692	2.1
87.91176	0.8
91.05468	1.9
92.02563	0.8
93.05794	0.7
93.07069	1.0
94.06574	9.9
95.04967	1.8
95.08601	1.1
97.02863	1.0
97.06571	1.4
98.06045	2.2
105.07080	1.0
107.04945	0.9
108.04485	23.1
109.10139	1.0
112.07601	3.3
117.03358	0.9
118.06522	1.3
122.02393	2.6
122.06035	35.6
123.04422	2.4
124.07585	1.3
127.03902	1.1
131.08582	0.9
135.67584	0.7
137.05855	0.9
137.90439	0.7
138.05508	1.0
139.03886	1.5
140.07072	82.3
144.04430	2.1
145.02876	1.2
145.05193	1.1
145.10126	1.2
146.06013	31.1
148.07532	0.8
150.05525	3.7
151.03931	1.4
161.05937	1.1
162.05560	1.0
163.03947	1.6
168.06575	21.7
172.03941	11.1
173.04739	11.6
174.05522	57.2
175.07559	1.0
176.07098	1.1
177.05534	1.5
184.07341	1.0
189.09137	0.9
190.05008	1.0
191.05754	6.5
192.06583	2.2
203.06995	3.0
204.06577	18.3
206.08136	11.6
215.07027	1.4
239.11772	0.8
253.09657	1.9
259.09653	1.1
267.11307	3.1
271.20590	1.7
281.09171	1.5
285.12329	9.6
292.06287	0.9
295.10788	2.9
297.12390	3.3
298.10541	1.5
299.10291	7.9
299.19910	1.8
300.11078	1.4
313.11819	43.5
317.21149	1.6
323.10269	2.8
324.10962	2.7
331.12878	3.4
341.11340	25.5
345.14493	2.6
356.13641	1.1
362.12280	1.4
373.13956	7.6
407.57230	0.8
438.20206	1.5
440.18094	4.5
464.18048	2.1
482.19272	100.0
483.19440	1.7
496.21191	5.1
500.20126	4.1
514.21265	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	514.2189
Annotation	Unknow
Peak:m/z	Relative Intensity
53.29984	0.7
55.05500	1.0
61.19404	0.8
67.05492	2.5
68.05005	1.0
69.07067	6.4
69.53001	5.8
70.06597	7.9
71.45368	0.8
74.31096	0.7
80.05026	0.9
81.03362	1.2
91.05491	1.2
94.06567	9.7
95.04948	1.7
98.20759	1.6
104.05014	1.1
108.03809	1.6
108.04483	20.0
112.07607	2.9
114.05500	0.8
116.07060	0.8
118.06542	1.0
122.05167	1.7
122.06038	32.0
123.04448	2.3
124.07607	0.8
132.04402	1.0
140.07071	70.4
143.67438	0.9
144.04478	1.1
145.05173	1.6
146.06020	33.0
150.05490	2.7
159.09200	6.4
161.06067	1.0
163.03926	1.1
167.05447	0.8
168.06572	20.1
172.03969	10.7
173.03328	1.2
173.04747	13.6
174.05521	53.4
176.07036	1.4
179.46654	0.9
190.05008	1.1
191.05859	5.9
192.06610	1.3
203.06985	2.3
204.06523	10.4
206.08128	10.2
225.10162	1.5
234.11363	0.9
237.10139	0.9
239.11804	1.1
241.09610	1.6
252.09123	1.4
253.09636	2.1
267.11288	2.7
281.09247	4.0
285.12323	9.5
295.10748	4.4
297.12521	2.1
298.10733	1.8
299.10349	7.9
300.11172	1.3
313.11819	41.1
323.10260	3.4
324.11130	3.1
331.12811	3.3
341.11349	35.9
345.14380	1.5
356.13748	1.9
359.12454	1.5
360.25494	1.0
362.12302	2.4
373.13901	9.0
399.16412	1.3
440.18146	6.3
464.18475	4.6
482.19254	100.0
483.19351	1.7
496.20776	6.2
500.20178	2.4
514.21735	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	514.2189
Annotation	Unknow
Peak:m/z	Relative Intensity
53.29984	0.7
55.05500	1.0
61.19404	0.8
67.05492	2.5
68.05005	1.0
69.07067	6.4
69.53001	5.8
70.06597	7.9
71.45368	0.8
74.31096	0.7
80.05026	0.9
81.03362	1.2
91.05491	1.2
94.06567	9.7
95.04948	1.7
98.20759	1.6
104.05014	1.1
108.03809	1.6
108.04483	20.0
112.07607	2.9
114.05500	0.8
116.07060	0.8
118.06542	1.0
122.05167	1.7
122.06038	32.0
123.04448	2.3
124.07607	0.8
132.04402	1.0
140.07071	70.4
143.67438	0.9
144.04478	1.1
145.05173	1.6
146.06020	33.0
150.05490	2.7
159.09200	6.4
161.06067	1.0
163.03926	1.1
167.05447	0.8
168.06572	20.1
172.03969	10.7
173.03328	1.2
173.04747	13.6
174.05521	53.4
176.07036	1.4
179.46654	0.9
190.05008	1.1
191.05859	5.9
192.06610	1.3
203.06985	2.3
204.06523	10.4
206.08128	10.2
225.10162	1.5
234.11363	0.9
237.10139	0.9
239.11804	1.1
241.09610	1.6
252.09123	1.4
253.09636	2.1
267.11288	2.7
281.09247	4.0
285.12323	9.5
295.10748	4.4
297.12521	2.1
298.10733	1.8
299.10349	7.9
300.11172	1.3
313.11819	41.1
323.10260	3.4
324.11130	3.1
331.12811	3.3
341.11349	35.9
345.14380	1.5
356.13748	1.9
359.12454	1.5
360.25494	1.0
362.12302	2.4
373.13901	9.0
399.16412	1.3
440.18146	6.3
464.18475	4.6
482.19254	100.0
483.19351	1.7
496.20776	6.2
500.20178	2.4
514.21735	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	513.3063
Annotation	fusicoccin P
Peak:m/z	Relative Intensity
53.03947	3.9
55.01859	3.0
55.05518	12.6
57.03438	6.6
57.07050	3.3
61.02922	14.2
66.67581	2.0
67.05508	33.8
69.03434	5.6
69.07071	10.4
70.28876	1.6
70.42456	6.2
71.04995	4.2
71.27356	1.7
72.68298	1.6
73.02901	5.6
79.05495	35.9
80.24635	1.7
81.03425	5.6
81.07064	31.0
83.05006	4.2
83.08609	7.9
85.02884	10.3
85.06529	2.2
91.03944	7.4
91.05483	29.2
93.07047	40.2
95.04971	5.0
95.08611	22.5
95.41802	1.8
97.02901	8.9
97.06545	2.8
97.10181	1.9
99.04495	2.2
99.08110	3.3
101.51395	1.8
105.07037	32.4
107.04947	2.4
107.08596	29.0
109.06570	2.6
109.10159	12.2
117.07002	8.1
119.07806	2.7
119.08584	26.3
121.10143	21.9
123.11713	2.7
127.03928	2.2
129.06996	8.4
131.08577	13.1
133.10138	28.2
135.04358	2.3
135.08067	3.8
135.11705	22.1
143.08562	7.8
145.06502	2.7
145.10158	13.4
147.11717	21.2
149.13219	10.5
157.10091	6.0
159.08109	2.2
159.11658	11.0
161.13278	18.4
163.14824	3.7
169.10245	2.4
171.11697	9.5
173.13235	6.8
175.14810	11.2
185.13237	10.7
187.14809	3.2
199.14873	4.9
201.12918	2.1
207.11772	2.4
213.16380	2.0
217.19492	3.3
221.15407	2.4
231.17406	2.9
231.21046	5.0
241.19536	20.0
259.20569	47.8
277.21704	6.8
279.13760	7.5
333.24240	8.2
349.23740	3.2
351.25327	100.0
363.24969	3.2
423.23633	2.8
441.26471	4.6
477.28360	5.4
495.29218	5.6
513.29602	6.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.3747
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	3.7
57.07079	90.6
58.04198	7.1
59.05004	36.6
62.27018	2.0
63.65245	2.1
67.05490	4.0
69.07063	4.3
69.70780	9.8
71.08633	100.0
72.05758	4.9
73.02921	5.1
81.07082	2.7
83.08628	3.0
84.48729	2.2
85.10187	90.0
87.04453	9.6
88.07652	3.2
89.06030	13.0
90.01919	24.7
95.08568	3.2
97.10143	3.3
99.11721	11.8
101.05990	2.5
101.09627	3.6
103.07581	3.9
115.07513	2.4
117.09110	7.3
133.08612	4.5
134.02780	2.4
135.25958	2.6
141.13168	2.3
141.16365	7.2
143.71005	2.0
155.17958	2.8
165.11273	2.3
169.15895	2.8
178.06981	2.4
198.19817	2.6
199.20580	15.6
222.09709	8.9
233.17387	2.4
240.10721	3.3
256.26385	3.2
257.24670	5.7
283.26382	3.3
284.26416	2.6
298.14896	3.8
362.32730	5.9
417.75488	2.2
513.37836	4.4
513.50696	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	513.3061
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	4.1
54.84960	2.4
55.05521	10.4
57.03423	5.2
57.07066	3.2
61.02930	14.8
65.03937	3.8
67.05501	32.3
69.03431	4.3
69.07062	8.6
71.04984	4.4
71.52599	2.0
73.02917	4.6
79.05501	30.3
81.03407	3.9
81.07053	23.8
83.08628	4.3
85.02912	13.0
91.03953	6.1
91.05485	31.5
93.07051	36.9
95.04963	3.5
95.08607	19.1
97.02880	9.5
99.08090	2.9
101.02370	2.6
105.07034	38.9
107.08598	23.6
109.06481	3.2
109.10168	9.4
117.07011	9.6
119.08579	37.1
121.10159	19.6
123.11758	2.3
129.07007	8.3
131.08600	18.7
133.10126	28.7
135.11703	16.8
142.07780	2.3
143.08566	8.4
145.10120	17.1
147.08044	2.6
147.11696	25.5
149.09650	3.0
149.13242	10.6
155.08585	2.5
157.10144	10.0
159.11668	14.2
161.09584	2.4
161.13242	21.5
163.11201	2.5
163.14830	4.6
171.11707	10.4
173.11977	2.0
173.13216	11.3
175.14830	10.1
183.11688	2.9
185.13275	7.6
185.61705	2.1
187.14944	2.4
189.12746	2.3
197.13202	2.9
199.11182	2.1
199.14824	5.4
213.12799	2.4
213.16420	4.1
217.15944	2.0
231.17242	2.0
231.21133	6.0
241.19524	22.6
259.20578	49.2
277.21768	2.3
288.20114	2.2
301.21588	2.4
325.21594	2.2
333.24188	3.0
349.23734	5.7
351.25290	100.0
363.25284	2.7
387.25043	2.6
403.25162	2.1
417.26535	3.9
429.26456	2.3
441.26273	4.6
459.21188	1.8
459.27423	7.2
495.29184	6.0
513.35632	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	513.3061
Annotation	fusicoccin P
Peak:m/z	Relative Intensity
53.03950	3.0
55.05518	8.9
57.03451	6.1
57.07074	1.5
61.02926	11.0
63.74791	1.2
66.76824	1.1
67.05505	23.1
69.03439	4.7
69.07076	8.4
71.04986	3.5
71.08637	1.3
71.53332	1.6
73.02913	4.1
79.05495	35.0
81.03403	2.7
81.07058	25.9
83.04966	3.0
83.08624	5.2
85.02904	11.0
85.06516	1.7
91.03932	6.3
91.05482	26.3
93.06479	2.7
93.07047	41.8
95.04971	3.8
95.08603	19.5
97.02892	5.7
97.06541	3.6
97.10161	1.7
99.04436	1.6
99.08096	2.9
101.02421	2.1
103.05382	1.2
105.07030	26.8
107.04954	2.3
107.08602	28.7
109.10176	9.0
117.07056	6.3
119.08585	28.0
121.06579	1.6
121.10149	18.7
123.08064	1.4
123.11707	1.9
125.09586	1.3
126.45428	1.2
127.03948	2.0
129.07019	6.3
131.08588	14.1
133.10138	26.1
135.08112	1.7
135.11682	23.4
137.09671	1.7
139.11272	1.3
143.08585	7.2
145.04962	2.6
145.10123	13.1
147.11699	23.9
149.09627	1.9
149.13277	14.5
157.10107	6.1
159.11687	13.2
161.09683	1.6
161.13278	21.2
163.11198	3.3
163.14835	4.6
167.08543	1.6
169.09998	1.8
171.11652	8.7
173.13243	9.3
175.11269	1.3
175.14813	11.4
179.14352	2.0
181.10124	1.3
183.11703	2.0
185.13255	8.0
187.14838	3.0
189.12743	1.5
197.13197	1.7
199.14809	4.5
213.16441	3.5
217.19659	2.0
231.17493	1.8
231.21063	4.6
241.19498	18.0
259.20578	43.2
273.22104	1.5
277.21576	8.8
300.93384	1.5
333.24277	6.6
349.23889	3.1
351.25290	100.0
355.22693	1.4
363.25372	1.7
367.22745	2.7
375.25177	2.4
429.26385	1.8
441.26263	6.8
457.48245	1.6
459.27344	4.4
477.28568	3.5
495.29605	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.1397
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02374	0.3
53.03939	0.4
54.26855	0.2
55.01864	0.2
55.05503	0.9
57.03415	0.4
59.04989	0.8
63.02353	1.1
65.03921	0.6
67.05514	1.7
69.03416	0.4
69.07067	0.5
70.06600	0.3
71.09763	0.5
77.52412	0.2
78.04699	0.2
79.05495	1.5
81.03418	0.5
81.07061	0.4
83.04994	1.3
83.08628	0.2
85.02903	0.3
86.09673	0.3
87.04459	1.0
89.03915	15.5
91.05484	1.4
92.15361	0.2
93.03427	0.3
93.07030	0.3
95.04970	4.5
95.08583	0.6
97.02859	0.4
97.06507	0.4
105.07008	0.5
106.04157	0.4
107.04948	2.2
109.10162	1.6
111.04430	0.7
117.03380	31.4
119.08539	0.3
123.04407	0.6
125.09644	0.3
127.03935	0.2
132.08130	0.3
133.08426	0.3
134.03641	1.6
135.04411	19.3
139.03886	0.7
145.02843	65.4
147.04449	0.3
149.05980	6.6
158.05991	0.4
162.03192	0.3
163.03899	89.0
164.04195	0.4
173.11726	0.8
177.05466	100.0
178.05923	0.4
181.04979	0.7
186.05423	1.5
188.41672	0.2
192.10136	0.5
193.10564	0.5
229.14305	1.6
246.21494	0.2
281.54770	0.2
319.08118	18.8
333.09659	10.1
409.88657	0.3
492.16754	0.3
492.23730	0.2
513.13855	11.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.27
Annotation	3-O-beta-D-Glucopyranosylandrographolide
Peak:m/z	Relative Intensity
53.03940	2.2
54.49519	1.2
55.01867	1.9
55.05515	1.4
57.03437	3.2
61.02918	2.7
62.72409	1.2
67.05495	3.7
69.03430	12.7
69.14764	12.7
71.04987	2.5
79.05486	6.3
81.03409	5.2
81.07066	7.4
83.05003	1.5
85.02431	2.1
85.02911	25.5
86.59274	1.1
87.04453	2.7
87.59612	1.2
91.05486	8.4
93.07049	9.8
95.04996	1.5
95.08612	6.9
97.02900	9.1
97.06525	4.2
98.20792	2.1
98.97588	1.6
99.04398	1.3
105.07045	10.4
107.08624	7.2
107.70854	1.3
109.02881	3.1
109.06566	6.1
109.10152	2.5
111.08052	3.4
117.07025	3.1
119.08578	10.4
121.06494	5.4
121.10164	4.6
123.04491	1.3
123.08072	20.4
127.03915	5.2
129.07007	2.5
131.08546	6.9
133.06468	3.6
133.10097	3.0
135.08069	11.8
137.09546	1.9
141.06987	2.3
143.08542	5.0
145.04976	2.2
145.06490	4.7
145.10103	6.2
147.08061	19.6
147.11668	2.9
149.09639	17.6
153.12790	1.4
155.08522	2.4
157.07655	1.4
157.10120	5.3
159.08054	5.0
159.11714	5.6
161.09622	7.5
163.11197	3.2
167.08597	1.6
169.10150	3.8
171.08052	2.0
171.11653	7.3
173.09647	5.6
175.11139	2.4
177.05602	1.7
181.10225	1.6
183.11678	1.3
185.09613	2.6
185.13199	2.1
187.11165	5.0
189.12775	1.5
195.11717	3.8
197.09637	2.6
199.11160	4.7
201.12735	3.1
205.12247	8.7
209.13225	2.4
211.14880	2.2
213.12735	8.0
221.20146	1.4
225.16299	1.9
227.14320	2.8
231.13834	1.8
235.14835	1.5
237.16359	3.1
239.14308	4.8
241.15828	1.9
253.15868	2.3
255.17505	9.3
269.15408	1.6
269.19022	5.5
279.17291	6.1
282.34616	1.6
285.18390	2.8
297.15112	1.4
297.18503	45.6
315.19562	75.3
333.20615	100.0
351.21680	97.3
476.57858	1.4
495.25909	2.2
513.19342	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	513.1305
Annotation	Unknow
Peak:m/z	Relative Intensity
58.46708	1.5
58.99850	1.5
68.32059	1.7
69.65305	2.8
69.65672	9.8
75.79565	1.6
82.99854	3.8
98.20782	3.5
101.00896	19.6
109.02891	2.2
113.00856	8.0
115.02481	2.4
117.04008	4.2
119.01932	21.9
127.02407	8.8
129.00307	2.4
131.01913	13.8
133.03455	2.5
135.05046	1.7
137.00829	1.8
139.02380	3.3
143.01907	32.4
145.02643	1.6
145.03510	19.8
147.01404	3.8
153.03931	1.8
155.01915	30.1
156.97896	1.9
157.03503	10.4
159.05019	4.0
161.02974	23.5
163.03999	2.7
167.01945	15.7
169.03452	7.1
171.01454	11.3
171.05034	5.9
173.02983	37.0
179.01904	7.6
183.01411	1.9
185.02969	46.1
187.04488	9.2
189.02472	16.2
197.01498	1.7
197.03046	15.5
199.00888	13.8
199.04514	3.1
203.04028	15.4
207.03433	6.9
209.02901	4.4
213.02405	2.1
215.04050	12.6
215.28461	1.8
217.01965	16.0
221.05042	4.7
227.04036	10.1
229.01869	1.9
231.03514	97.1
235.06750	4.0
243.03560	14.6
245.05093	100.0
249.04602	7.7
255.03494	5.3
257.05087	9.5
261.04547	22.2
263.06143	11.3
273.04651	3.0
275.06131	13.1
291.05655	22.4
293.07117	3.7
301.04184	9.2
305.07217	10.9
315.05527	2.6
319.05042	2.2
321.10071	2.1
322.03616	1.7
333.06650	26.4
335.08273	5.6
347.07910	2.1
351.07605	16.9
365.09320	16.4
366.09848	1.8
370.13455	1.8
404.32959	1.7
410.40552	1.8
513.13184	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	513.1307
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96570	6.8
62.20263	1.3
66.54738	1.4
69.03426	1.8
70.26259	3.1
70.26655	3.1
82.99857	3.3
85.02887	1.6
89.03902	3.7
94.99884	1.8
97.02855	2.2
98.97568	5.1
101.00880	20.1
103.02444	2.3
104.88303	1.6
105.23556	1.3
109.02903	1.5
113.00877	5.3
115.02462	1.8
116.98649	1.3
117.03353	2.9
119.01926	22.7
124.99073	1.8
127.02455	8.4
129.03902	1.4
131.01932	17.5
133.03444	3.9
135.04416	5.8
137.02916	1.9
139.02419	2.1
141.02217	1.9
143.00133	3.5
143.01915	30.1
145.03566	20.3
147.01389	4.7
149.02940	2.3
155.01913	32.9
157.03447	9.9
159.05113	3.1
161.02963	31.4
163.03877	38.2
164.04291	3.3
167.01897	14.0
169.01923	2.1
169.03471	5.7
171.01353	11.0
171.05032	5.5
173.02968	43.9
175.04576	1.7
177.04272	1.4
179.01865	6.3
183.01401	2.6
185.01396	2.0
185.02960	48.2
187.03052	2.1
187.04483	8.7
189.02504	20.2
197.02966	18.0
199.00830	10.8
199.04497	2.8
201.02403	3.4
203.02316	3.0
203.04010	14.7
207.03355	7.7
209.02985	4.3
211.00943	2.5
211.02817	1.5
213.02443	3.7
215.04057	8.7
217.01971	15.2
219.01735	2.3
221.02998	1.9
221.05035	4.6
227.04025	12.2
229.01921	2.8
231.03525	93.6
235.06656	4.5
237.00745	2.6
237.02831	3.2
243.03540	15.4
245.05074	100.0
249.04662	8.1
255.01492	8.8
257.05072	9.2
261.04654	19.7
263.06183	13.2
273.02832	5.8
275.06125	16.3
289.07727	2.1
291.05579	24.4
293.07181	4.7
301.04175	8.4
305.07181	11.6
315.05490	4.7
319.05017	1.7
333.06619	31.8
335.08353	2.8
351.07657	15.0
365.09207	14.2
393.09195	1.9
411.05878	5.8
429.06918	4.2
453.06827	7.5
471.07901	2.0
495.11542	1.6
513.13098	30.1
538.54114	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.3036
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	1.0
55.05277	0.8
55.05518	13.1
57.03445	3.9
57.07084	5.5
67.05186	1.1
67.05511	11.8
69.07074	20.2
70.19495	0.8
71.08623	3.4
71.93610	0.7
79.05498	4.9
81.07063	12.2
83.08626	13.4
85.10185	1.9
91.05483	0.9
93.07053	6.2
95.08609	13.9
97.06545	2.0
97.10168	7.4
98.98474	23.7
107.08598	4.3
109.10149	2.8
111.08169	1.0
111.11736	1.3
117.10046	0.7
121.06277	0.8
121.10162	6.6
122.32968	0.9
126.92518	0.8
133.59503	1.0
135.11697	3.8
139.11113	1.3
149.13269	1.7
155.01064	10.9
169.09885	0.9
193.52670	0.8
220.26926	0.8
229.04794	1.3
229.40405	1.1
247.05681	1.9
265.25235	2.9
339.28952	100.0
400.90646	0.9
475.28055	7.3
479.31021	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	512.1766
Annotation	Unknow
Peak:m/z	Relative Intensity
52.64356	0.7
53.03935	1.5
55.01850	1.0
55.66343	0.6
57.97362	0.6
65.03936	0.7
69.03427	1.4
70.90982	1.1
76.09956	0.6
78.03445	3.3
78.04690	1.5
79.05505	1.8
80.05032	1.2
81.03422	3.3
85.02882	2.0
89.03952	1.2
91.05485	4.0
93.07031	2.5
95.04964	1.3
97.02878	1.1
103.05473	6.7
105.03403	0.9
106.02915	12.0
106.04079	0.6
107.04975	3.3
109.02854	2.6
109.06503	1.1
117.03377	1.5
118.04136	0.7
119.04926	1.8
121.06506	12.0
122.03613	0.7
123.04436	3.3
124.03959	32.2
127.03890	1.8
131.04955	7.8
133.02843	2.6
134.03612	1.3
135.04419	1.7
136.03902	1.5
137.05992	8.9
140.04703	3.2
145.02826	1.7
147.04393	1.8
148.05194	2.3
149.06000	18.5
152.04692	1.3
154.05011	1.7
155.07071	2.5
158.57800	0.7
159.04439	5.9
162.03064	0.8
163.03961	3.9
163.07578	0.9
165.05479	2.1
167.07043	100.0
176.04608	1.6
177.05475	40.8
181.08565	1.2
191.06969	3.1
194.05704	1.2
195.06548	0.9
197.08075	3.4
208.45616	0.7
209.08105	29.8
227.09148	55.2
232.06088	0.9
243.89662	0.7
250.07106	7.9
268.08170	28.7
461.52344	0.6
464.15509	9.4
494.16568	5.0
512.27380	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.3034
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05517	14.1
57.03447	5.3
57.07080	4.6
65.38909	0.5
67.05183	0.8
67.05512	11.0
69.07075	17.2
69.19096	2.9
69.19508	1.6
71.04994	1.0
71.08634	3.4
79.05500	4.6
81.07064	11.8
83.08147	0.9
83.08624	12.7
85.06547	0.6
85.10198	1.3
89.76249	0.5
91.05470	0.6
93.07042	6.1
95.08057	0.9
95.08614	10.6
97.06525	1.7
97.10181	8.3
98.98476	23.7
99.08117	0.5
105.06982	0.5
107.08591	4.1
109.10168	5.7
111.08074	1.2
111.11730	1.6
119.32671	0.5
121.10155	5.6
123.11703	1.3
125.09658	0.7
135.11711	4.0
149.13278	1.3
155.01045	13.1
163.14850	0.7
173.02097	2.5
211.03603	0.7
212.90231	0.7
229.04759	1.2
247.05812	1.1
247.24385	1.3
265.25272	3.7
339.28964	100.0
340.29367	1.1
419.25500	0.9
443.62344	0.5
475.28360	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	511.2544
Annotation	Tricalysioside A
Peak:m/z	Relative Intensity
53.03939	1.4
54.64046	0.8
55.01886	1.6
55.05523	1.3
55.45190	0.9
55.91919	0.9
56.96560	1.5
57.03421	2.7
59.04966	1.0
61.02919	1.9
65.03944	1.7
67.05508	5.8
68.08664	1.0
69.01611	0.9
69.03428	7.7
69.07050	2.3
70.06573	3.2
71.04987	2.8
71.07839	1.1
71.52391	1.0
71.52776	1.1
72.08141	1.2
73.02910	1.5
74.26427	0.8
79.05493	7.7
80.85303	0.9
81.03416	4.7
81.07064	11.5
83.04980	1.1
85.02906	39.4
86.03237	1.3
87.04464	1.4
89.03926	1.8
91.05483	24.3
93.07041	11.3
95.04971	2.1
95.08611	6.8
97.02918	9.3
97.06523	1.4
98.97562	1.6
99.04474	2.2
103.05457	1.6
105.07031	15.1
107.04945	2.2
107.08579	9.6
109.02897	4.9
109.06517	2.2
109.10136	3.9
115.05450	1.7
117.03358	1.3
117.07027	7.8
119.08601	8.3
121.06505	3.3
121.10138	3.9
123.04442	1.6
123.08020	2.1
123.11710	2.1
123.79311	1.0
127.03916	11.0
128.06186	1.5
129.06982	7.0
131.08565	15.2
133.06490	1.6
133.10150	5.8
135.04416	3.1
135.08069	1.3
135.11685	2.8
135.79636	1.0
137.05919	1.5
137.09636	1.7
139.25287	0.9
141.07024	5.2
143.08545	9.2
145.02808	1.8
145.04950	8.6
145.06454	2.7
145.10133	8.3
147.04414	2.2
147.08029	2.8
147.11691	1.9
149.05974	3.9
149.09558	1.9
151.07536	1.8
151.11188	4.6
152.11502	2.8
153.07079	1.0
155.08545	7.4
157.06496	1.5
157.10168	8.3
159.08043	4.6
159.11719	3.2
161.09596	1.2
163.03940	11.6
163.06035	3.9
163.07552	3.3
164.04306	1.6
165.07057	1.5
165.09113	1.6
167.07114	1.5
167.08540	5.1
169.10089	7.0
171.08026	1.3
171.11674	5.2
173.09590	2.8
175.11176	1.3
177.09082	3.0
179.08556	3.0
181.05014	1.8
181.10124	6.9
182.11005	1.0
183.08128	2.0
183.11719	5.9
185.09563	2.2
185.13220	1.9
187.07573	1.6
187.11230	1.7
189.09096	2.3
192.09372	2.1
193.10147	6.3
195.00235	1.0
195.08037	1.6
195.11685	7.6
197.09616	2.6
197.13246	6.3
199.07559	1.8
201.09114	3.2
201.12721	1.4
203.10677	1.5
205.08398	1.0
206.10986	1.1
207.11736	6.7
209.13200	6.1
211.11150	2.2
211.14801	4.4
213.09077	4.0
215.10670	2.6
220.12505	1.2
221.09738	1.2
221.13264	3.5
223.14824	2.5
225.12729	2.9
225.16374	2.8
235.11270	1.4
235.14798	3.7
237.00700	1.2
237.16495	1.4
239.10544	1.2
239.14288	3.1
239.17780	2.3
241.15883	1.1
243.13780	3.2
249.12909	1.4
249.16447	8.3
251.17960	2.0
253.12355	3.2
253.15862	2.8
255.13718	4.1
257.15320	1.8
259.14999	1.2
267.13797	2.0
267.17410	9.4
269.15704	1.2
269.18826	1.4
271.16995	1.5
277.15845	3.9
283.16840	1.7
285.18478	2.6
295.13538	1.6
295.16937	31.4
313.17981	83.2
331.19055	100.0
349.20026	7.3
371.12369	1.8
407.41550	0.9
451.61557	1.0
461.15335	2.9
467.51215	1.0
511.17776	9.2
511.25104	4.0
511.58002	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.4368
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03427	2.9
57.07077	100.0
59.04715	2.2
59.05003	42.9
64.12669	1.6
64.60940	1.4
69.07062	2.4
69.30489	7.8
69.30910	5.8
71.08632	70.9
81.07043	2.3
83.08620	3.5
85.10187	57.2
87.04463	2.5
87.20225	1.9
89.06034	11.7
95.08604	2.8
96.27679	1.5
97.10172	1.8
98.21491	2.6
99.11726	13.4
101.09630	5.3
107.08617	2.6
113.13287	4.5
117.09142	13.1
147.10181	5.3
155.17979	10.5
205.14380	3.3
213.22163	18.7
251.18863	2.0
254.24812	2.1
271.26321	22.7
493.40854	4.3
510.42520	2.3
510.48972	5.0
520.18500	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.3579
Annotation	PC(16:0/O-1:0)
Peak:m/z	Relative Intensity
55.05499	1.0
56.05035	1.3
57.03436	1.2
57.07079	9.2
58.06602	1.1
59.07407	0.3
60.08166	17.6
60.44075	0.3
61.02922	0.7
67.05507	2.1
69.07065	1.3
69.40228	2.2
71.07380	7.4
71.08635	7.3
75.04476	0.3
79.50363	0.3
81.07050	2.8
83.08624	2.4
85.02901	0.5
85.10188	4.0
86.09708	51.0
89.06057	0.3
93.07065	0.5
95.08608	4.3
97.02892	0.4
97.10158	1.5
98.98466	3.8
99.11740	0.4
104.10746	100.0
106.94849	0.3
109.10161	2.5
111.11662	0.4
120.79004	0.3
123.11716	0.9
125.00008	31.0
137.13254	0.3
139.77582	0.3
155.00981	0.3
163.01549	0.9
184.07346	99.1
239.23734	4.5
257.24841	0.7
258.10983	0.9
310.15936	0.3
313.27353	17.1
327.28836	1.6
329.80640	0.3
331.28403	3.2
338.27740	0.8
340.78979	0.3
492.34528	10.1
510.35556	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	510.3556
Annotation	LPE(20:0/0:0)
Peak:m/z	Relative Intensity
55.05498	3.5
57.03429	4.0
57.07079	37.2
57.66277	1.3
59.04998	7.8
62.06091	28.2
65.70765	1.4
67.05505	5.7
69.07078	4.5
69.27087	12.6
71.08632	31.5
73.02915	5.1
81.07054	5.8
83.08620	5.5
85.10181	21.7
87.04481	2.0
92.52308	1.6
95.08598	7.9
97.10187	3.0
98.98465	5.2
99.11758	1.8
109.10133	5.7
117.09138	3.0
141.16431	1.5
146.14441	1.5
146.80576	1.3
155.01038	6.9
198.05313	2.8
199.20528	2.9
216.06354	4.6
257.24777	3.3
304.28366	1.4
338.34103	15.1
364.31824	1.8
369.33643	100.0
377.79645	1.6
449.30310	7.3
492.34592	4.2
510.35825	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.1797
Annotation	Unknow
Peak:m/z	Relative Intensity
50.28489	1.6
53.03935	3.9
55.01865	4.2
57.03423	2.1
57.09675	1.6
60.33736	1.5
61.57452	1.7
65.03942	3.0
69.39499	12.6
71.60155	1.6
78.04711	3.6
79.05472	4.9
81.03374	3.5
81.07037	1.8
81.80441	1.5
84.66851	1.6
85.02892	7.2
87.04470	1.7
91.05486	38.1
93.03419	8.3
93.07029	5.1
95.04955	3.4
97.02881	4.8
97.06519	1.6
98.97592	2.8
103.05458	8.2
105.03394	5.6
105.07043	6.3
106.04182	17.5
107.04950	7.8
107.08610	1.8
109.06514	8.4
117.03360	2.4
117.07059	2.1
119.04945	38.6
121.06516	27.4
123.04406	2.9
123.08112	2.9
124.50031	1.6
125.05962	6.4
127.03921	1.7
129.06984	3.5
131.04910	11.7
132.05676	6.8
133.06471	5.3
134.03613	5.9
135.04454	2.1
135.07962	1.8
136.05261	1.7
137.05969	8.3
139.07443	1.5
140.86505	2.0
144.26007	1.6
145.02869	2.9
145.06468	2.3
145.10045	1.8
147.04404	16.9
147.08020	3.9
148.05142	3.5
149.05977	32.7
151.04005	2.1
151.07550	23.8
153.09102	9.9
159.08095	3.6
160.05272	2.8
161.05980	29.1
161.09557	2.0
162.06798	8.7
163.03967	4.3
163.07491	3.8
163.11203	2.5
165.05463	4.6
166.06126	1.6
167.07050	46.9
175.07549	11.8
177.05478	23.8
179.07080	16.1
180.07793	7.0
181.08614	17.7
182.09454	2.5
187.07559	13.9
190.06288	2.9
191.07071	15.2
192.07877	8.5
193.08626	2.4
205.08614	47.7
209.08095	100.0
217.08662	3.9
219.01790	2.0
223.04286	8.5
230.05083	1.7
235.09645	14.6
281.11896	1.7
309.11133	2.2
339.12088	4.2
341.13956	4.0
348.14700	1.8
359.15054	2.3
371.14850	6.8
510.24579	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.1799
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02379	0.6
53.03935	1.9
55.01857	2.0
55.86049	0.5
56.96571	0.5
57.03458	0.6
58.41827	0.5
60.04506	0.7
61.02913	0.9
65.03931	3.1
66.28764	0.6
67.05476	1.5
69.03403	1.5
70.01484	0.6
70.06594	0.9
71.04999	0.9
71.17235	0.8
71.17567	0.8
75.04481	4.0
77.59663	0.5
78.04698	1.8
79.05478	2.3
79.70510	0.5
81.03414	1.0
81.07050	1.2
85.02917	5.2
89.03896	0.8
89.06002	0.9
91.05482	10.9
93.02914	0.7
93.03422	9.3
93.07054	5.1
95.04987	3.9
97.02885	2.6
97.06530	2.1
98.97538	0.6
103.05460	4.5
105.03362	0.8
105.04527	1.5
105.07017	2.1
106.04178	24.4
107.04940	1.7
107.08587	1.0
109.02831	1.0
109.06499	0.7
109.10185	0.9
111.04456	0.8
117.03370	1.1
119.04934	3.6
121.02853	2.4
121.06509	25.2
122.02364	1.2
122.07281	0.7
123.04459	4.1
123.08048	0.7
124.05175	0.8
125.05995	7.4
127.03906	1.4
129.07021	0.8
129.66939	0.7
131.04858	0.8
131.96692	0.7
133.02859	0.9
133.06517	0.6
134.03625	2.9
135.04439	1.1
135.11743	0.6
137.05975	6.5
138.06766	1.4
138.81972	0.5
139.07532	2.2
145.02798	1.5
145.06482	0.7
147.04396	3.8
148.05183	2.5
148.23415	0.6
149.05991	39.4
151.07529	2.6
153.05522	1.4
153.09116	10.1
163.03908	1.7
163.07617	1.3
165.05386	0.6
166.06256	1.7
167.06978	1.3
177.05473	23.2
179.07059	1.5
181.08604	18.2
191.06995	1.8
193.03212	6.2
194.02502	0.6
209.08095	100.0
210.08456	0.9
245.08119	1.7
275.87564	0.6
282.08069	0.9
298.18741	1.0
330.26453	1.2
339.12198	1.3
369.14484	0.7
412.94489	0.6
492.15805	0.8
510.27283	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.1611
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	3.1
53.49528	0.5
55.01866	3.4
57.03423	2.0
61.02920	2.8
65.03926	2.1
67.05518	0.9
68.99802	1.0
69.03427	9.2
69.07063	0.8
69.30322	5.4
71.04990	2.3
73.02922	3.5
81.03419	9.0
81.07063	1.0
81.83116	0.6
85.02385	0.6
85.02905	23.0
87.00829	11.1
91.05482	100.0
93.07001	0.8
95.08622	1.0
97.02895	27.0
97.03528	1.5
97.06512	0.8
99.04436	5.1
103.24235	0.6
105.01870	9.1
105.07064	0.9
109.02877	9.7
117.01852	1.5
127.03924	24.0
129.01868	1.7
145.04961	16.6
147.02916	0.9
147.04329	0.7
151.03952	1.2
159.02914	7.2
163.03873	1.7
165.09090	1.3
167.03442	1.4
213.03976	0.6
221.11786	0.9
231.04991	3.6
245.08122	2.3
247.37779	0.6
247.79375	0.7
308.89398	0.7
473.97366	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.161
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03301	0.9
53.03938	2.6
54.21329	0.8
55.01862	2.4
55.05499	0.8
55.98176	0.8
56.13702	0.9
57.03439	1.8
61.02906	2.2
65.03932	3.3
67.05499	1.8
68.99788	1.7
69.03431	8.2
69.07063	1.7
69.91254	0.8
71.04985	2.0
71.38725	1.2
73.02910	3.1
76.04798	0.9
79.05467	1.6
81.03413	8.9
81.07041	2.3
83.08592	1.1
85.02910	18.7
87.00827	9.4
91.05484	100.0
93.07047	1.5
95.08595	1.7
97.02893	16.7
97.10218	1.2
99.04482	4.6
105.01857	6.9
105.07034	1.1
107.05008	0.8
109.02882	7.3
109.10130	0.9
111.04379	0.8
117.01862	1.8
119.08512	0.9
123.04483	1.2
127.03920	14.0
129.01869	2.0
133.06429	1.0
133.10117	1.0
144.54034	0.9
145.04951	9.6
149.02339	3.0
159.02863	4.6
163.03906	0.9
165.09102	4.2
167.03366	3.0
175.03879	0.9
179.03412	3.5
191.03404	3.1
203.03247	1.2
215.03461	0.9
221.04520	1.6
231.04892	1.0
233.04401	2.5
244.03725	1.2
245.04475	4.2
245.08156	1.8
251.06998	2.6
257.04541	1.1
257.08035	1.3
263.05344	1.1
269.08084	12.4
287.09119	1.9
293.08154	5.2
311.09189	5.2
317.07953	1.7
335.09137	14.1
349.05478	1.1
353.10080	8.5
421.09085	1.6
439.10287	6.5
457.11191	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	510.1611
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00290	0.2
56.59501	0.2
65.03936	0.2
67.05499	0.4
69.03409	0.6
70.06594	0.2
70.23391	0.6
72.08138	0.2
79.05495	0.2
81.03413	1.4
81.07053	0.5
83.05006	0.2
84.04514	0.3
85.02897	0.5
85.06551	0.2
87.00823	0.2
91.05461	0.4
93.07053	0.2
94.02928	0.5
94.04182	0.2
95.04977	0.4
95.08620	1.1
96.04503	0.3
97.02892	0.4
97.06528	0.2
100.16006	0.2
105.07056	0.4
109.02884	10.7
109.06483	0.2
109.10201	0.3
110.03703	0.3
110.38299	0.2
111.04449	0.4
112.03970	100.0
113.04337	0.3
121.03988	0.2
121.10140	0.2
123.04428	3.1
123.08073	0.7
127.03901	0.6
151.04021	0.2
151.07547	7.0
152.07080	3.2
163.03931	0.3
177.73639	0.2
245.17557	0.3
262.10751	22.5
263.11087	0.2
274.09308	0.4
316.10455	0.4
324.93301	0.2
360.09232	4.9
424.15988	0.6
466.16931	1.2
510.16168	10.3
533.01605	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.1609
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.3
55.01865	1.4
55.05505	1.5
57.03429	1.2
61.02918	1.6
65.03938	2.8
67.05519	1.9
68.05814	0.5
69.03432	4.8
69.07073	0.8
71.04981	1.0
73.02919	1.5
79.05502	2.1
81.03422	6.2
81.07050	2.3
83.04967	0.7
83.08613	1.1
85.02907	13.6
87.00843	4.8
91.05484	100.0
91.45144	0.4
92.05824	0.6
93.07048	1.4
95.04993	1.1
95.08604	1.2
97.02896	10.1
97.06571	0.4
98.21561	0.6
99.04460	2.4
100.11272	3.3
105.01871	5.2
105.07046	1.4
107.08599	1.4
109.02884	5.5
109.10169	0.8
111.04453	1.1
117.07018	1.1
119.08584	0.9
121.06493	0.4
125.09708	0.5
127.03928	11.1
129.07027	0.7
131.08611	0.6
135.11752	0.4
139.03928	1.0
139.43857	0.4
143.08566	0.6
145.04968	7.7
145.06276	0.4
145.06511	0.4
145.10133	0.5
147.02943	0.7
149.09624	0.4
155.08591	0.5
158.67870	0.4
159.02885	3.3
159.07901	0.4
163.11244	0.7
167.03403	3.3
171.08058	0.5
182.15359	1.9
184.16982	0.6
195.06604	0.7
204.08971	0.4
209.72542	0.4
210.14990	0.8
213.04015	0.9
215.43686	0.4
217.08640	0.7
227.07123	1.1
227.12854	0.8
231.04961	2.5
245.08109	2.7
268.16241	0.4
309.21695	0.7
509.40656	2.6
510.28174	1.5
510.41077	1.1
527.46008	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.3687
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	6.7
55.01871	11.6
55.05515	52.7
56.96571	2.3
57.03447	11.6
57.07074	6.8
61.02940	3.5
63.83490	1.9
65.03960	4.3
67.05505	75.1
69.03441	12.4
69.07072	44.0
70.06577	2.3
71.01347	5.8
71.04988	8.9
71.08617	3.2
71.52639	3.5
73.02927	3.1
79.05493	56.9
81.03425	48.6
81.07056	100.0
83.04990	17.4
83.08167	2.6
83.08622	35.9
85.02914	21.9
85.06537	5.0
91.03944	2.6
91.05483	53.0
93.07045	53.0
95.04972	34.5
95.08608	75.6
96.38860	2.5
97.02917	16.2
97.06528	7.6
97.10175	32.1
99.04462	3.3
99.08091	5.7
103.05463	3.2
105.03411	2.6
105.04547	2.6
105.07034	37.5
107.04945	23.9
107.08595	43.0
109.02838	5.3
109.06529	16.2
109.09475	3.9
109.10162	53.2
111.04450	9.0
111.08104	10.9
111.11716	11.3
113.06027	2.6
113.09591	2.7
115.04011	2.9
115.05451	3.5
117.07023	10.9
119.04913	2.9
119.08597	22.5
121.02875	3.4
121.06524	15.8
121.10157	25.1
123.04424	10.6
123.08064	8.2
123.11696	28.8
125.09628	12.0
125.13250	6.8
127.03903	3.6
128.06329	3.1
129.06984	10.4
130.00513	2.1
131.04893	4.4
131.08559	20.2
133.06479	4.0
133.10135	25.9
135.04472	2.9
135.08049	14.9
135.11728	14.8
137.05957	4.8
137.09624	2.7
137.13268	18.2
139.03880	5.4
139.14815	2.9
141.06927	2.5
141.11674	2.5
143.08569	8.1
145.06477	8.0
145.10138	20.2
147.08035	5.5
147.11681	9.8
149.06006	3.1
149.09633	9.4
149.13263	13.2
151.03804	3.6
151.11197	8.6
151.14851	7.7
151.48221	2.3
152.07104	2.3
153.09158	3.1
153.12750	2.6
155.08514	2.8
155.14334	4.7
157.10147	9.5
159.08063	5.8
159.11749	5.6
161.06123	2.3
161.09602	8.5
161.13188	3.7
163.03894	4.0
163.11224	13.5
165.09030	3.9
165.16429	4.9
167.10701	4.0
167.14317	9.8
169.10168	2.8
171.04408	2.7
171.08142	2.6
171.11653	4.4
173.09625	5.8
175.11200	11.2
179.10643	2.3
181.12202	4.9
183.26886	2.4
185.09668	2.2
187.11070	2.9
189.09007	2.8
189.11206	6.2
189.12746	3.6
191.10698	4.7
193.12257	24.2
193.19586	3.3
195.11751	3.1
197.09567	2.8
205.12198	3.2
209.11713	12.0
211.13268	23.0
215.10687	4.4
217.12378	3.0
219.13815	7.3
223.13251	4.6
225.11163	4.9
227.12724	20.3
233.11711	4.3
233.15408	4.3
247.13251	2.7
267.15915	8.7
273.14474	2.8
273.17090	3.0
275.27423	3.9
283.15488	7.1
289.05203	7.8
293.17480	5.3
293.28360	25.5
299.14810	4.8
311.29379	4.0
313.09924	2.5
338.19073	2.3
349.21762	4.4
367.22696	12.8
371.22070	2.8
385.23587	11.0
399.21173	2.9
403.24792	3.9
441.26208	3.8
447.23456	6.5
459.27521	15.4
476.92966	2.8
477.28223	9.9
491.21127	2.9
491.26990	8.2
509.28461	62.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.3112
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	15.5
54.51863	4.9
55.01869	15.8
55.05518	66.9
57.03424	16.4
61.73816	5.1
62.69189	6.0
67.05505	66.0
69.03417	8.6
69.07063	20.7
71.04990	15.7
77.68431	5.3
79.05499	78.8
81.03429	31.0
81.07065	77.0
83.04971	16.7
83.08632	29.1
85.02925	7.7
85.06539	6.8
91.05489	64.0
93.07054	79.8
95.04977	64.9
95.08606	35.0
97.02870	13.5
97.06543	16.0
97.10168	48.2
98.20776	10.4
105.07038	33.0
107.04955	48.1
107.08592	45.6
109.06533	50.9
109.10155	22.6
111.04443	7.9
111.08055	9.3
117.07037	30.6
119.08592	32.1
121.06507	34.0
121.10171	34.0
123.08066	6.3
123.11720	7.7
125.09643	41.1
127.03911	7.6
129.07014	11.5
131.08534	30.1
133.06534	8.3
133.10168	11.6
135.08052	23.2
135.11739	17.1
141.06976	6.5
142.07726	4.7
143.08629	9.0
145.06471	26.0
145.10098	15.2
147.08046	9.4
149.09639	11.9
157.10146	8.5
159.08105	6.7
159.11676	9.2
163.11186	20.6
167.10735	13.3
169.10156	6.1
171.08058	8.9
173.13245	9.5
175.11198	6.9
183.02899	5.4
189.11238	13.5
191.14328	9.9
193.12257	11.9
197.13274	6.7
199.13362	15.4
215.10593	6.1
219.13774	32.0
223.13252	13.1
227.12675	25.3
233.15329	15.4
237.12740	8.4
237.14973	9.2
267.15970	8.5
273.14529	9.4
273.17044	23.7
293.17404	21.2
348.33270	5.5
349.21802	29.4
357.24268	6.4
367.22748	89.8
385.23776	71.0
403.24918	28.1
417.26672	8.4
441.26584	19.4
459.27502	100.0
477.28479	49.8
491.30023	39.2
509.26840	11.2
509.31860	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	509.2747
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26483	3.4
53.03940	15.6
55.01868	24.3
55.05509	77.5
56.96564	7.8
57.03425	24.4
58.70642	4.0
59.05354	3.8
61.02921	10.7
65.84988	3.9
67.05504	100.0
69.03419	21.4
69.03763	4.6
69.07066	24.9
69.41139	3.7
70.48754	8.1
70.49160	7.8
71.01330	8.7
71.04989	17.8
73.02913	7.7
76.60160	3.8
79.05496	86.3
81.03415	51.9
81.07060	81.0
83.04966	21.6
83.08620	50.7
85.02908	19.2
85.06538	9.5
86.94827	3.6
91.03962	4.4
91.05485	63.4
93.07043	73.0
95.04969	62.2
95.08594	44.5
97.02896	29.5
97.06520	12.7
97.10177	87.4
99.04507	5.5
99.08095	5.2
105.07026	45.2
107.04954	42.6
107.08599	69.7
109.06522	46.8
109.10149	36.5
111.04434	14.7
111.08096	12.5
115.05444	7.8
117.07031	22.9
118.07988	4.3
119.04945	5.0
119.08596	39.5
121.06504	40.4
121.10157	39.7
123.04398	7.8
123.08085	10.0
123.11765	6.5
125.09642	75.4
127.03853	4.8
129.06992	16.8
131.04951	5.7
131.08594	33.7
133.06468	7.0
133.10127	29.4
135.08073	25.7
135.11681	19.0
137.06021	6.3
137.09641	8.9
139.03911	32.9
139.07539	7.0
139.11205	4.9
141.06989	7.3
143.08548	12.1
145.06496	17.5
145.10109	27.6
147.08051	12.8
147.11682	18.1
147.58438	4.5
149.05861	5.1
149.09601	11.9
151.03906	6.2
151.11200	4.0
153.09129	7.2
153.12776	8.4
155.08563	5.5
157.10085	12.1
159.08066	11.2
159.11722	12.1
161.05971	5.4
161.09648	9.9
163.03949	9.3
163.11171	32.4
165.09073	5.9
167.10664	11.0
171.10199	9.6
171.11572	4.4
173.09641	5.6
173.13203	6.8
175.11206	13.1
181.12291	4.8
187.11205	8.7
187.14821	4.6
189.09499	7.6
189.11218	57.9
189.12772	7.0
191.10669	7.7
191.14323	9.7
193.12231	23.2
197.09570	3.9
199.13335	7.5
203.10655	5.2
205.12325	6.7
209.11725	18.7
211.13283	12.4
215.14380	5.5
219.13815	70.2
223.13338	7.5
225.11121	5.3
225.67621	4.0
227.12770	53.6
233.15413	10.8
245.13744	5.0
249.14857	6.0
267.09039	11.0
267.15964	15.5
273.17114	8.2
283.15341	21.5
285.10114	11.4
287.03760	10.2
289.05231	19.2
293.17468	17.7
299.14792	6.6
329.10580	5.2
349.21591	12.0
367.22769	33.7
371.22293	6.6
375.11108	11.7
379.12167	15.3
385.23718	37.3
389.23038	12.5
399.21738	11.2
403.24619	13.0
407.24423	9.2
415.16870	9.1
419.13629	16.6
429.21085	7.3
437.24994	5.4
441.26315	11.8
445.25906	19.5
459.27359	51.3
463.26782	13.9
465.24338	5.6
473.25177	12.0
477.28531	33.5
484.17853	5.3
491.26151	50.9
509.28482	41.4
539.16162	9.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.2386
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.9
54.35642	0.6
55.05502	0.6
57.03425	0.7
61.02919	0.8
63.98255	0.6
65.03925	1.2
67.05495	2.2
69.03425	3.8
69.07080	0.7
69.36974	4.3
73.56947	0.5
79.05512	2.6
81.03435	3.8
81.07056	2.9
85.02438	1.0
85.02911	12.7
91.05486	7.0
93.07049	4.9
94.46515	0.6
95.04958	2.4
95.08612	1.5
97.02911	3.5
97.06520	1.1
98.97577	0.6
99.04472	0.6
104.54211	0.6
105.01872	0.5
105.07027	9.3
106.02911	2.4
107.04980	1.2
107.08599	3.5
109.02864	1.7
109.06514	1.0
109.10178	1.1
115.05497	0.7
117.07008	3.2
119.04927	2.0
119.08586	4.2
121.02871	1.0
121.06490	1.8
121.10085	1.0
123.04424	4.7
127.03926	2.5
129.07019	2.0
131.04889	0.9
131.08582	5.5
133.06503	2.2
133.10149	1.6
135.04453	1.1
135.08057	1.4
137.05972	6.8
141.06963	0.7
143.08524	4.1
145.04977	1.7
145.06494	2.0
145.10117	4.7
147.04410	100.0
147.08081	1.7
147.11684	1.3
149.05951	2.1
151.07524	1.2
155.08627	1.3
157.06577	1.0
157.10164	1.9
159.08031	2.0
159.11682	1.2
161.05988	13.9
161.09668	0.8
163.03896	1.4
163.11151	0.6
165.07082	0.6
167.07098	0.6
167.08626	1.3
169.06485	0.9
169.10085	1.0
171.04485	0.7
171.08069	2.1
171.11777	0.8
173.06009	2.8
173.09644	0.8
175.07515	0.9
181.06532	0.6
181.10115	1.9
183.08072	1.9
183.11697	0.6
185.05949	1.9
185.09621	2.3
187.07500	3.5
189.09097	1.3
194.10736	0.5
195.08064	2.4
195.11751	0.9
197.05984	2.0
197.09627	1.3
199.07509	4.0
201.09117	2.2
205.10126	1.2
207.11702	0.8
209.09653	1.7
211.07545	2.5
211.11218	1.6
213.09097	15.4
215.10736	0.6
219.08147	0.8
219.11687	1.5
220.08711	0.7
221.09624	0.7
222.10477	1.0
223.07570	0.8
223.11142	1.9
225.09169	1.3
225.12758	1.0
233.09575	1.9
235.11223	2.0
237.09026	3.1
237.12688	5.8
239.10664	1.3
241.12224	0.9
247.11288	1.1
247.14867	0.6
249.12788	1.4
251.10701	1.9
251.14377	2.9
253.12219	1.9
255.13837	2.5
257.04379	1.6
265.12231	2.6
265.15836	1.5
267.13681	0.9
273.03961	2.8
275.14240	2.1
283.16861	0.8
285.04266	1.0
285.07614	0.7
289.28891	0.6
293.15366	21.9
303.05023	3.8
311.16391	24.4
327.04974	2.0
329.17474	76.8
347.18527	61.1
351.04984	1.0
369.06158	3.6
425.75278	0.6
509.16330	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.2386
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	2.8
55.01874	3.6
56.96566	2.2
57.03442	5.6
58.85518	1.3
59.05008	3.6
59.59237	1.9
60.19021	1.6
60.55791	1.9
61.02933	5.5
61.99388	1.4
67.05514	3.8
69.03432	20.0
69.07080	2.6
69.36482	13.0
70.03411	1.4
70.06596	2.3
71.04980	2.9
72.08170	3.0
73.02943	2.8
78.89476	1.4
79.05516	5.9
79.85014	1.7
80.51376	1.5
81.03423	10.3
81.07085	4.2
82.57590	1.5
82.89288	1.6
83.85210	1.6
85.02910	40.5
85.60945	1.3
86.09728	7.2
86.73892	1.4
87.04485	5.4
89.03937	3.2
91.03970	2.7
91.05466	8.4
93.07069	4.9
95.04991	5.1
95.08628	3.6
97.02910	16.3
97.06532	4.0
99.04476	4.0
103.03954	2.4
105.07031	9.4
107.04952	2.9
107.08619	5.3
109.02871	7.5
109.06535	2.9
111.08107	2.0
117.07038	3.5
119.04960	2.5
119.08578	7.9
120.08166	3.5
121.06552	4.5
121.10174	6.2
123.04482	6.1
123.08100	1.6
125.02796	2.0
127.03958	10.0
129.07014	2.2
130.72063	1.5
131.04955	2.9
131.08614	7.0
133.06567	2.0
133.10164	4.1
135.04440	6.3
135.08067	3.4
135.11771	2.8
136.07622	3.9
137.06006	4.7
143.08591	2.4
145.02890	3.7
145.04988	6.1
145.06532	4.8
145.10170	5.2
147.04431	28.4
147.08096	4.1
149.05983	10.5
149.09641	2.6
151.03926	2.1
151.07576	2.9
155.08615	3.7
157.10129	3.6
159.08087	3.0
159.11723	2.2
161.05972	19.0
161.07072	1.7
161.09677	2.8
163.03934	22.5
164.04227	1.9
165.08940	1.8
167.07133	1.9
167.08548	2.4
169.10144	1.7
171.08046	3.3
173.05981	3.7
175.07553	2.6
179.08557	1.8
181.04938	2.0
181.10167	3.5
181.54106	1.6
183.08168	1.9
183.11795	4.6
185.09711	2.6
185.13345	2.5
187.07613	6.0
187.11237	2.2
189.09093	3.4
197.09637	3.1
199.07553	2.8
209.09668	3.5
209.13416	1.6
211.07637	2.6
211.11349	3.1
213.09160	5.7
213.96870	1.6
221.13116	2.2
223.11240	3.7
223.15010	2.0
225.12799	2.8
227.10678	2.0
227.14386	2.1
235.11186	2.1
237.12646	3.6
239.10681	1.7
241.16039	3.2
245.18690	2.2
247.14766	1.7
249.12686	2.2
251.10851	1.8
251.14345	4.5
253.12314	6.4
257.04617	2.6
265.12115	4.6
265.15997	4.0
267.13782	11.3
269.15289	11.4
273.03970	7.5
274.04712	3.0
275.14349	3.1
281.15552	1.7
283.16998	5.2
285.03854	8.8
293.15353	20.9
299.05643	2.0
303.05014	23.9
311.16425	68.7
327.05090	6.0
329.17487	90.4
330.17499	1.9
347.18542	100.0
351.05005	2.1
369.05969	3.2
491.15390	5.1
509.16141	5.0
509.23465	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	508.3487
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05517	27.3
56.01115	2.0
57.03426	6.8
57.07081	10.8
59.38495	2.0
61.02922	5.7
63.20381	2.1
66.64693	2.0
67.05507	39.1
67.35323	2.1
67.50191	2.1
68.22953	2.0
69.07071	47.6
71.04988	3.8
71.08633	3.9
79.05497	21.5
81.07061	47.6
83.08624	37.7
85.02925	5.6
85.06527	4.4
85.10183	2.8
91.05489	2.9
93.07051	29.7
95.08614	44.3
97.02888	4.3
97.06538	9.2
97.10174	24.9
99.08091	2.7
104.10747	7.6
105.06965	3.0
107.08606	22.3
109.10149	17.1
111.08104	5.5
111.11720	6.0
121.10148	47.9
123.11726	14.6
135.11697	31.4
137.09555	2.1
137.13257	9.7
139.11182	4.2
149.13268	14.8
163.14862	7.0
177.16414	2.9
184.07376	8.3
209.63454	2.1
219.21111	45.4
219.23097	4.4
234.18518	2.0
237.22141	100.0
255.23149	19.4
311.25815	78.8
329.26886	42.5
347.16949	2.1
479.10324	2.3
508.34415	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	508.2389
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02371	0.2
53.03939	0.8
55.01876	0.1
56.48254	0.1
56.96542	0.2
61.33505	0.1
69.03416	0.3
69.33646	0.3
69.34056	0.6
71.24112	0.1
77.03931	0.3
81.03398	0.1
81.88519	0.1
85.02911	0.4
89.03922	0.4
91.05480	3.3
92.49436	0.1
93.07041	5.1
95.04981	0.7
97.02909	0.2
98.21558	0.3
98.97579	0.1
103.05466	3.2
105.04504	0.4
107.05006	0.3
114.89488	0.1
115.03922	0.3
117.03402	0.3
119.04980	0.2
121.06506	100.0
122.06825	0.2
127.03883	0.1
130.05017	0.1
130.95041	0.1
133.05003	0.3
135.02924	0.1
135.04431	0.6
136.06219	0.2
138.09140	34.1
139.09474	0.1
145.02831	0.4
145.04967	0.1
146.96478	0.1
152.05667	2.2
153.04076	0.2
154.08649	0.2
163.03914	3.1
164.04259	0.5
193.01686	0.1
202.00948	0.1
215.07732	0.1
219.02020	0.1
221.03038	0.4
237.00571	0.1
241.38934	0.1
244.02216	0.3
255.01822	0.3
256.02167	0.3
262.03339	0.2
272.82385	0.1
289.98987	0.1
346.05225	0.2
410.10083	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	508.2337
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	0.7
55.05511	0.7
57.07060	0.4
65.03931	0.5
67.05505	1.3
68.99792	0.8
69.03423	0.5
69.07063	0.9
70.06572	0.5
71.04990	0.5
71.53164	0.5
79.05479	1.5
81.03414	0.8
81.07053	4.2
85.02908	0.9
87.08123	0.6
91.05488	1.3
93.07030	1.4
95.04974	1.3
95.08601	1.5
97.02888	4.3
105.03390	0.6
105.07048	0.6
105.61866	0.3
107.04944	0.7
107.08597	0.9
109.02885	2.0
109.10160	1.9
111.04467	0.4
113.10944	0.3
115.05460	0.4
116.31533	0.3
119.04933	1.9
119.08596	0.4
121.06502	2.3
121.10184	0.4
123.04435	13.1
123.05341	0.6
123.08086	0.7
124.04011	0.4
125.02367	0.7
127.03907	0.8
130.82820	0.3
131.08601	0.6
133.10165	0.6
135.04402	0.9
137.05966	0.7
138.09102	0.6
139.03903	1.6
145.10088	0.4
147.04424	8.2
149.05974	2.6
149.09616	0.8
151.03909	79.7
161.06007	0.5
162.57805	0.3
163.03880	2.5
163.11127	0.3
164.04359	0.3
165.05479	6.6
166.08615	0.3
167.10773	0.3
177.05461	4.3
177.09146	0.8
179.07045	0.3
181.04909	0.5
183.40544	0.3
191.10637	0.7
195.10262	0.7
201.09113	1.4
207.06555	0.7
207.10110	0.6
215.07008	0.5
217.08629	0.3
219.10170	100.0
220.06168	0.5
220.10544	0.5
231.10150	0.5
249.11275	0.4
290.39316	0.3
303.08698	3.1
353.13718	0.9
371.14899	11.2
508.24194	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	508.1817
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02369	0.2
52.71584	0.1
52.92499	0.1
56.03542	0.1
64.74322	0.1
65.03930	0.3
69.03426	0.6
69.07058	0.1
70.77914	0.4
78.03449	1.2
81.03444	0.3
81.07066	0.2
85.02895	0.4
91.04900	0.2
91.05480	5.9
97.02892	100.0
98.03236	0.3
106.02914	5.2
109.10141	0.2
123.04436	0.1
124.03955	6.0
127.03884	0.2
135.11716	0.1
151.03908	0.3
193.15854	0.2
196.06047	0.5
212.17438	0.1
219.10178	0.4
220.06049	24.9
238.07092	4.1
256.08179	1.6
298.09052	0.1
346.12814	1.2
351.05011	0.2
353.10147	0.1
364.10184	0.2
382.11362	0.6
400.12393	9.0
490.16708	0.2
508.18036	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	508.2335
Annotation	Unknow
Peak:m/z	Relative Intensity
52.99605	0.4
53.03967	0.5
55.01880	1.0
64.07628	0.5
67.05505	1.3
68.99783	0.9
69.03423	1.3
69.07062	0.7
69.36922	0.4
70.06575	0.7
71.04993	0.6
71.52171	0.6
72.08161	0.6
73.14880	0.4
79.05507	2.3
81.03415	0.7
81.07056	4.2
82.89648	0.4
83.05003	0.5
85.02900	1.2
85.06543	0.5
91.05463	2.7
93.07053	1.6
95.04981	1.0
95.08611	2.7
97.02895	2.2
103.05482	0.5
105.03356	0.7
105.07046	1.0
107.04944	0.8
107.08596	1.2
109.02885	2.0
109.06563	0.5
109.10149	2.0
112.03974	1.0
119.04991	2.2
121.06503	2.2
121.10175	0.7
123.04437	13.5
123.08051	1.3
123.11676	0.8
125.02395	0.7
127.03902	1.1
131.08528	0.7
133.10133	0.9
135.04417	1.8
135.11653	0.6
137.05978	1.1
138.09100	0.7
139.03897	2.0
145.10059	1.0
147.04422	7.9
149.05978	2.0
149.09631	0.7
151.03909	80.4
153.12770	0.6
153.41171	0.5
161.06023	0.7
163.03917	2.9
163.07529	0.5
165.05478	7.5
173.09573	0.5
177.05501	4.9
177.09123	0.9
181.04948	0.7
191.10658	0.8
201.09143	1.6
219.10170	100.0
220.10567	0.9
231.10228	0.7
275.81046	0.4
283.15482	4.3
298.40115	0.4
303.08545	3.2
353.13626	0.5
371.14865	12.1
406.49966	0.5
508.24506	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.1505
Annotation	Unknow
Peak:m/z	Relative Intensity
53.27290	0.7
55.05486	0.6
57.03405	1.2
57.07078	20.4
58.54215	0.6
67.05477	2.6
69.03414	1.8
69.40219	2.9
69.40631	1.7
73.02909	1.0
77.11369	0.7
79.05465	1.2
81.03388	1.4
81.07040	2.4
85.02901	3.5
85.06548	6.2
91.05445	1.2
91.64561	0.6
93.07021	1.3
95.08581	2.3
97.02843	0.9
97.06493	1.0
98.20736	0.8
103.03920	1.9
103.62249	0.6
105.06998	1.2
107.01318	0.9
107.08595	1.1
109.02847	1.6
109.10126	2.5
115.05472	0.8
116.77925	0.6
117.07060	0.7
119.08568	1.4
119.38985	0.6
121.10192	0.6
123.04399	1.2
123.08067	1.1
123.11681	0.7
127.03893	1.1
131.04872	0.9
137.09625	4.9
139.50500	0.7
145.10072	1.0
147.11693	0.8
153.01813	1.4
157.10089	0.8
159.11722	1.1
165.09120	35.2
167.03456	0.8
175.03850	0.8
187.03867	1.1
187.09654	1.4
189.05479	0.8
201.05507	1.5
203.03450	0.9
205.04900	0.9
211.03923	1.8
215.03404	2.1
217.04971	2.1
228.04155	2.3
229.04866	1.4
231.02885	1.9
233.04451	4.3
239.03369	1.9
243.03050	1.8
245.04568	4.3
246.05258	3.9
249.03943	1.6
253.04912	1.7
255.02870	0.8
256.03656	4.8
257.04480	7.8
257.07935	1.8
258.05234	1.1
259.08777	1.1
260.03198	3.2
261.03906	5.5
267.02884	1.4
269.04517	1.5
270.05219	0.8
271.05936	1.2
273.03943	62.7
274.04730	17.9
275.05554	1.0
281.04480	1.8
285.03943	39.2
287.05551	7.4
295.06107	2.9
297.03931	3.0
298.04794	2.0
299.05484	7.1
301.03604	3.1
303.04996	100.0
309.04028	0.7
313.03412	1.6
313.07074	6.3
315.05060	3.3
315.48544	0.7
317.06885	0.8
323.05615	3.8
325.03442	1.1
327.05002	32.2
333.06180	1.2
339.04990	1.0
341.06738	3.7
351.04965	12.8
357.06107	5.3
369.01279	1.0
369.06064	18.2
387.07056	17.1
405.08176	22.2
423.09244	1.5
453.11337	0.7
471.12976	5.0
489.13855	7.7
507.15009	43.0
523.85645	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	506.3841
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	22.0
57.07061	11.2
62.88723	6.6
67.05511	47.1
69.07065	22.3
70.57159	17.1
71.08659	6.7
79.05487	19.1
81.03424	13.4
81.07054	60.1
83.08611	8.1
91.05476	22.5
93.07050	34.3
95.04977	8.2
95.08602	68.4
97.10150	9.0
105.07045	47.6
107.08601	63.7
109.10159	100.0
111.08042	8.0
119.08589	52.0
121.10139	80.6
123.11706	15.3
131.08545	12.3
133.10123	72.2
135.11687	26.8
136.12062	5.3
139.07536	8.3
145.10092	15.9
147.11717	46.5
149.13243	15.8
159.11674	6.7
161.09708	9.7
161.13248	73.9
173.13171	6.2
175.14830	13.7
177.16452	8.8
179.10692	9.6
181.12186	6.9
184.07245	6.1
184.19626	5.4
185.13274	7.8
187.14879	12.5
189.16357	20.6
191.17979	7.5
193.12289	7.6
195.00330	6.9
201.16400	15.9
203.14642	6.7
203.17964	83.6
205.19521	19.4
207.13765	14.5
209.15363	6.7
215.17984	9.2
217.19484	32.2
221.15366	13.6
231.21306	6.5
411.32867	14.2
425.34204	28.6
435.32388	6.7
453.33554	20.2
471.34601	54.0
505.83450	16.3
506.39563	13.8
524.05634	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	506.3842
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44299	3.4
55.01813	4.3
55.05495	9.7
57.07056	12.3
58.95071	3.5
60.58080	3.3
66.75403	3.3
67.05506	37.3
69.07040	13.8
69.26897	33.3
71.08634	6.8
72.01776	3.7
73.25853	3.8
79.05486	17.6
81.03403	12.9
81.06664	4.6
81.07068	46.6
83.08604	11.1
91.05489	18.2
93.07049	31.2
95.04942	4.4
95.08609	54.5
97.10190	5.6
98.21511	8.6
105.07034	26.9
107.08595	54.7
109.10160	100.0
119.08596	37.0
121.10155	53.9
123.08065	4.9
123.11681	12.0
131.08592	9.1
133.10106	38.9
135.11702	15.2
137.13284	5.1
145.10098	11.3
147.11714	28.1
149.13242	16.0
157.10161	4.3
159.11719	15.3
161.13266	28.6
163.14836	7.5
171.11676	5.2
173.13185	5.4
175.14813	10.0
177.16490	6.2
179.10626	7.8
184.94383	3.6
185.13176	4.8
187.14893	5.0
189.16434	17.9
191.17981	6.1
193.12202	7.1
195.00275	8.9
199.14848	6.5
201.16356	14.5
203.17989	55.3
205.19514	5.8
207.13800	6.5
215.17900	9.0
217.19505	19.9
221.15408	8.8
245.22684	5.1
291.19800	3.7
297.04190	3.9
303.23135	4.5
317.24823	8.4
324.67310	3.7
345.24188	10.2
351.45926	3.8
407.33304	5.2
411.32449	5.8
425.34204	23.8
435.32697	5.6
453.33636	31.8
471.34756	31.7
506.40405	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	505.3888
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	3.1
55.01877	2.0
55.05507	8.6
57.03445	1.6
57.07075	27.3
65.03941	1.6
67.05504	16.3
69.07072	8.8
69.87601	4.4
71.04980	1.4
71.08633	20.9
79.05138	0.9
79.05500	9.3
81.03418	61.5
81.07055	19.3
83.04981	2.0
83.08622	20.2
85.10181	11.5
91.05476	13.4
92.42191	0.8
93.07036	5.4
94.73624	1.0
95.04968	15.4
95.08607	18.0
97.02875	1.2
97.06532	1.4
97.10157	6.1
99.11723	1.2
101.25243	0.9
101.52395	1.0
105.07030	9.8
107.04958	3.5
107.08586	2.9
109.06495	2.0
109.10164	9.2
111.08066	4.9
111.11761	1.8
115.05424	1.2
117.07031	1.5
119.08596	6.8
121.06524	2.3
121.10140	3.5
123.11697	3.7
129.07004	7.1
131.08588	4.9
133.06514	2.2
133.10153	3.1
137.13278	2.2
142.07755	1.2
147.08044	2.0
147.11723	4.9
149.09671	3.3
157.10152	5.2
165.12750	1.4
165.16422	1.4
175.11195	6.4
193.12241	22.4
231.14026	1.3
237.22067	1.2
239.23656	6.5
249.14893	6.4
334.74335	0.9
505.38885	100.0
508.52423	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	506.1964
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22486	0.6
53.03944	1.2
55.01873	0.7
55.05506	1.9
55.70068	0.8
57.07079	4.0
67.05516	3.1
69.07076	1.1
70.09216	2.2
71.08627	2.5
78.03455	1.7
79.05495	2.1
81.03420	7.3
81.07053	2.3
82.03744	0.9
83.04998	0.7
83.08620	2.7
83.82604	0.6
85.10182	1.6
87.31783	0.6
91.05508	4.1
93.07061	1.3
95.04971	2.5
95.08608	2.4
96.04495	100.0
97.10216	1.1
98.21452	0.8
103.05491	0.9
105.07029	5.4
107.04946	2.0
107.08613	0.9
109.10154	1.5
115.05458	2.1
117.07020	14.3
118.07816	14.2
119.08583	1.3
128.06262	0.8
129.07021	2.8
133.06528	3.3
136.07628	2.4
138.33708	0.6
143.51379	0.6
145.06479	0.9
146.31877	0.6
147.11685	0.7
153.07018	1.8
155.04898	0.7
155.08578	4.7
165.07033	1.6
169.06522	1.0
170.07323	1.2
173.05992	1.1
178.07819	1.0
181.06549	2.0
182.07309	2.0
183.08055	36.7
185.05986	4.7
193.10542	0.6
193.12273	2.7
194.12584	0.7
197.63327	0.7
201.05492	6.9
211.11186	73.4
225.08931	0.7
239.23817	0.8
276.07837	13.3
277.08545	0.8
289.08530	3.0
303.10236	1.6
318.12531	1.7
369.11316	3.1
376.94745	0.7
411.16101	0.8
505.38815	5.4
506.19901	3.7
506.39456	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	505.3887
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93787	0.4
53.03943	2.6
54.49327	0.4
55.01889	1.0
55.05513	8.2
57.03434	1.2
57.07079	28.9
65.03954	0.7
67.05510	18.4
69.03419	1.1
69.07071	8.3
71.04983	0.8
71.08632	21.0
79.05495	10.6
81.03421	64.7
81.07058	20.5
82.03757	0.6
83.04996	2.2
83.05407	0.4
83.08621	21.0
85.06570	1.0
85.10191	10.5
85.10720	0.4
88.07648	0.5
91.04906	0.7
91.05486	14.1
93.07048	6.6
95.04971	16.4
95.08607	19.8
97.02897	1.6
97.06563	0.8
97.10174	6.0
99.11755	0.9
105.04515	0.5
105.07034	9.1
107.04954	3.7
107.08613	2.4
109.06519	1.5
109.10159	10.6
111.04479	0.5
111.08096	5.3
111.11694	1.3
115.05449	1.2
117.07024	1.4
119.04941	0.5
119.08580	7.9
121.06525	2.7
121.10144	3.7
123.04445	0.8
123.08098	1.1
123.11692	4.0
125.13308	1.1
128.06253	0.5
129.07007	6.7
131.08589	5.9
133.06520	1.6
133.10164	2.2
135.11696	0.5
137.09642	1.5
137.13261	1.5
142.07809	1.8
145.10107	1.1
147.08092	2.0
147.11682	3.8
149.09627	3.9
151.14853	1.0
157.10144	6.7
165.09117	0.6
165.12755	1.1
175.11212	6.7
192.16794	0.4
193.12251	43.4
195.75198	0.4
205.12265	1.2
213.12862	0.5
231.13835	1.0
239.23711	7.5
249.14861	6.4
252.37204	0.4
283.86108	0.4
371.41605	0.5
459.43341	0.4
472.83200	0.4
505.38950	100.0
506.39636	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.3887
Annotation	Unknow
Peak:m/z	Relative Intensity
52.85043	0.4
53.03942	3.1
55.01863	1.7
55.05264	0.7
55.05515	9.3
57.03440	0.9
57.07079	33.5
59.05012	0.5
65.03926	1.1
67.05509	22.6
69.03429	1.6
69.06728	0.8
69.07071	8.5
70.65186	0.4
71.04987	1.0
71.08635	22.8
79.05493	10.8
81.03420	74.0
81.07056	23.8
83.04973	2.7
83.08620	21.8
85.06567	0.9
85.10187	13.3
86.09710	0.7
87.49364	0.4
91.05483	14.3
93.07048	6.6
93.24040	0.4
95.04477	0.3
95.04971	18.6
95.08613	22.8
97.02905	1.8
97.06542	0.8
97.10174	6.1
98.21510	1.3
99.08102	0.7
99.11739	0.8
105.07034	10.6
107.04955	4.8
107.08576	2.5
109.06524	1.8
109.10159	12.2
111.04468	0.8
111.08089	4.9
111.11712	1.9
115.05443	1.6
117.07011	1.3
119.04942	0.8
119.08588	9.7
121.06509	2.6
121.10132	3.6
123.04428	1.3
123.08083	1.4
123.11723	5.0
125.09596	0.7
125.13268	1.2
128.06256	0.7
129.07011	7.4
131.08569	5.5
133.06512	1.9
133.10144	2.2
137.09619	1.4
137.13281	2.0
142.07794	1.9
145.06462	0.7
145.10110	1.2
147.08047	3.5
147.11684	4.4
149.09647	3.7
151.11208	0.6
151.14850	0.6
157.10126	6.8
163.11153	0.5
163.41875	0.4
165.12808	1.6
175.11194	7.2
177.48512	0.4
179.14371	0.6
193.12248	47.4
194.12537	0.4
205.12175	0.5
221.22734	0.8
229.27069	0.4
231.13792	0.5
235.41331	0.4
239.23694	8.4
249.14853	6.3
277.21692	0.5
293.20923	0.5
462.26840	1.2
505.38922	100.0
506.37369	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.389
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02397	0.5
53.03952	3.3
55.01870	1.3
55.05517	8.0
57.03432	1.5
57.07080	31.3
62.89421	0.4
65.03926	1.0
67.05509	20.1
69.03437	1.2
69.07072	8.1
69.46703	2.7
71.04994	1.4
71.08639	22.1
79.05499	9.7
81.03424	67.0
81.07063	22.4
83.04990	2.1
83.08623	24.0
85.02918	0.4
85.06551	1.2
85.10191	12.8
91.05490	15.2
93.07045	7.4
93.82008	0.4
95.04981	17.4
95.08614	21.1
97.02912	1.8
97.06522	0.7
97.10178	5.9
99.08135	0.6
99.11734	1.0
99.98657	0.4
100.87659	0.4
105.07037	8.7
107.04973	4.4
107.08607	2.9
109.02891	0.6
109.06538	1.4
109.10162	10.6
111.04475	0.8
111.08089	5.5
111.11739	1.1
113.13293	0.6
115.05476	1.0
117.07018	1.4
119.04931	1.0
119.08597	8.6
121.06439	1.9
121.10159	3.8
123.04456	1.0
123.08086	1.0
123.11716	4.3
125.09688	0.5
125.13294	1.0
128.06255	0.4
129.07022	7.3
131.08582	6.6
133.06517	2.5
133.10129	2.6
135.08034	0.4
137.09657	1.0
137.13290	2.1
141.06998	0.5
142.07806	2.1
145.10170	0.8
147.08066	2.0
147.11711	4.8
149.09627	2.9
151.14870	1.0
157.10141	7.2
165.12767	1.1
175.11203	6.7
175.12582	0.7
177.32718	0.5
185.13358	0.6
193.12256	44.6
205.12251	0.8
213.12689	0.6
221.22652	0.7
231.13892	1.3
239.23730	8.9
249.14867	6.4
313.27393	0.6
431.94238	0.4
505.38919	100.0
506.39609	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.3889
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03959	5.5
55.01867	0.9
55.05510	11.3
56.83655	0.8
57.03426	2.5
57.07077	32.8
58.75411	0.8
65.03956	1.3
65.36138	0.7
67.05506	22.6
68.22915	0.7
69.03465	1.5
69.07067	9.3
69.78468	0.7
70.68842	2.0
71.05002	1.3
71.08635	23.1
76.21639	0.7
79.05495	10.4
81.03419	64.9
81.07060	23.4
83.04974	2.6
83.08620	22.9
85.10180	13.4
88.16119	0.8
91.05479	14.9
93.07053	7.9
95.04965	20.4
95.08610	21.8
97.02869	1.9
97.06526	1.8
97.10154	6.5
99.63541	0.7
102.49459	0.7
105.07027	11.0
107.04967	5.6
107.08606	3.4
109.06528	2.5
109.10152	10.8
111.04458	1.2
111.08068	5.4
111.11736	1.0
115.05445	1.4
117.07024	1.5
119.08596	8.7
121.06508	1.4
121.10169	3.7
123.04432	1.6
123.08049	1.3
123.11718	3.8
125.13361	1.1
129.07004	6.5
131.08562	6.9
133.06490	2.7
133.10129	3.5
137.09694	1.0
137.13260	2.7
139.14873	1.3
141.05136	0.7
142.07780	2.2
145.35590	0.8
147.08041	2.1
147.11668	3.9
149.09624	3.3
149.94608	0.9
157.10138	6.5
159.11734	1.0
165.12752	1.5
175.11153	5.8
188.79752	0.7
193.12256	40.1
231.13766	1.5
239.23708	9.1
247.50888	0.8
249.14874	5.6
275.20303	1.7
281.53751	1.0
293.21136	1.6
302.74573	0.9
505.38907	100.0
506.39368	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.3526
Annotation	6beta-Hydroxyarjunic acid
Peak:m/z	Relative Intensity
51.93768	1.8
55.01867	2.3
55.05511	18.0
55.56876	1.6
56.18932	1.5
57.03446	9.0
57.07062	2.4
59.04996	5.8
65.03943	3.3
67.05507	100.0
69.07065	8.1
71.04974	3.0
71.52046	1.9
72.06252	1.9
79.05492	22.9
81.03420	3.9
81.07056	33.0
83.04979	2.1
83.08179	2.1
83.08632	10.2
85.06534	4.5
91.05482	33.0
93.07044	30.2
95.04947	4.1
95.08613	21.5
97.06503	3.6
97.10155	3.4
105.07034	32.4
107.08588	15.1
109.06526	2.4
109.10162	71.5
111.08056	4.6
117.07034	8.4
119.08586	31.9
121.10147	13.7
125.09615	3.1
129.06998	7.5
131.08601	13.3
133.10141	25.9
135.11670	11.7
137.09621	3.0
143.08545	5.2
145.10103	10.2
147.11699	22.5
149.09538	2.7
149.13293	6.3
155.10704	5.6
155.41095	1.8
157.10106	8.0
159.11700	8.7
161.13261	19.3
163.14786	3.2
171.11693	8.8
173.11787	22.3
173.13223	4.4
175.14838	8.9
185.13208	2.7
187.14749	2.4
193.12413	2.0
199.14854	4.3
213.16412	2.5
227.12836	8.5
229.14340	58.5
231.21057	5.2
241.19519	19.6
257.04343	2.1
259.20615	45.2
261.22211	2.3
277.21765	1.7
282.53195	1.8
315.23151	2.7
333.20547	1.9
333.24316	28.2
395.29620	2.2
487.34268	11.9
493.07739	1.9
505.35175	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	505.3529
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	4.6
55.05508	17.8
57.03454	3.9
57.07077	4.8
65.03959	4.7
67.05505	29.0
69.03427	12.0
69.07067	34.1
69.42498	24.1
70.04083	8.2
70.06589	8.5
71.05003	5.9
79.05485	21.3
81.03427	8.9
81.07066	66.0
83.04975	11.2
83.08619	10.4
85.02908	13.4
85.06543	4.8
86.09689	3.9
91.05469	28.3
93.07043	50.5
95.04987	11.2
95.08615	59.1
97.02898	17.5
97.06528	16.6
98.20724	3.2
98.97584	4.7
99.08097	8.9
103.05501	4.2
105.07031	55.2
105.07689	4.0
107.04942	4.7
107.08604	59.2
109.02892	6.1
109.06541	12.2
109.10155	33.2
111.08086	6.4
111.11724	4.4
117.03369	4.1
117.07022	12.2
119.04946	10.5
119.08590	67.2
120.77007	2.9
121.02906	11.0
121.06524	8.7
121.10148	36.7
123.04432	58.3
123.08056	7.5
123.11718	27.6
125.09660	4.6
127.03948	9.1
129.06973	3.0
131.08571	41.5
131.96883	3.8
133.06442	3.0
133.10123	43.9
135.04404	6.2
135.11679	27.8
137.05986	5.3
137.13281	7.0
139.03914	15.6
139.11214	6.1
142.07788	6.1
143.08597	13.3
145.02847	7.3
145.06505	3.2
145.10139	54.5
147.04405	33.5
147.11691	55.1
149.13286	15.0
151.03914	100.0
151.05144	4.9
151.07387	4.0
151.11250	5.1
153.05504	6.1
157.10127	15.9
159.11707	36.5
161.05966	4.2
161.09645	4.0
161.13254	15.5
163.03958	22.1
163.11261	3.7
163.14818	10.5
165.05481	24.6
165.09140	15.8
165.12839	3.4
170.11011	3.7
171.11655	10.9
173.06046	4.7
173.13266	39.7
175.14847	30.6
177.02110	3.7
177.05420	10.1
177.12874	4.4
177.16397	22.5
181.04984	6.9
181.12331	3.0
185.13271	15.0
187.14838	57.7
189.12694	4.8
189.16400	14.5
191.03375	3.4
191.14290	7.1
193.04869	4.0
197.13387	5.1
199.14865	23.8
201.16389	38.0
203.14383	18.9
203.17963	20.2
205.15891	54.0
207.06607	6.0
209.15363	4.9
211.14833	4.4
213.16360	8.4
215.05246	3.7
215.07063	7.9
215.14510	5.6
215.17982	7.3
217.15915	10.0
219.01714	3.7
219.17516	8.4
221.11714	49.7
221.15382	9.4
221.18990	4.4
229.04993	7.4
231.17455	5.2
235.17052	3.8
243.17427	3.8
245.22650	4.6
247.17058	4.1
257.04465	29.0
267.06525	4.1
269.04465	5.7
271.24280	3.8
279.06088	3.1
281.04330	3.2
289.25168	15.5
297.07736	3.2
303.05551	5.5
303.08664	57.9
307.26263	11.4
309.07660	10.6
310.08215	3.7
313.10770	3.8
325.10626	9.1
333.25903	5.3
341.10391	3.9
353.10147	45.6
373.16473	63.0
377.31769	3.5
387.30402	4.7
393.31610	6.1
395.32938	4.9
405.31369	19.9
415.16785	3.2
423.32587	25.5
439.32010	8.5
451.31940	17.3
461.12534	5.8
464.16519	3.8
469.33188	30.3
505.14743	76.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.3526
Annotation	MADECASSIC ACID
Peak:m/z	Relative Intensity
55.05506	22.4
57.07059	8.6
64.03903	4.2
65.03941	5.4
67.05510	63.6
69.07058	19.0
70.11139	20.2
71.05018	5.1
79.05496	43.3
81.06665	5.9
81.07058	75.7
83.04971	15.8
83.08604	16.2
91.05478	44.0
93.07037	57.9
95.04963	15.2
95.08616	83.9
97.06549	9.0
97.10152	7.7
105.07037	73.2
107.08601	98.3
109.06506	7.4
109.10155	77.6
111.08101	7.0
117.07018	11.7
119.07816	8.3
119.08591	100.0
121.10155	90.8
123.08050	5.5
123.11665	23.3
125.09644	5.8
129.07025	5.5
131.08569	35.7
133.10129	86.7
135.11725	45.4
137.09625	6.7
137.13223	7.8
142.07784	5.6
143.08557	14.0
145.10144	61.6
147.11653	45.0
149.13284	22.9
153.09099	4.8
157.10167	23.7
158.10939	6.3
159.11723	64.3
161.09660	8.0
161.13268	70.4
163.14807	20.1
167.10622	6.0
169.10222	6.5
171.11711	23.9
173.13222	38.3
175.11324	5.3
175.14792	21.8
177.16429	5.7
179.10687	7.2
181.12328	7.1
183.11775	6.8
185.13272	18.0
187.14853	22.6
189.16357	11.6
191.14293	7.5
199.14816	11.8
201.16389	66.8
203.14236	8.0
203.17969	14.3
207.13791	17.0
209.13368	6.4
211.14836	6.1
213.16437	21.6
215.17981	40.6
217.15805	5.7
219.17392	7.5
221.15273	7.4
222.50203	4.5
225.16405	5.8
227.17897	10.7
229.07402	4.5
229.14252	6.7
229.19382	6.1
233.19229	6.8
239.17950	5.7
241.19489	9.7
245.18948	5.5
247.17058	4.9
255.21019	10.1
259.20438	5.1
301.21692	7.3
305.17325	5.2
343.22739	6.5
350.39395	5.2
357.27795	8.4
361.23474	5.5
361.98145	5.1
363.30191	6.0
381.31531	7.5
405.31503	10.3
409.30835	21.2
413.26910	5.7
423.32559	44.8
427.32352	7.1
441.33698	7.2
451.32166	28.4
466.38745	5.3
469.33093	53.7
487.34256	8.9
505.27600	20.2
505.34488	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	505.3528
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	5.0
55.05517	19.3
56.96566	5.9
57.03446	5.3
59.70050	4.3
61.02934	5.4
67.05504	58.2
69.03427	6.0
69.07075	21.8
69.47405	8.0
69.47824	22.6
70.20827	4.6
71.67514	3.5
79.05495	42.8
81.07058	64.9
83.04988	11.0
83.08617	10.6
86.59727	3.6
91.05479	34.1
93.07041	59.5
95.04977	14.1
95.08609	76.2
96.30936	4.5
97.06526	6.0
97.10160	4.0
99.08115	5.2
105.07034	63.8
107.08601	100.0
109.06516	6.0
109.10162	80.8
109.10844	6.6
111.08105	7.8
112.24941	3.8
113.93738	4.0
114.78052	4.1
117.06989	9.6
119.08585	100.0
120.08960	4.0
121.06494	5.3
121.10151	78.6
123.08015	9.0
123.11685	21.1
125.09631	10.6
131.08565	35.4
133.10135	78.9
135.08018	4.1
135.11716	38.9
137.09641	7.1
137.13281	10.1
139.07545	5.0
143.08571	11.3
144.09213	4.4
145.06491	5.6
145.10139	50.4
147.03162	3.8
147.11705	49.9
149.09598	5.0
149.13248	21.1
151.11140	4.9
153.09193	5.5
155.08615	6.3
157.10147	17.7
159.11688	62.6
161.09657	9.8
161.13263	52.2
163.11234	6.2
163.14830	12.2
163.31987	4.0
165.09261	6.7
169.10121	6.9
171.11687	12.8
173.13229	29.9
175.14861	14.4
177.12682	4.7
177.16295	9.4
179.10669	8.8
181.12224	6.8
183.11737	6.0
185.13281	18.3
187.14801	24.8
189.16389	13.4
199.14835	18.9
201.16393	58.8
203.14391	6.4
203.17978	14.4
205.15880	6.8
207.13838	11.2
211.14856	7.5
212.78180	4.7
213.16394	16.4
215.17979	27.4
217.15964	4.7
221.15321	7.7
221.18936	4.8
227.12762	6.9
227.17838	5.0
229.14204	5.6
233.15320	11.4
233.18991	8.3
241.19421	5.5
243.21164	7.4
253.14279	6.1
255.20941	5.9
257.04575	7.1
259.20523	7.3
279.17416	7.6
315.23401	5.1
317.24683	11.0
319.19141	4.9
321.25867	6.9
331.30215	4.2
342.73358	5.6
343.22760	5.3
361.23523	10.0
363.30222	5.1
381.31573	5.4
387.25052	6.3
405.31625	12.4
409.31207	20.4
411.28687	5.8
423.32712	29.8
427.31900	7.1
429.29837	5.3
441.33606	16.1
451.32053	35.0
469.33301	52.0
487.34030	9.0
505.14908	6.2
505.34387	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	505.3525
Annotation	MADECASSIC ACID
Peak:m/z	Relative Intensity
55.05507	26.6
65.09863	8.9
66.50632	8.7
67.05503	40.8
69.39360	40.8
69.39770	27.7
79.05507	44.9
81.07073	69.6
88.74133	9.0
90.81229	10.3
91.05497	38.9
93.07029	60.3
95.08624	85.1
98.21489	15.1
99.08071	12.7
102.64157	11.7
105.07052	87.5
107.08600	96.8
109.10154	31.2
113.66295	11.1
117.07076	21.8
119.08584	100.0
121.10152	56.7
130.16411	9.1
131.08571	63.6
133.10139	35.7
135.11690	20.7
135.15125	9.7
136.44429	9.8
142.07779	15.8
143.08571	36.6
145.10110	78.6
147.11703	53.8
149.13257	27.1
157.10176	36.3
157.52721	9.2
159.11700	62.3
161.13254	33.2
163.07542	11.0
163.14871	16.8
169.10100	16.1
171.11696	25.7
173.13269	48.4
175.14783	31.6
177.16487	10.7
183.11778	15.5
185.13300	33.7
187.14838	65.4
189.16367	16.0
197.13196	21.7
199.14806	53.3
201.16353	54.0
203.14375	22.0
211.14896	16.4
213.16377	32.4
217.16032	14.2
225.16359	13.9
227.18011	18.0
229.16026	12.3
231.17378	16.6
237.16437	17.3
239.18196	14.3
241.19395	12.4
245.15430	12.6
251.18013	9.4
281.22641	11.5
298.54648	9.6
299.23364	11.0
305.32901	9.8
307.10056	10.5
367.26306	10.2
387.30444	27.3
395.29407	24.0
405.31607	97.0
423.32541	38.5
433.31110	90.0
451.32101	91.6
469.32874	15.4
525.02338	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	505.2647
Annotation	Platanionoside G
Peak:m/z	Relative Intensity
50.99177	0.5
53.03936	0.8
55.01860	0.5
55.05511	3.5
57.03438	1.2
57.07075	1.0
59.04998	1.2
67.05506	8.3
67.13869	0.5
69.03425	4.2
69.07062	8.6
69.96457	0.4
71.04990	1.4
71.08633	0.6
71.52793	1.0
79.05493	1.9
81.03343	0.5
81.07059	10.2
83.04987	5.4
83.08600	3.3
85.02911	2.5
85.06557	2.4
87.04457	1.3
89.03925	0.6
91.05465	2.3
91.13230	0.6
93.07043	4.9
93.79830	0.5
95.04967	1.3
95.08608	19.6
97.02895	2.3
97.06512	1.2
97.10169	1.2
99.08080	2.7
105.07034	4.4
107.08591	12.5
109.06509	5.7
109.10156	62.4
111.08083	1.7
113.09666	1.0
115.03949	1.0
117.03365	0.9
119.08582	25.9
121.06490	1.1
121.08708	0.5
121.10139	7.8
123.04443	0.8
123.08059	8.9
123.11697	5.0
125.09594	0.8
127.03948	0.7
133.04979	0.7
133.10135	14.2
135.04449	2.3
135.11693	70.2
136.12074	0.5
137.05937	0.8
137.09622	11.6
139.11191	0.9
145.02829	0.9
147.11711	0.6
149.13249	5.2
151.03894	2.1
151.11192	5.0
151.14810	7.6
153.12743	2.1
163.03915	8.8
165.16391	1.9
175.14824	33.2
176.15111	0.6
177.05504	0.6
181.04948	0.8
193.14055	1.1
193.15878	57.5
211.16928	100.0
212.17287	0.7
289.14880	0.5
293.43726	0.6
296.12830	0.6
309.07489	0.6
353.10275	1.9
373.22052	2.2
448.17413	1.0
461.17438	0.6
487.21756	0.9
505.15826	3.9
505.22617	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.1679
Annotation	Sergeolide
Peak:m/z	Relative Intensity
51.43418	0.7
53.03939	0.7
55.01870	0.8
55.05523	0.6
56.96560	1.0
64.19630	0.5
67.05480	1.0
69.03417	1.9
69.07072	1.0
69.97372	3.0
70.06590	3.2
71.31298	0.5
72.08163	0.9
73.02903	0.8
77.16861	0.6
79.05505	1.6
81.03384	0.9
81.07053	0.6
83.04968	0.9
84.08131	1.0
85.02907	2.0
86.09682	1.1
87.04462	0.7
91.05496	1.2
93.07062	1.0
93.39772	0.6
95.08601	0.8
96.04543	1.1
97.02901	3.3
97.06521	0.9
98.97578	1.8
100.04838	0.7
102.28262	0.6
105.07061	1.9
105.85377	0.6
107.04937	0.8
107.08596	0.9
109.10174	1.0
115.03903	0.7
115.05445	0.7
119.04945	0.6
119.08541	1.6
120.68379	0.6
121.06508	0.6
123.04432	0.9
129.06976	0.6
131.08586	1.2
133.10144	1.0
135.04457	1.0
137.06009	3.3
138.06326	1.1
139.03825	0.7
140.07007	0.9
143.08643	1.0
145.02855	1.1
147.04509	1.2
151.03909	0.7
157.06439	0.8
157.10130	0.7
161.06041	2.2
163.03894	6.1
164.04213	0.8
167.07224	0.7
175.03975	0.9
175.07535	1.1
177.05467	2.4
178.05046	0.9
181.12155	0.5
187.07602	1.8
189.00664	0.6
189.09158	1.1
191.03436	2.9
191.14362	1.1
193.15892	1.2
197.04280	1.9
202.82733	0.6
203.03519	0.7
203.85374	0.6
212.12881	0.6
215.07057	2.1
217.08612	1.4
219.01805	0.7
239.09671	1.0
246.14894	1.4
257.04474	1.1
259.09729	2.2
265.11267	0.7
280.10666	1.1
295.54691	0.7
301.07132	0.8
311.11502	1.0
313.10626	1.1
331.11554	6.5
376.07617	2.0
445.17139	0.8
459.16248	14.4
473.14246	0.8
487.15701	17.8
487.20740	1.2
505.16766	100.0
506.16995	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.134
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02375	0.4
53.03755	0.3
53.03947	3.9
55.01871	5.1
57.03200	0.5
57.03439	4.3
58.99033	0.4
61.02928	3.4
67.01862	0.6
67.05501	0.5
68.99795	3.4
69.03432	14.0
71.01366	0.5
71.04995	2.6
73.02917	4.6
79.05488	1.0
80.43211	0.4
81.03416	19.1
81.07036	0.8
83.01332	1.0
83.04996	0.5
85.02905	37.4
87.00316	0.8
87.00829	14.5
87.04456	0.8
87.13082	0.4
91.03951	1.5
91.05475	1.6
95.04942	0.8
95.08599	0.5
97.02891	17.0
98.21558	0.7
99.00837	0.4
99.04460	8.0
103.03920	0.8
103.05461	7.7
105.01865	8.3
105.03390	0.6
105.07037	0.6
107.04946	1.1
107.08634	0.5
109.02126	0.9
109.02876	15.1
109.10160	0.5
111.00819	0.8
113.42899	0.4
117.01855	2.8
119.04949	0.7
119.08621	0.6
121.02862	0.7
121.10196	0.4
123.04424	2.0
123.63968	0.4
125.02338	0.6
127.03912	25.2
129.01854	2.7
131.04932	25.7
135.04471	0.8
137.06117	0.4
141.01839	0.5
145.03809	0.6
145.04950	12.8
147.02896	2.1
147.04356	0.8
151.03905	2.3
153.01826	39.5
159.02893	11.8
163.03894	1.3
165.01857	3.1
171.02885	1.6
173.05962	1.8
177.01849	4.1
179.03465	0.7
183.02895	1.4
187.03842	0.9
189.01840	0.7
189.03822	0.6
191.03381	4.3
191.07018	0.7
195.02888	18.0
195.08849	0.5
205.04970	0.7
205.53859	0.4
213.03909	1.1
215.03380	3.1
215.06972	0.8
219.02907	4.3
231.05072	2.7
233.04320	1.0
235.05367	0.4
237.03909	0.7
239.07018	0.6
243.02838	2.4
257.08087	100.0
261.03906	5.0
269.08093	1.4
279.05313	0.4
281.08075	10.4
295.09598	0.6
299.09149	14.1
309.07770	0.6
323.09131	8.0
347.09183	3.0
353.10318	2.1
365.05591	0.5
365.10168	12.3
383.11124	0.6
451.10391	1.1
461.12012	0.6
469.11353	0.6
505.14865	3.5
505.25793	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.134
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02366	0.2
53.03927	0.5
55.01867	0.6
55.05504	0.4
56.96567	0.2
57.03423	0.3
61.02923	0.3
67.01540	0.2
67.01868	3.0
67.05511	0.9
68.99780	1.5
69.03429	1.5
69.07056	0.6
69.21302	0.5
69.21726	0.9
71.04982	0.2
73.02890	0.3
79.05491	1.1
79.05885	0.2
81.03428	2.3
81.07066	1.4
83.01344	0.2
83.08611	0.3
85.02908	4.2
87.00832	1.2
89.50891	0.1
91.03922	0.2
91.05478	1.7
93.07034	1.2
95.04969	0.4
95.08594	1.0
97.02896	1.7
97.03466	0.3
97.06523	0.3
99.04500	0.7
103.05466	5.0
105.01884	0.8
105.03378	0.6
105.07033	1.6
107.04971	1.3
107.08595	1.5
108.08863	0.2
109.02879	2.1
109.06524	0.3
109.10126	0.9
111.00794	0.5
111.08117	0.2
117.01912	0.2
117.07018	0.3
119.04919	0.2
119.08590	1.7
121.06495	0.3
121.10152	0.7
123.04402	1.0
123.08040	0.3
123.11676	0.4
125.02351	0.5
127.03925	3.4
129.01810	0.9
131.04933	16.4
131.08565	0.9
133.10124	1.0
135.11678	0.5
137.05984	0.2
137.09703	0.1
139.03880	0.2
142.48393	0.1
143.08560	0.4
145.04951	1.2
145.06140	0.3
145.10138	0.8
147.04408	0.2
147.08014	0.3
147.11674	0.9
149.13254	0.4
150.66736	0.2
151.03911	1.2
153.01831	63.3
154.02164	0.2
157.10156	0.6
159.02893	1.5
159.11720	0.6
161.13248	0.4
163.03914	0.3
165.09102	0.2
171.02892	16.8
171.11655	0.3
173.05977	1.2
173.13228	0.6
175.14786	0.4
179.03375	0.6
183.11679	0.3
185.13222	0.4
187.14862	0.8
187.16254	0.2
189.16290	0.3
191.07008	0.4
194.04413	0.2
195.02937	0.5
197.13347	0.2
199.14854	0.5
201.05608	0.2
201.16423	0.5
203.14336	0.2
203.18004	0.4
205.15858	0.4
211.14758	0.2
213.16386	0.2
215.07062	1.4
219.17462	0.2
221.15430	0.2
229.04938	0.5
229.08626	0.2
231.04979	0.4
239.07011	0.3
241.04849	0.2
245.04390	0.2
257.08084	100.0
258.05505	0.2
258.08456	0.7
261.03961	0.2
269.04486	0.2
281.04724	0.2
281.08090	0.6
295.06036	0.2
299.09131	0.6
299.19955	0.2
309.07599	0.6
310.08429	0.3
323.09186	0.2
325.10657	0.5
335.09210	0.2
353.10223	3.3
365.10172	0.4
405.31577	0.4
423.32654	0.3
433.31372	0.2
439.31937	0.2
451.32010	0.5
461.12152	0.6
469.33151	0.4
505.14932	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	505.1341
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	0.8
55.01853	0.6
57.03431	0.2
61.02902	0.2
61.61944	0.2
67.01863	2.7
67.05487	0.6
68.99774	1.7
69.03446	1.4
69.03752	0.3
69.07063	0.5
71.03970	0.5
71.04979	0.5
73.02917	0.4
74.14594	0.3
79.05495	1.0
81.03408	1.9
81.07047	0.7
85.02428	0.4
85.02911	3.8
85.06521	0.2
87.00838	1.3
91.05470	1.9
93.07033	0.9
95.04964	0.4
95.08601	0.7
95.52248	0.2
97.02892	1.8
97.06538	0.4
99.04446	0.6
103.05466	5.2
105.01852	0.8
105.03419	0.4
105.07046	1.6
107.04958	0.7
107.08597	1.0
109.02872	1.8
109.10139	0.6
111.00797	0.5
116.81258	0.2
117.01876	0.4
117.07021	0.4
119.08587	1.1
121.10153	0.4
121.33350	0.2
123.04427	0.6
125.02367	0.4
127.03912	3.1
129.01833	1.1
131.04930	16.6
131.08553	0.7
133.10132	0.9
134.97374	0.2
135.11685	0.5
142.23027	0.2
143.08546	0.5
145.04991	1.2
145.06479	0.6
145.10146	0.9
146.03949	0.2
147.11699	0.8
149.13239	0.4
151.03920	1.0
153.01833	63.6
154.02202	0.2
159.02919	1.2
159.11722	0.5
161.13226	0.4
171.02896	12.3
171.11705	0.3
173.06006	1.0
173.13321	0.3
175.14911	0.4
179.03348	0.6
187.14825	0.8
191.07079	0.4
195.02841	0.4
197.06033	0.3
197.13315	0.3
199.14874	0.5
201.16396	0.5
203.14218	0.2
203.18097	0.3
215.07005	1.3
229.04924	0.3
231.04919	0.3
257.08090	100.0
281.08075	0.4
299.09137	0.6
309.07544	0.8
323.09125	0.3
325.10712	0.4
353.10107	2.0
365.10144	0.4
387.30173	0.3
405.31525	0.4
433.31247	0.4
451.31824	0.9
461.12292	0.4
463.70721	0.3
487.13495	0.3
505.14743	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	504.1862
Annotation	Unknow
Peak:m/z	Relative Intensity
51.82114	0.8
59.33755	0.7
65.03970	0.8
69.07069	1.0
69.29789	6.7
79.05507	1.8
81.03407	0.8
81.07056	3.7
91.05477	1.7
95.04975	1.8
95.08606	0.8
97.06522	0.8
105.75072	0.8
109.02923	1.7
109.10168	1.1
119.04941	2.9
123.04430	16.8
123.08034	1.4
125.02412	1.0
135.04431	2.2
137.06004	1.5
139.03912	1.6
147.04401	11.5
148.04803	1.0
149.05994	2.4
151.03905	86.8
152.04265	5.1
163.03908	4.2
163.07710	0.9
165.05470	7.0
177.05464	4.6
177.08972	0.8
201.09111	1.6
219.10159	100.0
220.10481	7.8
249.11160	1.0
259.09747	0.8
303.08783	3.8
304.08969	1.0
336.88022	0.8
371.14899	11.7
372.15234	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.3731
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02236	1.2
53.03948	5.5
55.01876	2.0
55.05510	31.2
57.03432	1.4
57.07076	10.3
57.48978	1.5
65.03933	1.5
67.05502	10.4
69.03421	1.5
69.07066	35.0
71.08621	9.3
71.23242	2.2
75.75990	1.3
77.29361	1.2
79.05476	9.7
81.03416	68.9
81.07055	10.3
83.04980	2.5
83.08147	2.7
83.08617	36.8
85.10187	3.9
87.37423	1.2
91.05466	15.3
93.07059	7.0
95.04971	18.4
95.08616	5.3
97.10168	23.5
105.07043	11.4
107.04937	3.4
107.08607	3.7
109.06516	1.9
109.10154	1.6
111.04455	1.3
111.08080	5.3
111.11702	8.8
115.05419	1.6
119.08583	9.3
121.06425	1.3
121.10144	4.0
123.08022	1.5
125.13249	2.1
129.07018	7.6
131.08511	6.4
133.06476	3.6
133.10182	3.1
142.07808	1.5
147.08090	1.8
147.11745	3.0
149.09624	3.9
157.10121	8.2
175.11212	7.9
181.92174	1.4
193.12257	24.8
228.20448	1.3
229.49928	1.2
237.22188	1.4
249.14932	6.6
277.83966	1.5
319.37689	1.6
342.61511	1.3
503.37363	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	503.3373
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	4.0
55.05515	19.1
66.86779	3.1
67.05487	12.9
69.03420	6.5
69.07063	22.9
70.83609	7.7
79.05493	13.8
81.07054	30.4
83.04993	9.9
83.08614	14.7
91.05468	23.5
93.07042	36.5
95.04987	5.8
95.08620	43.7
97.02871	4.3
97.06523	6.3
105.07040	44.8
107.08598	49.7
109.06510	7.6
109.10138	20.6
111.08070	12.6
117.07005	10.6
119.08588	100.0
121.06491	4.9
121.10159	42.7
123.08077	11.0
123.11705	18.5
125.09651	7.9
129.07010	8.1
130.07800	4.1
131.08560	41.7
133.10139	62.8
135.08063	11.3
135.11708	13.6
137.05885	3.2
139.11169	4.8
142.07748	7.6
143.08549	24.9
145.10129	62.5
147.08072	6.4
147.11703	33.1
149.09659	4.1
149.13284	7.8
151.07504	5.2
151.11226	3.9
155.08498	4.7
156.09343	9.5
157.10126	36.0
158.10916	5.5
159.11697	42.0
161.09660	8.2
161.13246	23.1
163.03833	7.4
163.11250	5.5
163.14812	10.0
169.10115	10.8
170.10898	6.1
171.11708	22.8
173.13269	34.1
175.14824	22.2
177.12697	7.3
177.16385	5.4
183.11684	13.2
185.13278	71.5
185.14902	7.2
187.14824	54.6
189.12776	6.9
189.16325	16.1
191.14304	13.9
193.15894	4.9
195.11774	5.4
197.13234	9.3
199.14830	31.4
201.12820	5.0
201.16396	31.9
203.14334	37.9
203.17998	9.0
205.15862	24.7
207.17329	4.1
211.14833	10.2
213.12601	4.1
213.16469	15.6
215.14304	10.8
217.15848	24.0
219.17380	5.7
221.15373	5.1
223.14890	3.2
229.15936	5.8
231.13710	4.2
231.17447	7.5
233.15314	9.2
235.16962	10.5
237.16382	6.3
245.15410	6.3
247.16985	4.2
249.14833	55.5
253.19627	3.7
259.17017	4.9
267.20831	3.2
319.24237	5.0
323.25812	13.2
347.09567	3.2
385.28952	4.8
391.29926	9.8
393.31461	5.4
403.29874	21.2
405.31430	10.0
409.31046	10.6
421.30972	22.7
423.33044	4.1
431.29385	11.6
437.30362	25.0
439.32141	6.4
449.30536	32.1
455.31430	14.3
467.31567	29.4
485.32727	15.1
503.33246	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	503.3369
Annotation	Unknow
Peak:m/z	Relative Intensity
50.75672	3.3
53.03946	6.3
55.05508	17.2
57.03447	4.0
67.05505	20.1
69.03436	10.1
69.07072	18.8
70.06593	4.3
71.52444	5.2
73.01132	3.3
79.05497	19.7
81.03415	5.9
81.07058	37.5
83.04977	10.8
83.08620	14.8
85.02896	6.2
85.06538	3.4
91.05466	20.7
93.07050	35.3
95.04990	8.7
95.08611	52.5
97.02896	4.7
97.06526	16.2
98.97598	5.1
105.07030	50.0
107.04970	5.9
107.08614	50.3
109.02869	4.6
109.06535	11.6
109.10174	27.7
111.04490	5.6
111.08110	10.8
113.09769	3.5
117.07016	9.3
119.08590	100.0
120.54811	3.1
121.06512	22.7
121.10150	42.4
123.04434	6.2
123.08058	11.6
123.11675	6.3
125.09548	3.0
128.06253	4.8
129.07021	8.1
131.08568	45.2
133.06514	4.5
133.10141	62.2
135.08083	9.2
135.11717	15.1
137.05995	3.7
137.09642	5.5
139.03909	8.2
139.07568	3.5
141.06895	3.9
142.07837	6.4
143.08554	22.7
144.09352	3.9
145.10127	65.0
147.04416	5.0
147.08009	8.8
147.11696	29.4
149.09669	6.8
149.13245	8.9
155.08540	4.4
156.09315	7.2
157.10138	29.3
158.10884	4.2
159.11702	46.2
161.09644	13.6
161.13252	18.2
163.03940	11.0
163.11261	5.5
163.14856	13.5
166.01657	3.3
169.10159	11.8
170.10947	10.3
171.11690	18.1
173.09740	3.6
173.13277	36.6
175.11220	5.8
175.14825	35.1
177.09204	3.6
177.12761	5.4
177.16376	7.4
181.10130	4.0
183.11720	11.9
184.12497	4.6
185.13271	64.8
187.14824	51.5
189.12752	11.7
189.16415	12.5
191.14314	14.0
193.15974	5.6
197.13310	6.0
199.14835	33.1
201.16399	36.0
203.14351	36.8
203.17876	7.8
205.15906	26.0
209.13326	4.7
211.14804	7.4
213.16411	15.0
215.14407	4.2
215.18044	4.1
217.15833	24.8
219.13986	3.5
219.17493	9.6
221.15497	7.1
223.16957	5.0
227.17929	7.4
229.15858	7.1
231.17506	6.8
232.09793	5.9
233.15422	8.3
235.16998	12.6
237.16353	5.5
239.18105	3.8
241.16002	3.7
241.19537	4.0
245.15488	8.0
247.17105	4.3
249.14873	60.7
255.06442	9.6
261.14719	4.4
319.23712	3.4
336.12396	3.4
352.15533	25.4
385.29105	4.4
391.29926	10.9
393.31631	4.1
403.30103	18.4
409.31088	7.9
419.29288	6.9
421.31198	21.1
423.32559	4.9
437.30576	23.3
439.31921	9.8
449.30487	30.5
455.31339	10.7
457.33023	5.5
467.31619	38.3
485.32953	15.4
490.26337	3.2
503.13348	6.4
503.33966	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.3369
Annotation	Saponaceolide B
Peak:m/z	Relative Intensity
53.03937	7.3
55.05504	18.8
56.96556	14.7
57.03434	5.5
57.07072	6.1
61.02922	6.9
67.05508	41.3
69.03439	7.9
69.07072	24.9
69.39833	16.0
69.40246	16.2
71.04990	8.4
73.02921	5.7
75.37067	4.3
78.68864	4.5
79.05511	31.0
81.03421	17.3
81.07062	66.0
83.08629	13.8
85.02908	15.4
91.03963	5.7
91.05492	44.0
93.07055	54.8
95.04977	9.3
95.08623	63.8
97.02928	7.8
98.97593	8.5
99.08075	10.1
102.53874	4.2
105.07043	90.1
107.04936	6.5
107.08588	70.1
109.06511	9.4
109.10158	35.5
110.97599	8.3
111.08119	5.0
117.07034	21.4
119.07805	7.8
119.08588	100.0
121.10159	38.2
123.11707	8.8
129.07010	12.2
131.08578	69.4
133.10135	52.5
135.11705	19.3
137.09572	4.4
141.06891	6.2
142.07733	9.3
143.08572	39.7
143.54326	4.5
145.10141	92.7
147.08090	6.0
147.11688	47.6
149.09639	7.4
149.13229	5.1
155.08559	15.2
156.09389	12.9
157.10147	50.6
158.10928	5.8
159.08044	7.1
159.11720	57.2
161.09546	7.7
161.13257	26.8
163.11224	7.0
169.10143	15.4
170.10971	10.7
171.11688	27.2
173.13283	59.2
175.14862	37.9
177.16487	6.7
179.14363	7.8
181.10211	4.9
183.11728	21.3
185.13284	56.0
187.14806	70.4
189.12831	7.2
189.16405	16.7
191.14330	7.1
195.11757	11.5
197.13307	19.5
199.14804	51.2
201.12656	6.1
201.16370	45.2
203.14291	37.9
205.15891	10.5
209.13301	9.5
211.14793	19.4
213.16394	20.3
215.14375	14.8
215.17952	6.0
217.15872	12.6
219.17358	9.5
223.14822	7.3
225.16418	9.8
227.14452	6.1
227.17990	5.9
229.07474	15.2
229.14122	6.2
229.16046	6.1
231.13795	6.6
233.15361	8.3
237.16415	7.8
239.18079	11.3
241.19615	6.6
245.15433	11.4
245.36639	4.7
249.14864	16.7
251.18001	9.5
253.19435	5.5
259.17062	9.2
267.09076	20.1
267.20941	5.6
275.20224	5.1
279.21140	10.8
281.22610	5.2
285.10095	16.5
287.19830	5.3
296.10129	6.4
316.11768	7.9
373.29034	7.9
385.28934	12.1
391.30005	17.4
403.29999	63.5
407.29517	8.0
409.30960	11.4
414.12454	5.8
419.29291	8.5
421.31088	92.7
431.29428	14.1
437.30640	11.5
439.31958	11.7
449.30496	60.5
455.31598	12.0
467.31659	60.9
479.03009	5.7
485.32788	37.4
503.33682	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	503.3371
Annotation	Ganolucidic acid B
Peak:m/z	Relative Intensity
55.05503	16.9
57.03428	4.8
61.02910	4.9
67.05507	51.2
69.07053	15.2
69.43806	8.7
69.44222	29.5
71.04984	7.8
79.05489	35.6
81.07064	62.5
83.08602	10.5
89.27652	5.2
91.05482	36.4
93.07050	44.5
95.04945	13.6
95.08598	52.1
97.06538	11.5
102.22485	5.0
105.07040	89.0
107.08599	60.0
109.06544	5.8
109.10170	33.4
117.07020	17.6
119.08582	100.0
121.10145	27.9
123.08015	6.2
123.11703	5.0
128.06235	6.7
129.06995	21.5
131.08583	52.6
133.10143	44.2
135.11700	13.8
142.07787	6.4
143.08562	39.9
145.10136	72.6
147.11661	31.3
149.06026	9.4
149.09612	5.7
149.13237	14.4
155.08559	20.6
156.09323	8.5
157.10143	48.5
158.10938	7.3
159.08157	5.6
159.11696	71.1
161.13213	24.9
163.14903	7.7
167.08630	6.0
168.09375	8.0
169.10150	25.9
171.11703	32.6
173.09581	5.5
173.13281	52.0
175.11307	5.5
175.14816	13.5
177.12775	5.6
181.10153	13.5
182.10966	6.4
183.11719	51.9
184.12672	4.7
185.13289	33.0
187.14871	33.6
189.16356	10.9
194.69597	4.9
195.11752	13.8
197.13287	23.0
199.11092	5.5
199.14807	35.0
201.12766	94.5
201.16360	15.9
203.14352	7.1
205.12206	12.8
205.15932	5.7
207.11627	14.0
209.13184	14.9
211.14850	15.5
213.16393	17.2
215.14342	10.7
215.18065	6.6
217.15970	8.9
221.13245	10.5
223.14819	15.7
225.16306	10.1
227.17995	5.6
229.16011	6.1
235.14772	14.1
237.16354	12.0
239.18033	11.5
243.13765	7.1
247.13242	61.1
251.17957	13.1
253.19261	5.3
257.15421	10.5
277.19528	10.2
279.21063	11.1
289.19394	5.5
323.20026	10.2
335.20074	5.8
365.24429	8.0
385.28790	20.7
393.27734	11.8
403.29987	65.1
411.28976	9.9
421.31076	29.7
431.29510	51.6
449.30524	86.6
467.31488	15.3
485.32169	8.6
503.25906	5.7
503.33374	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	503.3369
Annotation	CHEBI:69363
Peak:m/z	Relative Intensity
53.03936	2.0
55.05511	8.6
67.05498	9.4
69.03437	2.0
69.07077	11.2
70.47576	1.6
70.77309	4.4
79.05495	10.5
81.07061	35.1
83.08624	8.1
91.05486	11.7
93.07040	20.9
95.04961	5.5
95.08616	25.7
97.06538	30.6
105.07033	30.5
107.08585	27.9
109.06527	14.2
109.10159	17.4
111.08072	8.9
113.48354	1.7
114.79426	1.6
117.07030	6.2
119.08587	55.2
121.06514	3.3
121.10146	24.0
122.85828	1.9
123.08070	6.6
123.11688	2.3
125.09652	5.9
129.06990	4.3
131.08569	27.6
133.10130	27.5
135.08063	5.5
135.11688	7.8
137.09573	2.9
142.07777	3.1
143.08546	15.1
144.09358	2.6
145.10121	37.5
145.11151	2.9
147.08070	4.5
147.11705	17.2
149.09604	6.8
149.13269	3.4
151.07584	2.2
153.09154	3.0
155.08606	3.6
157.10130	21.5
159.11700	29.8
161.09676	3.4
161.13255	16.3
163.11168	4.2
163.14798	3.8
167.10690	8.3
169.10136	6.5
170.10881	3.5
171.11699	11.4
173.13255	23.8
175.11241	3.3
175.14818	19.5
177.09271	2.1
177.12753	4.6
177.16289	1.8
179.14462	2.2
183.11736	5.3
185.13274	42.4
187.14845	20.8
189.12726	2.5
189.16428	15.3
191.14316	10.3
193.15868	2.1
195.11720	2.3
197.13237	6.3
199.14815	35.4
199.16591	2.4
201.16370	20.6
203.14337	28.3
203.18004	2.6
205.15898	6.4
211.14890	4.5
213.16345	5.4
215.14268	6.5
217.15877	51.1
219.17416	4.2
221.15430	4.9
227.17973	4.0
229.15958	2.2
231.17427	4.7
233.15250	2.2
235.16951	21.3
237.16490	3.6
239.17941	4.6
241.19539	2.8
245.15355	12.7
247.16968	4.5
249.14827	31.5
259.16989	2.3
261.14893	5.4
263.16357	9.3
273.18417	2.6
277.18042	3.6
345.26151	2.2
403.30106	7.4
421.31219	11.1
431.29568	3.7
437.30377	2.7
439.31973	5.1
449.30402	17.7
467.31601	100.0
468.31982	2.0
485.32651	84.5
503.33554	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	503.249
Annotation	Unknow
Peak:m/z	Relative Intensity
53.57584	1.1
55.05525	1.3
56.79243	1.2
56.96557	1.9
61.82108	1.2
67.05489	3.3
69.03419	4.7
69.07059	2.8
70.60899	2.9
70.61261	2.8
77.20152	1.2
79.05482	2.6
81.07065	6.8
85.02909	3.6
86.09682	1.4
89.16557	1.3
91.05474	3.2
93.07026	4.5
95.04961	1.9
95.08616	2.6
97.02888	3.9
105.07024	6.5
107.04942	1.5
107.07953	1.8
107.08602	13.3
109.06513	4.4
109.10177	6.3
113.53090	1.3
114.61324	1.7
115.05399	2.0
117.07080	1.4
119.08543	4.6
121.06515	1.7
121.10155	11.5
122.07288	3.0
123.08059	2.1
131.08537	5.4
133.10136	100.0
135.04419	2.4
135.08063	11.2
136.04730	1.7
137.05975	4.1
137.09627	52.3
145.02846	1.6
147.11650	3.1
149.13281	10.5
151.11142	2.0
152.91882	1.3
163.03891	11.6
163.14842	2.8
165.12726	2.3
171.94370	1.5
173.13243	10.6
177.05438	2.5
191.14319	56.5
209.15376	38.9
221.06906	1.3
252.09224	1.8
339.11246	1.5
485.20261	2.5
503.19083	68.8
503.27612	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	503.3369
Annotation	CHEBI:69363
Peak:m/z	Relative Intensity
53.03941	7.9
55.01860	9.0
55.05510	21.6
57.03433	4.3
57.07064	4.0
57.45609	3.9
59.04993	4.7
59.74327	3.6
66.19811	4.0
67.05180	7.2
67.05509	100.0
69.00716	4.2
69.07064	30.3
71.52637	6.2
72.14823	3.8
79.05493	38.5
81.03403	11.4
81.07059	63.1
83.04988	7.7
83.08617	18.0
85.06548	5.3
86.09708	4.6
91.05482	43.8
93.07060	37.5
95.01304	5.4
95.04983	9.7
95.08614	53.6
97.06535	12.5
99.08112	4.9
104.10732	6.0
105.07038	67.0
107.04971	11.7
107.08595	40.7
109.06530	7.8
109.10162	47.6
111.08096	6.2
117.07025	14.4
119.08591	58.5
121.10163	25.5
123.11719	5.0
125.09573	4.3
129.07001	6.7
131.08592	33.8
133.06390	4.8
133.10143	44.4
135.08043	9.0
135.11691	11.8
137.44624	4.1
143.08557	10.9
145.06509	5.2
145.10141	42.0
145.86084	4.3
146.34245	4.8
147.11708	26.9
149.09622	8.2
149.13264	10.9
157.10146	11.7
159.11693	23.8
161.13251	16.8
163.14873	9.2
171.11674	11.2
173.11710	12.3
173.13272	15.2
175.14882	15.5
177.16356	13.8
179.14362	12.7
181.10118	6.2
183.11581	5.8
184.07356	5.1
185.13280	8.4
187.14819	41.1
189.16412	42.8
199.14886	7.4
201.16362	26.3
203.17967	22.9
207.13776	7.0
213.16426	4.6
215.18004	4.9
219.13838	9.8
221.15437	5.2
231.13776	5.5
233.15361	12.6
235.16887	8.0
239.18111	4.4
247.16853	9.3
249.14624	4.2
257.19028	5.6
275.20090	50.8
292.98801	4.5
331.26312	5.5
393.31604	8.0
421.31082	32.9
423.32397	7.9
439.32178	19.6
449.30612	4.6
455.31677	23.7
457.32397	5.0
467.31396	14.6
503.34161	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	503.2478
Annotation	Platanionoside F
Peak:m/z	Relative Intensity
51.27128	1.0
54.54824	1.1
55.01868	1.5
55.05505	2.9
56.57430	0.9
57.03424	4.5
57.07074	1.2
59.05002	1.5
61.02930	2.6
67.05508	4.6
69.03432	22.7
69.07059	3.6
69.39471	1.2
70.06583	8.6
71.04970	1.2
71.52229	1.0
71.52672	1.5
72.08142	1.8
76.15845	1.1
79.05508	3.5
81.03413	4.5
81.07050	4.8
83.04980	8.5
83.08612	2.7
85.02902	24.1
86.09708	2.5
87.04464	5.1
91.05482	4.8
93.07032	4.5
95.04967	3.7
95.08597	11.0
96.08129	2.0
97.02898	21.5
97.06537	2.6
98.97558	2.2
99.04461	1.6
105.07048	7.7
107.08585	17.0
109.02896	3.9
109.06519	11.1
109.10162	6.4
111.04436	1.3
111.08084	5.2
113.87839	1.2
115.03934	10.4
117.07056	1.1
119.08586	7.1
121.02917	1.2
121.06500	1.9
121.10136	13.3
123.04397	1.4
123.08058	4.8
123.11721	2.2
125.09644	9.9
127.03941	7.1
131.08572	8.1
133.04973	4.1
133.10133	9.4
135.08067	16.7
135.11705	6.9
137.09694	1.8
139.03954	2.1
143.08543	1.8
144.08113	1.3
145.04967	4.7
145.10109	3.6
147.04402	2.4
147.08020	2.4
147.11697	4.8
149.09644	10.4
149.13252	5.9
150.10368	2.1
153.09119	3.9
156.09325	1.5
157.10202	1.6
158.10942	5.7
159.08105	2.4
161.09615	3.5
161.13268	1.5
163.03874	1.3
163.11163	3.6
163.14813	5.3
165.12682	1.9
167.10690	1.5
171.11646	2.1
173.13274	28.0
175.11249	1.7
175.14951	1.2
176.11964	2.2
177.05502	1.5
177.09134	1.7
189.12686	2.4
191.14308	100.0
196.13324	2.7
201.12804	1.6
203.14355	2.3
207.13776	1.9
209.15370	68.0
221.15352	3.5
223.09550	1.2
231.10114	1.7
233.15297	1.9
239.12840	2.4
267.12265	2.7
275.16397	2.5
287.05429	1.2
287.16479	4.2
305.17532	6.7
306.13797	1.3
323.18536	44.3
323.22348	2.7
341.19681	2.4
353.19534	2.8
358.11346	1.1
485.23904	4.0
486.17712	3.0
496.93701	1.2
503.25064	17.9
504.18527	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	503.2023
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03962	0.5
55.01866	0.6
67.05486	1.0
68.99789	0.5
69.55878	2.8
71.01340	0.5
79.05482	1.2
81.03399	0.4
81.07059	3.3
91.05492	0.8
93.07068	0.5
95.04968	1.0
95.08614	1.0
98.20850	0.8
105.03367	0.6
109.02892	1.4
109.10171	1.7
117.07039	0.4
119.04952	3.6
121.06507	0.9
123.04432	17.2
123.08090	0.9
125.02336	0.8
131.08633	0.6
133.06143	1.3
135.04410	1.6
137.06001	1.2
139.03897	1.9
147.04416	11.1
149.05975	1.8
149.09610	0.7
151.03905	74.8
161.05934	0.9
163.03879	2.7
163.07616	0.5
165.05469	8.5
175.07623	0.5
177.05481	4.9
177.09166	1.1
181.04950	0.6
201.09108	1.8
207.06479	0.9
219.10167	100.0
231.10263	0.7
249.11191	0.8
261.26974	0.4
303.08609	5.1
353.13800	1.4
371.14902	16.6
372.15091	0.5
503.20959	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.2479
Annotation	Unknow
Peak:m/z	Relative Intensity
51.05506	0.8
53.03931	1.1
55.01870	0.9
55.05507	4.8
56.96556	1.2
57.03424	1.2
57.07051	1.7
60.96300	0.8
61.02926	0.8
67.05518	5.1
69.03431	3.8
69.07068	3.1
70.04080	6.2
70.06599	1.2
70.32565	0.7
71.04996	6.1
71.53304	1.0
73.06554	1.8
75.63392	0.8
79.05490	5.9
79.51147	1.0
81.03408	2.6
81.07059	12.5
83.04974	2.2
83.08615	2.4
85.02914	6.5
85.06551	1.8
87.00815	2.3
91.05480	6.1
93.07048	10.3
95.04972	2.3
95.08607	12.3
97.02880	4.4
97.06522	3.3
97.10143	1.0
98.97558	1.0
99.08094	1.7
99.31377	0.8
105.01866	1.7
105.06396	1.3
105.07035	15.5
107.08605	11.0
109.02851	2.6
109.06467	0.8
109.10178	5.3
111.04446	1.2
111.08084	1.4
115.05337	0.9
117.07010	1.8
119.08588	7.3
121.06481	1.3
121.10170	7.7
123.04392	1.1
123.11679	3.1
125.09624	9.6
127.03890	2.9
127.04771	1.0
127.07543	1.2
127.11163	1.3
130.07727	1.0
131.08568	3.2
133.10132	21.8
135.04391	1.7
135.08003	0.8
135.11705	2.0
137.05975	1.0
139.03893	1.8
140.04228	1.0
143.08583	1.7
143.10692	8.3
145.02850	1.1
145.04936	1.3
145.10117	6.8
147.08046	1.2
147.11685	8.6
149.09616	1.0
149.13275	6.3
151.11214	1.1
157.10138	1.5
159.11703	5.5
161.05814	0.9
161.09581	1.8
161.13242	2.6
163.03906	3.2
163.11197	1.4
165.12756	0.9
167.14328	17.1
169.12248	1.3
171.11632	0.9
173.13181	2.4
175.14822	1.5
177.05457	2.2
177.16293	1.3
185.13287	1.8
187.14818	1.8
191.14354	0.9
199.14819	1.4
201.16397	4.1
202.16742	1.0
203.05266	6.3
203.14319	1.5
203.17912	1.1
205.15848	1.4
215.07021	1.0
215.14235	0.8
219.17426	10.6
237.18474	1.7
249.14851	0.9
255.06554	10.9
323.13538	1.0
323.25677	6.2
329.22833	1.0
341.19299	1.3
449.30365	1.4
457.33353	1.0
459.22012	2.2
467.31958	1.3
471.21964	1.7
485.18756	2.9
485.27722	0.8
503.24445	100.0
503.31812	64.0
504.25168	2.7
504.31946	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.1915
Annotation	Unknow
Peak:m/z	Relative Intensity
52.65995	0.7
53.03933	1.1
55.01860	1.9
57.03425	2.5
61.02913	2.7
69.03427	7.6
70.69441	1.6
71.04971	0.9
73.02893	1.4
75.69669	0.7
79.05489	1.9
81.03416	4.2
81.07036	1.5
85.02905	17.9
91.05470	2.7
94.04189	2.7
97.02902	7.1
97.70213	0.7
99.04447	1.5
103.05482	3.7
104.98950	0.7
105.07026	3.3
109.02853	2.0
109.06513	2.2
115.05430	2.5
117.07021	1.4
119.08586	3.3
122.03653	8.0
123.04447	0.8
124.56638	0.7
127.03925	4.1
128.06189	1.9
129.06995	1.4
131.04930	5.1
132.05681	1.8
133.06491	3.0
133.10059	0.9
137.05977	100.0
138.06274	0.9
141.06969	1.0
143.04921	0.8
145.04933	2.4
145.06453	1.3
146.03618	1.3
147.04443	1.7
147.08116	4.1
149.05988	1.8
155.03571	0.8
156.05690	1.0
157.06445	1.0
159.08069	2.0
160.05209	2.4
161.05997	10.6
163.03951	0.9
163.07547	8.6
169.06505	1.4
175.07545	44.9
179.07037	0.9
184.03540	0.9
184.05214	1.7
187.07568	5.4
190.07774	1.3
191.08569	4.1
199.07541	14.7
201.03825	1.2
201.09142	0.8
202.06023	0.9
202.07716	3.9
203.08525	6.9
205.06497	0.9
215.08678	0.9
217.08530	1.3
218.07291	1.4
219.08083	6.9
220.08850	3.1
231.08078	9.1
232.08827	1.7
236.08321	1.2
236.49673	0.7
247.07555	3.4
248.08353	3.3
251.10672	9.6
259.07654	7.0
260.08365	1.4
261.09149	1.1
263.10657	4.8
264.07861	0.8
265.08655	1.3
276.07822	3.2
277.08585	3.2
279.10190	8.7
280.10944	0.9
291.10147	10.7
292.11026	4.0
295.13181	1.8
296.10242	1.4
306.08490	1.4
308.10318	1.2
311.12793	24.5
323.12735	22.5
325.14316	2.0
337.10480	1.1
338.11035	3.4
485.19553	0.9
500.67017	0.8
503.20679	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	503.1186
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03907	0.4
55.01833	0.3
57.03404	0.1
61.02897	0.2
67.01826	0.4
67.05462	0.4
67.18301	0.1
68.99771	0.4
69.03430	1.4
69.07040	0.3
70.06583	0.1
70.84673	0.2
70.84987	0.2
71.04948	0.4
73.02896	0.2
78.07704	0.1
79.05473	0.2
81.03423	1.5
81.07008	0.6
83.08582	0.2
85.02913	2.7
87.00841	1.1
87.04425	0.2
91.03926	0.1
91.05437	0.5
93.06994	0.5
93.07566	0.1
95.04963	0.1
95.08560	0.5
97.02890	1.2
97.06484	0.4
99.04402	0.5
101.76420	0.1
103.05433	0.5
105.01861	0.6
105.03348	0.3
105.06998	0.5
107.08550	0.5
109.02252	0.1
109.02881	1.5
109.10131	0.3
111.08035	0.2
117.01804	0.2
119.08559	0.6
121.10167	0.6
123.08012	0.2
127.03130	0.1
127.03934	1.8
129.03325	0.4
129.06921	0.2
131.08553	0.3
133.10104	0.4
137.05928	0.2
139.03860	0.4
145.02852	0.2
145.04927	0.6
145.06030	0.1
145.10083	0.5
147.04402	0.3
147.11647	0.3
153.01823	2.2
157.10153	0.2
159.02890	0.8
159.11678	0.3
161.09659	0.2
163.03915	0.7
163.14630	0.2
164.04175	0.2
171.02887	0.2
173.05971	0.2
173.13257	0.2
175.14729	0.1
177.05473	0.2
185.13228	0.3
187.07530	0.1
187.14798	0.4
201.16353	0.2
203.14268	0.2
205.15805	0.1
209.05995	0.4
213.05592	0.2
215.07117	0.2
219.17441	0.2
249.14703	0.1
255.06519	100.0
256.06931	0.7
259.09668	0.3
297.07748	0.2
307.06000	0.1
335.09338	0.1
341.19498	0.2
344.22214	0.6
372.29016	0.2
394.27515	0.1
415.12772	0.1
471.21741	0.2
503.24753	8.3
503.31766	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	502.4102
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68902	2.0
55.05506	7.6
57.03439	12.6
57.07077	25.0
59.04996	4.0
62.06970	2.3
63.59207	2.0
65.03910	2.4
67.05509	71.9
67.17464	2.2
69.07073	6.2
71.04974	2.6
71.08652	16.6
71.25409	2.2
71.25722	3.0
81.07066	16.7
82.08116	2.3
83.08627	13.7
85.10172	9.1
85.38741	2.0
91.05451	3.9
93.07041	3.0
95.08620	16.5
97.10146	2.5
109.10160	74.6
119.08594	4.4
132.60445	2.3
136.07516	2.2
137.09612	2.8
155.10645	5.8
173.11745	21.8
198.71930	2.4
215.87865	2.3
229.14354	100.0
239.23795	2.7
303.49078	2.1
313.27377	92.5
318.36490	2.0
467.37329	62.4
484.38043	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	503.1188
Annotation	Malonyldaidzin
Peak:m/z	Relative Intensity
53.03940	0.1
55.05490	0.1
67.01854	0.4
67.05486	0.1
68.99800	0.3
69.03414	0.3
70.91238	0.2
70.91592	0.1
72.66361	0.1
72.95289	0.1
77.81807	0.1
81.03417	0.2
81.07053	0.2
83.27296	0.1
85.02888	0.3
91.05489	0.2
93.07013	0.1
95.08615	0.2
97.02881	0.2
97.06535	0.2
97.07635	0.1
103.05468	0.6
105.03417	0.2
105.07021	0.2
107.08578	0.2
109.10146	0.1
119.08565	0.3
121.10168	0.1
123.04444	0.2
127.03928	0.1
129.03349	0.5
131.08585	0.2
133.10126	0.2
137.06013	0.1
139.03889	0.1
145.10143	0.2
146.10275	0.1
147.04382	0.5
152.60736	0.1
153.01836	3.1
157.10153	0.1
159.11688	0.2
163.03880	0.1
171.02919	0.2
173.13206	0.1
185.13309	0.1
187.07536	0.2
187.14874	0.2
199.14774	0.1
209.05977	0.5
213.05467	0.2
217.15840	0.2
231.06566	0.2
248.38524	0.1
255.06520	100.0
256.06912	0.8
273.41016	0.1
344.22009	0.1
376.89191	0.1
417.11816	1.2
449.30273	0.2
467.31549	0.3
478.91437	0.1
485.32629	0.3
503.11896	2.4
503.24054	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	502.3894
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	20.2
55.05504	4.3
67.05494	11.4
67.91158	3.0
68.05016	3.5
69.07058	9.0
69.30943	4.3
69.31350	16.7
70.06583	7.0
70.36335	2.8
71.04993	25.2
74.12125	2.3
79.05481	5.4
80.05011	3.1
81.07057	9.1
93.07027	3.5
94.06561	4.5
95.08556	3.1
96.08131	5.2
97.06551	26.9
98.05987	2.7
98.09698	12.1
106.06554	5.7
107.08551	3.2
108.08107	4.3
109.10157	4.1
118.06640	3.0
119.08572	2.9
120.08118	4.8
122.06033	15.3
124.07590	38.8
133.10124	2.5
136.07579	71.6
140.07060	28.2
146.68408	2.3
148.07568	3.7
150.46414	2.6
153.07925	3.0
155.60976	2.8
176.14352	4.6
194.15430	8.8
204.13818	13.8
222.14893	100.0
240.15916	5.1
313.27606	3.7
484.37921	74.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	502.1531
Annotation	Unknow
Peak:m/z	Relative Intensity
53.60379	0.4
53.98696	0.5
70.86810	0.7
70.87128	0.8
86.23014	0.4
91.81013	0.5
94.06567	4.2
107.55842	0.6
109.08483	0.4
116.04739	60.8
120.52911	0.4
135.60583	0.5
160.03699	100.0
176.01091	0.9
176.05533	0.7
177.28012	0.5
178.03491	0.9
220.04533	8.7
232.04565	1.2
238.05569	1.0
261.25180	0.6
280.06656	0.6
285.56091	0.5
354.71317	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	502.1712
Annotation	Unknow
Peak:m/z	Relative Intensity
54.61556	0.6
59.57858	0.7
67.05492	0.7
69.07063	0.7
70.06584	1.7
71.17296	1.3
73.02892	1.3
74.76989	0.5
77.46904	0.6
79.05473	1.1
80.71597	0.6
81.07066	1.3
85.02901	1.0
86.09731	0.7
91.05480	4.0
92.05779	0.9
93.07024	0.8
94.04171	1.6
95.04947	1.1
95.08552	1.1
97.02905	1.5
97.06530	0.9
105.07008	2.0
107.08582	0.9
108.08083	0.6
115.05408	1.4
117.07032	1.1
119.04926	3.0
119.08600	0.9
121.06513	0.8
121.10149	1.0
122.03620	3.1
122.06043	0.7
123.04430	2.0
130.04088	1.4
131.07112	0.7
133.10051	1.0
135.04405	1.9
137.05978	47.9
143.04890	0.8
143.08618	0.9
145.06453	1.4
147.04410	9.6
148.04759	5.3
149.05951	0.8
150.70427	0.7
151.03946	3.7
158.03618	2.5
160.00784	0.7
161.05972	4.2
162.06734	2.1
163.03886	7.1
164.04233	2.3
166.08630	2.3
168.06566	0.8
173.05981	4.6
175.03932	1.0
178.07713	1.2
186.03133	2.4
189.07011	1.8
201.05469	48.5
205.06496	5.5
206.07318	4.3
213.05423	6.2
214.06401	0.7
217.06502	2.4
218.07271	1.4
219.08035	0.8
221.05983	1.2
221.09572	0.7
222.06769	1.4
223.07619	0.7
225.41995	0.7
231.06508	3.0
233.05930	4.9
234.06764	14.6
235.07550	3.9
237.09119	2.8
244.05162	1.2
245.05983	3.0
246.06723	0.9
247.07597	1.7
248.08246	1.0
249.09068	6.0
250.06308	1.6
251.07021	2.7
259.07599	1.6
261.05496	2.0
262.06259	19.7
263.07040	2.9
264.07813	1.5
265.08597	5.7
266.09433	1.3
273.05539	5.4
274.06232	2.3
276.07913	2.6
277.08557	15.3
278.05832	1.7
278.09122	0.6
279.06552	2.2
287.06995	2.4
289.05020	2.0
290.02454	1.3
290.05737	26.6
291.06613	0.8
292.07239	2.9
293.08026	5.7
294.08875	3.9
295.09653	2.4
297.11740	0.8
304.07434	1.9
305.08075	44.3
306.08600	1.5
307.05997	2.8
307.09683	6.3
309.11166	2.8
310.08267	0.8
315.13388	2.3
317.14697	0.8
319.09558	4.3
322.08133	4.1
325.10721	20.3
328.73254	0.7
333.14569	1.0
337.10696	100.0
338.10867	1.0
355.11737	17.2
355.16086	1.0
376.64758	0.7
484.13577	0.7
484.20752	2.2
502.17322	2.5
503.20309	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.321
Annotation	Tomoeone B
Peak:m/z	Relative Intensity
51.50268	1.2
53.03940	2.2
54.09004	1.2
55.01871	2.5
55.05508	4.1
56.96531	1.3
57.03437	1.5
59.05004	1.2
61.02904	2.1
65.03967	1.7
67.05499	8.8
69.03417	5.3
69.07061	5.6
70.27392	5.5
71.04971	2.0
73.02924	1.3
79.05487	14.0
81.03402	5.6
81.07058	20.9
83.04975	3.6
83.08598	4.3
85.02900	2.7
91.05474	13.0
93.07047	13.9
95.04972	7.2
95.08612	11.6
97.02887	1.9
97.06541	13.6
97.10172	1.3
103.05434	1.7
105.07037	37.8
107.04940	1.7
107.08601	15.0
109.06536	9.2
109.10171	7.7
111.04444	3.8
111.08112	6.5
115.05443	1.6
117.07013	5.0
119.08583	22.5
121.06506	4.1
121.10151	12.0
123.04430	8.3
123.08082	2.9
123.11746	2.3
125.09583	1.6
127.03870	3.8
128.06238	1.7
129.07007	5.7
131.08557	20.9
133.06456	2.1
133.10127	13.5
135.04504	1.5
135.08061	2.5
135.11673	4.6
137.09579	2.7
139.03906	100.0
141.06921	1.4
142.07748	5.4
143.08568	13.0
145.06432	3.5
145.09064	1.7
145.10146	24.0
147.07979	1.7
147.11726	11.0
149.05994	3.3
149.09605	5.7
151.07539	1.5
155.08553	5.7
156.09325	3.2
157.10143	17.3
158.10869	1.8
159.08040	5.3
159.11681	30.1
161.05928	1.9
161.09608	2.6
161.13263	5.0
163.03917	16.2
163.07445	3.1
163.11229	3.1
167.08549	2.2
167.10701	2.4
168.09360	4.1
169.01234	1.3
169.10129	7.5
170.10930	2.8
171.11714	12.3
173.13246	26.1
175.11224	1.9
175.14865	6.6
177.12714	1.6
177.39531	1.6
181.10124	2.6
183.11696	27.3
184.12479	2.4
185.13281	12.8
187.11156	1.5
187.14859	7.6
189.16519	1.4
191.14273	2.3
193.10266	1.5
193.12173	2.9
195.11674	3.0
197.13303	10.2
199.11151	2.2
199.14775	11.6
201.12758	99.6
203.14276	2.9
205.12248	14.3
205.15881	1.7
207.11844	1.8
209.13333	3.1
211.13135	8.2
211.14873	3.5
213.12737	1.4
215.14278	5.7
217.12212	1.6
217.15869	7.4
219.13821	3.0
221.13338	1.4
221.15280	2.5
223.14883	3.1
225.16380	2.8
229.12279	1.5
229.15897	1.5
235.16945	5.0
237.16400	3.3
243.13786	3.7
243.17487	1.9
247.13301	80.5
251.06247	1.5
257.15353	6.0
309.18365	1.5
315.15851	1.7
333.16925	10.7
380.60336	1.4
395.39224	1.3
401.28284	6.3
419.29443	10.5
421.16376	2.4
429.27957	2.6
437.30341	5.4
447.28989	16.2
465.19427	15.8
465.30023	39.8
483.20618	13.0
483.31082	64.6
501.32840	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	501.3214
Annotation	6alpha-Hydroxylup-20(29)-en-3-oxo-27,28-dioic acid
Peak:m/z	Relative Intensity
54.25650	3.4
55.05515	14.3
57.55625	3.4
59.04998	5.1
62.21537	3.9
65.34202	3.3
67.05508	23.5
67.64739	4.1
69.07069	11.4
73.56394	3.5
79.05502	30.3
81.03410	6.4
81.07056	35.8
83.08621	6.7
85.06557	6.7
86.09708	10.5
91.05486	34.0
93.07043	38.1
95.08611	34.1
97.06558	6.7
99.08105	16.2
105.07038	65.8
107.04969	5.0
107.08594	72.5
109.06551	3.8
109.10155	22.0
117.07030	21.3
119.08585	100.0
121.06503	5.1
121.10147	25.3
123.08058	7.9
123.11691	4.2
129.07021	7.9
131.08582	67.6
133.06485	3.7
133.10161	55.8
135.11673	19.9
139.03909	7.6
143.08540	22.7
145.06419	4.4
145.10127	71.9
147.04451	6.7
147.08112	6.2
147.11679	57.3
149.09618	7.1
149.13219	5.5
157.10155	21.7
159.11714	42.8
161.09621	9.0
161.13245	36.5
163.03806	5.8
163.11261	4.3
163.14832	9.4
169.10229	6.0
171.11705	26.1
172.12543	6.5
173.13252	39.8
175.11317	5.7
175.14838	27.1
177.12852	4.6
177.16403	5.0
179.14342	11.5
183.11716	7.4
184.07372	10.7
185.13289	24.6
187.14833	72.9
189.12827	11.1
189.16400	18.2
191.14320	17.1
197.13286	5.4
199.14821	25.3
201.16403	54.5
201.18079	6.7
205.15897	5.5
207.13828	10.9
213.16371	7.4
215.14297	4.9
216.36566	3.9
217.12383	4.2
217.15764	5.1
219.13814	9.2
219.17522	14.2
227.17941	5.7
229.15804	7.5
245.15446	4.7
249.14941	7.6
319.24054	5.4
321.91141	4.0
373.28857	7.3
391.29828	21.1
393.31546	7.6
407.29529	11.1
409.31079	16.0
419.29486	24.9
437.30576	56.7
447.29163	4.4
455.31683	48.0
465.29739	13.2
483.31027	15.3
501.32513	19.2
505.39749	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	501.3215
Annotation	6alpha-Hydroxylup-20(29)-en-3-oxo-27,28-dioic acid
Peak:m/z	Relative Intensity
53.03947	3.1
55.05511	12.2
56.96564	2.0
57.07069	3.0
65.03913	2.0
67.05509	25.0
67.87024	1.9
69.03417	2.8
69.07068	11.6
70.52041	3.4
71.39874	2.0
74.33582	1.6
78.50549	1.9
79.05489	21.9
81.07059	37.7
83.04986	3.9
83.08612	7.1
85.02917	3.8
85.06537	3.2
91.05489	24.1
93.06490	2.3
93.07046	38.7
95.04967	5.4
95.08607	50.6
97.06531	4.4
97.10204	2.1
99.08099	16.5
103.05460	2.3
105.07035	65.7
107.08601	61.5
109.06506	6.8
109.10149	19.9
115.05388	2.5
117.07020	15.3
119.08583	100.0
121.06505	4.4
121.10136	29.0
123.08076	3.8
123.11688	4.9
125.05987	2.1
127.07591	2.7
128.06198	2.3
129.07001	9.0
130.07771	4.2
131.08572	65.6
133.10136	45.8
135.08047	8.7
135.11678	13.3
137.09608	2.3
139.03880	7.1
141.06990	2.7
142.07770	6.8
143.08562	28.7
144.09360	3.1
145.06462	2.5
145.10124	75.5
146.10757	2.0
147.08038	5.9
147.11678	37.5
149.05971	3.9
149.09535	3.6
149.13266	7.9
151.07462	2.2
153.09108	2.4
155.08528	5.2
156.09331	5.8
157.10118	29.2
158.10831	4.1
159.08073	2.7
159.10458	3.5
159.11694	46.5
161.09641	5.0
161.13258	29.5
162.61670	2.1
163.03862	2.7
163.07530	6.4
163.11203	4.5
163.14799	8.5
168.09378	3.0
169.10075	11.7
170.10892	6.0
171.11702	18.8
172.12411	2.8
173.09621	2.6
173.13261	45.7
175.07591	2.1
175.14807	28.6
177.09109	3.0
177.12743	2.7
177.16377	5.3
179.10944	2.1
179.14279	5.4
181.08575	3.2
181.10089	2.4
183.11720	15.3
185.13260	49.7
187.14830	86.0
189.12701	7.5
189.16391	13.1
191.14293	8.5
193.15886	3.0
195.11754	4.9
197.13297	10.6
199.11179	2.4
199.14839	37.9
201.12723	8.4
201.16385	53.8
203.14326	23.0
203.17899	4.4
205.12234	3.7
205.15895	6.0
207.12051	2.1
207.13802	10.3
209.13246	4.0
211.14803	8.4
211.69215	2.0
213.12743	4.6
213.16403	14.1
215.14331	8.7
215.17894	4.6
217.12228	2.0
217.15829	10.0
219.13808	19.4
219.17470	5.5
221.15382	5.2
223.14864	3.7
225.16345	5.1
227.14313	3.0
227.17863	9.0
229.07704	1.9
229.15877	2.4
229.19467	3.8
231.13817	8.8
231.17542	2.5
233.15334	12.9
235.16806	3.9
237.14705	3.5
239.17987	4.3
241.15771	2.6
241.19438	3.0
245.15324	12.9
247.16954	7.3
249.14804	18.4
253.19508	2.2
259.17023	3.7
273.18332	3.9
281.22607	1.9
307.24194	2.4
325.21591	2.2
337.69296	2.0
347.27341	2.0
349.21490	2.1
365.24799	2.3
373.28882	9.0
375.30460	5.1
383.26099	3.0
391.29987	22.9
393.31677	3.8
401.28482	10.1
407.29233	5.9
409.31021	12.2
419.24188	3.9
419.29483	49.5
421.30975	6.5
437.30560	57.0
439.32166	4.8
447.28931	6.0
453.29803	3.0
455.31647	23.2
465.30161	20.4
471.31116	22.2
483.31140	15.6
501.31833	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	500.3737
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	20.0
55.05503	2.6
64.46697	1.5
67.05514	8.3
68.05009	2.9
69.07085	7.3
69.20389	7.2
69.20814	6.9
70.02943	2.5
70.06596	8.3
71.05001	18.3
75.68427	1.5
77.60529	1.5
78.51540	1.4
79.05508	7.6
81.07054	6.2
86.06091	2.2
91.05488	2.5
93.07033	6.4
94.06596	2.9
95.08602	3.0
96.08137	4.9
97.06551	21.2
97.47005	1.6
98.06100	1.7
98.09688	12.7
98.21513	3.4
101.22708	1.5
106.06543	5.0
107.08569	3.8
108.08115	4.8
109.06548	1.7
109.10160	3.6
112.07604	2.0
119.08573	1.7
120.08118	1.9
121.10102	1.6
122.06040	18.8
124.07601	37.8
126.09217	1.6
129.38420	1.6
133.35617	1.6
134.09575	1.9
136.07588	69.1
140.07071	26.9
141.68602	1.6
148.07590	3.5
150.12827	1.9
152.06995	1.9
157.07596	1.5
176.14365	5.7
194.15337	7.1
204.13837	13.7
222.14902	100.0
229.14320	3.3
240.16008	3.1
283.26331	1.8
311.25851	2.4
377.58078	1.6
427.72699	1.5
482.36328	87.7
500.22641	1.7
500.46835	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	500.2753
Annotation	Unknow
Peak:m/z	Relative Intensity
51.24163	0.4
55.05521	0.9
58.09192	0.4
59.04986	0.7
67.05499	1.6
69.07059	1.1
71.52235	0.5
74.09707	0.4
79.05473	0.6
81.07037	0.7
89.06020	0.5
91.05466	0.5
93.07030	0.7
97.10171	0.6
98.06033	0.8
107.08595	0.6
115.03712	1.4
120.96617	0.7
126.60538	0.4
133.08571	0.7
145.99811	0.5
176.99245	2.5
195.00313	100.0
213.85114	0.6
236.02943	0.7
293.21078	1.2
306.27939	4.6
328.26212	1.3
346.26898	1.0
382.20108	0.6
444.23657	2.1
491.93234	0.5
500.27374	17.6
522.38452	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	500.2621
Annotation	Unknow
Peak:m/z	Relative Intensity
51.67667	0.3
53.03928	0.2
55.01892	0.3
56.05031	0.5
57.03412	0.5
58.06600	0.5
59.04993	0.9
60.08163	5.6
61.14542	0.3
67.05499	0.4
68.00458	0.2
69.76985	1.0
70.06591	0.7
71.07368	2.1
76.03973	0.3
79.05488	0.7
81.03414	0.3
81.07053	0.3
83.04994	0.3
85.76640	0.3
86.09708	27.9
89.03932	0.9
90.04255	0.5
91.05455	0.5
95.04966	0.5
97.02911	0.3
97.06524	0.6
98.98476	2.1
104.10757	2.7
107.04931	0.3
111.04459	0.3
113.63035	0.3
117.03388	1.4
117.09203	0.3
118.03741	0.7
121.10115	0.3
123.04443	0.4
125.00005	18.8
130.49152	0.3
135.04422	2.6
135.67287	0.3
136.04730	1.0
141.07014	0.5
145.02844	1.7
146.03151	0.8
147.04408	0.3
157.10120	0.3
160.05212	0.5
161.05927	1.3
163.03908	15.2
164.04240	5.1
165.07195	0.3
167.08586	0.4
169.06506	0.4
171.08136	0.3
173.06006	0.7
175.03958	0.4
184.07343	100.0
185.07681	0.3
185.09520	0.4
187.07509	1.4
189.09091	0.8
191.03279	0.4
195.08122	0.9
197.05995	0.5
200.04802	0.3
201.05518	0.6
203.07028	0.6
203.10443	0.3
213.05344	0.3
213.09125	0.8
215.07043	3.2
223.07574	1.2
231.10262	1.0
241.08600	3.1
243.10184	0.7
247.09628	1.0
259.09689	3.0
267.15903	0.6
273.11227	0.5
291.12408	0.4
319.08163	0.8
320.08417	1.2
432.21622	1.0
450.22482	10.0
454.18594	0.5
500.12643	0.6
500.18958	0.8
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
51.00769	0.4
52.75507	0.4
53.03954	0.9
55.01863	0.5
55.05513	0.8
59.04987	0.9
60.08163	3.3
67.05498	1.0
69.07069	0.6
70.06599	1.1
70.16654	0.5
70.16996	1.8
70.51778	0.4
71.07384	2.1
72.08144	0.4
79.05494	2.0
81.03429	0.5
83.04982	2.1
86.09704	22.2
86.36543	0.4
89.03926	7.3
90.04252	1.7
91.05487	1.3
93.03425	0.8
93.07053	1.7
95.04965	2.0
96.08126	0.7
97.06523	1.7
98.98464	1.6
104.10760	3.2
105.07063	0.6
107.04959	2.0
107.08620	0.7
111.04446	1.2
115.05509	0.5
117.03374	8.9
118.03722	3.1
119.08585	0.7
121.06522	1.1
123.04421	1.9
125.00002	15.3
129.06995	1.0
133.06494	0.8
135.04416	15.9
136.04752	5.8
137.06018	0.5
139.03874	0.7
141.07024	0.6
145.02855	13.7
145.04013	0.9
145.06468	0.6
146.03157	4.4
147.04431	0.9
157.10193	0.8
158.05971	0.6
160.05170	0.8
161.05980	3.6
163.03900	100.0
164.04243	32.2
167.03366	0.7
167.08565	1.4
169.06592	1.0
169.10080	0.6
171.07994	0.6
173.05992	2.8
175.03860	1.3
176.04579	0.5
177.05440	0.8
178.18970	0.4
184.07338	78.7
185.05975	0.8
185.09612	1.0
187.07571	2.8
189.05571	0.7
189.09120	2.1
195.08041	2.7
197.05998	1.2
201.05447	1.1
203.07053	4.7
203.10635	1.2
209.07742	0.4
213.05492	0.6
213.09071	3.5
215.07011	6.2
215.10612	0.9
217.08658	1.2
219.10266	0.5
223.07512	2.8
231.10158	2.9
234.11270	0.9
241.08607	9.7
243.10173	1.8
247.09648	2.0
259.09671	13.3
267.15829	1.0
273.11237	0.6
285.16724	0.6
319.08066	5.1
320.08493	7.4
327.80780	0.4
338.17050	0.5
348.14520	0.6
355.10153	0.6
432.21317	1.0
450.16632	0.8
450.22531	11.4
451.16989	1.0
469.18558	0.8
500.12637	5.4
500.22778	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	499.3263
Annotation	Unknow
Peak:m/z	Relative Intensity
50.83672	1.6
53.03948	2.9
55.01834	2.1
55.05515	13.1
56.05043	2.0
57.03439	12.3
57.07063	5.1
58.06606	2.2
58.07396	2.0
58.28675	1.7
60.08163	19.4
61.02931	23.4
61.08488	4.3
67.05138	2.0
67.05505	37.2
69.03433	17.4
69.07063	13.1
71.04984	2.9
71.07370	8.0
71.08633	3.7
71.52423	2.0
72.07698	3.3
73.02909	13.1
79.05497	13.0
81.03441	9.2
81.07053	35.5
82.07381	1.6
83.05001	2.0
83.08627	12.4
85.02905	29.1
85.06537	1.9
86.09710	52.5
87.10040	20.1
91.03946	17.3
91.05495	12.5
93.07047	15.8
95.04942	2.3
95.08607	33.5
96.34852	1.8
97.02892	22.9
97.10150	5.9
99.04449	4.4
101.02388	5.6
103.03939	4.0
104.10748	100.0
105.07019	9.8
105.10422	3.0
105.11069	38.4
106.11198	9.6
107.08585	10.6
107.11491	3.3
109.02872	4.8
109.06551	1.7
109.10158	14.8
111.04482	1.8
115.03928	3.7
117.07004	2.3
119.08584	8.1
120.41869	1.5
121.10158	9.6
123.11713	8.9
125.00012	21.5
126.00336	4.3
127.00451	13.5
127.03066	1.7
127.03913	10.0
128.00757	3.2
129.05435	2.3
131.08495	2.0
133.10150	8.1
135.11717	4.7
137.13174	2.4
139.11308	1.9
145.04953	2.6
145.10124	3.2
147.11694	5.7
149.13251	4.6
155.55853	1.7
159.06494	1.9
160.81102	1.9
161.13287	3.2
163.03963	3.8
163.14854	2.1
166.63535	1.9
171.06377	2.2
175.14732	2.8
180.11969	1.7
184.07341	65.2
185.07716	33.1
186.07797	39.7
187.08130	9.8
201.07635	2.2
213.27028	1.6
245.22659	4.8
263.23761	13.1
276.20456	1.9
337.27374	44.5
353.24829	2.3
371.25787	2.8
375.48636	2.1
442.61523	1.8
481.33777	14.9
499.34436	74.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.3591
Annotation	Unknow
Peak:m/z	Relative Intensity
53.63539	2.2
55.05509	7.7
57.07079	85.8
58.04211	6.1
59.05002	29.9
60.04529	2.5
61.35077	2.7
67.05502	10.6
69.07063	8.7
70.01772	3.5
70.02126	10.6
71.08237	5.1
71.08632	100.0
72.04729	2.3
72.05769	7.6
73.02912	3.9
73.06558	9.9
79.05488	7.4
81.07054	14.8
83.08628	6.0
85.10188	88.5
85.86827	2.1
87.04478	12.3
87.08117	3.3
87.57749	2.1
89.06026	18.5
90.01917	37.9
91.05499	5.1
93.07053	6.8
94.03588	2.1
95.08628	11.7
97.06516	3.0
97.10160	5.7
97.79411	2.2
99.11739	6.7
101.95049	2.2
103.07563	9.1
105.07027	5.7
107.08575	15.6
109.10165	11.8
117.09142	4.5
118.45560	2.2
119.08604	10.0
121.10146	7.7
123.11719	3.7
125.09640	8.8
131.08545	5.0
133.08592	6.4
133.10165	6.6
135.11736	6.5
141.16373	12.9
145.10139	10.0
147.11653	2.3
149.13316	2.7
159.11700	8.1
161.13258	6.6
163.03929	3.1
169.15884	6.0
173.13313	4.1
175.14847	3.1
178.07147	5.5
185.10634	2.3
185.19022	5.3
187.14799	5.3
198.19673	3.1
199.20576	12.1
201.16393	4.4
203.14433	2.6
203.17955	3.7
209.13686	2.6
213.16469	3.2
222.09679	4.6
243.23209	4.0
250.30626	2.3
266.12259	5.3
284.13434	10.7
328.15851	3.6
348.31036	5.0
421.34787	3.8
457.36804	2.5
499.35992	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	499.3784
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05517	12.2
55.60957	2.2
57.07074	19.0
59.04980	6.3
67.05183	3.5
67.05508	42.1
69.03425	5.6
69.07084	13.5
69.79385	14.1
71.08633	14.0
72.74734	2.4
79.05491	23.7
81.07058	63.8
83.04997	2.7
83.08617	8.8
85.10181	7.4
87.04461	3.2
89.06036	12.2
91.05481	22.8
93.06485	3.6
93.07048	54.0
95.08612	72.4
97.06533	11.4
97.10155	5.0
97.24264	2.1
105.07027	48.3
107.08595	80.1
109.06480	4.3
109.10161	100.0
111.08092	3.3
117.07002	8.4
119.08573	38.8
121.06486	2.5
121.10152	44.4
123.08062	4.4
123.11709	20.7
125.09641	19.2
129.07013	5.2
131.08580	22.4
131.91074	2.2
133.08609	9.5
133.10132	36.9
135.11687	29.1
137.09627	3.5
137.13205	3.4
143.08530	6.8
144.09323	2.6
145.09058	3.1
145.10139	30.1
147.11708	37.4
149.09608	6.2
149.13254	18.3
157.10144	7.8
159.11700	40.3
161.13257	22.7
163.03903	3.5
163.11169	5.6
163.14780	8.3
165.12726	3.1
171.11685	5.5
173.13275	17.4
175.14809	18.3
177.11253	4.5
177.16415	6.6
185.13261	7.6
187.14848	20.6
189.16385	21.9
191.14256	3.4
191.17899	2.4
193.15909	3.4
197.13297	3.7
199.14760	11.6
201.16385	30.2
203.14343	3.9
203.17998	21.4
205.15901	9.8
211.14851	3.4
213.16397	6.9
215.18044	14.6
217.15805	6.2
217.19518	9.5
219.17459	7.9
227.18062	5.8
229.19485	6.3
231.17532	3.5
243.21043	6.1
247.20325	2.4
253.19366	2.8
255.21184	3.0
257.22586	2.9
261.22079	2.4
269.22595	4.7
295.24164	5.4
313.25186	10.4
318.81335	2.4
378.92050	2.4
403.33533	6.1
421.34668	25.1
434.10413	2.6
439.35614	10.6
457.36899	14.3
481.36975	5.6
499.21246	4.8
499.37735	6.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.2541
Annotation	Unknow
Peak:m/z	Relative Intensity
50.94616	2.8
51.02363	3.5
52.95772	2.8
53.03945	9.2
55.01863	10.2
55.05518	20.1
57.03438	9.0
57.07069	4.8
58.85010	3.4
59.04992	5.7
61.02930	8.0
63.84216	3.1
67.05501	27.9
68.41775	3.0
68.99800	5.9
69.03436	35.2
69.07069	24.3
69.17670	13.0
69.18094	19.2
69.36761	3.0
71.05001	16.3
73.02930	5.2
79.05497	22.4
81.03431	29.6
81.07066	32.5
83.04966	6.3
83.08610	6.8
85.02908	69.4
85.06536	5.5
87.00835	18.5
91.05488	30.1
93.07047	29.1
95.04967	14.4
95.08617	81.5
97.02901	28.6
97.06537	11.4
97.10182	9.5
97.85282	3.2
98.20708	5.9
98.44937	3.1
98.97552	4.9
99.04459	9.7
99.08084	4.6
105.01871	14.4
105.07027	57.4
107.08605	56.6
109.02909	23.8
109.06517	6.1
109.10157	31.2
111.04453	3.6
111.08083	5.2
115.03923	8.2
117.03371	4.3
117.06976	9.5
119.08594	100.0
120.29380	3.5
121.06464	5.1
121.10162	26.5
123.04432	15.7
123.11739	19.1
125.09637	21.5
127.03918	30.1
127.11214	7.2
129.06976	5.5
131.08559	12.8
133.06451	3.5
133.10156	32.7
135.04425	10.9
135.08049	5.1
135.11720	18.9
137.06017	6.3
137.09633	9.5
139.03899	29.3
139.11169	10.6
141.07108	3.4
141.09120	4.5
143.08592	8.7
143.10696	11.7
144.05891	3.7
145.04994	16.0
145.06511	4.0
145.10144	20.3
147.08104	4.3
147.11703	71.9
149.06012	3.8
149.09712	4.1
149.13286	9.5
151.03920	5.1
157.10135	8.0
159.02913	11.5
159.08115	4.7
159.11700	25.6
161.05870	5.0
161.09615	8.0
161.13278	70.2
163.03911	40.3
163.07576	5.6
163.14810	4.7
167.10768	8.2
169.10236	4.1
171.11714	12.9
173.09634	5.6
173.13239	17.5
175.11234	4.2
175.14825	16.1
177.05481	8.6
185.13272	6.7
187.11116	5.4
187.14862	4.1
191.07018	9.3
191.10719	4.6
203.10707	5.3
205.08459	3.3
209.11650	6.7
211.14825	3.5
215.17926	19.6
217.19545	10.6
219.10164	7.1
231.05011	4.2
231.17267	5.9
233.08043	8.0
233.11797	5.0
233.19041	57.3
235.20618	4.5
245.19051	4.9
251.12915	4.1
251.20053	7.4
257.08099	5.3
267.15936	6.4
275.20108	4.3
331.59225	3.6
341.20963	4.0
455.22653	9.3
463.17560	3.9
481.17789	3.7
490.63535	3.8
499.21347	31.9
499.27545	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	499.2538
Annotation	Unknow
Peak:m/z	Relative Intensity
50.88790	2.3
53.03932	8.6
54.27127	2.0
55.01859	7.5
55.05510	13.6
57.03419	4.7
59.04985	5.0
61.02909	5.8
65.03925	3.0
67.05502	22.3
68.04025	2.1
68.99796	5.2
69.03434	26.6
69.06698	2.1
69.07048	12.0
69.38566	12.0
69.38979	4.9
70.04079	3.3
71.04993	16.2
73.02911	5.6
78.11002	2.0
79.05496	19.0
80.38737	2.4
81.03423	20.7
81.07053	24.7
83.04965	3.2
83.08608	4.8
85.02905	51.2
85.06528	5.2
86.37142	2.1
87.00827	17.3
91.05484	22.1
93.07051	23.9
93.51443	2.4
95.04970	11.0
95.08606	67.0
97.02887	20.2
97.06522	8.8
97.10175	8.6
99.04433	6.3
99.08091	4.5
103.05444	2.6
105.01880	14.0
105.07034	46.0
107.08603	63.0
109.02882	14.4
109.06496	4.0
109.10165	29.0
110.91358	2.4
111.04384	3.1
111.08090	5.8
112.88676	2.2
115.03944	5.4
117.06995	10.0
119.08582	100.0
121.06518	5.6
121.10141	23.7
123.04410	9.8
123.08055	5.0
123.11732	12.8
125.09644	21.8
127.03931	28.4
127.11163	5.6
129.06964	3.8
130.07808	2.9
131.08577	13.7
133.10121	29.2
135.04439	3.8
135.08049	8.7
135.11676	16.0
137.05960	4.9
137.09579	6.2
139.03905	18.1
139.11183	9.6
141.06952	2.8
142.07750	2.2
143.08577	4.9
143.10675	15.4
144.09308	2.7
145.02866	3.5
145.04938	7.1
145.10146	15.3
147.07994	4.2
147.11685	61.2
149.06171	2.5
149.13229	7.4
156.09303	2.6
157.10152	8.0
159.02872	7.0
159.08063	2.7
159.11713	22.0
161.06039	4.1
161.09602	3.9
161.11990	3.7
161.13264	60.7
163.03889	23.0
163.11243	3.3
163.14749	6.1
167.10670	2.3
169.10165	2.3
171.11678	12.2
173.09563	2.9
173.13275	17.7
175.07523	2.8
175.14783	11.4
177.05504	4.5
181.10011	3.0
185.09608	2.7
185.13307	5.9
187.11108	3.0
187.14804	4.4
189.12703	2.8
191.07083	4.8
191.10558	2.6
195.11624	4.2
197.13348	3.5
199.14854	4.7
201.05620	2.3
201.09163	3.4
205.19461	3.3
209.11673	3.2
213.12854	3.0
215.17972	23.8
217.19547	9.1
219.10078	3.6
227.17964	3.9
231.04988	6.0
233.08153	6.9
233.11664	3.8
233.19037	48.8
236.86168	2.3
245.19046	5.5
251.12622	3.4
251.20085	8.0
259.09482	3.1
287.04028	2.2
301.14188	2.4
302.87125	2.6
323.20151	3.6
341.20941	5.1
347.14816	5.3
455.22180	3.5
456.03513	2.5
463.17413	6.6
481.24045	2.8
499.21097	14.2
499.29770	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	499.1423
Annotation	Sodium methotrexate
Peak:m/z	Relative Intensity
55.44736	0.4
59.84048	0.3
64.07593	0.4
69.03431	0.5
71.44274	0.4
81.03442	0.6
85.02914	1.0
87.37503	0.4
100.89617	0.4
106.16667	0.5
175.03661	1.0
185.04245	0.6
203.05232	1.2
259.07721	1.0
268.45071	0.4
337.08966	0.5
347.09442	10.9
368.73511	0.4
499.14240	100.0
500.14590	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	498.4002
Annotation	Unknow
Peak:m/z	Relative Intensity
52.93692	1.4
53.00314	2.0
53.89292	1.2
55.05501	4.5
57.07077	94.6
59.04755	1.6
59.05004	20.1
67.05491	3.8
69.07058	5.4
69.16014	14.3
71.08633	97.2
76.64796	1.2
81.07048	3.4
83.08624	2.9
85.10183	93.2
86.09688	2.1
87.04484	6.4
87.10165	1.3
88.03994	10.4
89.06033	100.0
91.05479	2.5
93.07019	2.9
95.08588	6.7
97.10191	3.3
97.10825	1.3
98.98457	5.5
99.11733	12.2
103.07579	8.5
104.10715	1.8
106.05019	4.6
107.07108	1.6
107.08595	5.8
108.08906	2.8
109.10130	4.7
119.08538	2.7
120.08887	1.5
121.10156	2.8
122.10423	1.6
130.08656	4.3
131.07031	4.0
133.08607	73.2
134.10532	1.8
141.16385	9.8
146.10423	1.9
155.01042	3.5
159.11624	1.6
161.13286	1.8
163.14867	2.3
164.15233	1.7
175.09653	2.0
177.11238	47.5
184.07428	1.7
193.12209	1.6
195.12227	1.5
199.20566	17.3
201.16356	1.7
221.13879	5.3
230.19826	1.9
239.15039	3.8
243.23195	8.6
256.21396	2.2
262.18716	1.5
265.16486	4.3
271.60080	1.3
283.17532	42.4
292.27081	1.5
313.27393	13.5
323.20673	5.1
326.27005	1.5
327.16724	1.3
327.20090	5.2
341.21759	5.4
381.64716	1.4
392.33749	1.4
393.23853	2.7
434.42255	1.4
438.34308	7.1
452.35733	1.6
481.37390	18.1
498.35718	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	499.1214
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	0.9
61.33312	0.5
67.05505	1.1
69.03442	1.1
69.07064	1.0
69.42346	0.5
71.04988	0.7
78.72109	0.5
79.05508	1.7
81.03424	1.3
81.07059	2.0
83.08614	0.6
85.02908	1.3
87.08111	1.0
88.85558	0.5
89.03911	0.7
91.05467	5.0
91.19334	0.5
93.07059	1.7
95.04961	1.1
95.08623	1.4
97.02913	1.3
97.06552	2.0
97.13976	0.5
98.39265	0.5
102.66811	0.7
105.07021	1.7
107.04957	2.4
107.08613	1.8
109.02931	0.7
109.10149	1.3
111.04446	0.7
119.08606	1.4
119.30123	0.5
121.10139	0.8
123.04421	1.3
129.03136	1.3
131.08615	0.8
133.10121	0.7
135.04439	1.2
135.11739	0.6
139.03960	1.0
145.02840	0.8
145.10121	0.8
147.04370	0.5
157.10188	0.7
159.11745	1.2
163.03912	7.2
165.62450	0.6
173.13422	0.8
174.00861	0.5
175.11119	0.5
177.05394	0.6
185.04305	1.1
193.12270	0.9
219.10146	1.4
227.05298	2.5
233.08098	1.2
251.06818	4.3
271.04251	5.8
319.08884	0.5
347.08975	0.6
373.16608	0.7
377.08551	0.9
413.12112	3.7
455.13177	33.4
499.12131	100.0
500.12469	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	498.291
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.4
55.01862	0.7
55.05513	4.5
55.80360	0.5
56.55956	0.6
56.96555	1.2
57.03442	5.1
57.07074	0.8
61.02918	2.4
67.05506	26.5
69.03413	1.2
69.07071	3.5
69.11509	0.6
71.05006	4.5
73.02908	0.8
79.05489	6.8
81.03416	1.0
81.07059	41.3
83.04975	1.9
83.08628	4.3
83.09035	0.9
85.02917	3.7
85.06544	6.8
91.03943	1.7
91.05482	7.8
93.07046	13.2
93.07629	0.7
95.04967	1.2
95.08613	5.8
96.04460	0.8
97.02880	2.1
97.06534	5.4
97.10135	0.7
98.20741	1.6
98.97587	0.8
99.08065	2.7
103.03917	0.8
103.05476	0.7
105.07020	3.8
107.08591	6.7
108.04468	1.1
109.06499	0.8
109.10155	3.6
111.08078	1.9
116.98673	0.8
117.07012	3.0
119.08597	1.3
121.06522	5.0
121.10130	3.1
123.04405	0.7
123.11702	5.7
124.07536	0.9
126.05523	0.9
127.03905	1.1
131.08548	2.3
133.10121	9.0
135.04422	0.7
135.11678	1.8
138.05486	2.5
139.11194	0.7
144.45062	0.6
146.05951	0.6
149.13269	8.2
151.11182	2.3
157.10126	0.7
159.11687	13.8
161.13249	4.5
163.03906	3.6
168.06519	1.0
169.09996	0.9
169.12231	1.7
177.12752	20.4
177.14275	1.2
179.14320	10.2
187.13313	4.4
195.13791	3.2
204.08585	1.4
211.08589	1.4
225.10234	1.0
233.15450	1.3
239.11859	1.3
240.44199	0.6
243.15933	39.5
251.16412	5.3
253.09734	1.8
259.09644	2.7
260.10114	0.7
267.11340	2.6
269.17484	100.0
270.17868	0.7
285.12167	0.7
295.10834	1.7
301.20090	12.2
313.11844	8.8
331.04929	2.5
332.05194	0.8
341.11240	1.5
349.05991	0.8
361.20096	0.7
373.13959	26.8
445.24432	1.2
466.19797	0.8
498.22598	0.6
498.28653	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	498.2549
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	11.1
53.14513	2.6
55.01872	20.2
55.05516	36.2
57.03429	10.1
57.07082	3.8
61.02923	6.1
67.05504	54.8
68.02698	2.1
69.03415	8.0
69.07075	12.6
71.01345	10.2
71.04996	8.5
71.32484	2.2
71.44283	4.1
73.02914	16.1
79.05496	54.5
81.03422	71.2
81.07059	49.4
83.04984	40.3
83.08613	11.0
85.02894	20.9
85.06538	3.9
86.09707	4.9
87.04462	3.1
91.03953	6.5
91.05490	36.4
93.07050	42.6
93.11678	2.7
95.04967	18.2
95.08604	29.9
97.02895	40.4
97.06540	16.6
97.10180	11.4
99.04465	4.8
99.08128	2.3
105.07038	23.3
106.07372	4.3
107.04963	58.2
107.08598	32.7
109.02873	2.7
109.06542	4.4
109.10159	40.4
110.10494	2.9
111.04455	25.1
111.08081	10.1
117.07027	21.7
119.08595	30.0
121.06522	8.6
121.10165	20.8
123.04453	4.8
123.08058	5.7
125.09662	15.4
127.03918	5.2
129.07018	6.3
131.04933	2.9
131.08589	17.3
132.08844	2.9
133.10136	6.5
134.10437	2.2
135.04437	3.6
135.08124	5.8
135.11685	35.2
143.08568	5.8
145.06444	3.5
145.10132	42.3
146.10495	3.8
147.04466	2.9
147.06528	9.7
147.08054	5.5
147.11703	2.7
148.11940	2.7
149.09645	6.2
153.12749	45.9
155.08553	4.2
155.10715	5.3
157.10115	4.5
158.10425	2.7
159.11711	10.6
160.12038	5.0
163.03879	5.4
163.11189	84.6
164.11539	3.1
170.10474	2.3
171.11688	2.7
173.09647	20.7
173.11774	16.8
177.16338	3.0
181.12233	25.3
184.07368	11.1
189.16304	3.3
191.10703	23.4
199.14816	2.7
205.12167	3.4
207.04779	2.7
209.11734	25.1
217.07120	3.6
227.12859	15.2
229.14363	100.0
269.17511	4.3
277.10699	17.5
278.11130	12.8
283.15427	8.3
301.16489	8.3
315.12473	2.9
454.21365	4.2
480.28348	4.3
498.20563	5.8
498.21854	4.0
498.29282	14.9
499.21552	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	498.2549
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	10.1
55.01875	17.4
55.05514	40.0
56.96573	2.5
57.03433	16.1
59.05012	5.0
61.02915	7.3
65.03930	3.3
67.05505	81.3
69.03414	7.6
69.07060	18.9
70.06587	8.6
71.01345	11.3
71.04982	8.6
72.08143	2.1
73.02927	10.1
74.96764	1.9
79.05494	47.8
79.05919	4.3
81.03419	59.7
81.07059	47.0
83.04978	30.8
83.08607	15.6
85.02894	19.1
85.06535	7.6
91.03953	5.5
91.05477	35.5
93.07041	41.8
95.04980	18.5
95.08605	24.2
97.02887	38.5
97.06540	16.5
97.10170	13.4
98.97578	3.2
99.04443	3.3
99.08092	2.3
105.07047	12.9
107.04961	45.2
107.05636	3.9
107.08591	25.6
109.02840	3.7
109.06516	4.5
109.10161	65.2
111.04435	19.2
111.08086	9.3
111.11748	3.0
117.03365	2.3
117.07003	21.1
119.08588	24.6
121.06489	10.5
121.10136	20.9
123.04443	4.6
123.08077	4.4
125.06036	3.9
125.09617	13.6
127.03874	3.3
129.07025	6.1
130.07816	3.1
131.04912	3.6
131.08598	13.1
133.10149	4.1
135.04414	6.2
135.08072	6.3
135.11681	33.1
137.06044	3.1
137.09634	6.9
139.03845	3.9
142.47614	2.1
143.08560	2.4
145.02841	2.8
145.10123	33.7
147.04440	3.5
147.06557	3.8
147.08055	7.0
149.09671	4.9
152.14337	3.5
153.12756	36.4
155.08548	4.9
155.10646	6.5
157.06529	2.5
163.03915	18.7
163.11180	72.8
173.09607	12.1
173.11745	43.5
175.07576	2.1
175.82715	1.9
176.08434	3.1
181.12204	20.3
184.07283	2.7
191.03488	3.2
191.10672	23.1
194.07918	2.1
196.16992	3.2
203.06969	11.7
207.06679	2.5
209.11729	15.0
212.09251	2.9
227.12796	16.8
229.14365	100.0
235.86481	2.3
245.14958	2.4
249.14709	2.4
283.15442	8.1
300.93054	2.2
301.16406	13.2
319.07770	3.0
397.89951	2.3
411.20432	2.4
412.20331	4.9
445.20782	11.5
454.21146	7.6
456.05618	2.3
498.14105	3.2
498.20193	37.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	498.2546
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	7.5
55.01887	17.9
55.05515	40.9
57.03443	18.0
59.04995	3.7
61.02929	11.8
65.03966	4.3
67.05507	76.4
69.03436	11.1
69.07061	20.0
70.06586	12.6
71.01366	6.2
71.04989	9.2
71.52998	5.9
73.02912	12.0
79.05499	48.0
81.03423	57.6
81.07062	45.4
83.04981	39.5
83.08623	13.6
85.02901	20.6
85.06571	6.2
86.06108	3.9
91.03972	4.4
91.05476	33.1
93.07050	43.3
95.04978	16.9
95.08607	28.6
97.02906	37.1
97.06534	13.4
97.10185	13.0
98.97598	5.0
99.04456	5.0
105.07018	10.4
107.04956	44.9
107.08606	25.9
109.02897	6.0
109.10172	58.0
111.04449	16.0
111.08096	12.5
112.07590	3.7
117.07027	12.5
119.08570	25.8
121.06549	6.5
121.10136	23.2
123.08066	6.4
125.09641	15.4
129.06992	4.0
131.08553	10.8
133.10196	5.0
135.04416	5.9
135.11716	31.6
137.09671	5.2
145.10130	28.6
147.04457	4.5
147.06454	3.8
147.08061	6.6
153.12726	31.2
155.08618	8.1
155.10666	7.1
163.03902	21.0
163.11194	71.6
165.09117	4.3
173.09641	11.0
173.11716	36.6
175.03969	5.4
181.12248	18.9
191.10701	17.4
196.17107	6.5
203.07080	5.8
209.11728	8.9
227.12833	15.6
229.14345	100.0
229.16579	6.6
241.37650	4.5
243.11311	4.7
271.00909	3.8
274.51050	3.8
283.15616	6.2
294.02942	4.2
301.16394	5.4
303.13495	5.1
313.52322	3.8
445.21005	6.5
498.19669	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	497.3628
Annotation	Unknow
Peak:m/z	Relative Intensity
51.91709	2.4
55.05508	12.5
57.07077	7.1
58.06627	2.4
58.90998	2.4
60.08162	17.7
60.91453	2.5
61.07391	2.5
65.03944	4.0
67.05503	22.5
69.03429	3.5
69.07065	11.7
69.44215	2.5
70.60036	8.5
71.07388	5.8
71.08639	4.1
79.05501	17.4
81.07060	52.8
83.04980	9.8
83.08617	7.7
85.06573	2.5
86.09711	54.4
87.10033	10.4
91.05486	21.7
93.07041	33.8
95.08606	54.2
97.06526	8.8
97.10161	8.5
98.39471	2.4
98.98486	4.5
104.10749	94.9
105.07040	37.8
105.10470	4.0
105.11083	25.0
107.08597	46.9
109.06509	3.6
109.10151	34.1
109.82114	2.8
111.08092	2.9
117.07027	5.6
119.08585	32.4
121.10139	25.7
123.08112	6.0
123.11721	12.0
125.00008	31.0
125.09608	13.0
125.23782	2.7
129.07004	5.9
131.08546	15.8
133.10149	23.5
135.08092	2.7
135.11661	18.0
143.08568	9.3
144.09337	4.2
145.10144	29.6
147.11710	27.4
149.09636	4.4
149.13257	10.6
156.09464	3.2
157.10190	13.6
159.11710	34.4
161.13290	24.5
163.14755	4.1
169.10167	6.5
171.11710	11.5
173.13286	17.0
175.14825	11.8
177.12726	3.0
183.11681	3.3
184.07356	100.0
185.07748	22.4
185.13264	10.8
187.14919	15.6
189.16447	4.0
197.13315	4.9
199.14810	10.8
201.16396	19.4
203.14287	4.6
203.17920	3.9
205.15884	7.5
211.14856	4.7
213.16396	9.3
215.18018	8.2
217.15964	3.6
219.17491	8.2
225.16464	3.8
227.17970	4.9
229.15741	4.5
243.17729	3.1
259.20578	5.0
271.20819	3.2
295.24313	3.1
311.23517	3.3
313.24982	4.5
379.30014	9.2
419.33084	26.1
437.34305	25.0
455.35284	9.1
479.33481	14.9
497.34827	64.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.2902
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01891	1.9
55.05508	9.8
57.03445	3.4
57.07079	2.3
58.10577	1.4
59.04987	1.6
67.05500	13.0
69.03427	4.2
69.07087	7.1
69.33526	3.1
69.33923	11.1
69.64614	1.3
71.05009	1.9
73.02930	2.8
77.03916	1.9
79.05499	15.5
81.03436	6.1
81.07061	28.3
83.04987	5.5
83.08627	4.1
84.04453	1.7
84.08134	1.5
85.02911	5.9
85.06527	3.3
87.04482	4.0
90.18590	1.5
91.05479	17.9
93.07059	24.8
95.04977	3.3
95.08611	24.2
97.02912	6.5
97.06547	4.4
97.10182	3.1
99.04465	2.0
103.05473	2.0
105.07032	34.9
107.04963	7.4
107.08599	25.5
109.02843	1.8
109.06551	4.2
109.10172	17.5
111.04453	4.7
111.08117	4.5
115.05492	2.2
117.07027	9.4
119.08585	33.5
121.06492	3.8
121.10154	19.4
121.38850	1.5
123.08069	3.0
123.11681	7.9
125.09689	1.5
127.03952	2.1
128.06248	3.9
129.07011	9.4
130.07788	2.0
131.04913	1.6
131.08586	24.2
133.06503	1.6
133.10133	20.4
135.04381	1.5
135.08113	2.5
135.11705	9.1
137.06032	1.6
137.09662	2.0
139.03938	2.3
139.11205	1.9
141.07030	4.6
142.07817	6.8
143.08574	23.6
144.09389	4.1
145.06482	2.2
145.10129	32.7
147.08093	4.8
147.11691	18.7
149.09656	3.7
149.13292	11.7
151.03920	2.4
151.07549	3.0
151.11140	2.3
153.12762	3.6
154.07831	1.5
155.08580	5.5
156.09366	1.9
157.10147	23.3
159.08051	3.2
159.11697	50.3
161.09671	3.1
161.13277	13.0
163.03923	6.6
163.11188	21.5
163.14825	2.9
164.73767	1.5
165.09154	1.6
167.08560	1.9
168.09409	2.6
169.10114	12.9
170.10962	2.8
171.11685	12.7
173.09599	3.6
173.13271	9.1
175.11197	9.6
175.14859	11.8
177.05508	2.0
177.12785	3.9
177.16400	6.5
179.14336	2.6
181.10167	4.2
181.12271	2.6
183.11708	9.4
184.07458	1.7
184.12572	2.1
185.07991	1.6
185.09677	5.5
185.13287	7.8
187.11165	21.7
187.14839	14.1
189.16389	13.4
191.10657	3.5
191.14392	2.0
193.10260	2.0
193.15862	10.1
195.08110	2.7
195.11696	5.2
197.09689	4.5
197.13289	12.1
199.14864	11.9
201.12720	4.8
201.16415	6.6
203.10754	3.7
205.12245	4.3
205.15913	4.7
207.17513	6.3
209.13318	2.8
211.14882	3.8
213.09142	11.3
213.12695	2.4
213.16414	5.0
215.10641	9.7
217.15794	8.4
219.13843	2.3
221.13268	1.9
223.14960	2.5
229.12260	3.0
229.14166	7.1
231.10208	4.0
231.17227	2.2
233.11627	2.7
235.14873	2.5
241.08582	4.3
241.12209	1.7
247.13295	4.3
249.14522	1.8
259.09744	2.0
273.11264	2.9
277.10724	100.0
281.24768	2.0
291.12350	3.3
303.12408	3.5
305.13919	3.8
317.13730	3.2
343.15475	5.7
370.74271	1.6
371.18552	2.6
411.20078	1.6
415.26334	1.8
417.28198	2.1
423.21509	1.6
433.27454	3.1
437.22842	1.9
439.24680	6.3
453.21249	3.5
461.26898	2.1
467.28061	7.1
479.27936	24.6
497.19839	21.4
497.28915	47.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.1462
Annotation	Unknow
Peak:m/z	Relative Intensity
55.87909	0.5
63.61745	0.6
69.84806	2.4
69.85223	1.2
82.99837	0.8
86.00929	0.8
98.20883	0.9
100.02476	4.1
101.00871	3.8
101.90799	0.6
111.04083	2.2
112.02428	1.0
113.00840	1.3
117.02711	0.8
117.27112	0.6
118.03519	5.7
119.01936	4.2
119.09898	0.6
126.02764	0.7
127.02528	1.3
127.03537	5.7
129.05116	5.3
130.03506	2.1
131.01895	2.4
136.04572	1.6
142.03494	0.9
143.01878	6.9
144.03807	1.0
145.03450	2.9
145.04599	4.0
147.06140	2.2
148.04619	0.7
154.03493	4.6
155.01868	4.1
155.03085	2.9
156.05019	1.0
157.03465	1.9
160.04572	0.9
161.02982	4.7
163.03932	2.2
166.03566	0.7
167.01958	3.5
169.03499	0.8
171.04948	0.8
171.06177	2.8
172.04547	13.9
173.02922	2.7
173.04115	26.8
174.13316	0.7
179.01921	1.5
180.01378	3.1
184.04572	1.7
184.20634	0.6
185.02937	9.1
186.06117	1.5
190.03625	0.8
190.05576	1.2
191.05148	11.4
196.04576	1.1
197.02922	3.0
197.04218	2.1
198.02563	3.0
198.06270	0.6
203.04031	2.2
208.04570	1.4
215.05144	100.0
216.03523	2.6
216.05327	1.1
221.03035	0.7
221.05127	0.7
226.05478	0.8
227.05219	18.2
231.03360	0.6
233.06226	1.0
239.05122	7.0
245.05202	17.9
251.05191	0.9
257.06424	3.1
263.06082	2.6
269.06143	2.2
275.07266	20.2
281.06155	1.1
293.07294	0.7
299.07312	2.7
305.07211	2.1
317.08282	20.6
335.09351	19.0
365.09253	2.3
405.60358	0.8
407.11493	1.9
480.12103	1.1
497.14694	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	496.3398
Annotation	PC(16:0/0:0)[U] / PC(16:0/0:0)[rac]
Peak:m/z	Relative Intensity
56.05031	1.7
57.03440	0.5
57.07096	3.6
58.06602	1.4
60.08167	18.7
67.05509	0.9
70.68534	1.1
70.68886	0.7
71.07384	7.3
71.08638	2.7
73.87976	0.4
81.07061	0.6
84.58808	0.5
85.10165	1.1
86.09712	51.4
95.08618	1.1
98.98468	3.5
104.10750	100.0
125.00011	29.5
130.47954	0.6
140.72508	0.4
184.07352	91.4
258.10968	1.0
313.27371	1.7
475.85693	0.5
478.32986	8.7
496.34018	44.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	496.3786
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.0
55.05511	2.6
57.07074	1.4
60.04518	3.1
60.77419	1.0
67.05509	5.6
68.49237	0.9
69.07072	2.5
69.45634	6.7
70.06594	2.7
79.05479	6.7
81.07058	11.7
82.98730	0.9
83.04966	1.9
83.08627	2.2
91.05481	5.6
93.07040	10.3
95.04955	1.0
95.08602	10.8
96.08132	3.1
97.06515	1.2
97.10202	1.2
104.10745	1.6
105.07045	10.5
107.08598	16.2
109.10168	7.5
112.07596	1.5
117.07021	1.2
119.08572	10.4
121.10152	8.4
122.09674	5.4
122.58919	1.0
123.11736	3.5
129.60391	1.1
131.08606	3.9
133.10139	9.3
135.08101	1.4
135.11667	6.4
145.10123	7.1
147.11688	5.4
149.09650	2.1
149.13303	2.3
157.10117	1.8
159.11679	7.6
161.09737	1.4
161.13286	3.2
163.11163	1.3
163.14786	1.9
166.12317	3.9
171.11746	1.1
173.13124	4.7
174.76418	0.8
175.14857	3.4
177.16449	1.1
184.07388	1.1
185.13261	1.7
187.14825	1.6
189.16414	1.8
191.14296	1.2
199.14708	1.2
201.16460	5.5
203.14342	3.9
203.17957	1.8
213.16327	1.2
215.18045	3.0
221.15413	2.3
229.15892	1.7
246.53789	1.1
260.20273	1.2
274.21948	1.5
315.91290	1.0
357.27917	1.5
389.24487	1.1
416.07019	1.2
437.34317	3.4
454.36768	1.9
478.36819	2.7
496.37933	100.0
497.38257	1.5
510.72998	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	496.3789
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01844	19.0
55.05501	26.4
56.96548	19.7
62.98715	27.7
67.05494	67.9
69.07077	23.8
71.52378	17.5
79.05486	44.6
81.07047	70.9
81.74563	20.4
85.02936	28.6
91.05492	36.7
93.07020	76.2
95.08584	87.7
103.58551	20.2
104.10754	42.4
105.07033	67.7
107.08616	97.5
109.10151	53.2
111.08132	33.4
119.08569	74.7
121.10168	59.0
123.11692	35.8
133.10101	29.3
135.11697	19.5
136.93086	26.2
145.10158	35.3
147.11620	37.0
149.13268	52.0
154.94148	63.1
159.11694	26.2
161.13277	33.2
163.14822	68.5
172.95241	47.1
175.14828	39.4
177.16403	24.2
184.07349	46.6
186.50461	20.1
189.16364	51.0
198.11472	19.8
201.16357	22.1
203.17998	47.5
210.14522	20.1
210.96591	27.7
215.18018	28.4
216.11868	17.7
221.18964	21.2
228.97783	28.4
236.90112	20.2
351.23651	21.3
375.07413	25.1
409.34869	37.6
437.34061	39.6
455.64948	19.7
473.19720	100.0
496.34943	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	496.34
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05046	0.6
57.03425	0.2
57.07074	0.7
58.06636	0.5
60.08163	6.6
67.05501	0.4
69.07056	0.1
70.70011	0.3
70.70339	0.1
71.07375	2.7
71.08632	0.4
81.07059	0.3
83.08608	0.2
85.10190	0.4
86.09705	29.1
95.08597	0.3
98.98466	3.0
104.10742	3.1
109.10152	0.4
123.08112	0.1
125.00006	20.7
138.92970	0.1
143.01073	0.3
157.37454	0.1
164.99921	0.1
184.07339	100.0
185.07625	0.2
258.11148	0.2
313.27600	0.2
478.32697	1.0
496.33841	3.8
497.33514	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	495.2954
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.0
54.14138	0.5
55.01860	0.8
55.05501	1.8
57.03429	1.3
57.07075	1.0
61.02916	1.3
67.05505	5.9
69.03420	3.5
69.07056	2.0
71.04984	1.7
71.52894	0.6
72.08169	0.6
73.02924	1.0
79.05138	0.5
79.05501	5.6
81.03410	1.8
81.07056	18.6
83.04967	1.3
83.08617	1.2
85.02908	8.8
87.04461	0.6
89.42677	0.6
91.05487	4.0
93.07041	8.5
95.04976	2.3
95.08608	9.8
97.02882	3.7
97.06535	1.7
97.10131	0.8
99.04427	1.3
105.07033	6.0
105.09865	0.5
107.04987	2.9
107.08596	7.6
109.02901	1.2
109.06530	3.0
109.10153	5.8
117.07008	2.0
119.04916	0.6
119.08588	4.7
121.02856	0.5
121.06516	2.2
121.10136	5.7
123.08067	1.3
123.11698	1.1
125.09626	0.8
127.03926	2.2
128.06172	0.6
129.06999	1.7
131.08592	2.6
133.06505	0.6
133.10147	3.8
135.08060	2.3
135.11697	10.9
136.07516	1.0
137.09621	1.1
137.13240	3.2
139.03908	0.9
139.11157	0.7
142.07823	0.8
143.08571	2.1
145.04919	0.9
145.06517	0.8
145.10143	5.7
147.08022	1.1
147.11693	3.6
149.09584	1.6
149.13272	0.9
151.03860	0.7
151.07549	0.7
155.08598	1.8
157.10106	3.2
158.07237	0.6
159.08038	0.9
159.11697	3.1
160.08939	0.6
161.09566	2.6
161.13274	1.7
163.03902	2.3
163.11191	1.3
163.14851	4.1
165.12706	0.7
169.10118	1.5
171.11703	1.6
173.09621	9.3
173.13255	2.1
175.11180	8.9
175.14824	0.9
177.12828	0.7
181.10092	1.1
183.11734	1.5
185.13260	2.2
185.60135	0.5
187.11137	1.6
187.14789	0.6
189.12743	1.7
191.10699	11.4
191.14281	1.2
193.10161	0.6
195.11705	1.0
197.13225	1.4
199.03870	0.8
199.11230	0.9
199.14873	1.5
201.12749	2.3
201.16473	0.6
209.13268	2.4
211.14810	1.2
211.16757	0.6
213.12721	0.9
213.16286	1.0
215.14360	1.6
217.15990	0.9
219.13837	2.9
223.14835	1.5
227.14323	1.3
229.15987	0.5
237.16423	1.5
239.17926	1.3
241.15894	1.1
255.17464	1.3
257.19034	0.8
259.15204	1.3
269.22699	1.8
279.21140	4.1
293.17465	1.5
297.22095	10.3
303.06314	1.0
315.23193	100.0
316.23557	1.6
321.03677	0.6
333.04199	0.6
333.24249	9.6
333.28015	0.7
367.22855	0.8
385.23721	0.9
419.65399	0.6
477.28195	1.6
495.18683	3.1
495.29111	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	496.1813
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	3.3
55.01871	1.3
56.01553	0.7
57.03444	1.3
69.03430	9.7
70.06604	0.8
71.05012	0.9
71.52570	1.0
73.02937	1.3
78.03455	16.7
79.05485	1.0
80.05025	2.5
81.03422	16.9
83.23383	0.7
84.39072	0.7
85.02906	9.1
86.09710	1.4
91.05487	2.1
93.07005	1.4
96.04480	4.0
97.02893	5.4
98.97602	1.3
99.04459	3.4
103.05489	1.2
105.06989	0.8
106.02918	63.0
107.08617	1.4
109.02897	11.8
121.06506	1.8
123.04411	3.8
124.03957	100.0
127.03919	6.0
133.06450	1.6
136.03954	3.0
137.06007	5.3
139.03865	1.2
139.15813	0.8
140.03477	1.2
142.68930	0.8
145.04948	0.9
147.04431	1.0
149.05948	1.5
151.07530	0.9
152.04575	1.0
154.04993	1.2
161.06049	1.0
166.05035	3.2
167.07042	68.1
177.05428	1.6
179.07166	1.0
181.04988	0.9
181.08647	2.5
193.08624	2.7
194.10773	0.8
196.06105	0.9
211.09648	10.9
226.07164	3.4
229.10707	3.0
232.06123	3.7
241.08717	1.2
243.10237	1.2
250.07104	23.7
254.31950	0.8
268.08157	42.9
319.11804	1.1
358.10211	3.2
400.41434	1.0
441.10684	1.1
460.15762	0.9
478.16940	1.3
496.18277	12.5
496.25272	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	495.1977
Annotation	Unknow
Peak:m/z	Relative Intensity
53.51186	0.9
55.01667	0.9
55.05503	1.8
57.03428	1.3
59.04993	1.9
61.02924	1.2
65.03950	2.2
67.05502	1.8
69.03426	2.1
70.06586	1.0
73.02900	1.0
79.05492	3.0
81.05792	1.1
81.07060	2.2
81.22861	0.8
83.04991	1.2
83.08617	1.0
85.02903	3.4
87.04482	1.9
87.09895	1.0
89.92139	0.9
91.03922	0.9
91.05476	1.7
92.05007	3.0
94.06570	3.0
95.08596	1.1
95.64499	0.8
95.98451	0.8
96.08127	7.3
97.02913	1.9
97.06506	1.6
103.29418	0.9
105.07063	1.0
109.10175	2.9
119.08585	1.2
120.08089	3.4
122.06073	1.5
124.07606	5.7
125.09620	1.0
126.09167	13.2
133.06561	1.1
136.07581	2.4
138.05504	4.3
146.06053	1.1
148.03947	3.5
151.07494	0.9
152.07071	85.3
154.08595	1.1
161.06001	3.3
162.05502	28.6
162.06784	1.8
163.03922	3.0
164.07086	0.9
166.05011	53.9
175.07532	1.0
176.08313	14.4
177.05475	1.3
177.08971	0.9
180.06563	20.5
182.08232	1.7
190.05043	2.8
207.10167	12.2
208.06059	55.8
229.14407	1.6
229.42050	1.0
245.12981	2.0
257.04440	0.8
273.12363	5.9
287.13934	3.2
288.79559	0.9
305.14822	1.3
315.05020	1.0
315.13379	6.0
315.19574	2.8
333.14456	100.0
343.04648	2.0
354.11703	2.5
477.24542	1.1
495.14777	3.9
495.25909	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	494.324
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	0.7
56.05024	0.4
57.03428	0.2
57.07050	0.3
58.06607	0.5
60.08163	5.9
61.44991	0.2
67.05507	1.1
69.07052	0.8
70.06583	0.5
71.07368	2.9
71.52859	0.3
73.68440	0.2
79.05474	0.8
81.03404	0.7
81.07065	1.1
83.04958	0.4
83.08615	0.4
86.09705	28.3
91.05473	0.7
93.07035	1.0
95.04938	0.3
95.08595	0.8
97.10133	0.3
98.98470	2.4
104.10747	2.6
105.07010	0.6
107.04928	0.2
107.08566	0.6
109.10123	0.5
119.08571	0.5
121.10137	0.5
125.00004	20.2
125.09687	0.2
131.08556	0.3
133.10101	0.3
135.11769	0.3
149.02382	0.5
180.60764	0.2
184.07338	100.0
193.04965	0.7
211.13342	0.3
212.13600	0.4
227.12714	0.2
237.07530	0.4
284.29352	0.4
324.39548	0.3
413.78363	0.2
476.31314	1.0
494.32852	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	494.3243
Annotation	Vinylamycin
Peak:m/z	Relative Intensity
55.01867	0.3
55.05508	1.9
56.05025	1.2
57.03440	0.4
57.07077	0.6
58.06577	1.3
60.08165	16.1
67.05499	2.4
69.07074	2.0
69.38667	1.9
70.06600	0.4
70.49151	0.3
71.07375	6.7
79.05489	1.2
80.05815	0.3
81.03410	0.3
81.07065	2.2
83.08624	2.7
86.09707	49.1
91.05483	0.5
93.07034	1.3
95.04977	0.3
95.08613	1.5
96.08988	0.3
97.10162	0.5
98.21463	0.6
98.98468	3.7
99.08075	0.4
104.10744	100.0
107.08601	0.8
109.10226	0.3
121.10165	1.0
125.00008	27.6
125.09619	0.4
131.08597	0.3
135.11694	0.9
136.99947	0.3
152.43741	0.3
163.01578	0.7
181.02582	0.3
184.07339	94.6
193.04977	0.4
199.51265	0.3
222.09383	0.3
239.13890	0.3
258.11166	0.8
311.25793	1.5
476.31470	8.3
494.32465	37.9
495.32507	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	494.3244
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04052	0.3
55.05519	2.2
56.05027	1.1
57.03428	0.9
57.07072	0.6
58.06607	1.4
60.08166	17.5
63.44357	0.3
67.05499	2.3
69.07069	2.5
70.16226	1.6
71.07380	6.2
79.05492	1.4
81.07058	2.9
83.08621	1.7
86.09708	50.2
87.55733	0.3
91.05467	0.5
93.07047	1.6
95.08601	1.3
97.10178	0.9
98.98461	2.7
104.10746	100.0
105.07014	0.4
107.08566	0.9
109.10166	1.3
121.10138	0.8
123.11587	0.5
125.00008	30.2
135.11703	0.8
149.02396	0.7
163.01500	0.5
174.38173	0.4
184.07344	98.0
185.08063	0.4
193.05002	0.6
196.04610	0.4
237.07553	0.6
238.70882	0.4
258.11160	0.9
311.25870	1.5
322.11823	0.5
476.31528	9.1
494.32510	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	495.1478
Annotation	Unknow
Peak:m/z	Relative Intensity
54.43196	0.7
55.05508	4.2
56.40648	0.7
57.03412	3.7
59.05005	7.6
61.02921	4.4
65.03918	1.3
67.05510	12.6
68.05046	0.8
69.03432	3.8
69.07037	1.8
69.27246	6.5
70.06573	1.5
71.04980	1.6
72.08110	1.4
73.02889	2.0
76.34541	0.8
79.05531	4.6
80.05013	1.1
81.03387	2.3
81.07046	4.7
81.63366	0.8
83.04960	1.2
85.02902	8.3
85.06510	1.4
86.09689	1.3
87.04462	4.8
89.03871	1.1
91.03959	1.5
91.05489	4.3
92.04980	1.8
93.07034	1.7
94.06519	3.5
95.04919	1.2
95.08570	1.8
96.08124	5.7
97.02911	4.2
97.06483	1.3
97.10123	2.1
99.04421	1.4
103.05423	1.1
105.07006	2.4
107.08601	2.0
109.02856	1.8
109.06490	1.4
109.10162	8.8
111.04449	1.1
113.91682	0.8
115.05414	1.0
117.06942	1.8
117.86600	0.7
119.04852	0.8
119.08502	2.4
120.08117	5.9
121.06469	2.5
121.10133	1.5
122.06009	1.6
123.04378	1.8
124.07616	5.2
125.09599	2.7
126.09155	11.8
127.03877	2.9
131.04877	1.2
131.08525	1.0
133.06520	6.9
134.05949	1.1
136.07550	1.9
138.05475	3.5
139.03857	0.8
140.07040	1.4
145.02794	1.1
145.04861	1.0
145.06476	1.5
146.05940	1.5
146.07147	1.4
147.04381	0.8
147.07983	3.7
147.11659	1.1
148.03877	3.1
149.05913	1.1
151.07516	4.0
152.07069	72.5
154.08620	1.4
160.05096	0.9
161.05988	30.6
162.05505	22.7
163.03876	5.9
163.07475	2.8
164.06958	1.2
164.08255	1.2
166.05000	46.6
173.11662	3.2
173.12964	0.9
174.06783	1.1
175.07533	5.3
176.08330	100.0
177.05463	4.9
177.09106	7.6
179.10539	1.2
180.04962	1.0
180.06551	20.3
182.08084	1.0
183.06488	0.9
190.04921	3.3
192.07846	5.7
193.04948	1.8
207.10170	90.4
208.06059	43.4
215.06912	1.1
227.11519	1.2
229.14305	9.4
231.09787	1.1
238.10550	1.0
242.11639	1.1
243.04678	2.7
245.12697	2.7
251.11606	1.4
252.12238	0.9
259.09760	1.1
266.09949	1.4
269.12689	1.0
271.89160	0.9
273.12296	5.0
280.11353	1.2
287.03622	10.1
287.13828	3.8
294.09409	1.3
295.12848	1.1
297.18271	0.9
305.14941	1.2
315.13306	5.5
315.19385	2.7
326.11896	1.2
333.14453	88.2
336.10382	1.1
353.11047	3.2
354.11707	6.5
391.19772	1.1
409.14407	1.3
451.15500	7.7
495.14438	41.2
495.25616	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	494.1661
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	4.8
55.01881	4.2
55.05497	3.7
56.96548	1.3
57.03424	3.0
61.02921	4.0
62.08237	0.7
65.03924	2.2
67.05512	4.9
69.03432	10.2
69.07059	1.6
69.17774	0.8
71.04979	2.3
73.02923	4.0
79.05502	7.1
81.02990	1.3
81.03427	16.8
81.07072	5.7
83.04972	1.2
83.08607	2.6
84.04507	1.3
85.02910	29.9
87.00826	11.0
87.04471	0.9
91.05487	100.0
92.05823	1.6
93.07039	4.1
95.04977	4.8
95.08604	2.9
97.02894	28.0
97.06553	1.3
97.10167	0.8
99.04460	7.4
102.05581	1.3
105.01881	10.9
105.07024	3.7
107.04961	33.2
107.08583	2.3
108.08928	1.1
109.02895	8.3
109.06493	1.5
109.10171	2.1
111.04437	1.8
115.03892	1.1
117.01871	2.1
117.07030	1.0
119.04991	1.0
119.08584	2.6
121.06552	1.9
121.10155	0.9
122.10487	1.0
123.04454	1.6
125.09637	1.0
127.03926	25.0
129.01843	1.9
129.07037	2.0
130.04968	0.9
131.08530	1.4
133.06456	0.9
133.10086	1.3
135.08051	1.0
135.11554	0.8
137.09630	1.4
138.49026	0.8
141.06773	0.7
145.04965	18.3
145.06250	1.2
145.10175	2.0
146.10440	1.6
147.11755	1.1
149.05994	1.8
149.09630	1.1
153.09102	1.0
157.10129	1.2
159.02907	7.3
159.11749	1.2
163.03831	1.0
163.11108	1.5
164.11497	1.1
165.09126	15.7
166.09489	6.8
182.77510	1.0
187.11246	1.4
193.12286	1.4
194.12581	1.5
209.11678	1.1
211.13292	2.0
213.03825	0.9
215.07002	1.7
215.10646	1.7
227.12781	2.6
228.13016	1.4
229.08839	1.8
231.04980	3.5
247.13268	1.0
262.46677	0.7
267.15695	1.7
268.16284	1.6
283.15445	1.0
341.34961	0.9
402.23538	2.4
442.88297	0.9
476.27454	5.9
494.28168	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	494.1868
Annotation	Unknow
Peak:m/z	Relative Intensity
51.06856	0.8
53.03937	1.8
53.12150	0.8
55.01865	1.0
57.03440	5.5
61.02928	9.8
69.03092	1.2
69.03433	15.1
69.33677	7.0
71.04984	2.1
73.02925	4.1
81.03426	6.2
83.01331	0.9
85.02908	100.0
87.04467	2.0
87.76221	0.9
91.03946	4.5
97.02292	1.4
97.02896	23.1
99.04450	4.8
101.02350	0.9
109.02883	9.9
115.03986	0.8
115.26223	0.8
121.02875	23.8
127.03922	28.0
127.16000	0.7
137.61446	0.8
145.04967	43.7
146.03647	0.8
153.05478	33.2
153.06734	1.6
163.06020	20.2
284.32898	0.9
325.11362	1.3
357.74921	0.9
443.34033	0.7
494.16580	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	494.2237
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	1.5
54.61903	0.9
57.03439	10.1
59.04988	1.8
60.04517	2.2
61.02921	1.9
69.03434	33.5
69.37453	7.8
70.06590	5.2
72.08134	2.7
74.06085	0.9
75.04446	1.5
79.05497	2.1
81.03415	2.8
83.04979	1.0
84.08136	1.3
85.02908	24.5
86.09696	1.3
87.04001	1.6
87.04477	20.8
91.05481	3.2
95.04932	1.1
97.02894	27.1
98.21483	1.5
99.04454	1.5
103.05479	2.4
105.07014	4.0
107.08567	1.5
109.02911	1.8
111.04440	1.6
113.95356	0.9
115.03938	27.6
119.04948	2.6
119.08618	1.4
120.08083	2.8
121.06501	1.8
122.02362	1.4
127.03921	4.5
129.06981	1.4
133.04031	1.7
133.04976	28.1
133.06497	3.8
134.07262	2.2
135.04411	3.8
135.08026	3.1
136.06163	1.2
136.07536	1.2
137.05974	3.9
139.03912	2.1
139.11337	1.0
145.02834	1.7
145.04953	2.9
147.04428	5.7
147.08026	1.6
149.05925	1.8
150.06636	11.1
150.07652	6.1
151.03934	1.0
151.07500	1.5
152.06964	1.3
154.04990	4.4
162.06720	1.9
163.03868	2.7
163.07545	3.6
164.08321	3.4
165.09119	100.0
166.04875	1.6
168.07808	1.7
177.05519	2.2
177.09056	1.8
179.10666	15.3
183.10178	43.4
188.07059	2.4
189.09085	2.6
192.07816	4.6
193.08630	8.5
195.10124	3.2
201.09045	1.2
202.24069	0.9
203.10672	2.0
205.10042	1.4
207.10175	32.5
208.06071	1.2
219.10136	1.4
231.10144	1.4
233.11682	3.7
237.02922	1.5
241.07040	1.4
249.11235	7.6
259.08185	1.8
261.11191	10.1
271.06400	1.0
277.09351	1.6
279.12332	12.7
280.08084	1.1
291.12350	1.6
295.10236	1.6
305.21103	1.1
309.13223	1.6
313.11771	1.3
323.09155	1.0
333.14575	2.5
356.11133	1.5
373.13910	2.1
401.34811	1.0
408.65817	1.0
494.23914	2.3
513.75360	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.3371
Annotation	Unknow
Peak:m/z	Relative Intensity
50.57635	3.8
52.64794	3.4
55.05491	10.1
56.96553	4.9
57.03429	4.3
57.06800	3.8
57.07074	59.6
60.66372	3.3
61.02919	5.5
67.05514	22.6
69.07072	18.6
69.55716	4.8
70.51278	3.7
71.08625	40.7
79.05486	7.8
81.03412	3.8
81.07057	32.4
83.08610	21.8
85.10186	25.2
85.65745	3.3
88.87743	3.2
91.05461	7.5
93.07051	5.5
95.08615	37.5
97.10168	8.5
98.97586	3.8
105.07046	4.7
107.08590	8.5
109.10158	21.6
119.08522	4.2
121.10153	4.0
123.11700	7.4
125.13251	4.0
131.00168	4.0
131.08565	5.2
149.01248	4.8
163.11325	4.6
195.60529	4.3
219.05197	4.8
229.53511	4.1
239.23688	47.6
266.14502	4.2
269.35712	3.6
277.48730	3.8
313.27362	100.0
331.28586	4.8
341.17734	4.5
347.17258	41.1
367.68631	5.2
493.27829	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	493.3374
Annotation	Unknow
Peak:m/z	Relative Intensity
50.32037	0.7
55.05289	0.7
55.05510	6.0
57.03444	3.7
57.03671	0.8
57.07077	47.6
61.02920	1.0
64.24805	0.6
67.05186	1.0
67.05506	14.2
69.07077	6.6
69.29819	0.7
69.37477	1.5
69.37889	4.5
71.04990	0.6
71.08633	38.0
73.02917	1.0
75.04469	2.8
79.05477	1.7
81.03390	1.3
81.06592	1.1
81.07054	18.3
83.08621	13.8
85.02888	2.3
85.06541	0.9
85.09656	1.3
85.10181	23.4
89.06012	1.2
90.77740	0.7
91.03999	1.0
91.05475	2.0
92.45820	0.6
93.07030	2.5
95.04944	1.1
95.08610	31.3
97.09619	1.0
97.10178	9.0
99.11720	0.7
105.07024	2.3
107.08557	1.3
109.09469	1.1
109.10163	14.3
111.11704	2.2
117.06995	1.1
119.08571	1.4
121.10136	0.8
123.11689	5.0
125.13258	2.5
131.08594	1.2
133.06496	0.9
133.10138	1.1
135.11635	0.9
137.13269	3.3
139.14836	1.2
139.90834	0.6
142.63425	0.7
147.11668	1.0
151.14793	1.3
221.22661	1.7
233.66911	0.7
239.23692	41.8
257.24869	3.8
281.19016	2.1
298.27374	1.6
313.27368	100.0
331.28506	4.4
360.48242	0.7
493.32782	3.7
493.39069	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	494.1659
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01598	0.5
51.02373	0.8
51.18777	0.3
53.03942	1.2
55.01862	0.6
57.03437	0.6
61.02929	0.6
65.32301	0.3
67.05511	0.4
67.11984	0.2
68.99793	0.6
69.03439	4.6
70.03539	1.2
71.04993	0.5
73.02914	1.1
78.03456	2.8
81.03424	3.7
83.04980	0.3
85.02907	8.6
87.00834	2.6
91.03973	0.3
95.04986	0.4
96.04495	100.0
97.02895	2.5
99.04430	1.4
103.03934	0.4
105.01886	1.9
109.02879	6.2
117.01806	0.5
123.04425	0.6
127.03915	6.6
129.01822	0.7
136.07625	1.3
145.04947	2.1
151.07555	1.6
155.19867	0.4
159.02924	1.6
167.07089	0.3
187.06065	0.7
231.05013	1.2
245.15204	0.3
246.11275	6.6
292.94208	0.4
293.64142	0.3
376.00168	0.3
408.16663	1.0
450.17444	0.6
494.16626	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	493.3165
Annotation	Unknow
Peak:m/z	Relative Intensity
51.98830	2.6
53.03942	8.8
55.01868	12.1
55.05510	49.1
57.03427	6.8
57.07058	3.9
59.04988	9.9
60.39479	2.8
64.21816	2.8
64.97108	3.0
65.03925	5.0
67.05508	87.8
69.03426	6.5
69.07073	23.5
71.05006	19.4
71.34084	3.3
73.02898	2.9
79.05496	75.4
80.05836	3.6
81.03417	63.5
81.07056	85.2
83.04978	27.4
83.08620	39.0
85.02896	5.4
85.06525	8.4
91.05483	77.8
93.07044	74.8
95.04976	32.2
95.08614	43.4
97.02918	4.6
97.06516	14.2
97.10162	27.0
99.04448	3.4
105.07034	60.1
107.04956	16.4
107.08601	41.9
109.06523	14.2
109.10163	22.4
111.04443	13.2
111.08080	16.0
115.05463	3.2
117.07047	25.6
119.04964	3.4
119.08582	51.4
121.06539	17.5
121.10152	28.6
123.08048	9.9
123.11729	4.2
125.09647	24.6
128.06224	5.6
129.07016	23.9
131.04913	4.0
131.08577	47.7
133.06488	10.3
133.10138	24.8
135.08109	15.2
135.11684	20.2
137.05923	3.5
137.09598	8.3
141.06995	8.0
142.07735	4.6
143.08556	20.2
145.06488	10.7
145.10146	27.7
147.04424	4.5
147.08032	13.1
147.11702	23.0
149.09648	19.1
149.13181	3.2
151.11223	3.4
153.09154	7.1
153.12727	13.7
155.08548	12.4
157.10135	25.0
159.08022	6.2
159.11673	13.6
161.09642	8.0
161.13280	6.3
163.11189	15.2
165.12691	4.0
169.10104	5.7
171.08076	3.5
171.10388	3.0
171.11662	14.1
173.09642	4.5
173.13127	4.6
175.11191	13.1
175.14861	7.3
177.12741	4.8
179.10733	3.3
180.80972	2.9
181.10103	4.9
181.12207	11.5
183.11644	6.7
185.09689	3.6
185.13239	7.3
187.11266	5.1
189.11240	13.8
189.12715	3.8
191.10593	10.8
193.12267	33.1
197.13324	5.3
199.14795	5.6
201.12747	4.1
203.14375	7.6
207.11935	3.2
207.13852	5.9
209.11644	4.4
211.13232	25.0
211.14914	3.5
217.15886	9.3
219.13823	3.2
221.15361	7.1
227.12810	24.6
231.13835	3.7
239.14377	4.6
249.14893	10.3
255.09326	3.4
267.15918	19.7
283.15381	17.6
333.22134	3.6
341.24704	9.3
351.23349	15.6
355.22684	4.0
359.25967	3.2
365.21130	4.5
369.24274	22.5
373.23065	4.4
383.22125	7.7
387.25491	16.0
401.23209	10.6
405.26175	7.8
419.27948	3.9
431.27838	3.6
433.29550	4.9
435.27594	7.9
437.28885	18.0
443.28052	27.9
461.29001	68.6
475.26117	33.3
493.31311	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.2799
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02380	2.0
53.03932	7.4
55.01875	9.9
55.05513	21.5
57.03440	14.2
57.91362	2.3
65.03931	6.2
67.05506	39.5
69.03423	4.3
69.07071	13.4
71.04993	6.8
73.02886	2.4
79.05068	3.6
79.05499	44.4
81.03423	100.0
81.07066	34.3
82.63049	2.5
83.04981	23.1
83.08619	26.4
85.02899	5.9
91.04973	3.4
91.05486	34.1
93.07049	42.3
95.04964	30.2
95.08605	25.0
97.02878	7.2
97.06528	9.8
97.10179	9.0
98.21564	4.3
99.04461	4.3
103.05502	3.1
105.07025	19.7
107.04955	19.2
107.08597	29.4
109.06510	6.7
109.10175	12.4
111.04449	17.0
111.08102	15.3
117.07016	9.0
119.05028	3.3
119.08582	27.5
121.02863	4.3
121.06510	9.5
121.10155	14.8
123.04437	4.0
123.08085	4.3
125.09637	5.3
129.06987	10.9
129.84312	2.4
131.08568	12.7
133.06477	4.6
133.10127	9.4
135.08070	6.4
135.11690	27.3
137.09610	3.7
142.07831	4.0
143.08600	3.0
145.06541	2.3
145.10121	22.8
147.04424	3.8
147.08034	5.7
147.11690	13.4
149.09650	5.3
153.09077	3.3
153.12726	13.9
157.10135	14.8
163.03793	2.8
163.11185	34.4
165.08954	2.4
165.12720	2.9
173.09683	2.7
175.11197	9.3
177.26404	2.0
181.12238	15.3
189.11249	5.0
191.10648	9.4
193.12273	32.3
209.11719	11.8
211.13292	26.7
220.31071	2.4
227.12790	66.0
231.13828	2.6
247.13333	9.0
249.14787	8.7
258.89114	2.4
267.15918	78.1
283.15408	46.9
313.18347	2.4
321.16483	2.7
355.22546	2.6
365.21091	2.5
383.22144	8.9
401.23221	12.9
475.26917	79.2
493.28012	63.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.2798
Annotation	Mucronine B
Peak:m/z	Relative Intensity
53.03927	8.7
55.01876	13.3
55.05508	28.7
57.03440	13.5
63.64570	2.5
65.18056	2.3
67.05508	49.7
69.03415	6.9
69.07076	12.8
69.38615	18.2
71.04973	6.5
77.03952	4.0
79.05494	51.0
81.03421	95.5
81.07056	44.8
83.04978	30.0
83.08623	34.2
85.02891	4.0
85.06525	5.2
91.05490	43.0
93.07050	38.7
95.04964	32.6
95.08617	25.8
97.02869	8.3
97.06512	9.6
97.10181	19.6
99.08098	3.6
105.07030	35.2
107.04967	20.1
107.08606	26.0
109.06499	8.0
109.10139	11.9
111.04455	26.0
111.08087	15.0
117.07015	14.7
119.04949	5.5
119.08602	34.0
121.02831	3.4
121.06479	17.4
121.10142	20.0
123.04428	5.9
123.08028	6.5
125.05973	3.2
125.09632	15.4
129.07005	20.2
131.08572	18.7
133.06474	11.8
133.10130	10.6
135.04448	4.1
135.08054	8.2
135.11707	19.7
137.09601	6.5
142.07693	2.5
143.08543	3.2
145.06471	7.9
145.10143	15.1
147.04436	3.7
147.08038	8.1
147.11682	9.7
149.09628	12.5
153.09155	6.1
153.12772	25.1
155.08598	3.0
157.10153	17.5
159.08058	4.5
159.11716	3.7
161.09657	4.1
163.11159	23.3
165.12810	4.4
171.11754	4.6
173.09647	5.0
175.11211	16.4
181.10164	2.2
181.10861	2.5
181.12181	15.6
183.08035	3.0
185.13237	7.4
189.11218	12.6
191.10735	15.6
193.12254	45.6
201.12776	3.9
203.14293	4.1
209.11743	10.0
211.11389	3.0
211.13264	52.1
213.12761	2.9
219.13930	2.6
221.15338	4.0
227.12798	38.2
231.13844	4.1
231.52007	2.5
232.14536	6.4
247.13295	5.5
249.14859	14.2
267.15939	47.7
283.15408	32.0
337.21579	4.6
355.22693	7.5
365.21054	7.3
373.23700	5.1
383.22168	17.4
401.23322	22.6
419.24307	5.6
420.63654	2.5
457.25931	6.7
458.26733	12.5
473.46002	2.9
475.20163	4.6
475.26938	78.7
476.27423	5.3
493.27899	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.2798
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	9.7
53.66659	2.6
55.01875	20.9
55.05512	37.6
56.98772	2.2
57.03446	13.8
57.07086	2.9
61.66098	2.2
65.03934	6.6
66.66547	2.5
67.05508	79.8
69.03428	9.0
69.07065	12.4
69.31920	19.8
71.04987	6.8
73.02885	2.6
79.05495	44.9
80.41615	2.2
81.03420	99.2
81.07059	48.9
83.04984	32.9
83.08632	34.6
85.02911	9.6
85.06533	4.1
91.05482	43.2
93.03385	3.1
93.07047	43.1
95.04971	42.6
95.08626	23.8
97.02893	8.2
97.06535	10.9
97.10188	22.0
99.04469	3.6
99.08103	3.9
103.05505	4.3
105.07029	30.0
107.04970	36.6
107.08588	33.4
109.06509	9.0
109.10167	29.7
111.04446	23.2
111.08094	15.5
117.07030	19.0
119.04955	4.8
119.08584	22.7
121.02852	17.7
121.06526	15.9
121.10136	18.7
123.04446	8.0
125.09618	16.0
129.07008	17.7
131.08572	24.5
133.06502	9.5
133.10146	10.8
135.04401	15.9
135.08095	7.8
135.11717	23.1
137.06059	3.4
137.09645	5.4
141.06973	5.3
142.07808	3.9
143.08562	6.6
145.06483	5.7
145.10130	16.3
147.04454	6.5
147.08080	8.3
147.11684	9.8
149.06035	4.0
149.09644	10.8
153.09109	4.2
153.12744	18.4
155.08559	8.4
155.10620	2.6
157.10141	12.5
159.08212	3.4
159.11691	3.4
163.11194	29.6
173.09633	6.7
173.11784	3.9
173.13278	2.7
175.11186	13.6
181.12230	19.2
185.13348	4.3
187.11264	4.3
189.11261	6.8
191.10692	17.9
193.12260	36.1
197.13483	2.2
201.12762	6.3
205.12312	2.9
209.11728	21.0
211.11279	4.2
211.13240	34.2
219.13901	8.6
227.12788	51.6
227.14919	3.5
229.12238	6.3
229.14429	12.8
231.13846	3.1
241.61575	2.6
247.13301	46.3
249.14853	11.9
259.13364	4.8
265.14325	5.1
265.91263	2.4
267.15933	40.2
283.15411	33.1
321.17062	9.0
337.21674	4.4
355.22617	5.1
365.21204	6.7
383.22235	16.2
401.23254	17.5
419.24442	5.5
457.26230	6.2
475.26926	99.5
476.28387	3.0
493.27997	100.0
493.35168	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.2809
Annotation	Mucronine B
Peak:m/z	Relative Intensity
55.01863	0.3
55.05513	4.5
56.05048	0.3
57.03428	0.3
57.05817	0.6
59.06338	0.2
65.03925	0.2
67.05518	1.1
68.98671	0.2
69.07076	0.5
72.08155	46.4
78.74635	0.2
79.05487	1.2
81.03418	1.7
81.07065	0.9
83.04976	0.5
83.08621	0.6
86.09697	0.4
91.05475	1.6
93.07047	1.7
95.04981	0.8
95.08623	0.6
97.06544	0.3
97.10190	0.5
98.20651	0.5
103.05460	2.1
104.10754	0.8
105.04511	0.3
105.07034	0.8
107.08601	0.7
109.10141	0.5
111.04438	0.6
117.07027	0.5
119.08572	0.7
120.08105	100.0
121.06516	0.5
121.08469	0.3
121.10158	0.4
125.00047	0.3
125.09637	0.4
126.12802	0.3
129.07010	0.5
130.06490	0.3
131.08549	0.6
133.10127	0.5
135.07971	0.2
135.11691	0.5
145.10123	0.3
147.11703	0.3
149.09569	0.2
153.12814	0.3
156.50853	0.2
157.10121	0.4
163.11154	0.5
171.14931	8.1
174.12788	2.7
175.11284	0.3
181.12158	0.3
184.07358	0.8
185.07614	0.2
191.10822	0.3
193.12248	1.0
199.14429	6.5
211.13297	0.8
219.14931	18.5
222.12761	0.7
227.12744	0.6
247.14432	18.7
267.14896	8.9
273.19702	1.1
283.15433	0.4
295.14410	12.7
301.19125	3.5
321.19604	0.8
328.20126	0.3
346.21255	8.8
349.19119	2.3
374.20575	0.4
383.21951	0.4
389.25714	0.3
394.21246	7.2
401.23184	0.3
413.75067	0.2
448.25793	0.8
465.28711	1.5
475.26755	0.9
493.27435	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	493.2436
Annotation	Unknow
Peak:m/z	Relative Intensity
52.55865	2.8
53.44305	2.8
55.01873	4.5
55.05510	4.6
57.03424	13.0
67.05492	13.2
67.29955	2.9
69.03426	6.1
69.07050	5.2
69.52855	18.0
71.04996	78.6
73.02938	4.2
79.05484	10.2
81.03413	4.0
81.07059	20.5
83.04984	15.1
85.02914	100.0
85.06575	2.9
91.05478	20.1
93.07042	12.7
93.07584	3.0
95.04948	7.4
95.08604	12.5
97.02876	4.6
99.04475	6.7
105.07060	18.7
107.04963	3.5
107.08567	15.2
109.02887	3.2
109.10150	5.5
111.04448	30.0
115.05476	4.1
117.06990	16.4
119.08603	11.2
121.10136	6.2
129.05486	20.6
129.07033	8.9
131.04971	3.8
131.08562	24.7
133.10161	5.5
135.11743	4.1
141.07005	10.6
143.08589	12.4
145.10135	15.9
147.06557	8.3
147.08089	3.2
147.11658	4.5
149.09636	3.2
155.08569	13.4
157.06499	5.0
157.10139	13.1
159.08073	8.2
159.11655	3.5
163.03889	3.7
163.07542	4.6
165.06990	3.9
167.08586	4.0
167.67570	3.0
169.10095	10.2
171.08119	4.1
171.11646	4.2
173.09706	5.6
175.07498	3.6
177.05489	5.6
177.09129	10.7
179.08624	5.6
181.10091	15.1
183.11690	12.9
185.09621	5.3
185.13280	3.8
189.09122	4.6
193.10156	7.3
195.08002	2.8
195.11688	9.8
197.13254	8.0
197.15236	2.9
203.10649	3.7
204.10161	3.1
207.11766	4.4
209.13327	7.8
211.11169	3.6
211.14709	2.8
215.10561	4.1
221.13295	6.4
225.12892	3.2
225.16417	7.4
235.11195	3.3
237.16504	3.8
239.14314	5.1
239.17917	3.4
241.12285	3.3
245.17340	2.8
249.16367	3.1
251.17836	3.2
253.15947	5.5
267.17474	26.8
271.17026	6.8
279.17368	4.9
283.16925	12.6
285.18558	51.0
293.19061	2.8
295.16888	5.1
297.18552	20.4
301.17896	3.1
303.14395	2.9
309.18445	6.5
313.18030	4.2
315.19739	8.8
327.19427	6.8
329.17548	37.5
333.18790	5.5
347.18661	10.8
349.21658	4.7
351.19580	6.4
353.17194	4.3
359.18625	18.2
369.16730	3.8
371.18637	9.3
375.19223	3.1
377.20935	10.7
377.59225	2.8
383.18658	4.3
389.19458	5.4
393.20419	7.5
395.22522	18.1
411.21359	7.6
413.23590	40.2
421.20175	6.3
431.24399	11.6
439.21219	26.6
457.22116	10.7
469.06268	2.9
475.23184	8.3
493.23215	9.2
493.29736	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	493.1557
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	3.3
56.05029	4.3
56.96567	12.2
57.03423	2.6
61.02941	1.6
61.99860	1.2
66.91801	1.4
67.05507	1.7
69.03429	3.9
69.44664	3.5
69.45070	7.3
70.06594	4.6
78.55316	1.2
79.05504	2.0
81.03430	2.9
82.06592	6.8
84.08147	100.0
84.95998	1.7
85.02909	16.4
89.03925	1.9
91.05480	2.7
95.04926	1.5
96.04473	1.8
97.02876	6.9
98.03268	1.8
98.20721	1.8
98.97601	3.6
103.03932	2.1
105.03379	1.6
105.07056	2.6
109.02891	5.1
110.97576	1.7
116.07116	4.1
117.03407	1.8
117.07055	4.2
119.04990	1.6
121.02905	2.7
121.06517	8.1
122.06864	2.0
123.04448	12.4
124.07566	1.8
127.03933	5.6
128.98598	1.6
130.08661	3.3
131.08604	2.6
135.04453	4.9
138.09155	4.5
139.03882	8.2
139.09550	1.7
143.00191	2.6
145.02910	2.7
145.10121	1.7
147.04454	4.0
147.08037	2.3
151.03925	27.8
151.05128	1.9
152.98642	3.6
158.99615	1.4
159.08119	2.6
159.11757	6.3
161.05977	2.7
163.03922	25.9
164.04305	3.6
165.05559	7.5
167.00308	2.9
169.04941	12.1
169.06204	1.5
170.99707	4.4
175.03909	1.6
177.05550	1.5
179.00284	2.0
181.04993	23.4
185.01262	5.7
188.06949	1.4
189.05547	6.3
193.04980	39.3
197.01253	2.2
198.99196	2.0
203.02277	2.9
205.05035	3.8
205.12312	6.0
207.06509	9.5
207.15056	2.6
210.99094	7.6
211.06015	41.6
217.05043	2.7
219.06561	2.5
225.00844	1.7
227.02304	2.6
229.00209	24.3
229.05037	5.9
233.09406	2.3
235.06004	36.0
235.08374	1.9
237.00818	2.8
241.05019	3.0
247.01285	3.8
247.06021	24.9
253.00233	1.8
253.15466	6.8
258.05157	1.4
259.06003	15.1
265.07144	8.1
267.01904	4.3
271.01205	1.7
277.07083	12.9
279.01746	1.5
285.02881	2.8
287.05692	5.6
295.08118	11.4
309.03345	2.5
313.09216	10.3
328.19208	1.9
329.17630	2.3
331.10153	3.1
339.04028	2.1
339.07700	2.7
357.04974	1.6
364.21268	2.2
375.06046	2.4
376.05246	9.1
389.05914	2.0
393.25537	1.8
398.06158	1.5
407.07166	1.6
411.26599	4.2
429.27182	7.0
457.27036	4.6
475.28043	52.6
493.18921	2.7
493.29224	51.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.1554
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	10.0
56.96552	6.5
57.03418	7.4
59.46872	5.2
69.80131	4.7
70.90853	6.7
72.81892	4.1
79.05493	4.9
80.22369	4.7
81.03401	7.5
84.08148	51.7
85.02907	32.2
93.03471	5.9
97.02904	10.7
103.03932	7.7
109.02869	11.9
117.03468	4.8
121.02866	25.7
121.06476	7.8
123.04427	23.8
127.03948	10.1
129.06972	4.9
131.04906	7.3
135.04405	8.9
137.02351	8.1
139.03911	20.0
141.07025	4.7
147.04422	17.5
149.02324	4.4
149.06029	9.3
151.03886	9.8
159.04440	7.5
161.05994	7.9
163.03918	36.0
163.07605	5.2
171.04411	18.1
173.05986	6.1
175.03897	28.9
175.07613	5.3
177.05475	24.2
181.04939	16.8
181.06413	6.3
185.05966	12.8
187.03908	22.5
189.05415	21.5
191.07037	5.3
192.38133	4.7
193.04980	38.3
197.01173	5.1
197.05991	10.7
199.03900	12.4
201.05470	19.3
203.03444	6.4
203.07005	5.5
205.04948	47.8
207.06564	5.4
211.05917	6.8
213.05495	16.1
215.06822	7.3
217.04974	44.3
219.03021	6.0
219.06589	19.7
221.04475	20.7
223.05952	35.3
225.05515	8.9
229.04932	21.5
231.06522	28.3
235.06023	50.9
237.00653	6.0
237.05594	5.8
241.04977	17.2
243.06567	14.8
245.08253	7.7
247.06033	83.8
249.07626	10.8
253.04950	10.7
255.06575	14.4
257.04315	6.9
257.08084	9.9
259.06039	100.0
261.07413	6.8
265.04733	4.8
267.06464	5.8
271.06036	42.5
273.07578	17.3
277.07104	58.6
279.06445	6.4
281.04346	4.4
283.06052	27.1
285.07581	15.9
287.05530	19.3
289.07031	88.4
295.05975	8.2
297.07578	10.5
299.09210	6.8
301.07108	74.0
307.08261	27.2
309.03339	7.0
309.07275	6.0
313.03647	9.3
313.06769	49.5
319.08279	31.3
322.04022	9.1
325.06232	9.9
325.09796	67.1
331.08102	7.7
337.09534	26.4
343.08102	54.5
355.08313	17.4
355.10101	17.7
361.09161	31.8
367.08325	11.7
373.09097	33.5
376.05032	22.3
379.10199	29.4
385.05136	6.4
385.09442	12.8
391.10202	47.5
403.10242	28.5
407.06903	7.3
409.11230	7.0
411.26236	11.9
421.11227	21.2
439.12219	22.8
475.27942	30.0
493.18790	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	492.2457
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02377	1.4
52.54996	1.2
53.03943	8.9
55.01865	2.0
55.05512	2.4
57.03428	1.6
61.02920	2.6
67.01878	2.9
67.05496	2.2
68.99769	1.4
69.03429	15.4
69.07083	1.4
69.32822	11.2
70.06607	1.6
71.01359	1.3
71.04617	1.4
71.04994	24.1
72.23960	1.4
73.02923	1.4
77.03915	1.9
79.05496	9.6
81.03416	23.4
81.07029	2.3
85.02908	23.2
87.00829	12.1
87.08090	3.6
91.05492	8.2
93.07044	36.4
95.04970	2.7
97.02887	30.2
97.06537	1.6
99.04456	8.3
105.01875	9.7
105.07017	13.9
107.08617	2.1
109.02879	43.1
119.08566	10.2
121.06519	1.3
121.10146	100.0
123.08049	2.4
127.03916	91.8
129.01840	2.4
131.08533	1.8
133.06557	1.6
133.07530	2.2
133.10168	3.2
135.07967	1.5
137.02275	2.0
139.11212	1.3
145.04948	8.5
145.10132	2.4
147.02892	1.6
147.08145	1.8
147.11734	1.7
153.09125	1.8
159.02911	3.8
161.05969	3.1
162.06274	1.3
163.03899	2.2
163.06456	1.3
164.58211	1.4
167.07071	1.6
173.13275	3.4
176.08337	13.0
177.08746	6.7
178.08896	4.2
191.14268	7.0
193.05017	4.1
194.05261	2.6
197.08101	2.4
207.10184	13.4
208.10533	6.1
209.10753	6.8
209.15370	13.8
213.03966	8.4
215.09163	13.6
227.12704	2.4
227.16380	2.2
229.12120	1.7
231.05000	19.8
301.09180	3.8
312.25177	3.8
319.10220	17.1
319.13660	2.2
474.14969	1.6
492.15875	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	492.1872
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	0.6
55.01858	0.2
56.96578	0.5
60.03841	0.2
66.59579	0.2
70.51708	0.4
77.03955	0.4
89.03924	1.1
91.05483	3.0
92.60508	0.2
93.07050	5.6
94.87412	0.2
95.04984	0.9
98.97590	0.3
101.00875	0.3
103.05466	3.5
105.04525	0.3
117.03391	1.6
119.01913	0.2
121.06512	100.0
122.06824	0.3
124.99136	0.3
135.04424	2.3
136.06166	0.4
138.09148	31.1
139.09544	0.3
143.00175	0.5
143.01891	1.2
145.02811	1.9
149.06454	0.2
154.94168	0.3
161.02936	0.8
163.03915	14.2
164.04231	1.0
173.06662	0.3
177.05531	0.3
185.06639	0.4
213.00700	0.3
221.03033	0.3
255.01566	0.3
293.10803	0.5
294.01483	0.3
430.76025	0.3
451.05267	0.3
455.13895	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	492.2078
Annotation	Unknow
Peak:m/z	Relative Intensity
54.67998	3.2
56.96556	3.9
57.03429	15.1
59.04992	5.2
69.03429	61.7
70.06603	4.0
70.30700	3.6
71.52382	4.4
73.02896	4.3
74.44907	2.8
75.04492	5.1
80.63359	3.0
81.03406	3.8
81.07051	3.4
84.08166	5.5
85.02911	39.2
87.04469	49.3
91.05480	7.3
97.02890	58.7
98.15836	3.4
98.97575	8.2
109.02856	3.2
115.03936	91.8
115.04758	4.6
116.98596	4.1
117.03354	7.3
119.04916	4.1
121.02885	47.8
122.10780	3.3
123.04493	3.7
124.03918	5.3
127.03925	7.0
133.04971	98.5
133.10100	3.5
135.04391	3.9
139.03880	4.1
145.02869	12.5
145.04900	7.8
147.03125	4.4
153.05473	100.0
156.03600	3.6
159.77766	3.8
161.04301	4.1
163.03934	12.4
177.05452	36.8
181.08604	3.8
183.06447	3.3
200.19582	4.0
207.06416	4.3
224.08040	6.9
239.08612	3.5
243.05165	3.8
259.08060	6.3
266.02621	4.3
299.05267	3.3
300.05930	5.5
342.10760	5.3
422.69492	3.9
447.15393	3.9
447.24905	3.9
492.15305	7.5
492.32153	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	492.2459
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	9.7
55.01873	2.7
56.96585	1.5
57.03419	1.5
60.45248	1.5
61.02918	2.4
67.01866	2.9
67.05510	2.3
68.99809	2.1
69.03435	14.8
70.76488	3.5
71.05002	26.0
73.02901	1.6
77.03902	1.2
79.05502	8.3
79.21005	1.2
81.03419	21.7
81.07050	2.1
85.02439	2.1
85.02916	25.4
86.09664	1.5
87.00833	11.4
87.08134	2.7
91.03993	1.4
91.05477	7.1
93.07053	30.6
95.04971	3.4
95.08618	1.4
97.02898	29.5
97.06551	1.9
99.04462	10.6
103.05495	2.2
105.01884	12.3
105.07047	11.6
107.08592	2.7
109.02888	37.1
110.62384	1.2
119.08572	9.9
121.06538	1.6
121.10152	100.0
123.04432	1.6
123.08075	2.0
127.03927	93.6
129.01868	3.4
133.10129	2.5
135.11734	1.4
145.04979	8.5
147.02821	1.8
149.09613	1.3
153.09077	1.9
159.02882	4.3
160.08751	1.4
161.06001	2.8
173.13332	2.4
176.08363	6.5
177.08759	4.4
178.08862	2.2
191.14325	7.4
194.05327	1.2
197.08041	1.7
207.10173	10.6
208.10526	4.8
209.10773	4.1
209.15338	15.0
213.03934	9.9
215.09140	14.5
221.22046	1.2
227.12781	4.9
231.05052	18.1
300.06113	1.6
301.09146	4.1
318.13409	1.6
319.10303	16.4
328.76620	1.4
334.62982	1.5
403.58240	1.3
443.98624	1.4
492.15720	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	491.3733
Annotation	Unknow
Peak:m/z	Relative Intensity
50.57575	4.5
55.01861	8.7
55.05502	9.2
57.07080	5.5
59.04997	6.9
67.05499	36.9
69.07079	33.6
70.20693	20.1
71.04990	6.0
79.05482	24.0
81.07059	76.0
83.04965	8.4
83.08615	12.2
85.06535	18.0
91.05511	24.8
93.07045	58.4
93.98244	4.8
95.04952	6.8
95.08607	100.0
97.06554	21.9
97.10153	8.7
99.08060	7.6
101.05929	5.6
105.07047	49.2
107.08594	90.1
109.10169	62.6
111.08107	8.0
115.07587	10.2
119.08609	63.7
121.10157	66.4
123.08051	13.4
123.11719	32.4
125.09605	14.3
129.07080	4.3
131.08551	15.4
133.10127	54.7
135.08057	40.7
135.11702	63.2
137.09592	8.8
137.13333	9.7
141.09106	9.2
143.08609	8.0
143.10736	7.4
145.10124	38.5
147.11688	40.7
149.09636	15.6
149.13281	32.8
151.07500	7.8
151.11182	4.7
157.10129	14.4
159.10254	9.5
159.11676	47.0
161.09589	5.5
161.13251	36.2
163.11142	10.8
163.14810	23.2
171.11652	11.4
173.13264	30.7
175.11208	10.5
175.14798	39.9
177.12724	9.7
177.16348	16.9
185.13194	7.6
187.14861	14.4
189.12727	5.2
189.16382	22.6
191.14307	5.3
191.17902	5.7
199.14780	15.0
201.16422	24.3
203.14343	17.9
203.17960	12.6
205.15877	19.1
213.16444	7.4
215.17964	13.9
217.15872	6.0
217.42796	5.2
219.17473	11.0
221.15369	19.6
229.15939	5.2
231.17393	7.1
233.19057	8.4
301.14758	4.1
321.91260	5.1
345.27805	5.3
359.29321	8.6
371.29529	6.1
379.29840	13.7
391.83694	4.6
397.31024	38.3
407.33130	4.9
415.31952	19.0
419.33051	10.8
425.34210	39.2
437.34198	64.0
443.35184	8.7
448.53732	5.7
455.35159	71.8
473.36224	27.9
491.29782	7.2
491.36371	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	491.3737
Annotation	Unknow
Peak:m/z	Relative Intensity
53.66658	5.4
55.05502	19.0
57.03419	6.4
57.07087	6.6
60.37877	5.0
65.03939	6.1
65.56239	5.1
67.05512	41.5
69.03399	6.2
69.07076	28.2
69.87296	27.4
71.04988	8.8
78.19763	7.0
79.05482	23.0
81.03404	9.3
81.07047	65.3
83.04994	7.3
83.08618	17.9
83.93906	5.3
85.02892	5.9
85.06536	9.5
87.77460	5.4
91.05490	28.2
93.07054	51.9
95.04965	9.8
95.08617	100.0
97.06516	17.2
97.10165	7.6
97.71920	5.5
99.08068	9.3
105.07040	49.7
107.08597	87.0
109.06505	6.8
109.10160	58.8
113.09637	6.2
115.07501	6.6
117.07047	6.7
119.08562	50.3
121.10143	61.8
123.08067	15.7
123.11717	23.4
125.09601	8.4
129.06967	6.2
131.08549	23.7
133.10129	49.5
135.08067	30.6
135.11690	45.4
137.09637	7.4
137.13278	12.6
140.52588	5.7
143.08499	7.5
143.10750	6.8
145.06409	6.7
145.10126	35.0
147.11682	34.8
149.09567	11.9
149.13278	29.9
151.07535	7.0
157.10114	14.9
159.10341	9.7
159.11703	37.8
161.09601	10.1
161.13239	32.4
163.11156	15.4
163.14772	15.5
171.11765	9.5
173.13251	26.0
175.11166	16.2
175.14786	37.0
175.16136	5.8
177.12750	9.4
177.16414	12.4
185.13237	5.8
187.14789	15.5
189.16367	20.5
191.17920	10.8
201.16414	24.3
203.14357	15.0
203.18002	10.3
205.15823	16.5
213.16467	11.2
215.17967	10.8
217.15958	16.3
219.17398	12.1
221.15344	16.5
229.19472	8.1
231.17447	9.8
335.27264	6.1
359.29202	6.6
379.29935	13.5
397.30905	37.5
407.33508	8.7
409.34238	5.7
415.31934	7.9
419.33151	6.3
425.34076	20.2
437.34311	58.2
443.34943	5.5
455.35193	61.9
473.36005	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	491.3735
Annotation	Unknow
Peak:m/z	Relative Intensity
52.81837	4.5
53.03937	7.9
55.01875	9.3
55.05515	31.0
57.03430	8.1
59.05005	4.3
67.05507	39.3
69.07066	15.9
71.04984	10.4
73.02923	5.7
79.05495	37.2
81.03414	17.0
81.07056	78.3
83.04974	16.4
83.08617	16.1
85.02901	5.5
85.06551	18.9
87.94638	4.4
89.08595	4.5
91.05482	37.4
93.07055	51.2
95.04995	15.6
95.08610	100.0
97.06537	22.7
97.10188	12.8
98.20775	15.6
99.08113	17.5
105.07022	52.1
107.04946	11.4
107.08598	69.6
109.06560	4.6
109.10186	38.5
111.08094	10.8
113.09698	7.1
113.82782	4.8
117.07031	4.8
119.08576	47.4
121.06505	15.6
121.10149	39.6
123.08074	46.2
123.11711	8.7
125.09603	22.7
129.06985	6.9
131.08557	22.2
133.10162	32.9
135.08044	10.2
135.11719	33.7
137.09625	10.9
139.03931	11.1
141.09097	65.6
142.07797	6.5
143.08556	11.3
143.10646	6.8
145.10141	32.2
147.04422	17.5
147.11710	29.4
149.09596	4.9
149.13281	13.5
150.90079	4.4
151.11209	7.7
157.06268	4.9
157.10242	8.8
159.10188	99.8
159.11679	34.4
161.09671	7.8
161.13261	19.3
163.11182	13.4
163.14848	6.7
165.32167	4.1
171.11729	10.3
173.13266	13.2
175.11269	6.7
175.14861	13.8
175.78247	4.2
177.12776	7.3
183.11705	7.2
185.13332	6.9
187.14828	15.6
189.12811	8.3
189.16380	8.1
191.14342	17.6
191.72847	4.6
199.14813	7.1
201.16417	14.8
204.07524	5.2
205.15910	9.9
215.17993	8.6
217.15912	5.3
219.13788	5.7
227.12740	11.4
229.05049	7.0
231.17537	7.0
233.16948	5.1
254.86334	4.7
263.13013	5.3
269.10599	16.4
287.11960	6.1
299.11795	7.3
367.30078	5.2
379.29929	10.0
397.31131	13.0
401.12766	8.7
407.32947	7.1
425.34073	17.6
437.34186	14.5
443.35001	10.0
455.35419	24.0
459.27740	8.0
473.36530	7.4
491.26123	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	491.3368
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	0.8
55.01836	1.2
55.02124	0.3
55.05513	4.3
57.01670	0.3
57.03407	1.1
59.04964	0.5
62.62199	0.3
65.03925	0.7
67.05509	9.3
69.03398	0.7
69.07062	1.7
71.04997	2.4
71.11238	0.8
73.06538	0.4
73.35210	0.3
79.05492	8.2
81.03430	1.8
81.07059	9.8
83.04947	1.5
83.08625	2.0
83.20558	0.3
85.06497	0.7
91.05480	5.1
93.07047	7.7
95.04989	3.1
95.08610	5.5
97.06506	1.3
97.10184	2.4
99.04391	0.4
105.04553	0.4
105.07018	3.5
107.04952	7.3
107.08611	3.4
109.06528	3.5
109.10160	7.5
111.08049	0.8
115.05457	0.4
117.07032	2.2
119.07796	0.6
119.08580	5.0
121.06498	5.6
121.10143	4.0
122.07304	1.8
123.04420	0.5
123.08061	1.3
123.11710	7.0
125.09644	2.4
129.06955	1.7
131.04884	0.9
131.08568	3.8
133.06479	0.8
133.10132	1.2
135.04425	0.4
135.08078	2.1
135.11687	0.9
137.05969	0.5
137.08536	0.6
137.09613	12.2
139.07486	0.8
141.06973	0.6
143.08540	1.2
145.06499	2.2
145.10121	2.1
147.08044	1.5
147.11682	1.0
149.09612	1.5
149.13271	0.6
153.09117	0.4
155.08626	0.8
155.10660	0.6
159.08025	1.1
159.11716	1.0
161.09650	0.8
163.11185	0.8
165.09114	100.0
166.09482	0.5
167.10675	1.1
171.08075	0.7
171.11661	0.6
173.13278	1.2
175.11195	0.9
183.10153	1.2
183.11662	0.4
185.09695	0.6
187.11214	0.5
189.09306	0.4
189.11201	1.3
189.12738	0.5
191.14301	0.9
193.12288	1.1
195.11664	0.6
199.11443	0.5
199.13382	1.2
201.01593	0.4
201.11253	1.1
203.14366	0.4
205.12274	0.8
213.12798	0.4
219.12030	0.4
219.13808	2.1
231.13794	0.4
233.15411	0.4
249.14894	1.3
255.13927	0.6
257.15512	0.4
271.16931	0.5
273.14902	2.2
275.16516	1.1
277.20871	0.4
293.24716	0.4
339.25806	1.8
349.21741	1.6
357.24158	0.5
367.22681	5.5
367.26846	0.5
382.91534	0.4
385.23709	5.3
403.24930	1.3
417.26688	0.7
441.26617	0.9
459.27402	17.9
482.96478	0.4
491.30273	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	491.3007
Annotation	Unknow
Peak:m/z	Relative Intensity
50.60062	0.4
53.03943	0.9
55.01842	1.1
55.05272	0.7
55.05510	7.5
57.03435	2.6
57.07062	0.9
59.04976	0.5
62.55468	0.4
65.03943	1.0
67.05510	11.5
69.06737	0.5
69.07073	8.7
69.70046	1.6
69.70457	0.8
71.04976	1.1
71.08622	0.5
71.77598	0.4
79.05496	6.4
81.03413	2.6
81.07061	13.6
83.04984	1.1
83.08617	4.7
85.02919	0.6
85.06535	0.9
91.05484	12.8
92.13927	0.4
93.07053	6.2
95.04963	1.9
95.08611	10.0
97.06516	1.5
97.10173	3.8
98.21465	0.8
98.97627	0.7
99.08095	0.9
102.20531	0.4
105.07040	4.7
107.04924	1.0
107.08604	4.0
109.06525	0.8
109.10143	4.8
111.08089	1.2
111.11711	1.3
113.06085	0.4
113.09650	0.6
115.69172	0.4
117.07018	1.2
119.04945	19.0
119.08575	3.9
121.06507	0.4
121.10158	3.7
122.28123	0.5
123.04489	0.5
123.08045	0.9
123.11715	2.0
125.09682	0.9
127.03893	0.4
129.05530	0.5
129.07036	1.5
131.08591	1.4
133.10121	3.3
135.08110	0.6
135.11717	2.8
137.09637	0.5
137.13258	0.9
139.11201	0.8
141.06976	0.5
143.08543	0.7
145.10161	0.8
147.04414	100.0
147.11699	2.6
149.09610	0.6
149.13258	1.0
151.11130	0.5
153.12755	0.5
155.08473	0.5
157.10107	0.8
161.13287	1.8
163.11195	0.5
165.05492	12.1
165.12712	0.6
171.11687	1.3
175.14833	0.4
179.14355	0.5
184.58958	0.5
189.12743	0.5
193.12296	1.3
207.13826	1.4
211.13353	0.9
217.19545	2.5
221.08134	1.6
227.12776	0.7
235.20590	3.2
253.21606	1.2
263.48666	0.4
267.15958	0.9
281.17444	1.0
309.24249	2.9
320.86328	0.4
327.21414	0.9
327.25293	17.1
473.28885	2.1
491.30252	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	491.3005
Annotation	Hemibrevetoxin B
Peak:m/z	Relative Intensity
51.02370	2.6
53.03935	4.7
53.14893	2.0
55.01864	6.2
55.05515	34.3
56.04260	2.2
57.03452	13.5
59.04988	3.1
65.03933	5.2
67.05508	52.0
69.03424	5.1
69.07066	9.7
70.44667	2.3
70.45213	5.1
70.45583	4.9
71.05010	5.8
79.05035	1.6
79.05493	49.4
81.03419	66.0
81.07053	52.8
81.07522	3.6
83.04979	13.4
83.08626	21.4
85.02863	2.7
91.05477	90.0
93.07046	54.2
95.04974	29.6
95.08615	27.8
97.06519	3.1
97.10155	15.1
105.07030	49.1
107.04947	9.8
107.08593	21.6
109.06518	6.8
109.10156	10.7
111.08071	8.9
115.05452	5.2
117.07025	21.1
119.04970	3.7
119.08596	30.2
121.06544	5.8
121.10139	10.2
123.08073	4.2
123.11690	16.8
125.05942	3.3
125.09638	8.3
125.32938	2.2
128.06219	4.2
129.07014	25.0
131.08569	20.6
133.06491	4.0
133.10135	16.2
135.04457	3.1
135.08049	4.0
135.11749	3.4
137.09618	3.7
142.07739	3.1
142.99226	2.5
143.08554	11.8
145.06493	4.6
145.10089	13.3
147.08020	5.9
147.11700	22.7
149.09641	4.2
151.11122	3.7
155.08577	5.6
157.10141	9.2
159.08176	3.3
159.11697	4.9
161.09648	4.9
161.13261	8.8
163.11282	2.8
167.08659	3.7
169.10287	2.9
171.08156	3.3
171.11700	13.5
175.11147	7.5
185.13290	8.3
187.13297	8.0
189.11227	5.0
189.12755	7.4
193.12248	17.2
195.11717	3.1
207.13760	18.3
227.12770	8.9
227.94864	2.5
234.52936	2.4
243.15919	7.2
249.14819	15.0
267.15918	37.2
277.18069	4.9
281.17480	50.3
305.17499	9.9
345.22073	4.1
353.24792	2.7
363.23108	6.9
373.06577	2.9
381.24213	7.6
399.25317	8.6
455.27884	6.1
473.22369	5.6
473.29047	100.0
491.30447	14.9
507.28937	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	491.2643
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	8.1
55.01877	16.0
55.05515	78.6
57.03436	9.5
58.32734	2.1
59.05005	4.3
65.03947	2.9
67.05507	55.0
69.03432	13.0
69.07078	21.7
69.31587	17.8
71.04995	12.9
79.05498	71.3
81.03423	15.5
81.07066	59.6
81.28244	2.8
83.04559	2.6
83.04971	13.8
83.08621	43.9
83.09064	4.0
85.02915	3.0
85.06552	5.4
87.12360	2.5
91.05484	31.0
91.89929	2.4
93.07052	50.0
95.04976	26.5
95.08615	27.2
97.02882	4.5
97.06536	8.6
97.10178	83.0
99.00813	3.9
105.07030	26.2
105.79369	2.4
107.04964	59.6
107.08600	45.9
109.02888	6.4
109.06531	30.5
109.10152	16.7
111.04443	3.0
111.08104	7.4
115.05543	2.9
117.07034	19.2
119.04927	3.8
119.08609	20.5
121.02926	3.1
121.06507	41.9
121.10177	14.7
123.04440	2.9
123.08062	7.2
123.11722	3.5
124.20619	2.3
125.09643	68.5
129.07008	13.6
131.04948	5.5
131.08601	26.7
133.06505	7.4
133.10117	12.6
135.04384	2.4
135.08081	17.7
135.11700	8.7
137.05943	2.5
137.09616	5.8
141.07037	4.6
142.07881	2.5
143.08578	6.8
145.06503	15.5
145.10130	14.8
147.04422	2.7
147.08093	8.9
147.11714	7.4
149.09627	6.9
153.09177	5.5
155.08551	4.9
157.06499	3.6
157.10089	5.0
159.08049	3.9
159.11710	6.1
161.06009	4.5
161.09630	9.3
163.11234	11.3
165.09123	22.6
167.10718	3.3
171.07994	3.0
171.10184	9.4
171.11613	4.0
173.05994	2.5
173.09650	3.4
173.13243	8.4
175.04008	4.0
175.07632	2.6
175.11194	5.6
177.12794	2.9
181.12189	3.2
183.07907	2.7
185.09679	2.7
187.11215	3.1
189.09233	5.2
189.11229	48.6
191.14314	16.9
193.10316	2.2
193.12259	8.1
195.11719	3.5
197.13344	2.9
199.13300	5.2
203.10669	3.0
215.14316	3.1
217.12192	3.1
219.11777	5.3
219.13817	76.2
227.12766	34.9
227.14903	2.9
231.13879	4.4
233.15385	3.2
237.12741	3.2
237.15004	3.7
249.14896	5.0
255.13832	3.7
263.12735	15.5
267.15906	2.7
273.14990	6.1
275.16458	8.4
335.20276	2.8
339.23105	4.6
344.34338	2.6
349.21231	11.9
367.22824	25.1
371.22205	7.5
381.20557	5.3
385.23755	21.4
389.23218	16.5
392.83237	2.5
399.21573	8.4
400.05432	2.5
403.24689	4.3
407.24225	5.7
417.22119	3.1
426.62909	2.4
441.26398	7.7
445.25925	24.4
447.27542	3.5
459.21246	4.5
459.27466	80.4
463.26999	19.0
473.25067	22.6
491.26526	100.0
492.27090	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	491.2643
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01579	1.9
53.03941	4.3
55.01870	15.2
55.05513	50.0
55.59824	2.1
57.03424	8.3
59.04990	2.7
65.03937	10.2
67.05507	56.6
69.03424	9.2
69.07066	18.0
69.17795	19.9
70.28709	1.8
71.01369	4.7
71.04988	5.0
79.05494	57.3
81.03423	32.8
81.07060	47.5
83.04974	11.8
83.08622	27.4
84.46806	1.8
85.02914	4.4
85.06558	3.8
91.05480	42.7
93.03386	6.8
93.07046	33.4
95.04972	31.3
95.08609	21.8
97.02882	5.3
97.06541	11.6
97.09543	3.9
97.10168	49.8
98.21539	4.7
98.97601	2.5
103.05463	4.8
105.07028	27.8
107.04958	58.5
107.08591	31.7
109.02898	5.4
109.06541	15.3
109.10165	26.6
111.04425	5.9
111.08058	6.4
111.11733	2.2
115.05444	4.4
117.07025	23.9
119.04925	4.9
119.08584	23.8
121.02000	4.1
121.02863	61.4
121.06512	24.9
121.10149	13.5
123.04425	14.5
123.08039	7.5
123.11698	6.0
125.08775	3.3
125.09637	45.9
128.06244	3.1
129.07005	14.8
131.04916	9.0
131.08569	19.7
133.06500	11.5
133.10141	16.8
135.04401	22.4
135.08076	13.3
135.11664	10.5
137.05971	4.8
137.09641	4.8
137.13232	2.6
141.06999	6.2
143.08534	8.8
145.02852	3.1
145.06477	8.7
145.10107	15.9
147.04385	5.1
147.08054	8.8
147.11746	4.3
149.02296	2.1
149.05992	4.0
149.09616	7.6
149.13242	3.4
151.03896	6.6
151.07550	2.8
151.11159	3.6
153.09082	6.0
155.08516	6.0
157.06465	2.6
157.10132	11.5
158.07249	2.4
159.08046	10.5
159.11688	8.2
161.05988	4.1
161.09595	18.2
163.03877	9.4
163.11172	9.9
165.09103	13.2
167.06981	5.5
169.10118	6.3
171.08006	2.6
171.10123	4.6
171.11586	3.0
172.35730	2.1
173.05946	2.9
173.09641	4.5
173.11963	2.3
173.13274	8.1
175.03908	2.9
175.07571	3.2
175.11180	12.2
177.12756	2.8
179.10689	2.8
181.10040	2.5
181.12256	2.7
183.11661	9.7
185.09630	4.2
185.13347	2.7
187.11203	2.7
189.09282	4.6
189.11226	22.3
191.10576	4.7
191.14417	2.8
193.10277	2.3
193.12215	10.8
199.11122	2.5
201.12712	15.6
203.10640	20.9
205.12265	5.6
207.10080	3.3
209.11777	5.8
211.11145	4.2
217.12305	3.4
219.13791	29.5
221.11667	4.0
223.13234	2.5
225.11285	2.3
227.10541	4.5
227.12781	79.1
229.12184	12.6
243.02832	2.9
245.11661	3.2
247.13298	92.3
259.09814	3.7
263.12833	5.0
265.14331	8.8
271.06049	5.0
277.14435	3.2
299.05472	8.6
299.12509	2.2
303.15485	2.2
311.08789	2.6
319.15329	2.0
335.20041	2.9
353.21140	8.2
363.19601	5.7
367.22861	2.3
371.22153	7.8
373.23737	6.0
381.20581	14.6
385.23743	2.7
389.23279	4.5
399.21652	20.9
417.22583	10.7
445.25623	5.1
455.24173	6.4
459.27258	4.6
463.27069	4.2
473.15115	3.1
473.25369	49.1
491.14505	3.3
491.26898	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	491.1185
Annotation	Luteolin 3',4'-dimethyl ether 7-glucuronide
Peak:m/z	Relative Intensity
55.01876	1.7
56.96599	0.6
65.03992	0.4
67.05544	0.7
68.99792	4.1
69.03467	0.5
70.06622	0.5
71.03725	0.8
72.08180	0.5
79.05541	0.7
81.03485	0.8
83.04989	0.8
84.08222	0.9
86.09749	0.4
87.39427	0.3
89.04024	0.3
91.05510	0.4
93.03407	0.4
93.07056	0.3
95.04986	0.4
96.41074	0.4
98.97646	0.6
102.26467	0.3
105.07062	0.4
109.02937	0.7
111.04488	0.7
115.05542	1.2
117.07096	0.6
119.04937	0.3
123.04437	2.0
127.04050	0.5
129.06992	0.8
131.04979	0.4
133.02849	0.8
133.05002	0.3
135.04425	1.8
137.02348	15.2
141.01808	0.5
141.07014	3.3
143.04979	0.9
145.02887	0.3
145.06543	1.0
147.04413	3.0
147.05476	0.4
151.03900	0.5
153.07074	0.5
155.05022	1.4
157.06563	1.4
159.04431	0.9
161.05978	12.4
163.03918	5.6
169.06506	5.7
173.05998	4.6
175.03917	12.5
175.07605	1.1
177.05540	0.6
181.06526	0.6
183.04457	2.1
185.06038	1.2
187.07581	2.9
189.05527	2.4
193.05049	0.6
197.05997	8.8
197.07684	0.6
200.04739	0.7
201.05498	7.4
203.03404	7.3
203.07080	1.1
203.42468	0.4
211.03981	1.5
215.07047	5.3
217.05008	0.3
225.05484	5.4
226.06065	0.4
227.06949	0.5
229.04984	11.4
237.00777	0.4
241.50604	0.3
243.06544	13.4
247.06119	0.6
253.05040	2.7
257.04510	2.4
271.06027	59.7
272.06433	0.7
273.07562	4.7
280.94910	0.4
281.04507	1.6
299.05518	100.0
300.05850	1.2
317.06601	6.1
353.75702	0.3
393.75610	0.3
473.10699	5.3
491.11554	11.8
491.21594	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	490.3524
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	9.2
57.07070	5.4
67.05508	13.1
68.60844	3.2
69.07063	13.3
69.93681	4.6
69.94026	15.9
71.18027	4.2
79.05477	11.7
81.07072	24.1
83.04983	3.6
83.08612	8.4
85.06554	11.1
91.05502	19.1
93.07044	30.0
95.08616	50.9
97.10194	6.8
98.21465	5.4
105.07037	31.3
107.08593	44.0
109.06505	8.3
109.10152	20.1
111.08083	11.3
111.37646	3.9
113.09624	8.7
119.08596	31.8
121.06522	5.3
121.10146	49.9
123.08073	4.8
123.11705	7.6
125.09611	4.2
129.06993	5.3
131.08554	17.0
133.10159	33.1
135.08099	5.6
135.11710	21.6
137.13243	10.7
143.08533	12.8
145.10129	40.8
147.11681	31.1
149.13260	32.5
149.42589	3.5
157.10144	14.2
159.11671	34.8
161.09528	4.4
161.13274	32.3
163.14815	12.2
167.10713	4.3
169.10126	4.7
171.11707	14.0
173.13255	22.3
175.14868	10.6
177.16400	4.5
183.11603	4.9
185.13261	12.1
187.14873	35.9
189.12790	6.3
189.16327	6.4
191.14310	9.3
197.13295	6.8
199.14864	9.5
201.16438	14.0
203.14250	7.2
205.15913	12.3
207.13785	4.9
211.14772	8.1
213.16370	8.1
217.15945	6.2
219.17545	7.0
225.16371	7.8
231.17522	5.4
237.16463	5.1
239.14236	4.8
297.22031	4.7
325.25250	7.2
343.26065	4.9
351.26807	12.2
367.30005	29.1
391.30066	24.1
395.29398	9.0
409.31006	82.3
413.30588	8.3
419.29144	7.4
427.32086	100.0
437.30563	52.8
455.31650	46.0
490.34619	21.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	490.3319
Annotation	Unknow
Peak:m/z	Relative Intensity
51.09323	1.4
52.24529	1.3
53.03938	5.6
55.05510	9.3
59.05006	1.5
65.03932	2.5
67.05500	20.4
68.05042	10.7
69.03440	2.7
69.07069	9.4
69.36911	9.3
69.37314	2.9
70.06597	46.0
71.05017	1.8
72.25639	1.3
77.03954	1.6
79.05495	25.2
80.05022	6.1
81.03409	2.3
81.07064	34.2
82.06590	5.5
83.04971	2.1
83.08611	4.0
84.08138	2.7
85.02903	1.8
91.05480	37.1
93.07040	41.3
94.06521	2.3
95.04974	34.5
95.08608	15.8
96.08157	8.8
96.08881	1.4
97.06547	2.4
98.06084	2.2
100.07618	31.6
103.05478	5.3
105.04502	1.8
105.07037	69.6
106.06574	4.9
107.07448	2.3
107.08598	24.3
108.08120	5.1
108.08829	1.6
109.06543	3.9
109.10157	17.4
114.05524	18.7
115.05499	4.7
116.06333	2.4
116.07104	9.4
117.07025	18.6
119.08584	58.8
120.08108	10.4
121.06519	3.6
121.10142	35.7
121.11012	1.7
122.09653	3.3
123.08112	1.7
123.11765	4.1
125.09666	1.6
128.06232	4.8
128.07080	57.9
129.07024	12.5
130.07806	9.0
131.08571	28.4
132.08102	3.2
133.09087	2.6
133.10135	25.6
134.09596	7.7
135.11732	10.8
136.11226	5.9
137.09595	2.2
139.11168	1.5
141.07005	6.3
142.07738	11.0
142.08577	1.9
143.08574	28.0
144.09372	7.2
145.10120	51.5
146.09628	3.5
147.11685	17.0
148.11208	15.6
149.12117	2.0
149.13286	2.0
152.07101	3.0
153.07103	2.3
154.08684	22.4
155.08546	12.1
156.09322	11.7
157.08885	1.4
157.10139	38.2
158.09706	3.3
158.10934	4.2
159.11714	14.1
160.11226	4.9
161.13271	4.6
162.12799	2.4
163.11235	1.8
163.23280	1.5
164.07112	5.4
165.07042	2.8
166.08743	2.1
167.08592	4.7
168.10330	12.1
169.10130	29.3
170.10904	2.1
171.11691	13.0
172.11264	4.2
173.13232	8.2
174.12849	5.2
175.14886	5.9
176.09290	1.5
178.08719	7.8
179.08598	5.8
180.10262	2.5
181.10056	8.9
182.10945	4.3
183.11697	14.9
184.11079	1.9
185.13322	4.4
186.12761	3.6
187.14828	2.9
188.14424	1.7
192.10213	4.2
193.10284	4.6
194.11847	30.0
195.11696	9.5
196.12498	4.2
197.13287	7.6
198.12889	1.8
201.16464	2.8
206.11774	5.2
207.11787	4.5
209.13300	12.7
211.13211	1.7
211.14894	8.9
212.14386	1.9
214.15816	2.0
216.10295	2.3
218.11824	8.5
219.12038	1.3
220.13414	2.7
221.13246	2.5
221.15240	1.6
223.14867	2.8
226.15952	5.9
232.13376	3.1
235.14926	3.4
237.16473	4.4
239.17998	2.6
244.13527	2.1
246.15005	2.9
249.16571	1.9
256.13269	3.6
258.15030	6.0
259.15692	5.0
260.16489	14.0
265.19543	2.7
270.14862	1.8
271.15683	4.7
272.16425	2.6
274.18088	4.7
284.16531	6.7
314.20737	2.0
324.19220	1.6
331.24463	2.4
350.21109	2.5
351.21988	2.0
352.22845	4.5
357.25931	2.7
366.24207	2.6
380.25836	66.8
398.26929	34.5
428.33264	1.9
446.33957	1.5
446.70416	1.6
454.34274	1.8
472.32144	82.7
490.33279	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	490.2283
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	3.6
55.01856	2.6
55.05511	10.2
56.96563	2.6
57.03439	2.8
59.89289	2.2
62.62676	1.9
62.98127	2.0
65.03895	1.9
67.05509	3.8
69.03441	11.6
69.07084	2.8
70.06593	3.5
71.04991	3.2
71.53036	3.0
72.08151	7.7
73.02892	2.6
73.06557	6.8
79.05491	4.2
81.03419	10.5
81.07048	7.3
83.04990	7.8
85.02912	29.4
87.00819	8.4
89.29765	2.0
91.05479	15.1
93.07051	5.9
95.04965	3.1
95.08600	5.2
97.02904	14.1
97.06538	5.7
99.04473	4.1
105.01865	7.3
105.07034	8.3
107.08592	7.5
109.02904	9.3
109.06536	11.7
109.10152	5.9
111.08085	5.6
117.03392	3.2
119.08582	9.2
121.02866	3.8
121.10134	12.3
123.04408	3.0
123.08109	3.6
123.11721	15.1
127.03915	14.6
129.06970	2.5
131.08592	2.9
131.77127	2.4
133.10143	3.5
135.11716	2.2
136.07579	3.2
137.09619	32.8
139.03911	2.6
145.02858	6.8
145.04959	3.4
145.10110	3.6
147.08147	2.7
147.11681	15.1
149.02350	89.7
149.09589	5.2
151.07588	3.4
157.10114	2.3
161.05988	2.8
161.13229	7.4
163.03894	5.7
164.07063	4.0
165.12759	100.0
171.11700	2.4
173.02295	2.4
174.10477	2.3
175.07520	5.9
177.05495	8.1
179.14354	5.3
189.12799	14.1
203.07062	6.3
207.13817	58.5
221.08130	10.4
231.04948	4.6
266.40634	2.0
293.13831	31.2
304.23248	2.8
347.22498	1.8
490.16885	3.1
490.24332	13.0
490.34241	2.4
491.15298	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	490.1922
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	0.3
54.16911	0.3
64.92870	0.3
69.03411	0.8
69.33116	2.4
70.06575	0.6
73.02876	0.3
75.04460	0.3
77.11550	0.2
81.03445	0.3
85.02888	0.6
91.05471	1.4
93.07025	0.5
95.04933	0.3
95.08591	0.4
97.02890	0.8
97.06480	0.3
103.05475	0.5
105.03375	0.9
105.07062	1.4
107.04941	0.6
109.06545	0.5
115.05445	1.3
117.07007	0.9
121.02886	0.3
121.06510	2.3
121.10165	0.3
123.04413	0.4
123.08009	0.8
129.03336	0.5
131.04926	1.2
132.05695	0.7
133.06503	6.1
135.04414	0.5
135.08014	0.3
136.05119	0.3
138.05440	0.3
138.06732	0.5
145.06477	1.3
146.07237	1.0
146.80235	0.3
147.04431	0.5
147.08054	2.6
149.05978	1.9
149.09692	0.5
151.03917	0.4
151.07552	3.1
160.05215	0.7
161.05984	24.2
162.06761	0.5
163.03934	0.8
163.07600	2.1
164.08304	0.8
165.09117	0.5
175.07553	5.3
176.08327	73.4
177.05490	3.4
177.09081	5.0
178.09871	0.7
179.07008	0.3
179.10687	1.1
187.91502	0.3
192.07828	4.3
207.10168	100.0
208.10469	0.8
209.11661	0.6
219.09923	0.3
225.14957	0.3
242.11880	0.6
490.22815	1.4
491.15143	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.3575
Annotation	Asiatic acid
Peak:m/z	Relative Intensity
50.88827	3.6
51.98410	3.8
53.03952	7.8
55.05510	14.7
60.76950	3.6
65.03950	4.0
67.05515	22.0
69.03430	4.5
69.07076	23.1
71.04977	4.0
71.13854	3.4
71.26000	8.4
79.05499	27.1
81.03436	4.5
81.07059	51.1
83.08640	9.7
85.02909	6.2
86.74128	4.0
91.05505	28.0
93.07044	44.2
93.41865	4.4
95.04979	6.9
95.08607	51.8
97.06506	4.7
99.08099	13.5
105.07030	66.1
107.04948	6.2
107.08598	71.1
108.63257	3.6
109.06456	4.6
109.10151	29.9
111.08060	5.4
117.07020	10.3
119.08575	88.9
121.02787	4.1
121.10146	38.5
123.04447	4.2
123.08088	5.1
123.11724	5.7
128.06297	3.8
129.07051	8.2
131.08578	54.4
133.10123	58.4
135.08047	6.7
135.11678	25.4
143.08562	10.3
145.10115	52.5
147.11693	79.9
149.09616	7.4
149.13281	29.5
150.38242	4.5
155.08543	5.5
157.10121	15.2
159.11714	39.7
161.13263	23.7
163.11153	5.9
163.14827	7.8
165.09103	7.3
171.11662	8.0
173.13286	21.7
175.14859	25.6
177.12753	3.7
177.16374	21.6
185.13268	12.2
187.14832	56.5
189.16385	100.0
191.18018	9.0
199.14844	9.7
201.16388	93.9
201.18277	5.7
203.17921	11.2
205.15887	56.0
207.17415	37.5
213.16420	14.9
215.17967	12.4
217.15874	5.1
219.17438	15.7
227.17851	4.7
244.08150	3.7
334.27469	4.2
353.21030	4.0
389.31732	5.3
407.33054	48.7
413.30322	5.7
425.34210	29.2
435.32858	7.4
441.33490	7.6
453.33713	50.6
471.34601	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	489.3576
Annotation	Asiatic acid
Peak:m/z	Relative Intensity
53.03948	7.1
55.01882	3.7
55.05508	29.1
57.07081	4.2
61.16801	3.8
65.03943	5.7
67.05506	59.9
69.03436	5.6
69.07069	19.4
70.03743	17.0
70.88225	3.7
71.05000	7.0
73.02893	4.5
79.05498	71.5
79.05958	4.0
81.03423	7.2
81.07062	72.7
83.05010	8.7
83.08647	15.3
85.02929	6.3
85.06544	4.9
90.41695	3.3
91.05489	64.8
93.07049	100.0
95.04994	15.7
95.08614	94.6
97.02935	5.7
97.06562	7.0
97.10201	5.9
99.08126	9.3
103.05455	4.9
105.07037	78.9
105.07687	5.8
107.04984	9.9
107.08595	79.1
109.06544	7.1
109.10178	32.8
111.08126	7.9
111.68457	3.2
113.09587	3.5
113.78637	3.3
117.07008	19.0
119.04986	5.3
119.08591	94.6
121.06543	10.9
121.10148	47.9
123.08111	7.5
123.11774	8.2
125.09554	3.4
125.31250	4.6
129.07025	11.5
131.08582	44.4
131.09409	4.1
133.06499	4.0
133.10153	51.8
135.08093	8.4
135.11693	46.2
142.07762	3.6
143.08609	10.4
145.10126	73.8
145.11165	5.8
147.04413	30.3
147.11696	77.7
147.12787	5.1
149.13266	59.5
157.10181	14.2
159.11694	45.0
161.09689	5.2
161.13251	38.6
161.14197	3.3
163.11192	33.7
163.14844	15.1
165.05542	5.8
171.11679	19.8
173.13246	26.6
175.14871	13.6
177.12802	4.6
177.16385	27.8
179.14320	4.4
181.12254	9.0
185.13354	9.9
187.14836	37.2
189.12831	11.3
189.16402	85.4
193.05107	4.3
197.13298	5.1
199.14882	10.5
201.16411	52.6
203.18024	10.0
205.15842	19.9
207.13875	13.6
207.17471	47.3
209.11638	4.2
211.14931	5.0
213.16321	8.8
215.17970	18.6
217.15942	6.0
219.17470	12.2
221.01305	4.1
227.12785	72.0
227.17970	7.8
233.15530	3.7
233.19315	3.8
367.30093	14.4
389.31754	4.9
395.33371	10.3
407.33167	31.7
413.30472	9.5
423.32788	5.3
425.34109	10.2
435.32858	12.5
441.33337	8.1
453.33810	47.0
471.34601	9.6
473.14557	5.2
489.28329	47.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.3577
Annotation	Asiatic acid
Peak:m/z	Relative Intensity
51.54274	7.1
55.05500	17.6
67.05499	27.3
67.93079	8.5
69.07066	19.9
71.16723	8.9
71.17045	8.0
77.05065	6.8
79.05484	28.2
81.07072	55.2
83.08612	11.2
91.05478	29.5
91.85658	6.3
93.07055	65.0
95.04943	10.9
95.08610	89.0
105.07057	57.7
107.08607	79.0
108.03579	6.5
109.10171	31.0
119.08577	96.8
121.10149	50.7
123.11712	12.4
126.27805	8.1
129.06987	7.2
131.08577	31.1
133.10141	51.0
135.11691	26.7
143.08539	22.8
145.10126	52.8
147.11719	26.1
149.13248	38.3
157.10162	27.0
159.11751	44.9
161.13281	32.9
163.14821	45.5
171.11676	20.1
173.13246	23.7
175.14839	49.8
177.16411	32.5
183.11771	12.8
185.13275	21.6
187.14803	46.4
189.16414	92.4
191.17853	7.5
199.14838	33.5
201.16418	100.0
203.17955	29.4
205.15816	12.4
211.14795	8.6
213.16402	26.6
215.17990	16.7
217.15862	24.7
219.17418	13.5
225.16417	10.7
227.18016	16.4
231.17546	8.8
235.16937	15.5
239.17941	13.6
247.16910	23.3
285.18619	9.0
389.31894	21.5
397.30942	24.6
407.33209	64.8
417.30795	8.3
425.34567	9.6
435.32718	73.0
453.33832	42.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.3574
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	3.2
54.62285	1.3
55.05520	17.5
57.03426	4.9
57.07074	2.2
59.04987	2.1
65.03933	3.5
65.61086	1.4
67.05506	86.4
69.07071	14.2
71.04990	3.4
75.58639	1.4
79.05499	29.1
81.07058	35.2
83.04968	2.4
83.08644	8.2
85.06541	2.8
91.05480	27.9
93.07043	35.9
95.04987	3.8
95.08607	27.7
97.06512	3.6
97.10161	2.1
105.07040	21.6
107.08599	20.1
109.10157	44.8
111.08049	2.4
117.07027	6.7
119.08587	26.8
121.10134	16.4
123.11732	2.5
125.09704	2.3
129.07016	3.9
131.08557	14.5
133.10147	15.7
135.11697	9.6
137.09596	3.1
143.08537	5.6
145.10109	13.6
147.11691	10.7
149.13243	4.0
155.08493	3.4
155.10667	3.4
157.10178	3.7
159.11684	11.4
161.13286	4.9
169.10124	2.3
169.27930	1.4
171.11703	3.7
173.11740	12.2
173.13260	6.6
183.11749	3.9
185.13213	3.4
187.14804	4.3
197.13260	2.0
199.14781	3.6
211.09421	6.1
211.14789	3.2
213.14809	1.9
213.16612	2.0
225.16289	1.7
261.22131	4.5
285.22284	1.9
299.23685	1.9
317.20923	1.8
317.24905	2.1
377.27310	1.8
379.30051	8.4
397.30994	11.6
415.32132	3.9
471.34848	10.8
489.31241	17.2
489.36795	100.0
490.36185	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.3575
Annotation	Asiatic acid
Peak:m/z	Relative Intensity
51.40168	2.0
55.05512	15.8
57.07078	4.9
65.03918	2.4
67.05505	18.2
68.45455	2.1
69.06720	3.1
69.07066	27.1
69.28548	14.1
71.04988	9.9
79.05498	19.8
81.03408	2.0
81.07056	39.0
83.04969	3.7
83.08603	10.1
85.06496	2.3
91.05475	22.0
93.07043	50.8
95.04983	2.2
95.08604	54.3
96.79478	1.6
97.06508	2.8
97.10151	5.2
98.21581	3.6
99.08103	8.0
105.07034	42.0
107.08595	72.4
109.06497	3.4
109.10155	56.4
111.08087	3.9
113.09538	1.8
117.07013	6.7
119.08578	74.0
121.06490	3.3
121.10148	87.1
123.08065	4.8
123.11703	27.8
125.09611	4.2
127.11218	18.3
129.06950	2.0
131.08527	12.4
133.10129	78.0
135.08034	7.0
135.11690	72.5
137.09607	6.0
137.13284	12.6
139.07510	4.9
139.11217	2.2
143.08560	4.8
144.09325	2.6
145.10126	24.4
147.08028	2.8
147.11697	50.2
149.09605	4.7
149.13255	24.7
153.09111	5.9
157.10130	7.4
159.11690	33.9
161.09627	4.8
161.13254	50.9
163.11186	5.0
163.14838	9.5
165.09146	4.8
167.10733	2.7
170.10884	2.5
171.11714	9.9
173.13292	12.0
175.11176	4.3
175.14847	19.2
177.12749	3.2
177.16367	5.8
179.10629	5.5
181.12230	7.3
183.11613	4.4
185.13255	8.4
187.14799	11.5
189.12799	5.2
189.16377	25.1
191.14305	5.6
191.17961	8.8
197.13332	4.8
199.14830	7.6
201.16382	34.0
203.14256	6.3
203.17950	57.2
205.15849	7.3
205.19421	3.8
207.13789	4.3
207.17459	8.4
209.15256	4.2
211.14742	3.2
213.16341	2.9
215.17937	10.8
217.15952	7.2
217.19536	26.3
219.13736	2.9
219.17325	3.0
221.15338	3.8
221.18983	10.5
223.14903	2.8
227.18053	2.3
233.15437	2.4
233.18883	2.8
235.16995	4.0
235.20505	2.8
245.15533	4.6
247.16887	3.5
263.16360	4.0
265.17960	3.2
323.27365	2.2
351.41125	2.5
373.27292	2.5
383.32993	5.6
385.35098	2.3
393.31577	4.2
407.33014	11.5
411.32578	21.9
417.31442	5.6
425.34122	30.9
429.33496	8.1
435.32620	26.2
441.59488	2.1
443.35077	15.3
453.33673	100.0
471.34738	81.7
489.35767	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	489.3213
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.4
55.05511	1.9
56.96553	0.4
57.03426	0.2
57.07056	0.6
58.75778	0.3
65.03939	0.3
67.05503	5.9
69.03421	0.7
69.07066	1.8
69.86012	1.1
71.04987	0.9
79.05503	1.7
81.07059	6.3
83.04967	0.8
83.08591	1.0
85.02890	0.7
85.06526	1.0
91.05471	1.8
93.07045	2.5
95.04970	0.9
95.08605	7.7
97.02868	0.6
97.06530	0.7
97.10162	0.5
98.20831	0.3
98.97578	0.3
99.04429	0.6
101.05984	0.3
105.07033	1.8
107.04910	0.7
107.08598	2.8
109.06532	0.6
109.10153	7.3
111.08092	0.6
113.05975	0.6
113.09637	0.8
119.08585	4.9
119.18643	0.2
121.06567	0.3
121.10153	1.8
122.07298	1.4
123.04428	0.5
123.08070	1.1
123.11700	3.1
125.09628	0.5
127.03870	0.3
129.06992	0.3
129.09109	0.7
131.04933	0.3
131.08600	0.6
133.10100	1.2
135.08028	0.4
135.11653	1.2
137.05992	0.5
137.09616	10.9
137.13235	0.8
139.03900	0.3
141.09071	1.5
145.02882	0.2
145.06194	0.3
145.10123	0.7
147.04384	0.4
147.11665	1.7
149.09583	1.4
149.13252	1.5
151.07536	1.0
152.15097	0.2
155.08498	0.3
157.08603	1.3
157.09978	0.3
159.10220	0.4
159.11728	0.5
161.13258	0.6
163.03900	1.0
163.11143	0.5
163.14825	0.6
165.09113	100.0
166.09444	0.7
167.07106	0.6
169.08624	0.4
173.11842	0.3
173.13252	0.3
175.11137	0.7
175.14838	0.5
177.09116	0.6
177.16388	0.3
187.09624	0.7
187.14818	0.7
189.12775	0.6
189.16418	0.4
199.14873	0.4
201.16417	0.6
203.10690	1.1
203.14398	0.3
203.17914	0.6
205.12234	1.5
205.15845	0.6
245.08005	0.3
254.44463	0.3
259.06598	0.2
259.09616	0.5
273.22214	0.5
273.25693	0.4
291.23221	0.7
291.27069	0.3
317.21246	0.4
319.22684	0.5
337.23764	1.6
425.30121	0.4
443.31604	0.9
471.30740	0.3
486.25183	0.3
489.11334	2.1
489.17145	0.4
489.24298	0.3
489.31790	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.3062
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	3.9
55.05514	17.3
57.03445	27.5
57.07080	90.6
60.82602	2.2
61.02931	4.4
65.03963	2.7
65.33339	2.0
67.01857	2.2
67.05508	42.0
69.03431	9.3
69.07077	23.0
69.22759	19.8
71.01357	37.3
71.08633	72.7
73.02563	3.7
73.02925	43.9
75.04475	6.0
79.05488	6.9
81.07062	51.2
83.01364	4.7
83.04997	3.0
83.08624	34.3
85.02908	91.1
85.06528	2.2
85.10191	42.5
89.02383	2.7
91.05479	5.4
93.07052	7.2
95.01337	10.5
95.08618	64.2
97.02892	35.4
97.10172	17.5
99.00825	9.9
99.04458	4.6
101.02376	15.1
103.03949	14.0
105.07039	5.3
107.08621	4.8
109.10165	39.2
113.02367	43.0
117.05496	5.0
117.07025	3.1
118.17098	2.1
119.08571	6.3
121.10117	2.5
123.00835	4.7
123.11724	16.9
131.03416	19.4
131.08521	2.5
133.10130	5.1
135.11700	3.2
137.13272	7.5
141.01830	32.3
145.04961	7.6
145.10196	4.4
159.02916	13.1
159.06575	9.9
169.04959	9.6
187.06047	5.2
192.56290	2.2
197.04469	8.3
215.05518	19.5
216.30934	2.3
221.22862	4.2
233.06465	3.6
239.23715	73.1
257.24905	3.0
297.53290	2.4
313.27377	100.0
314.27780	2.5
355.28482	17.8
392.04245	2.3
397.30154	3.3
448.45734	2.2
453.28271	7.5
489.29913	35.8
489.35764	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	489.2848
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.3
55.01873	0.6
55.05514	3.2
57.03436	2.2
62.75986	0.3
65.03931	1.2
67.05506	11.4
69.07074	3.5
71.04966	0.7
74.09726	0.5
75.83676	0.3
79.05492	6.2
81.07058	11.5
83.04974	0.7
83.08621	2.7
91.05479	8.9
93.07047	6.2
95.04972	0.8
95.08611	11.2
97.06519	1.5
97.10170	1.0
98.21526	0.7
105.07037	2.3
107.08591	4.3
109.02921	0.4
109.10158	4.4
111.08096	0.8
117.06976	0.4
119.04945	20.1
119.08567	2.0
120.08965	0.3
121.09356	0.3
121.10156	4.7
121.88675	0.3
123.04460	0.3
123.08054	0.4
123.11700	1.9
125.09599	0.4
125.41433	0.3
129.05505	0.5
131.08508	1.5
133.10146	3.5
135.11696	2.6
137.09625	0.9
137.13223	0.5
145.10162	1.4
147.04414	100.0
147.11691	1.3
148.04733	0.5
149.09563	0.3
149.13252	1.1
151.11182	1.3
159.11719	0.8
161.13216	0.6
165.05481	15.9
173.13174	0.3
177.12819	0.3
179.94040	0.3
187.14825	0.5
191.17990	0.3
195.13821	0.4
215.17938	2.6
215.33171	0.4
221.08093	1.4
229.08585	0.4
233.19019	2.6
235.20653	0.4
251.20078	3.3
289.21680	0.5
298.45139	0.4
307.22534	0.3
325.23740	16.8
326.23871	0.3
453.33395	0.3
471.27356	0.6
489.28302	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	487.3423
Annotation	Iridotectoral A
Peak:m/z	Relative Intensity
52.47248	3.3
53.03936	5.7
55.01883	3.6
55.05511	20.7
57.07072	7.0
67.05508	25.3
69.03416	10.4
69.07064	19.1
69.86018	16.6
71.04987	4.8
73.02931	4.9
74.64753	3.3
76.02240	4.6
79.05502	27.1
81.03416	5.2
81.07066	41.1
83.04983	14.7
83.08616	11.2
85.02904	10.2
85.06541	9.1
87.04448	4.9
91.05491	31.0
91.10910	3.1
93.07040	44.7
95.04962	10.4
95.08617	63.4
96.04515	3.1
97.02888	19.0
97.06523	16.1
98.97612	4.2
105.07033	50.8
107.04952	4.3
107.08601	64.4
108.28528	3.2
109.06528	8.0
109.10163	40.5
111.04447	5.2
111.08089	12.3
116.59882	3.5
117.07023	9.8
119.04947	4.7
119.08590	100.0
121.06506	11.3
121.10152	44.3
123.04469	10.0
123.08066	9.5
123.11735	11.9
127.03954	6.9
129.06978	6.7
131.08578	36.4
133.10139	74.0
135.08018	17.3
135.11690	16.6
137.06009	5.6
137.09592	7.4
139.03836	3.7
141.07036	6.5
142.07726	7.7
143.08560	21.1
144.09326	5.8
145.10136	64.2
147.04456	5.8
147.08061	5.6
147.11710	42.3
149.09622	9.5
149.13239	13.1
151.11183	4.3
153.09085	4.4
155.08536	7.6
156.09311	8.3
157.10127	36.8
159.11694	53.2
159.12883	5.2
161.09622	14.2
161.13275	23.8
163.03918	27.2
163.11285	6.0
163.14828	11.7
165.09132	3.7
165.12810	4.0
169.10167	5.7
170.10864	6.1
171.11687	24.8
173.09660	5.1
173.13249	29.0
175.11247	10.2
175.14882	19.0
177.12866	6.6
177.16403	20.6
179.04822	7.6
179.14261	4.8
183.11691	9.5
185.13272	15.5
187.14816	57.3
189.12759	6.2
189.16393	47.5
191.14284	22.9
191.17955	12.4
195.11681	4.6
197.13237	10.0
199.14836	32.5
201.12778	6.1
201.16373	39.9
203.14241	8.8
203.17938	27.7
205.15796	20.1
208.49393	3.1
211.14812	7.2
213.16428	10.4
215.14337	6.2
215.17949	12.8
217.15906	37.5
217.19672	3.6
218.66902	3.2
219.17403	8.3
221.19016	4.8
229.07468	3.2
229.15958	8.4
229.19460	6.4
231.17470	6.8
235.16902	24.6
239.16310	5.8
241.19606	4.0
247.17036	16.1
249.18597	5.1
261.18518	11.5
321.25674	4.0
335.09207	9.1
337.59436	3.2
387.30374	8.0
391.08051	4.0
393.31570	22.5
405.31290	24.3
407.33258	7.1
421.30945	14.0
423.32492	18.6
425.33865	4.2
429.06909	4.4
433.31067	11.0
439.31958	17.5
441.33899	6.6
451.32071	27.4
469.33002	12.0
487.13840	21.0
487.20767	5.3
487.33923	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	487.3422
Annotation	Iridotectoral A
Peak:m/z	Relative Intensity
55.05498	6.7
57.07067	5.3
67.05505	22.1
69.03413	1.8
69.07053	7.4
69.47458	5.0
69.47865	7.7
71.08606	3.0
79.05504	15.1
81.07063	33.6
83.04991	2.3
83.08612	4.3
89.06004	2.2
91.05482	13.7
92.81687	2.0
93.06566	2.1
93.07046	24.6
94.07838	1.8
95.04964	2.9
95.08615	42.1
97.06512	4.8
97.10163	2.4
105.07043	26.0
107.08599	34.9
108.78611	1.6
109.06508	3.9
109.10152	14.5
113.34673	1.6
117.07013	7.0
119.08598	25.4
121.10159	27.8
123.08086	16.2
123.11689	5.8
129.07014	2.4
131.08597	10.9
133.10132	30.4
135.08072	2.8
135.11697	15.0
137.09605	2.4
139.07550	2.2
143.08533	6.0
145.10117	18.5
147.08044	2.3
147.10637	2.3
147.11697	17.8
149.09631	2.7
149.13284	9.9
151.11180	2.5
153.09103	5.1
157.10130	7.4
159.11685	19.8
161.09589	2.1
161.13271	32.8
163.11154	2.4
163.14792	7.2
166.28452	1.9
169.10207	2.2
171.11671	6.0
173.11961	1.7
173.13263	12.1
175.11122	3.5
175.14847	26.7
177.12769	2.1
177.16356	2.3
179.10677	3.0
179.98250	1.5
183.11667	2.6
185.13281	5.3
187.14812	6.9
189.16348	11.2
199.14851	8.6
201.16382	15.4
203.14287	3.6
203.17969	3.7
205.15889	2.7
207.13609	2.2
213.16353	4.2
215.14359	1.8
215.17979	9.0
217.15796	2.8
219.17383	6.4
221.15361	3.6
233.15335	2.6
243.17383	2.4
281.22546	2.3
315.19370	2.5
315.28082	2.4
320.35800	2.1
327.23077	2.3
343.22382	2.2
353.24698	2.1
369.27899	2.4
378.80276	2.2
381.27350	9.2
381.31601	5.8
383.29233	7.7
391.29898	2.2
405.31503	5.1
409.30832	5.6
411.29074	13.7
423.32590	22.2
429.30084	16.8
433.31018	4.8
441.33871	12.2
451.32138	25.0
469.33292	25.6
487.30145	100.0
488.30664	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	487.342
Annotation	Iridotectoral A
Peak:m/z	Relative Intensity
50.26770	2.6
53.03940	2.6
55.05512	14.0
57.03429	2.8
57.07062	5.1
58.38500	2.4
59.04975	3.1
61.02931	2.9
62.68359	2.4
63.05377	2.0
67.05505	22.6
69.03416	9.3
69.07074	20.2
69.36199	8.6
69.36622	10.2
70.04079	100.0
71.03770	3.0
71.04398	8.2
71.04981	3.8
73.02934	2.8
79.05490	22.7
81.03405	7.4
81.07055	45.5
82.07349	2.8
83.04971	7.0
83.08607	9.0
84.04465	2.4
85.02903	17.8
85.06524	3.0
91.05480	33.2
93.06487	3.4
93.07042	43.4
95.04958	5.2
95.08607	54.4
96.22308	2.9
97.02885	6.5
97.06538	12.5
97.10169	3.5
98.97581	2.4
99.04393	2.5
99.08075	4.3
103.05481	2.8
105.07033	49.8
107.04951	2.6
107.08596	65.2
109.06509	7.9
109.09462	3.3
109.10164	34.0
111.08087	11.6
117.07050	11.7
118.54762	2.4
119.08583	84.3
121.06533	2.8
121.10143	34.8
123.08052	7.3
123.11695	10.2
125.01538	7.1
125.09627	4.8
126.01841	4.5
127.03883	5.6
128.06201	5.7
129.06999	8.9
131.08582	44.1
133.06354	2.4
133.10135	53.5
135.08073	3.9
135.11659	18.5
137.06001	3.2
137.09627	5.9
139.11128	3.3
141.06984	3.3
142.07771	6.3
143.08548	25.5
144.09334	2.7
145.10126	63.4
147.04416	2.8
147.11697	41.1
149.09557	4.0
149.13240	17.8
151.03104	7.2
151.11163	3.0
152.03400	4.6
153.09076	4.5
155.08487	5.9
156.09369	5.0
157.10120	30.5
158.10873	2.8
159.08060	3.7
159.11696	45.3
161.09613	4.4
161.13272	32.5
163.03889	9.2
163.07556	4.1
163.11150	6.3
163.14801	13.9
165.09187	3.2
165.12669	3.2
169.10127	5.9
171.11676	17.0
172.12340	2.4
173.11768	3.9
173.13263	57.5
175.11148	5.2
175.14809	30.3
177.05486	5.4
177.12733	8.1
177.16403	16.2
179.14250	3.0
181.10048	2.4
183.11702	9.6
184.12341	3.5
185.13266	39.2
187.14819	55.4
189.16353	29.1
191.14290	10.1
193.15877	5.4
197.13211	14.7
199.14821	36.1
201.12704	3.9
201.16365	53.1
203.14339	17.7
203.17955	20.6
205.15894	23.8
207.17459	5.7
209.13278	4.5
209.15474	2.4
211.14819	7.2
213.16383	28.5
215.14507	4.7
215.17970	10.5
217.15894	14.7
219.17465	15.3
221.15363	10.2
221.18925	2.3
223.14822	3.4
223.16861	3.2
225.16447	4.2
227.18007	9.8
229.15887	5.1
229.19427	3.4
231.13870	3.2
231.17496	12.6
235.16888	4.1
239.17928	2.8
241.19479	4.9
243.17403	3.6
245.15335	8.3
247.16933	14.1
249.14749	19.7
249.18558	3.5
253.19534	7.7
259.16937	10.3
261.14795	5.4
261.18518	2.4
263.16418	3.1
267.21078	4.2
273.18536	4.3
277.12823	3.5
277.17871	4.9
279.21191	3.5
285.18506	2.8
292.12872	2.6
299.19821	3.4
305.22559	2.9
306.13995	2.2
307.14035	9.2
308.13751	3.2
324.14719	17.8
325.15030	55.4
325.21225	2.7
326.14468	11.7
387.30429	8.0
393.27676	8.6
393.32117	3.7
405.31577	31.8
407.33325	3.1
411.28683	3.1
421.30771	11.7
423.32629	22.3
425.34189	4.9
433.31046	24.9
439.32141	17.4
441.33679	6.9
450.82819	2.8
451.32028	39.6
457.49115	2.6
469.33234	34.2
487.13672	4.3
487.20456	13.2
487.34207	37.2
488.03711	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	487.3421
Annotation	Acerinol
Peak:m/z	Relative Intensity
52.11669	3.4
53.03941	11.4
53.20375	3.0
55.01859	5.2
55.05517	30.9
56.96577	8.2
57.03442	5.3
57.07054	3.8
59.63118	3.4
59.75471	3.8
61.02927	5.7
63.05243	3.0
65.03927	4.2
67.05506	89.7
69.03444	4.2
69.07073	23.5
71.04998	5.9
73.06512	4.0
77.03920	4.3
77.06672	3.0
78.47673	3.5
79.05493	100.0
79.53920	4.3
81.03404	12.3
81.06584	6.0
81.07059	85.0
83.05000	21.2
83.08616	14.8
85.02914	5.8
85.06538	3.5
91.05482	79.1
91.06026	6.8
93.06486	5.9
93.07049	99.2
95.04971	24.3
95.08601	63.3
97.06527	14.4
97.10177	10.3
99.04469	4.3
103.05465	3.8
105.04528	5.3
105.06403	5.9
105.07047	76.5
107.04962	7.9
107.08598	71.2
109.06529	12.0
109.10153	31.0
111.08085	5.6
117.06998	22.9
119.08591	55.6
121.06495	8.0
121.10139	41.2
123.08094	13.4
123.11728	8.7
125.09608	8.3
127.07549	4.3
128.06241	4.6
129.06995	18.6
131.08582	15.5
133.06436	4.2
133.10127	33.3
135.11714	19.6
137.09645	6.4
137.13228	8.0
143.08548	15.3
145.10153	31.4
147.11702	57.3
149.09665	5.8
149.13261	25.3
153.09100	7.6
157.10094	12.2
159.11681	25.3
161.09624	10.6
161.13274	24.3
163.11172	5.7
163.14822	8.9
167.10675	5.3
171.11679	39.1
173.13274	12.1
175.14809	11.2
177.16380	5.3
179.14328	4.8
185.13351	8.2
187.14803	9.5
189.12775	15.7
191.17963	3.7
197.13338	4.2
199.14816	6.4
201.16405	13.7
207.13812	48.5
211.13300	3.7
213.16272	4.7
214.75458	4.0
215.17860	7.4
217.15860	4.1
225.14890	9.9
233.15593	3.9
235.16963	5.0
247.16933	4.3
267.09201	6.9
267.21298	3.9
281.17444	4.6
285.09958	6.0
317.24664	6.8
333.17346	4.9
345.27997	4.6
351.18457	7.9
357.15674	7.5
357.65823	4.8
369.19620	4.6
381.31702	21.4
385.23682	3.9
395.33038	6.5
405.31543	5.6
423.32791	33.1
441.33618	54.1
451.31918	6.4
462.21707	5.0
469.32880	6.2
487.30334	63.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.3422
Annotation	Iridotectoral A
Peak:m/z	Relative Intensity
50.79399	2.1
53.03955	2.7
55.05509	12.0
55.35012	1.6
56.96540	2.1
65.03938	2.7
67.05503	22.2
69.03464	1.8
69.07076	14.4
71.05020	2.0
79.05500	19.6
79.43307	1.8
81.07059	51.8
83.08623	6.4
83.49522	2.0
85.02931	4.5
85.06541	2.4
91.05483	19.7
93.07047	36.1
95.04971	6.1
95.08615	37.7
97.06535	87.3
97.10159	4.8
99.60516	2.1
105.07036	48.8
107.08599	49.3
109.06533	16.7
109.10158	31.7
109.70250	2.0
111.08091	14.4
117.07018	10.2
119.08587	71.2
121.06519	4.9
121.10155	42.2
123.08095	6.3
123.11709	6.9
125.09589	10.0
129.07013	4.8
130.07741	2.9
131.08556	24.1
133.10143	61.2
135.08104	4.5
135.11697	13.5
137.09639	4.2
137.13222	2.2
143.08543	11.0
144.09355	2.5
145.10127	38.9
147.08061	2.8
147.11690	25.9
149.09630	6.3
149.13242	12.5
151.11237	2.6
155.08594	3.7
156.09355	4.3
157.10129	17.9
159.11713	49.8
161.09665	3.7
161.13264	31.3
163.11188	4.2
163.14883	9.8
165.09189	2.2
165.12796	2.7
167.10738	5.5
169.10172	5.6
170.10825	2.9
171.11687	13.0
173.11871	2.2
173.13248	25.9
175.11188	5.1
175.14825	22.3
177.12819	3.5
177.16403	5.5
179.10704	5.5
183.11739	3.1
184.12630	2.4
185.13269	14.1
187.14816	18.9
189.12759	5.3
189.16397	42.8
191.14302	11.0
195.11832	2.4
197.13254	4.4
197.25258	2.2
199.14806	25.6
201.12691	2.1
201.16391	68.0
203.14384	4.4
203.17940	13.4
205.15886	8.7
207.13786	4.3
211.14902	4.6
213.16402	6.8
215.14337	8.1
215.17932	8.2
217.15887	50.4
219.17409	4.5
221.15320	7.4
223.14885	2.1
225.16368	2.2
227.84979	2.0
229.15968	2.2
229.19562	2.9
233.15440	8.9
235.16934	85.3
239.17947	4.2
241.19505	2.6
247.16934	42.7
248.17366	2.4
249.18469	3.8
261.18460	3.9
315.23334	3.5
387.30148	3.5
405.26901	2.6
405.31610	17.5
411.28558	2.8
421.31042	4.1
423.32614	20.9
433.31009	5.9
451.32059	51.0
469.33157	100.0
472.93808	1.9
487.28064	2.4
487.34250	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	487.3422
Annotation	Iridotectoral A
Peak:m/z	Relative Intensity
55.05492	21.3
57.07080	5.8
60.50858	4.3
60.86403	4.3
67.05502	46.3
69.07061	17.8
70.70004	15.6
79.05503	33.9
79.75362	4.4
81.03422	9.8
81.07063	65.0
81.80433	5.3
83.05041	4.8
83.08615	10.2
84.48312	6.1
91.05485	35.0
91.66818	4.5
93.07050	55.6
95.04974	8.6
95.08613	80.5
97.10187	7.5
105.06409	6.4
105.07048	91.6
107.08587	58.3
109.06516	4.9
109.10179	34.0
111.08080	8.5
113.05961	9.2
115.05484	7.0
117.07018	18.2
119.08591	100.0
121.06504	6.7
121.10147	39.4
123.08060	14.5
123.11655	9.7
125.06001	6.2
125.09677	5.1
128.06239	5.3
129.06979	15.0
130.07729	5.8
131.08591	49.7
133.06496	5.3
133.10139	55.1
135.11682	13.8
139.48473	5.6
141.06982	7.4
142.07805	8.4
143.08511	32.9
145.10117	74.1
147.07970	9.6
147.11670	42.0
149.09546	5.2
149.13293	25.2
155.08577	7.7
157.10156	33.6
159.11760	37.1
161.13264	33.5
163.14815	20.6
169.10104	16.6
171.11723	20.7
173.13231	43.5
175.14815	37.1
177.16373	22.6
183.11787	6.9
185.13292	18.8
187.14854	70.9
189.16388	76.8
197.13284	19.7
199.14806	29.6
201.16402	50.4
203.14294	13.5
203.17963	21.0
211.14854	12.8
213.16310	12.8
215.14354	16.5
215.17857	12.9
217.15869	23.2
221.15508	7.2
225.16394	11.2
227.18025	8.9
229.15822	8.4
231.17421	9.4
235.16937	11.8
237.16388	6.2
239.17854	6.1
242.67506	5.7
247.16983	13.0
261.18503	5.6
275.19476	4.8
281.22702	5.5
387.30481	8.6
405.31476	48.9
409.31198	11.5
423.32516	35.6
433.30969	21.7
439.32040	18.4
451.31909	54.6
469.33078	39.1
487.33926	21.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.3418
Annotation	Iridotectoral A
Peak:m/z	Relative Intensity
51.99908	3.3
55.05503	15.3
55.05759	4.1
60.60323	3.1
67.05511	20.1
69.07079	15.8
69.57177	18.2
71.04974	3.6
79.05500	29.1
81.07058	47.2
83.08615	9.6
91.05481	28.9
93.07046	47.2
95.04941	4.7
95.08614	57.2
97.06559	7.2
97.10182	3.8
99.08088	19.6
105.07033	76.9
107.08603	72.0
109.06515	10.2
109.10172	32.1
111.08091	7.4
115.81201	3.3
117.07012	13.7
119.07714	4.8
119.08583	100.0
121.10144	46.9
123.08105	8.5
123.11699	9.3
125.09632	4.8
125.49607	3.4
128.06209	4.3
129.06989	9.6
130.82283	3.3
131.08574	60.8
133.10139	81.1
135.08054	7.9
135.11697	25.9
137.09637	5.1
141.06989	4.0
142.07777	6.3
143.08557	34.5
144.78471	3.8
145.10126	79.3
147.11693	61.6
149.09625	5.9
149.13263	21.4
155.08562	9.0
156.09346	5.0
157.10150	50.5
158.10886	4.8
159.11707	61.4
159.12968	3.5
161.09660	9.0
161.13277	33.6
163.14830	14.9
167.10657	3.8
169.10146	11.2
170.10899	4.0
171.11699	33.2
173.13272	46.7
175.11134	3.9
175.14853	37.3
177.12706	4.8
177.16451	16.0
179.14357	6.1
181.12387	3.3
183.11641	19.6
185.13290	31.3
187.14828	72.6
189.16406	24.4
191.14346	4.7
195.11723	4.9
197.13239	31.0
199.14799	54.0
201.16400	70.9
203.14267	10.9
203.17950	7.7
205.15891	31.1
207.99643	4.3
209.13260	7.8
211.14862	14.6
212.76283	3.2
213.16341	33.1
215.17943	9.5
217.15939	24.4
219.17413	20.9
223.14909	8.0
223.16957	8.3
225.16422	15.3
227.18005	9.0
231.17383	7.8
239.17958	5.4
241.19569	4.2
243.17581	8.1
247.16777	4.7
249.14914	10.8
253.19460	7.9
281.22662	4.5
283.20432	6.5
333.25662	4.4
365.28363	10.8
375.30383	6.6
387.30475	10.9
393.31485	11.3
405.31506	48.4
411.28696	9.3
421.30930	6.8
423.32657	46.1
433.30975	10.8
439.32065	14.0
441.33768	33.3
442.34561	4.0
451.32108	38.5
454.14758	3.3
469.33347	40.6
487.34494	36.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.3419
Annotation	Iridotectoral A
Peak:m/z	Relative Intensity
55.05513	14.7
57.07057	3.7
67.05515	19.5
69.07061	16.1
70.57507	8.8
78.91882	2.8
79.05489	16.4
81.07059	41.8
83.04964	3.1
83.08606	13.4
85.06502	3.3
91.05479	25.5
92.84098	2.9
93.07043	38.1
95.04989	3.4
95.08064	4.4
95.08614	59.1
97.06516	7.7
97.10161	4.2
99.08084	3.6
105.07038	51.2
107.08604	72.4
109.06504	9.0
109.10148	29.1
111.08073	9.4
117.07014	8.8
119.08588	100.0
121.10151	44.5
123.08038	5.3
123.11691	14.9
125.09637	7.7
129.07007	5.7
130.07765	4.8
131.08575	53.1
133.10141	52.4
135.08046	4.9
135.11694	21.7
137.09596	3.7
141.06952	3.0
142.07718	4.8
143.08557	19.4
145.09067	4.5
145.10146	73.2
145.11276	3.5
147.11694	40.6
148.33716	2.9
149.13257	19.0
151.11168	4.9
153.09106	4.2
155.08522	4.9
155.20378	2.9
156.09267	4.8
157.10127	26.4
159.11708	49.7
161.13266	47.6
163.11165	6.3
163.14807	11.9
165.12758	4.1
167.10707	3.4
169.10126	13.0
170.10965	3.2
171.11670	14.8
173.13245	57.4
175.14827	47.0
177.12773	6.7
177.16417	22.7
179.14218	3.5
180.09088	3.1
181.12216	4.4
183.11720	8.8
185.13277	47.3
187.14838	55.2
189.16371	26.5
191.14264	12.7
191.17947	5.4
193.15932	7.5
195.11728	3.5
197.13284	11.6
199.14838	37.3
201.16393	65.5
203.14345	21.8
203.17949	16.5
205.15910	21.6
207.17360	5.2
209.13231	4.7
211.14897	5.1
213.16451	34.0
215.14432	4.1
215.17950	12.1
217.15916	18.1
219.17484	23.7
223.14905	5.8
223.16902	6.0
225.16386	9.9
227.17953	13.5
229.15816	5.3
231.17444	12.4
233.15436	4.2
233.19003	4.1
235.16946	3.5
237.16551	4.1
239.17946	7.1
241.19496	8.9
245.15353	9.9
247.16982	14.6
249.14873	31.3
253.19508	10.0
259.16953	10.9
261.14716	6.5
263.09219	3.2
263.16476	5.8
267.21194	4.3
273.18365	5.2
277.17990	5.1
279.21130	4.6
281.10434	14.8
299.11578	6.2
299.20255	7.3
309.22192	3.3
375.30450	4.1
387.30508	5.7
393.27762	9.9
405.31564	30.5
407.33044	3.6
411.28677	8.2
421.30960	9.8
423.32504	27.3
425.34161	4.8
433.31052	20.4
439.32095	12.3
441.33731	6.8
451.32150	46.2
469.33191	39.4
487.24097	6.7
487.34238	51.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.3418
Annotation	Iridotectoral A
Peak:m/z	Relative Intensity
51.23330	2.3
53.03944	4.6
55.05507	16.2
67.05513	23.3
69.07068	19.7
70.45836	7.1
79.05506	22.9
81.06599	3.5
81.07061	65.6
83.04952	3.7
83.08604	11.0
91.05489	24.8
93.06487	3.8
93.07050	51.1
95.04957	8.1
95.08616	68.6
97.06520	5.8
97.10171	3.7
103.05473	2.8
105.06402	4.8
105.07040	66.6
107.08599	72.7
107.34628	2.7
109.06492	4.2
109.10157	38.5
111.08059	4.6
117.06989	12.4
119.08591	100.0
121.10159	38.3
123.08021	5.9
123.11694	9.4
125.09601	4.2
127.07562	4.9
129.06989	9.3
131.08577	45.3
133.10136	49.8
135.11690	20.5
137.13219	2.9
142.07805	4.1
143.08556	25.1
145.10121	69.3
147.11696	42.4
149.09520	2.9
149.13264	32.3
155.08539	10.7
155.77339	2.7
156.09267	4.4
157.10143	33.9
158.10960	3.1
159.11702	47.7
161.09599	5.9
161.13254	33.7
163.11160	3.8
163.14848	18.1
167.10664	4.8
169.10129	10.6
169.52505	3.0
170.10904	4.0
171.11661	17.4
173.13275	43.0
175.14833	37.1
177.16425	14.5
179.10672	2.7
180.59074	2.8
181.10080	3.9
183.11699	12.1
185.13272	36.0
187.14841	56.5
189.16397	29.8
191.14285	7.9
191.18011	4.6
195.11635	6.5
197.13268	11.0
198.13974	3.7
199.14819	40.6
201.12770	4.4
201.14594	4.6
201.16400	60.0
203.14232	20.4
203.17999	15.1
205.15862	12.2
209.13371	6.1
211.14751	10.3
213.16391	26.0
215.14314	6.9
215.17903	8.6
217.15833	12.6
219.17422	12.5
221.13322	2.8
221.15230	6.5
223.14835	4.1
225.16347	10.5
227.17955	6.1
229.16016	4.2
229.19536	3.1
231.13878	3.6
231.17377	6.5
233.15323	5.6
235.17091	3.9
237.16476	4.9
239.17903	11.3
241.19429	3.8
245.15329	10.0
247.16913	11.4
249.14815	23.9
253.19533	5.8
259.16858	3.3
261.50140	2.9
279.20950	3.7
281.22720	7.6
285.18454	5.3
287.20010	3.3
307.23843	3.5
349.29022	6.8
355.02975	2.9
373.84448	2.8
387.30469	12.4
395.29538	16.2
405.31479	35.4
413.30569	6.3
423.32684	31.5
433.31061	30.2
439.32111	3.6
441.33594	5.0
451.32162	28.8
469.32828	20.7
487.34323	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	487.2542
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	8.6
55.01865	7.9
55.05505	21.2
56.96549	4.7
57.03439	5.0
57.07073	4.7
59.33723	3.1
61.02893	5.9
67.05503	28.0
69.03442	19.1
69.07072	28.8
69.26118	30.2
70.06589	6.4
71.04994	25.9
72.08164	3.6
73.02914	5.6
79.05498	33.8
81.03413	14.9
81.07059	90.4
83.04986	5.9
83.08614	11.5
85.02910	27.1
85.06538	7.5
86.09709	4.5
87.00823	12.8
91.05492	30.3
93.07048	56.4
95.04951	9.0
95.08047	5.5
95.08605	47.6
96.04497	20.4
97.02934	22.1
97.06534	29.3
97.10186	5.8
98.06858	4.5
98.97577	10.5
99.04458	8.8
99.08086	10.2
100.11261	3.7
101.02370	8.0
103.05410	4.4
105.01864	9.0
105.07043	50.1
107.04956	4.7
107.08601	84.7
109.02858	10.2
109.06532	9.6
109.10165	49.1
111.08078	6.2
116.98569	4.4
117.03365	4.5
117.07005	6.3
119.05003	4.9
119.08588	56.2
121.06458	6.8
121.10144	23.4
123.04401	6.2
123.08067	4.6
123.11710	29.7
125.09604	15.3
127.03905	12.5
127.11179	14.0
129.07042	3.7
131.08551	13.6
133.02840	3.5
133.06415	3.6
133.10133	46.4
135.04395	5.3
135.08092	6.3
135.11703	100.0
137.05981	8.2
137.09566	7.3
137.13271	10.5
139.03896	4.0
141.06993	3.5
143.08551	7.2
143.10699	19.7
145.02872	7.1
145.04939	4.9
145.10127	16.4
147.11702	41.8
149.05989	3.7
149.09637	5.7
149.13237	12.6
151.11200	5.5
151.14859	3.7
152.66313	3.3
153.12749	14.1
157.10100	8.6
159.08046	4.2
159.11694	13.0
160.05225	3.2
161.06111	3.4
161.09583	6.0
161.13248	16.1
163.03920	29.6
163.11157	3.9
163.14754	5.2
164.04219	4.7
165.09102	6.1
165.12730	3.9
171.11739	5.8
173.02380	4.6
173.13304	7.8
175.11200	3.2
175.14810	7.0
177.12788	5.6
185.13264	4.9
187.14784	5.9
189.16426	5.0
193.06560	3.3
193.10065	3.7
193.15892	4.5
197.13345	3.7
199.11307	3.5
199.14781	3.6
201.16438	3.2
203.17982	45.9
205.19521	4.1
215.07004	5.6
215.14261	6.2
216.07295	5.3
219.10110	4.0
221.19011	36.5
239.16441	8.5
259.09708	12.8
260.10037	19.7
303.06839	11.4
337.10803	3.6
467.53979	3.8
469.23950	6.0
487.14389	12.2
487.21420	27.9
487.32117	4.9
496.91815	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	487.2543
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	4.8
55.01860	2.8
55.05505	12.4
57.03411	3.1
61.02922	5.8
67.05511	18.9
69.03429	15.9
69.07073	18.3
69.36938	14.4
69.37344	4.9
71.04997	14.7
72.08149	2.8
73.02915	4.2
76.02226	5.3
79.05495	17.3
81.03431	11.6
81.07055	52.1
83.04968	2.5
83.08624	6.8
85.02896	28.0
85.06546	8.2
87.00839	9.9
90.84956	2.5
91.05477	19.2
93.07047	34.6
95.04985	8.2
95.08614	43.0
97.02889	22.2
97.06528	16.2
97.10162	2.3
98.97599	7.0
99.04482	3.1
99.08107	4.9
103.05488	3.0
105.01875	8.7
105.07019	27.3
105.07601	2.8
107.08588	41.6
109.02882	12.1
109.06512	3.3
109.10159	35.9
110.97559	4.0
111.04465	3.7
111.08090	6.5
111.11739	2.7
111.83434	2.1
115.03930	5.3
116.37959	2.4
116.98611	2.9
117.07024	6.1
119.08578	35.8
121.06487	4.1
121.10146	20.4
123.04393	2.8
123.08076	3.3
123.11731	22.1
125.09663	5.8
127.03939	16.2
127.11218	10.1
128.07127	3.8
131.08557	12.4
133.02893	4.3
133.10136	30.3
135.08098	2.7
135.11691	47.0
137.06003	4.1
137.09630	4.0
137.13289	6.0
143.08542	3.7
143.10756	2.7
145.04988	6.7
145.10141	12.9
147.08041	3.8
147.11679	24.6
149.09598	2.4
149.13277	8.7
153.12764	15.0
155.08621	3.0
157.10109	4.2
159.02844	4.1
159.08022	2.6
159.11693	11.9
161.09602	4.6
161.13278	13.8
163.03917	20.5
163.11203	2.9
165.09225	3.9
169.10121	4.0
171.11665	4.8
173.13342	7.9
175.14864	4.7
177.05507	3.7
177.08980	2.4
179.04941	4.4
179.14336	5.2
180.05289	3.5
180.14610	2.8
183.11617	5.3
185.13231	5.2
187.14789	6.7
189.09077	2.6
189.12865	3.8
189.16481	3.5
191.17976	4.2
201.05649	3.0
201.16418	3.7
203.14241	2.7
203.17952	46.7
213.16389	4.2
215.07094	4.5
216.07632	2.3
219.17456	13.5
220.17857	8.9
221.01180	2.8
221.18927	17.5
231.05110	3.4
239.20146	4.8
245.19102	2.8
249.02963	4.1
259.09610	5.0
260.09976	11.6
291.04095	3.7
308.12592	2.3
311.20084	3.6
335.09305	9.9
349.05505	7.2
354.16730	2.4
367.14014	2.7
405.31747	3.0
423.32388	5.7
451.32294	2.6
469.33252	5.3
487.19528	100.0
487.33170	14.4
489.57471	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	487.2543
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	13.6
55.01868	13.1
55.05510	49.4
56.96565	18.0
57.03429	17.0
57.07054	12.4
61.02921	11.9
62.33782	7.2
62.49738	6.9
67.05508	60.1
69.03416	30.9
69.07071	43.3
70.09896	26.7
70.10313	18.7
71.04989	31.3
73.02896	10.9
79.05502	45.7
81.03417	27.4
81.07059	94.0
83.04977	13.3
83.08610	29.8
85.02913	66.3
85.06538	14.2
87.00833	41.1
91.05489	37.2
93.07050	86.8
95.04959	22.7
95.08618	84.2
97.02909	49.1
97.06535	15.8
97.10197	19.0
98.97565	7.3
99.04447	16.2
99.07999	8.9
105.01881	12.7
105.05565	7.7
105.07039	46.4
107.08598	100.0
109.02872	19.6
109.06524	14.0
109.10159	54.1
115.03913	15.5
117.07020	15.0
119.08609	72.3
121.10146	41.7
123.04432	11.3
123.08113	14.1
123.11704	56.6
125.09650	18.2
127.03947	21.6
131.08559	24.6
133.10141	48.5
135.11694	79.5
137.13277	15.8
143.08545	14.3
143.10689	17.7
145.05000	8.7
145.10106	26.4
147.11690	37.3
149.09634	13.8
149.13255	44.3
157.10176	17.3
159.08005	15.4
159.11659	19.5
161.13277	24.8
163.03922	14.5
169.10100	12.0
171.11673	13.3
173.09584	12.2
173.13275	19.2
175.11292	8.1
175.14821	9.1
179.14348	10.6
187.11121	8.8
197.13234	8.5
199.14793	7.3
203.17999	33.0
205.19530	35.1
209.11789	9.0
221.19011	26.8
275.20209	8.8
329.21210	10.3
367.17804	12.2
487.30823	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	487.2154
Annotation	3"-Deamino-3"-hydroxykanamycin X
Peak:m/z	Relative Intensity
52.63026	0.3
55.05498	0.3
59.04993	0.8
61.02921	0.3
67.05491	0.4
68.72282	0.3
69.03419	0.6
69.07054	0.4
69.07584	0.2
70.06604	0.8
70.86723	0.7
72.08152	0.6
79.05479	0.4
81.07079	0.6
85.02898	1.0
86.09727	0.6
89.03906	0.5
91.05477	0.5
91.72526	0.3
93.07027	0.7
95.08614	0.3
96.34476	0.2
96.66568	0.2
97.02888	0.9
97.06517	0.8
105.07035	0.5
109.10169	0.3
117.03335	0.3
119.08559	0.3
123.04434	0.3
123.08111	0.3
123.11738	0.3
123.63048	0.3
127.03944	0.3
131.08586	0.4
133.10153	0.3
135.04407	0.9
135.11700	0.2
136.48900	0.3
139.11166	0.5
145.02838	0.8
151.03909	0.9
159.11641	0.4
161.05928	0.3
163.03911	5.6
192.06712	0.3
193.12138	0.3
203.05307	0.9
203.07137	0.3
259.09894	0.5
260.10068	0.8
275.07458	1.1
309.22800	0.4
325.16211	0.9
335.09494	9.5
344.22128	0.7
355.17279	4.6
443.18744	0.3
487.21500	100.0
488.15121	0.4
488.21826	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.1923
Annotation	Unknow
Peak:m/z	Relative Intensity
50.06276	1.1
53.03942	2.7
55.01862	1.6
57.03432	2.0
60.08149	1.9
61.02948	1.2
69.03437	13.0
70.06602	3.3
70.10765	5.4
71.04985	4.7
72.08150	2.5
81.03423	14.5
85.02887	4.8
86.09704	12.2
87.10049	2.4
91.05497	14.9
92.05804	1.6
97.02895	2.9
98.20796	1.7
98.97604	2.4
99.04482	6.1
104.10742	6.8
105.11036	2.1
117.05472	1.7
118.06528	3.2
123.04444	1.9
125.00030	6.8
139.03912	1.9
145.07680	2.8
147.09172	4.8
148.14044	1.0
161.05917	1.3
163.03883	2.3
173.07100	7.3
175.08728	5.6
184.07344	36.2
185.07684	12.6
190.09572	1.3
191.08182	100.0
192.07307	1.5
192.97946	2.5
195.40385	1.3
196.13354	1.4
206.11771	1.3
219.01715	1.9
225.87254	1.3
237.02797	1.1
278.11060	2.0
289.11993	1.6
307.12866	26.5
313.09894	1.6
325.13947	85.0
350.63629	1.2
405.67316	1.5
427.13144	3.5
451.22928	8.5
469.36093	1.1
470.18008	1.4
487.20490	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	487.1565
Annotation	Unknow
Peak:m/z	Relative Intensity
54.92520	0.8
56.96564	3.5
57.03438	0.8
60.27537	0.6
60.27840	0.7
69.03448	1.8
69.75067	1.5
69.75484	2.8
70.02962	1.2
73.02922	1.0
73.06567	1.3
74.02041	1.4
74.02447	25.6
79.05506	0.9
84.08129	0.9
84.96044	1.0
85.02900	3.8
87.05598	30.5
88.03986	7.4
89.03931	6.2
97.02920	1.9
98.21525	0.8
98.97581	2.4
103.29814	0.7
107.04962	2.0
110.97581	1.4
116.03465	6.9
117.03403	5.8
121.06509	1.4
127.03864	1.4
128.98604	1.9
133.06097	100.0
134.04477	1.1
135.04433	9.2
136.04730	1.1
143.00139	0.8
143.01895	1.1
144.98128	1.0
145.02760	5.0
146.03197	1.0
155.01875	1.3
158.99651	1.3
159.03226	0.8
161.01228	1.5
161.02927	1.6
163.03915	54.6
164.04219	9.1
169.03444	1.8
173.02809	0.7
185.02768	0.8
188.04649	0.7
203.02242	1.1
205.00189	1.4
215.04056	0.8
220.04190	0.8
221.04991	1.3
223.01216	1.6
229.00194	1.0
229.04747	2.7
237.00819	1.1
245.05147	1.8
246.05428	0.8
251.04465	1.0
256.19495	0.7
261.02869	0.8
267.03827	1.0
273.02750	0.9
275.06241	2.0
276.06320	1.3
277.05832	1.4
287.06201	1.3
291.04111	0.8
293.05490	0.8
295.83054	0.8
341.01981	1.0
372.98969	0.9
427.10739	2.7
487.07996	1.4
487.14484	1.0
487.22815	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	486.227
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	2.1
54.02112	1.3
55.01865	2.0
55.05513	7.7
56.96569	2.0
57.03428	2.6
57.07060	2.0
58.99582	12.8
59.04953	1.3
67.05505	30.4
69.03423	3.4
69.07073	9.9
69.22504	1.4
70.06585	2.5
71.05001	1.7
71.08633	1.3
72.08145	3.0
76.02227	64.1
76.03987	2.6
79.05480	14.3
81.03419	2.6
81.07059	33.8
83.04987	2.2
83.06081	2.4
83.08617	3.0
84.04505	19.9
84.08115	2.8
85.02892	3.5
86.99042	3.6
87.02682	1.6
88.02203	1.7
89.03904	1.6
91.05489	13.0
93.07045	15.5
94.07357	2.0
95.04982	7.0
95.08608	48.2
97.02898	3.1
97.06538	16.7
98.97585	1.6
99.04466	1.4
99.05531	2.0
101.66068	1.4
105.07030	15.9
106.07343	1.8
107.04913	1.5
107.08573	9.6
108.08929	1.4
109.06537	3.7
109.09470	2.5
109.10157	31.6
116.01681	21.0
117.07026	2.5
119.08578	16.5
120.08100	1.6
121.06522	2.9
121.10164	6.5
122.06830	1.5
123.08060	4.4
123.11736	3.1
127.03948	1.8
129.06718	2.9
130.05002	6.5
130.06848	3.3
131.08522	2.8
133.10110	6.0
134.09587	2.4
135.08069	2.9
135.11678	3.3
137.09618	2.5
139.03960	3.1
139.05772	2.4
141.04878	1.5
142.03192	4.7
144.01152	13.4
145.06169	1.7
145.10100	4.2
147.11670	4.2
149.09630	2.2
151.14813	19.2
157.10098	2.4
159.11732	1.8
161.09666	1.7
161.13242	13.8
162.02200	40.9
163.03888	11.7
170.02721	2.8
173.02368	2.6
179.04858	100.0
179.14301	27.3
185.13319	2.4
187.05385	2.5
203.17924	8.9
215.07059	5.7
233.05968	14.2
236.14757	2.9
237.13063	5.9
245.05850	3.0
254.15657	2.0
259.09683	27.4
291.06403	3.1
308.09045	18.5
339.17392	17.9
357.18283	2.5
393.18503	2.3
400.23517	1.5
411.19519	15.3
426.53125	1.5
468.21893	8.5
468.33438	2.4
469.51636	1.6
486.22076	7.8
486.28281	1.7
486.33685	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	486.2271
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	2.0
55.01869	1.5
55.05511	8.1
56.05043	1.1
57.03434	2.6
57.07072	2.0
58.99588	13.2
59.25354	0.8
67.05508	31.6
69.03431	1.7
69.07063	6.3
70.04060	5.0
70.06588	1.5
71.04961	0.9
71.53267	1.0
72.08149	1.3
73.01163	1.1
76.02229	57.5
76.04000	2.4
79.05502	9.2
81.06586	1.6
81.07059	25.5
83.04974	1.0
83.06105	3.4
83.08617	3.7
84.04044	1.7
84.04507	19.9
85.02911	1.7
85.06541	1.2
86.09721	1.1
86.99053	4.2
88.02214	1.5
91.05481	6.2
93.07041	11.8
95.04951	4.9
95.08607	44.0
97.02895	1.9
97.06532	18.2
98.97594	1.0
99.05588	1.1
100.02223	1.0
101.72237	0.9
105.07038	9.9
107.04880	1.0
107.08596	7.2
109.06517	2.9
109.10164	27.6
111.08077	1.3
112.03951	1.0
113.04216	2.0
116.01679	21.2
116.98660	0.9
117.06947	1.9
119.08581	10.6
121.06486	1.3
121.10136	3.6
123.08073	3.5
127.03941	2.0
129.06627	3.3
130.05011	7.4
130.06868	1.7
131.04913	1.4
131.08533	1.9
133.10130	4.9
134.09624	2.4
135.04395	1.3
135.11717	2.2
137.09627	3.4
139.05801	1.3
142.03200	4.5
143.08487	1.1
144.01141	10.1
145.02863	1.8
147.11736	1.0
151.14833	15.5
161.13269	9.5
162.02205	36.4
163.03880	9.4
166.09724	1.2
170.02750	3.2
173.02310	3.6
179.04855	100.0
179.14320	35.3
187.05405	2.9
201.12593	1.0
203.14256	0.9
210.69774	0.8
215.04936	1.9
215.06917	7.1
216.06940	1.6
220.17923	1.8
233.05882	15.2
233.09564	1.6
236.14688	1.7
237.13062	1.9
245.05960	2.7
254.15945	1.2
259.09665	27.0
290.17477	1.9
291.06409	1.9
308.09134	19.4
324.14673	4.7
339.17398	14.8
357.18494	2.0
393.18216	1.7
411.19464	18.4
468.21524	5.9
486.22806	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	486.1975
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02391	0.3
61.02927	0.2
62.79833	0.3
65.54637	0.2
69.03434	0.6
69.07072	0.4
70.06573	0.2
70.67490	0.5
72.08157	0.2
78.03452	1.7
79.05486	0.4
81.07069	0.3
83.04985	0.3
85.02902	0.7
86.09726	0.4
86.25063	0.2
86.33278	0.2
91.05477	0.8
95.04990	0.3
97.02892	100.0
97.06524	1.9
98.03244	0.3
105.07039	0.3
106.02917	4.9
111.04482	0.2
120.01186	0.3
122.02735	0.3
124.03960	6.5
124.04831	0.5
129.05463	0.3
131.17529	0.2
139.03893	0.4
156.51913	0.2
157.04999	0.3
163.03949	1.4
189.05533	0.3
196.06076	0.4
215.07060	0.9
220.06050	24.3
221.06586	0.3
238.07100	4.1
249.11295	0.4
256.08231	2.0
259.09650	2.8
266.35226	0.2
281.41879	0.2
290.47745	0.2
306.13248	0.4
324.14322	1.3
382.11633	0.3
400.12415	7.1
400.17465	0.5
486.19946	0.6
487.21417	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	485.3262
Annotation	Liquoric acid
Peak:m/z	Relative Intensity
53.03922	6.6
55.01875	5.8
55.05504	13.6
56.96545	4.9
57.03426	6.6
61.02906	8.0
67.05501	33.9
68.08235	3.8
69.03432	8.2
69.07062	27.0
70.06567	4.5
71.04980	5.1
71.52563	8.4
72.08135	6.8
73.02910	4.1
79.05500	30.5
81.03420	10.5
81.07055	52.5
83.04967	7.9
83.08592	8.9
85.02901	12.8
85.06507	4.2
91.03950	8.5
91.05472	28.2
93.07043	43.7
95.04963	12.1
95.08607	51.8
97.06541	55.5
105.07039	59.8
107.08601	60.0
109.02887	6.0
109.05775	3.9
109.06519	16.1
109.10145	29.1
111.08072	17.3
117.07014	15.2
119.08577	100.0
120.34353	3.7
121.06509	13.2
121.10152	43.4
123.04430	37.9
123.08094	20.5
123.11680	9.2
125.09645	8.3
127.03941	6.7
128.06277	7.4
129.06985	11.0
131.08559	36.3
133.10132	53.2
135.08061	10.0
135.11681	18.5
137.05984	6.1
137.09627	17.2
139.03906	35.5
139.11221	5.4
142.07735	5.6
143.08586	25.7
144.09306	8.0
145.06433	5.9
145.10112	53.6
147.04312	5.5
147.08047	11.9
147.11694	36.8
149.09549	4.3
149.13257	16.2
151.03911	36.6
153.09094	6.6
155.08568	7.7
156.09273	6.2
157.10136	33.1
159.11673	47.2
161.06000	5.8
161.09653	8.6
161.13258	16.1
163.03941	8.7
163.11212	10.8
163.14926	9.5
169.10135	15.4
170.10953	5.1
171.11673	20.7
173.06070	6.0
173.09570	5.4
173.13300	36.7
175.03928	7.8
175.11185	7.7
175.14767	33.2
176.04630	10.4
177.05466	8.3
177.12723	8.3
181.10037	4.8
183.11685	15.0
185.13263	28.3
187.14752	30.3
189.09036	6.3
189.12746	12.4
189.16385	15.5
191.07042	7.0
191.14337	20.3
193.08603	35.3
193.10178	7.3
193.12196	4.6
195.11713	4.4
197.13304	14.2
199.11156	5.6
199.14830	36.4
201.09161	13.9
201.12790	7.1
201.16364	50.6
203.14294	23.6
205.15875	17.6
207.13680	5.5
211.14833	12.3
213.16353	14.4
215.14394	7.6
217.08604	11.3
217.15852	36.7
219.10182	81.5
219.13614	5.6
219.17522	8.0
221.15199	5.6
222.99507	6.1
229.15884	8.3
231.13890	8.5
231.17404	8.2
233.15240	4.7
237.11195	9.9
237.16426	15.4
239.17947	7.0
245.15416	7.9
247.16986	15.2
249.14825	26.7
251.18042	8.1
261.14810	13.4
263.16360	8.2
269.11630	5.3
306.10321	5.0
385.28778	5.5
403.29935	22.9
409.30936	18.0
421.30997	32.2
423.18323	6.3
431.29504	9.5
437.30768	7.1
439.32318	23.4
449.19858	26.4
449.30411	33.2
455.31519	22.0
467.20880	6.2
467.31650	52.6
485.33035	57.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.3265
Annotation	Liquoric acid
Peak:m/z	Relative Intensity
51.22221	5.9
55.01859	7.5
55.05504	16.5
56.02427	6.1
57.03436	8.4
59.44260	6.1
65.03918	7.1
67.05501	27.2
69.07071	29.6
71.04985	10.1
71.53255	12.5
78.79248	5.8
79.05486	41.9
81.03430	9.0
81.07055	47.9
83.04983	11.9
83.08636	13.9
85.02988	8.3
91.05477	32.0
93.07052	49.2
95.04988	17.0
95.08609	45.7
97.02851	7.7
97.06539	48.3
97.10181	9.4
105.07034	58.7
107.08604	63.9
109.10181	26.2
117.07056	15.3
119.08591	71.6
121.06553	9.2
121.10150	44.7
123.04433	37.5
123.08105	12.6
123.11707	11.9
129.07019	10.5
131.08562	39.2
133.10149	27.2
135.04350	7.4
135.08043	8.0
135.11699	12.9
139.03917	23.2
142.07759	12.7
143.08543	22.8
145.10121	58.6
147.08060	9.6
147.11707	24.3
149.09660	14.9
149.13240	19.0
151.03929	51.3
151.07596	6.2
155.08577	9.3
157.10098	40.1
159.11702	36.9
159.12898	6.1
161.06010	14.3
161.13329	28.8
163.03931	17.0
163.11191	14.6
167.10693	18.2
169.10106	13.1
171.11671	24.1
173.13269	38.4
175.14847	27.8
176.04773	7.5
177.05571	7.7
183.11804	14.7
185.13261	23.4
187.14729	31.7
189.12761	8.4
191.14313	7.6
193.08603	61.3
197.13312	9.4
199.14816	35.2
201.09167	22.0
201.12820	13.1
201.16357	29.3
203.14255	13.7
203.17953	7.6
209.13287	9.5
213.16399	13.5
215.14430	7.7
215.17973	6.9
217.08658	13.8
217.15836	13.0
219.10175	100.0
219.17456	11.0
221.15359	7.9
225.16521	8.6
233.15326	8.6
237.11234	15.6
245.15347	11.5
247.16943	14.0
249.14771	9.2
261.11353	6.0
261.14719	13.0
264.89166	6.3
275.20096	12.9
301.18088	7.2
369.13577	7.5
400.69644	7.6
403.30017	20.0
421.31006	38.0
423.17783	8.4
439.32214	18.3
449.19565	25.9
449.30380	39.7
458.01007	7.5
467.21033	12.9
467.31757	57.6
485.33408	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	485.3261
Annotation	Liquoric acid
Peak:m/z	Relative Intensity
53.03954	4.3
55.01867	6.2
55.05508	16.7
56.96554	5.2
57.03434	5.8
57.07082	5.0
58.43953	2.4
59.04987	2.7
61.02937	12.8
61.03176	2.3
64.19279	2.8
65.03930	3.4
67.05168	4.0
67.05501	36.7
69.03416	4.6
69.07070	23.1
69.24047	9.2
69.24475	13.4
70.06592	4.6
71.04993	4.5
72.08164	18.4
72.88712	2.9
73.02903	4.5
79.05491	29.9
81.03410	11.2
81.07056	63.9
83.04971	6.9
83.08614	10.4
85.02894	19.8
85.06526	3.6
87.81979	2.3
91.03934	12.4
91.05482	38.3
93.07042	54.0
95.04976	16.1
95.08606	80.1
97.02896	9.3
97.06536	39.0
97.10139	3.5
98.09713	16.1
98.25069	2.7
98.66637	2.3
99.08081	4.2
103.05492	2.5
105.07039	71.7
107.04981	5.0
107.08594	61.6
109.06507	7.0
109.10155	31.9
111.04431	3.4
111.08081	6.2
113.06000	2.6
115.05466	2.6
115.12362	4.3
117.07016	18.8
119.08586	100.0
121.06498	9.4
121.10152	37.9
123.04411	11.8
123.08075	9.0
123.11724	7.8
125.09614	2.9
126.09138	3.3
129.07002	11.5
130.07784	3.0
131.04909	3.8
131.08578	54.1
133.06471	5.3
133.10138	47.2
135.08005	6.0
135.11687	21.8
139.03883	13.5
139.07516	3.4
141.07008	5.3
142.07782	7.3
143.08562	30.7
144.09378	3.3
145.04913	3.5
145.06468	5.0
145.10129	65.1
147.04352	2.9
147.08022	15.4
147.11679	34.0
149.05980	3.7
149.09648	7.0
149.13257	13.1
151.03946	21.4
151.07497	5.6
153.09138	4.4
155.08530	9.7
156.09293	4.3
157.10127	29.6
158.10880	5.4
159.08092	5.6
159.11697	39.8
161.05951	3.8
161.09604	6.3
161.13261	27.2
163.03949	4.3
163.07472	3.4
163.11180	7.0
163.14873	13.6
165.09138	5.9
165.12816	3.4
167.10736	3.0
169.10098	11.0
170.10893	3.1
171.08018	3.9
171.11671	22.7
173.09685	6.7
173.13263	44.5
173.28566	2.7
175.07549	2.4
175.14818	42.3
176.04694	3.8
177.05437	3.3
177.09058	3.2
177.12756	8.6
177.16368	10.7
181.10112	5.9
183.11710	12.1
184.12364	3.4
185.13271	44.9
187.11266	4.5
187.14806	57.2
189.09071	2.6
189.12804	6.2
189.16385	33.9
191.10709	3.0
191.14296	11.6
193.08655	16.4
193.15813	3.6
195.11790	5.7
195.13660	9.3
197.13219	13.9
199.11118	4.9
199.14827	33.2
201.09122	5.8
201.12735	11.3
201.16408	40.6
203.14333	34.3
203.17860	7.9
205.15878	10.8
209.13239	6.3
209.15283	2.9
211.14798	11.4
213.12778	3.9
213.16391	16.6
215.10950	2.5
215.14404	14.2
215.17938	3.7
217.08606	6.3
217.15897	17.6
219.10146	29.4
219.13774	7.5
219.17415	4.5
221.13307	5.7
221.15396	5.9
223.14848	5.7
223.16830	2.6
225.16354	6.7
227.14322	5.8
227.17963	5.5
229.15849	7.0
231.13882	3.0
231.17493	4.1
233.15343	7.6
235.16922	4.9
237.11211	5.5
237.16472	4.3
237.95670	2.8
239.17897	4.9
241.19713	3.1
245.15358	11.5
247.16936	9.4
249.14784	22.3
249.18562	4.4
255.17494	2.9
259.16974	5.9
261.14941	5.4
263.16251	4.3
265.19678	2.7
269.11444	2.3
273.18481	5.8
281.10797	3.2
281.22388	3.3
288.46387	2.7
293.21008	2.9
297.22046	3.3
312.63705	2.6
315.23169	3.8
367.26346	3.3
375.30515	5.3
385.28720	4.5
391.29877	6.2
403.29980	27.0
405.31818	2.8
407.28931	3.5
419.29788	3.7
421.30984	43.9
423.18158	4.1
423.32794	5.0
431.29492	10.1
437.30551	2.8
439.32269	22.6
449.20026	13.0
449.30569	27.2
464.73834	2.9
467.20441	4.4
467.31668	33.4
485.32782	74.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.3266
Annotation	Liquoric acid
Peak:m/z	Relative Intensity
53.03942	7.7
55.01863	3.9
55.05515	17.6
57.03433	5.5
57.07074	3.5
65.03929	5.3
66.87457	2.7
67.05503	26.1
69.03419	11.8
69.07079	20.9
69.52617	5.7
69.53032	17.6
79.05509	21.1
81.03415	7.7
81.07058	39.5
83.04961	6.8
83.08616	12.4
85.02888	7.8
85.06551	5.3
86.09722	3.9
91.05485	23.7
93.07052	49.8
95.04960	20.8
95.08610	66.2
97.02889	10.7
97.06522	7.3
98.97565	3.6
99.04492	4.0
99.08064	4.8
105.03369	8.9
105.07030	52.4
107.08606	66.0
109.06516	11.3
109.10166	34.1
111.08070	6.5
115.05449	3.6
115.38464	3.2
117.07018	14.9
119.08589	100.0
121.06525	8.0
121.10157	48.3
123.04382	4.6
123.08051	9.6
123.11697	10.7
125.09597	5.3
127.03926	8.1
128.06207	5.6
129.06989	12.8
131.08585	43.3
133.06505	5.1
133.10139	63.0
135.08057	13.9
135.11684	24.1
137.09578	7.8
137.13205	4.2
141.07037	4.7
142.07765	5.8
143.08556	37.5
145.04984	4.3
145.10133	78.5
147.08017	15.0
147.11684	39.4
149.09590	10.6
149.13264	16.9
151.11258	4.6
155.08543	11.0
156.09322	8.1
157.10133	40.6
159.11707	47.3
161.09668	16.9
161.13249	39.5
163.03935	6.5
163.11163	12.9
163.14806	19.1
164.11589	3.7
165.12825	4.8
168.09262	3.4
169.10110	23.7
170.10902	6.8
171.11696	30.3
173.09583	7.6
173.13271	45.4
175.11176	8.7
175.14842	38.2
177.12846	5.1
177.16351	15.0
179.10617	3.1
179.14351	6.9
181.10106	10.9
181.12244	4.4
183.11699	28.6
184.07372	6.2
184.12363	3.3
185.09546	3.7
185.13232	34.0
187.11166	5.1
187.14832	42.0
189.12770	55.6
189.16386	19.0
191.14305	18.6
194.62920	3.2
195.11783	7.0
196.12592	3.3
197.13251	20.3
199.11255	5.8
199.14851	30.7
201.12740	5.3
201.16382	49.5
203.14310	23.3
203.17944	28.7
205.15901	8.2
207.11758	4.5
207.13841	4.8
209.13225	8.9
209.15338	3.4
211.14754	12.3
213.12881	5.2
213.16403	27.9
215.07129	4.2
215.14294	19.1
215.17935	11.2
217.15874	10.8
219.13795	8.2
219.17464	6.7
221.15314	7.1
223.14793	7.6
225.16374	14.5
227.17967	8.9
229.15883	14.4
229.19528	3.8
231.17456	7.1
235.14874	8.1
235.16966	4.4
237.16519	42.5
239.17940	14.3
241.15683	4.4
241.19519	8.3
243.17494	7.0
245.15355	8.7
247.16873	6.9
249.14587	5.3
249.18590	6.2
251.18027	6.7
253.15860	4.2
253.19559	25.5
255.17567	4.0
256.16220	6.9
259.16962	9.6
273.18649	4.9
277.19476	6.7
279.20959	5.2
283.16959	5.5
297.18558	7.1
299.20071	11.6
307.24139	4.3
315.19626	4.1
319.24149	7.1
345.25806	5.9
373.29059	5.6
385.28918	14.6
391.29913	14.7
403.29984	42.6
405.31476	8.6
419.29385	6.1
421.31168	41.4
423.32419	10.6
431.29382	16.9
437.30508	22.2
439.32047	12.0
441.33347	7.3
444.65485	3.4
449.30530	55.6
467.31662	44.6
485.20566	23.5
485.32712	67.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.3263
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	3.0
55.05516	13.9
57.07067	2.4
67.05511	17.8
69.07079	13.3
69.67332	13.8
79.05496	18.8
80.59719	2.3
81.07061	45.0
83.08616	4.6
84.99831	2.7
85.06508	2.8
91.05486	23.4
93.07048	34.4
95.04956	4.4
95.08607	51.2
97.06525	6.8
98.21534	2.8
103.05490	2.9
105.07035	64.8
105.07700	5.2
107.08602	54.8
109.06527	8.5
109.10162	27.7
111.08090	8.2
115.05460	4.1
117.07034	18.0
119.08582	100.0
121.06521	4.7
121.10148	34.5
123.08071	7.5
123.11720	8.2
125.09600	3.4
128.06230	6.2
129.07005	8.1
130.07794	4.2
131.08574	58.1
133.10135	52.9
135.08075	6.0
135.11700	12.2
137.09648	4.8
142.07794	14.3
143.08577	33.8
144.09335	10.0
145.10130	96.9
147.11696	30.5
149.05983	2.8
149.09657	7.4
149.13242	10.4
155.08574	10.2
156.09338	9.8
157.10135	54.9
157.11342	4.8
158.10916	7.5
159.08090	3.6
159.11705	75.0
161.09628	7.2
161.13251	27.7
163.03929	4.1
163.07565	6.3
163.11188	9.1
163.14845	8.6
167.10654	5.6
169.10167	13.9
170.10901	7.7
171.11685	33.3
173.09695	4.4
173.11790	5.4
173.13264	85.4
175.11145	5.4
175.14839	36.1
177.12772	8.4
177.16356	12.8
179.14314	2.7
181.10143	4.3
182.10930	4.0
183.11714	19.8
184.12489	5.6
185.13255	37.9
187.11305	5.2
187.14821	58.6
189.12759	10.2
189.16418	10.6
191.14368	7.9
193.08632	3.2
195.11693	6.1
197.13249	25.9
199.14828	67.2
201.12738	38.4
201.16402	42.6
203.14326	12.4
203.17972	9.3
205.12288	8.1
205.15871	31.8
207.17441	3.1
209.13295	8.2
211.14909	11.4
213.16406	13.2
215.14357	10.8
215.17924	4.2
217.15829	16.2
219.10216	4.6
219.13823	9.1
219.17480	5.7
221.15382	4.7
223.14958	4.9
223.17003	10.5
225.16417	5.7
227.14330	3.0
227.17946	3.9
229.15868	7.9
231.13692	3.4
231.17450	4.6
233.15433	3.4
237.16454	3.5
239.17719	4.7
243.17627	4.8
245.15366	11.1
247.13321	21.2
247.16872	13.5
253.19476	3.0
261.14850	10.3
279.21036	3.8
291.44678	2.8
345.25574	4.0
347.28711	3.0
373.28827	4.8
385.28857	6.4
391.30167	4.1
403.30017	21.4
405.31680	7.5
419.29642	12.5
421.31104	18.5
423.32852	3.4
431.29520	15.2
437.30399	4.3
439.32034	8.3
449.30600	38.3
467.31656	19.7
485.32773	53.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.3264
Annotation	Ganolucidic acid E
Peak:m/z	Relative Intensity
53.03947	6.7
55.05508	15.7
59.05002	3.5
65.61785	2.9
67.05511	25.9
69.03412	2.9
69.07059	15.3
69.75932	16.9
79.05501	28.3
81.03414	4.4
81.07057	60.0
83.04967	5.2
83.08611	7.6
85.06507	3.0
91.05472	44.1
93.07047	59.3
95.04957	7.1
95.08613	63.8
97.06533	11.9
97.10155	5.2
103.05467	5.7
105.07033	97.8
107.08595	61.4
109.06516	9.9
109.10168	32.3
111.08072	6.1
117.07031	23.2
119.08585	100.0
119.87271	3.2
121.10139	29.3
123.08052	8.1
123.11703	12.0
125.09616	4.9
127.07579	5.2
128.06229	8.0
129.07001	11.3
131.07603	5.4
131.08575	65.3
133.10141	43.9
135.08012	4.0
135.11671	13.1
139.03864	2.9
141.06995	4.5
142.07790	10.5
143.08562	43.1
144.09372	7.1
145.10120	96.1
147.08055	4.6
147.11705	40.4
149.05980	6.3
149.09624	3.3
149.13264	30.3
151.03900	6.7
155.08531	16.1
156.09334	13.5
157.10136	55.0
158.10841	3.6
159.08080	6.8
159.11697	76.1
161.13284	31.5
163.07547	8.5
163.11130	4.9
163.14832	10.5
163.39194	3.3
165.09126	3.3
168.09309	7.2
169.10139	14.0
170.10861	4.7
171.11728	30.4
172.12431	4.2
173.09618	4.3
173.13261	82.7
175.11128	4.5
175.14864	35.9
177.12813	3.7
177.16454	6.0
181.10155	6.4
182.10936	5.0
183.11707	43.9
184.12473	3.4
185.13286	37.1
187.11185	4.4
187.14836	49.4
189.09142	6.2
189.12700	6.1
189.16374	15.0
191.10547	5.3
191.14310	10.6
193.08595	6.2
195.11772	9.1
197.13286	20.6
199.11171	10.3
199.14812	46.9
201.12775	97.9
201.16357	30.1
203.14293	20.0
203.17957	8.6
205.12297	19.3
205.15909	10.7
207.11618	5.7
209.13286	8.2
211.14847	15.7
213.16412	15.1
215.14413	17.3
215.17931	6.8
217.15825	19.9
219.10251	8.0
219.13699	15.4
221.13394	4.8
221.15390	13.0
223.14742	4.6
229.15900	6.3
231.17455	7.8
233.15306	3.9
235.14902	7.2
237.16331	5.6
239.17992	4.8
243.10193	4.4
243.13657	3.3
245.15413	13.0
247.13272	54.8
247.17024	3.9
249.14818	9.9
251.17851	4.8
257.15350	3.1
261.11295	4.9
261.14813	10.0
263.17880	3.4
281.19244	3.4
288.39932	3.4
345.25482	3.9
347.27197	6.4
363.26666	4.9
365.28397	10.8
385.28906	8.5
387.30502	3.7
391.30331	3.4
393.27856	22.4
403.30002	29.5
411.28879	13.7
419.29199	4.6
421.31082	18.9
423.32529	4.6
431.29553	17.5
437.30676	5.6
439.31802	5.0
449.30435	37.4
467.31680	40.2
485.32767	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	485.3267
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	1.4
55.05515	6.3
56.09368	1.0
56.96569	1.2
57.03452	1.4
57.07068	1.0
65.03967	1.4
67.05509	7.9
69.03434	3.8
69.07076	6.6
69.32505	3.9
69.32935	5.1
70.06607	1.9
73.02917	1.2
78.13010	1.3
79.05504	9.0
81.07063	16.5
83.04984	3.9
83.08634	3.1
85.02905	3.2
85.06544	1.5
87.09995	1.2
91.05481	11.1
93.07053	18.0
93.92762	1.2
95.04995	3.1
95.08614	25.8
97.02923	1.5
97.06528	4.1
98.21545	2.1
99.08094	1.7
105.07043	25.8
107.04998	1.7
107.08598	34.5
109.06532	3.8
109.10151	11.8
111.08102	4.3
115.05457	1.9
117.07040	6.8
119.05018	1.2
119.08590	51.2
121.05726	1.2
121.06519	3.6
121.10148	21.5
123.04424	3.0
123.08088	5.1
123.11739	3.9
125.09657	2.4
128.06219	1.9
129.07025	4.8
130.07779	1.7
131.08569	17.8
133.10133	29.8
135.08029	5.6
135.11728	8.7
137.09647	3.6
141.07021	2.1
142.07817	2.6
143.08582	13.5
144.09341	2.5
145.10129	34.5
146.10573	1.6
147.04434	5.0
147.08089	2.7
147.11679	20.7
148.04807	2.8
149.06012	1.3
149.09627	4.4
149.13266	6.0
151.03807	1.2
151.11154	1.9
155.08614	4.8
156.09364	4.5
157.10141	19.4
158.10887	2.2
159.11707	22.7
161.09644	4.2
161.13261	13.4
163.03920	6.9
163.07556	1.6
163.11259	4.5
163.14795	6.2
164.04207	3.5
164.11574	1.3
165.12790	1.8
167.08569	1.4
168.09378	1.8
169.10098	6.2
170.10896	4.4
171.11716	15.0
171.70886	1.4
173.09718	1.4
173.13264	23.8
175.11224	3.5
175.14830	12.5
177.09216	2.0
177.12766	2.1
177.16423	4.8
179.10811	1.5
179.14362	1.5
181.10208	1.6
181.12253	1.7
182.10994	1.5
183.11647	9.5
184.07457	2.4
184.12364	1.5
185.09677	1.3
185.13257	16.4
187.14833	25.7
189.12781	4.2
189.16483	5.3
191.14323	11.4
193.10265	1.4
193.12305	1.6
193.15939	1.6
195.11696	2.7
196.12466	1.5
197.13287	7.3
198.14063	1.5
199.14847	18.1
201.16393	20.2
201.18221	1.2
203.14363	4.7
203.17996	2.3
205.15811	5.3
207.11885	1.3
207.13783	2.0
209.13344	3.4
209.15263	1.5
211.14819	7.3
213.12920	1.5
213.16394	13.7
215.10803	1.3
215.14297	5.3
215.17911	2.9
217.12332	1.7
217.15906	6.8
219.13884	2.1
219.17435	2.8
221.15381	2.0
223.14888	3.0
225.16476	3.9
227.18050	5.0
229.15997	3.7
231.13887	1.8
231.17546	3.4
233.15404	3.8
235.16934	2.2
237.16431	1.6
239.17924	3.2
241.19511	1.7
243.17537	1.8
245.15401	3.1
247.14722	1.3
247.17009	3.5
251.18015	2.4
253.19511	2.9
255.17479	1.7
257.19049	1.6
259.16937	10.5
261.16382	1.5
265.19684	1.8
267.17780	1.3
267.21054	1.5
269.18759	1.3
273.07730	1.4
273.18546	3.0
285.18484	1.8
287.20126	1.3
299.20145	2.5
319.24158	1.7
323.14746	5.8
342.20581	5.1
363.26831	1.4
365.24600	1.5
370.20157	1.6
373.28793	2.8
385.29016	2.4
391.30005	9.1
393.31824	1.4
403.29996	14.8
405.31619	5.2
409.31232	2.7
419.29541	5.5
421.31009	12.5
423.32593	1.7
431.29623	6.1
437.30438	12.2
439.32059	8.5
441.33807	1.4
449.30511	14.9
455.31744	2.1
467.31580	11.9
485.20004	100.0
485.26093	3.8
485.32379	12.5
486.20343	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.2876
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	3.5
57.03445	7.2
57.07079	22.8
67.05228	0.7
67.05511	7.6
69.07069	4.8
71.07035	0.9
71.08295	1.3
71.08637	17.4
79.05479	1.1
81.07049	7.4
82.93668	0.9
83.04974	1.0
83.08614	4.6
85.10187	9.2
89.06010	2.6
91.05453	1.3
95.08610	6.6
97.10155	2.4
98.20708	2.1
98.98472	4.6
105.07072	1.3
109.10146	5.6
119.08573	1.2
121.10090	1.0
123.11703	2.3
155.01009	3.7
161.84375	1.1
222.84595	1.0
239.23622	1.3
255.64294	1.0
257.24704	1.9
271.69962	0.9
313.27371	100.0
336.02972	1.0
449.26456	3.6
485.33142	1.9
486.32358	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.3265
Annotation	Liquoric acid
Peak:m/z	Relative Intensity
53.03946	1.5
55.05504	6.5
57.03439	1.9
57.07069	1.3
57.80093	0.7
61.56872	0.9
65.03956	0.9
67.05503	6.9
68.26839	0.8
69.03431	1.6
69.07070	6.4
71.04987	0.7
75.82677	0.8
79.05503	9.5
81.03404	0.9
81.07057	15.6
83.04967	1.7
83.08620	5.6
85.02913	1.1
85.06542	1.2
90.31037	0.7
91.05479	9.5
93.07047	16.1
95.04985	4.0
95.08607	19.1
95.09175	1.4
95.57757	0.8
97.06538	21.3
97.10159	0.8
99.08086	1.2
105.07038	24.8
107.08601	25.0
107.09312	1.6
109.06526	6.6
109.10162	12.2
111.08070	6.2
115.05482	1.0
117.07014	4.0
119.08585	40.1
121.06516	3.0
121.10145	15.4
123.08092	7.4
123.11712	2.5
125.09616	5.2
127.07540	1.0
128.06229	1.4
129.07028	3.4
130.07843	1.5
131.08580	19.3
133.06494	1.0
133.10132	23.4
133.11092	1.4
135.04478	0.9
135.08104	3.1
135.11655	4.9
137.09610	3.1
139.03905	1.5
141.07007	1.4
142.07780	2.4
143.08560	12.5
144.09413	1.9
145.10136	23.9
147.08078	2.3
147.11702	14.6
149.09647	5.2
149.13295	2.9
151.07542	1.7
151.11188	1.1
153.09094	3.3
155.08585	2.2
156.09360	2.7
157.10139	15.9
158.10953	1.5
159.08105	1.0
159.11700	19.9
161.09665	3.3
161.13254	10.6
161.28255	0.8
163.11206	3.6
163.14799	1.8
165.09151	1.0
165.43840	0.8
167.10706	5.8
169.10196	3.6
170.10963	2.4
171.11687	9.7
172.12466	1.1
173.09613	1.7
173.13271	18.6
174.13940	0.8
175.11224	3.2
175.14859	13.6
177.09178	0.8
177.12778	2.8
177.16443	2.3
179.10680	1.2
182.10997	2.2
183.11739	3.6
184.12456	1.6
185.13272	32.1
187.11292	1.4
187.14845	18.0
189.12737	2.7
189.16418	8.0
191.14345	6.0
193.15869	1.1
195.11771	1.8
197.13309	3.4
199.14836	19.2
201.12776	1.4
201.16388	16.7
203.14330	17.0
203.18066	2.4
205.15857	4.9
207.13811	1.6
211.14801	3.7
213.16339	4.8
215.14366	5.3
217.15883	29.6
219.10146	1.7
219.13847	1.3
219.17471	2.5
221.15411	2.6
225.16452	1.3
227.14276	1.0
227.17906	4.2
229.15892	2.7
231.13797	2.1
231.17430	3.8
233.15298	6.2
235.16966	10.9
239.18010	1.8
245.15376	7.0
247.17009	3.4
249.14842	16.4
253.19437	1.5
255.17441	0.8
255.21297	1.4
257.18976	1.0
259.17004	1.7
261.14929	3.1
263.16309	4.2
267.21310	0.9
273.18546	1.5
403.29962	5.9
405.31650	1.1
421.31085	10.4
431.29398	2.2
437.30682	3.1
439.32166	4.8
449.30490	11.7
449.36377	1.1
467.31595	42.3
474.45343	0.8
485.32678	100.0
486.33090	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	485.2385
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	1.5
55.01866	1.2
55.05497	2.6
57.03431	4.5
58.06062	0.6
59.04970	0.7
61.02916	1.3
67.05500	3.3
67.89484	0.7
69.03433	22.4
69.07072	18.4
69.93459	3.3
71.04987	2.6
71.80889	0.6
79.05485	3.2
81.03422	3.5
81.07063	7.2
81.61269	0.7
83.04984	5.8
83.08613	1.5
85.02907	14.0
85.06541	1.3
86.09736	0.7
87.04464	3.5
90.33474	0.8
91.05489	5.7
93.07053	6.4
95.04948	2.1
95.08617	6.4
97.02900	16.5
97.06512	1.3
98.21436	0.9
98.97588	1.6
99.04445	2.0
104.10718	1.1
105.07036	6.5
107.04939	0.8
107.08603	13.9
109.02858	2.4
109.06510	2.6
109.10117	0.7
111.04438	1.2
111.08078	6.8
115.03922	5.3
115.05463	0.7
117.07005	1.7
119.08577	8.1
121.06506	3.3
121.10163	8.8
123.04413	1.2
123.08074	7.8
127.03909	4.0
129.06973	1.5
131.08574	14.2
133.04968	2.2
133.06474	0.7
133.10138	11.1
135.08061	20.1
135.11696	2.8
139.03944	1.4
143.08556	3.1
145.04965	1.7
145.10095	5.5
147.08116	0.9
147.11740	3.6
149.09599	6.9
149.13255	2.7
150.10397	0.8
153.05550	0.9
153.55574	0.6
158.10889	6.7
159.11659	1.1
161.09669	1.2
163.03931	1.4
163.14841	3.2
170.10919	0.8
171.11703	2.4
173.13268	36.9
175.14803	0.9
176.12006	0.9
177.05515	0.9
181.05051	0.9
184.07381	2.0
185.13329	0.9
189.12732	1.1
191.14314	100.0
209.15370	2.7
215.14412	1.3
246.21466	0.7
277.10922	0.8
287.16492	0.9
305.17477	12.7
430.02832	0.8
485.12524	2.2
485.23947	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	485.2386
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03958	0.9
55.01870	0.7
55.05499	1.5
56.96570	0.6
57.03426	0.6
57.07069	0.4
61.02908	0.5
67.05232	0.4
67.05505	3.6
69.03436	2.0
69.07069	2.7
69.38924	1.7
69.39355	1.1
71.04975	1.4
76.02165	0.4
79.05495	2.6
81.03402	1.4
81.06592	0.5
81.07063	7.6
81.49044	0.3
83.04968	1.0
83.08623	1.6
85.02914	3.8
85.06542	0.9
86.09685	0.4
87.00816	1.4
91.05483	3.1
93.07047	6.1
95.04953	1.5
95.08611	5.0
97.02908	1.9
97.06536	6.7
98.02489	0.4
98.20750	0.5
98.97569	1.0
99.04477	0.4
99.08099	0.7
105.01874	1.6
105.07034	7.4
107.08607	6.9
109.02863	0.9
109.06527	1.3
109.10160	5.6
110.97556	0.4
111.08084	17.2
112.08430	0.4
116.98662	0.4
117.07007	1.2
119.08591	6.8
121.06480	1.4
121.10146	5.7
123.04441	0.9
123.08070	1.4
123.11713	2.1
125.09613	2.0
127.03916	1.6
127.11230	0.5
129.06981	0.9
130.07777	0.6
131.08559	3.1
133.10147	6.0
135.04311	0.4
135.08043	2.4
135.11703	4.1
137.09648	1.0
137.13203	0.4
139.03902	0.4
139.11145	0.5
143.08574	1.8
143.10686	1.1
145.04921	1.0
145.10143	5.1
147.08047	0.7
147.11694	6.9
149.09589	1.0
149.13260	1.1
151.03925	0.7
151.11137	0.4
155.08604	0.6
157.10121	1.8
158.10919	0.7
159.08072	0.5
159.11700	4.0
161.09639	1.3
161.13245	3.3
163.03902	1.7
163.07513	0.4
163.11191	5.3
163.14822	0.6
169.10150	0.9
171.11668	1.2
173.02353	1.8
173.13264	1.9
174.02710	0.7
175.02890	0.4
175.11224	0.4
175.14803	1.4
176.11963	0.4
177.05482	0.6
177.12741	0.7
181.60555	0.4
183.11679	0.7
185.13251	1.4
187.14784	1.8
189.12764	5.3
189.16449	0.6
191.07056	1.7
191.14250	0.8
191.17964	0.5
193.08568	0.4
197.13252	0.7
199.14781	1.6
201.16397	3.1
203.14363	0.6
203.17952	0.8
204.15097	9.7
209.13100	0.4
213.16425	1.0
215.07060	2.1
216.07457	0.4
217.07443	0.4
217.15816	0.6
219.17445	100.0
220.17760	1.0
229.15938	0.6
231.05022	0.5
237.18452	2.6
241.08650	0.4
247.16972	0.5
249.03072	0.5
249.14671	0.5
255.21101	0.4
259.09683	3.0
260.10120	1.0
261.10254	0.5
272.88443	0.4
273.11227	1.3
274.11600	0.7
275.11819	0.5
403.29977	0.8
421.31058	1.2
423.25287	0.4
439.31894	0.8
449.30411	1.4
467.31134	1.2
485.18655	1.6
485.33209	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	485.2384
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	1.0
55.01870	1.1
55.05503	2.9
56.96563	0.7
57.03431	1.3
57.07056	1.3
59.04976	0.5
61.02916	0.9
63.98310	0.5
67.05505	3.4
69.03432	4.8
69.07069	3.6
70.00140	2.6
71.04973	0.6
73.02898	0.5
77.03902	0.5
79.05505	4.0
81.03400	1.7
81.06590	0.6
81.07054	6.7
83.04980	1.1
83.08611	2.2
85.02911	4.5
85.06536	1.0
86.09724	1.0
87.00815	1.1
89.03904	0.6
91.05482	4.3
93.07045	11.6
95.04965	2.3
95.08606	5.2
97.02895	2.5
97.06542	2.5
98.97576	0.9
99.04443	0.9
104.10744	2.7
105.01847	2.1
105.07032	6.7
105.11079	0.7
107.04935	0.9
107.08591	12.2
109.02846	1.3
109.06514	1.9
109.10140	4.1
111.04448	0.7
111.08070	1.2
113.02386	0.7
117.03394	1.3
117.06981	1.4
119.08589	8.7
121.06493	4.2
121.10143	14.2
123.04412	0.8
123.08051	2.0
123.11699	2.5
125.00009	0.6
125.09616	1.4
127.03913	2.1
129.06987	0.9
131.04846	0.6
131.08582	3.4
133.10127	6.4
135.04398	1.3
135.08061	4.1
135.11693	6.4
137.05959	0.7
137.09595	1.9
143.08565	1.3
145.02837	1.2
145.04929	1.3
145.10126	7.9
147.08080	0.8
147.11722	3.3
149.01123	0.5
149.09634	3.8
149.13251	1.5
151.03862	0.7
151.11192	1.4
155.08513	0.7
157.10152	1.9
159.11703	5.5
161.09618	1.6
161.13283	2.1
163.03911	8.0
163.11180	18.2
163.14644	0.5
165.05479	0.7
169.10120	0.7
171.11702	1.8
173.02376	0.6
173.13293	1.2
175.11308	0.5
175.14821	2.2
177.05434	0.9
177.12735	5.2
177.16364	3.0
183.11655	0.7
184.07309	1.9
185.07738	1.0
185.13214	0.6
187.11278	0.7
187.14726	0.9
187.76671	0.5
189.12869	0.6
191.07021	0.9
197.13301	0.5
199.14735	0.8
201.09125	0.7
201.16412	2.6
205.15791	0.6
211.14810	0.8
215.10730	0.6
216.10985	0.8
217.12354	0.9
219.17442	100.0
220.17816	1.4
231.05115	0.6
235.13228	0.6
237.18497	21.4
244.91269	0.5
259.09595	1.2
305.07214	0.6
323.26065	0.6
441.20993	0.9
449.30688	0.7
467.31516	1.5
485.12250	0.8
485.19547	4.7
485.26990	1.5
485.32706	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.2382
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.2
55.01863	1.2
55.05511	2.4
57.03411	0.9
57.07066	1.0
60.08155	0.5
60.93017	0.4
61.02912	0.7
65.03936	0.6
67.05502	6.5
69.03432	13.0
69.07070	5.6
71.04971	0.8
71.73051	0.4
73.02914	0.7
79.05498	3.5
79.05889	0.6
81.03416	3.1
81.07053	7.1
83.04966	1.9
83.08609	1.9
85.02435	0.6
85.02906	7.8
85.06548	3.1
87.00820	2.2
91.05478	3.4
93.07046	22.0
93.07642	1.1
95.04966	1.2
95.08611	7.4
97.02907	2.2
97.06534	2.2
97.10168	0.7
99.04425	1.2
104.10708	0.5
105.01866	5.6
105.07025	4.7
107.04953	1.1
107.08597	13.9
109.02890	2.6
109.06529	4.1
109.10155	24.1
111.08087	10.7
117.06988	1.4
119.08586	5.4
121.06509	4.2
121.10145	13.6
123.08070	5.6
123.11693	6.2
125.09627	1.0
127.03926	7.1
131.08588	2.3
133.10104	3.2
135.08064	11.9
135.11693	27.1
136.12003	0.5
137.09618	9.0
137.13211	0.5
139.03915	0.7
139.11160	0.8
145.04973	3.0
145.10132	4.5
147.04445	0.7
147.11649	1.8
149.09616	1.8
149.13254	3.7
151.11208	0.5
157.10147	0.9
159.02895	1.3
159.11667	5.4
161.09689	0.8
161.13251	5.0
163.03946	2.6
163.11172	11.2
173.13258	1.3
175.14865	2.2
176.11972	1.1
177.12802	1.0
177.16388	6.9
184.07333	1.4
189.03967	0.5
191.14307	0.5
191.17941	2.1
199.14726	0.6
201.16415	6.6
210.49178	0.4
213.03955	0.7
219.17442	100.0
220.17754	1.1
231.05014	3.1
237.14604	1.1
237.18506	1.5
249.06148	2.1
259.09637	0.9
305.69513	0.5
441.21252	0.6
443.10364	0.4
465.44830	0.5
485.19812	2.4
485.25281	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.2384
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02380	0.8
53.03946	1.4
55.01861	1.7
55.05500	2.1
56.96562	0.8
57.03430	2.0
57.07067	0.6
59.42049	0.6
65.03934	1.2
67.05519	3.4
69.03083	1.0
69.03429	14.7
69.07063	10.2
69.70454	3.5
70.06599	1.0
71.04969	1.7
79.05496	4.5
81.03410	4.6
81.07057	5.9
83.04984	4.2
83.08611	0.9
84.04504	0.9
84.08135	0.8
85.02903	10.2
85.06534	0.9
86.09677	1.6
87.04455	1.8
87.10048	0.9
90.41747	0.7
91.05470	6.9
93.07031	5.0
95.04967	3.2
95.08606	5.8
97.02889	10.8
97.06534	3.0
98.20858	1.3
98.97562	0.8
99.04430	1.3
105.07039	7.3
107.04943	5.0
107.08601	9.9
109.02871	2.1
109.06487	1.6
109.10156	1.5
111.04433	2.4
111.08083	5.4
115.03942	4.3
117.03358	1.6
117.07003	1.2
119.04942	3.8
119.08574	6.9
121.02852	1.2
121.06516	2.6
121.10146	5.6
123.04427	53.4
123.08042	4.3
123.11734	0.6
124.03944	1.3
124.99982	1.3
125.09635	0.8
127.03909	4.9
127.11178	1.2
129.06937	0.9
131.08572	8.8
133.04999	0.8
133.06480	1.0
133.10132	8.8
135.04381	3.8
135.07106	1.2
135.08057	12.6
135.11696	2.8
137.02353	6.8
137.05963	1.3
138.03090	2.5
139.03902	67.6
143.04935	1.7
143.08557	2.5
144.09445	0.7
145.02846	1.6
145.04973	1.4
145.06383	0.6
145.10141	4.3
147.04416	15.6
147.08037	0.8
147.11665	3.6
149.05977	0.7
149.09579	5.0
149.13237	2.0
151.03909	3.6
151.07516	1.1
153.05464	100.0
154.05804	1.2
157.10089	1.1
158.10892	3.4
159.11665	1.6
161.05954	6.2
161.09570	0.7
163.03899	14.0
163.11279	0.8
163.14835	1.3
165.01773	0.9
165.05481	11.8
165.06879	0.8
169.04977	1.5
171.11722	2.1
173.13261	20.3
175.03775	0.8
176.08290	3.5
177.05472	2.6
179.07059	2.4
181.04982	1.2
184.07286	3.5
185.07718	1.4
187.03995	1.2
187.14793	1.2
189.01859	1.5
189.05473	2.3
191.03384	13.0
191.14307	63.2
195.06529	34.5
203.03407	2.0
203.06902	0.7
203.14291	0.9
207.06535	4.9
207.10216	2.9
215.07069	1.1
228.97179	0.7
231.06570	0.9
235.05975	1.0
249.07524	0.7
259.05988	1.4
259.09705	2.3
271.06003	1.3
273.07666	3.2
287.16501	0.9
291.08624	30.1
301.07004	3.4
305.17419	7.0
313.07056	4.4
317.06366	0.8
333.09790	1.9
342.20416	1.2
343.08188	3.5
365.10297	0.9
411.10800	1.0
435.10782	1.9
453.12234	0.9
485.23718	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	485.1996
Annotation	CHEMBL252967
Peak:m/z	Relative Intensity
54.72059	0.3
55.34002	0.3
55.93730	0.3
65.46671	0.3
67.05499	0.9
68.36839	0.3
69.85606	0.3
79.05496	0.5
81.03451	0.3
81.07053	1.0
82.54111	0.3
83.05006	0.4
85.02866	0.3
91.05472	0.8
93.07032	0.5
95.05002	0.3
95.08647	0.6
97.02886	0.4
97.06512	0.3
98.20740	0.6
105.07025	0.8
107.08595	0.8
107.09357	0.3
109.10146	0.6
113.83353	0.3
119.08592	1.0
121.10178	0.4
133.10094	0.5
135.11748	0.3
143.08626	0.4
145.10051	0.7
147.04431	0.8
147.11694	0.5
159.08101	0.3
159.11729	0.5
163.03917	1.0
163.11243	0.4
164.11620	0.3
171.11696	0.5
173.13191	0.4
174.13638	0.3
184.07387	0.6
187.14876	0.4
189.09172	0.4
191.07169	0.3
195.07977	0.3
197.13274	0.3
201.16423	0.3
212.88733	0.3
230.14674	0.3
256.16333	0.6
259.07748	0.4
323.14676	8.0
335.70218	0.3
421.30414	0.4
430.86456	0.3
455.97287	0.3
457.20465	0.5
485.19955	100.0
486.20172	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.2385
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	1.4
55.01855	1.5
55.05505	2.4
56.96550	0.8
57.03449	3.4
57.88135	0.4
59.04974	0.8
61.02914	1.1
65.03932	0.6
67.05519	3.1
69.03435	21.2
69.07072	16.0
69.46938	0.5
69.56618	3.2
70.06576	0.8
71.04977	1.9
73.02895	0.6
79.05510	4.1
81.03404	3.7
81.07056	6.6
83.04988	4.5
83.08595	2.0
85.02907	15.0
85.06541	1.1
87.04468	3.6
87.05602	0.8
91.05473	5.3
93.07047	5.4
95.04956	1.4
95.08601	8.0
97.02892	19.2
97.06498	2.5
98.09675	0.8
98.20761	1.1
98.97576	1.3
99.04447	1.2
101.02367	0.6
105.07032	7.1
107.04965	1.0
107.08600	13.8
109.02886	3.0
109.06532	4.3
109.10156	1.3
111.04458	1.2
111.08086	7.3
115.03936	9.0
115.05305	0.6
117.07007	1.4
119.08579	6.9
121.06497	2.0
121.10146	9.8
123.04429	2.0
123.08067	5.7
125.09669	0.8
127.03912	5.5
128.06264	0.8
129.07039	0.8
131.08571	14.5
133.04967	2.1
133.06126	1.9
133.10141	11.4
135.04498	0.7
135.08064	19.6
135.11702	3.3
137.05997	0.7
137.09615	1.4
137.83803	0.6
139.03876	2.7
142.88872	0.6
143.08562	3.7
144.09373	1.2
145.02740	0.8
145.04907	2.5
145.10133	5.6
146.90874	0.5
147.04417	0.6
147.08032	0.8
147.10777	0.5
147.11711	4.4
149.09628	8.4
149.13303	2.6
150.10414	0.8
151.03896	0.6
157.10120	0.9
158.09723	0.6
158.10927	6.2
159.11697	0.8
161.09642	0.9
163.03914	1.8
163.11140	0.6
163.14806	2.9
171.11722	3.0
173.04581	1.1
173.13271	33.9
174.13689	0.5
175.14818	1.8
176.11986	0.9
177.05437	0.6
183.06583	0.6
184.07440	0.9
185.13271	1.0
187.14806	0.5
189.12766	2.0
191.14314	100.0
192.14717	0.6
209.15413	3.0
215.14389	0.9
257.15295	0.6
269.10703	1.0
269.15387	0.7
270.11047	0.5
287.05399	0.8
287.16455	1.0
293.10522	0.5
298.90839	0.6
305.17477	11.7
323.18655	1.4
363.13147	0.6
368.06265	0.7
485.16510	0.8
485.23868	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	484.3847
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	2.7
57.07076	52.7
59.05008	18.8
59.82975	1.6
69.07058	3.4
70.10397	6.6
71.08635	100.0
81.07074	2.0
83.08665	1.8
85.10184	52.4
87.04469	4.9
89.06036	73.2
90.70773	1.6
95.30447	1.6
103.07584	6.2
127.14835	8.5
131.06995	2.3
133.08615	48.7
177.11226	31.3
185.19044	9.4
200.20131	1.9
221.13838	4.1
222.36121	1.6
229.21620	4.0
239.14964	2.3
251.65672	1.8
265.16327	3.5
283.17523	27.8
323.20688	4.0
327.20172	4.9
341.21664	3.5
344.91049	1.7
361.58481	1.9
389.88327	1.8
467.35858	14.1
484.47128	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	485.1445
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	1.4
55.05507	0.7
57.03423	0.8
60.08152	1.5
67.05505	1.6
68.43468	0.6
68.99789	1.4
69.03432	3.5
69.07050	2.7
70.06591	0.9
71.01332	0.6
71.05007	0.7
71.07349	0.9
77.03912	0.8
79.05494	2.9
81.03410	1.3
81.07058	2.1
83.04959	1.4
85.02910	3.3
86.09711	5.9
87.10032	1.1
89.03917	0.8
91.05467	2.6
93.03448	0.9
93.07030	1.4
95.04974	2.3
95.08601	1.6
97.02887	3.3
97.06507	0.7
99.04443	0.7
104.10763	0.9
105.07037	3.0
107.04958	2.8
107.08595	2.5
109.02873	0.7
109.06545	0.9
109.10117	1.0
111.04490	1.0
111.08059	0.7
115.03929	0.9
115.05418	0.7
117.03320	0.9
119.04968	3.5
119.08564	1.4
120.08099	0.6
121.06505	0.7
121.10123	1.6
123.04435	46.9
123.08089	1.2
124.04021	0.7
125.00002	4.2
126.00342	0.7
127.03905	2.4
131.04921	0.6
131.08578	2.2
133.10135	2.5
135.04399	3.5
135.08081	3.0
135.11658	0.6
137.02324	5.9
137.06012	0.7
138.03143	3.0
139.03909	60.5
143.04942	1.4
145.02846	1.0
145.10153	0.7
147.03239	0.7
147.04416	14.1
147.11621	1.0
149.09633	1.3
149.13287	0.8
151.03906	2.0
153.05475	100.0
157.10114	0.8
158.10995	0.5
159.11697	0.7
161.06004	5.5
163.03906	11.9
165.01897	0.6
165.05508	11.0
169.04973	1.5
173.13286	4.6
175.03941	0.6
176.08324	1.6
177.05489	1.5
179.07057	1.7
181.04984	0.8
184.07347	19.2
184.09024	1.0
185.07709	5.5
187.03932	0.7
189.01811	0.7
189.05466	1.6
189.12715	0.6
191.03403	13.1
191.14313	11.1
195.06541	30.9
203.03401	2.0
207.02876	0.9
207.06525	5.4
207.10127	1.4
219.17586	0.5
241.05051	0.9
247.05981	0.8
249.07526	0.6
259.05951	0.9
271.06311	1.2
273.07547	3.9
291.08633	27.4
292.02451	0.5
301.07062	3.3
305.17548	1.6
313.07037	3.2
317.06622	1.8
321.73050	0.5
325.07281	0.6
333.09784	2.0
343.08212	3.1
381.46259	0.6
393.09906	0.7
411.10895	0.7
435.10852	1.2
453.11844	0.8
485.23337	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	483.3641
Annotation	Unknow
Peak:m/z	Relative Intensity
50.72654	1.5
55.05505	3.9
57.07077	100.0
58.04212	3.2
59.05006	33.9
60.62122	2.0
69.07090	3.8
71.08634	79.5
71.39162	3.0
72.05788	2.4
73.02900	2.9
75.32896	1.6
81.07077	1.8
83.08634	3.2
85.10184	63.7
87.04467	4.8
89.06030	12.0
90.01923	16.6
95.08626	2.5
97.10154	6.1
99.08051	2.2
99.11738	14.7
101.09672	2.2
103.07593	1.9
110.31715	1.7
113.13274	6.0
117.09148	14.1
121.10094	1.7
133.08601	4.4
134.08948	2.6
141.16353	2.4
152.15662	2.0
155.17953	9.6
158.11815	2.0
177.11172	1.8
201.86786	1.8
213.22191	15.8
246.08223	1.9
271.26456	8.7
283.17459	4.0
284.17941	3.0
387.28543	2.2
483.37369	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	483.272
Annotation	Unknow
Peak:m/z	Relative Intensity
54.46609	1.0
55.05514	19.5
57.03439	7.6
57.07080	9.2
59.04985	1.6
67.05500	4.2
69.07069	26.6
69.74671	1.1
71.08635	7.0
79.05493	1.9
81.07056	5.2
83.08147	1.5
83.08622	19.7
85.10168	2.0
91.05470	0.9
93.07033	3.8
95.08584	4.3
97.06518	2.1
97.10175	15.2
98.98473	8.2
107.08585	2.8
109.10134	1.4
111.11698	3.8
119.08616	1.2
121.10126	3.0
123.11598	0.9
135.11684	2.1
155.01074	5.0
163.03896	1.0
217.83095	0.8
229.07721	1.0
237.22151	1.6
266.64148	0.9
311.25809	100.0
312.25998	1.2
447.25024	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	483.3109
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	3.2
55.01863	2.6
55.05515	15.4
56.96567	2.8
57.05386	1.3
57.07072	3.2
59.33504	1.3
61.02921	1.9
65.03941	4.2
66.15029	1.4
67.05510	21.6
69.03444	3.3
69.07069	14.9
69.21829	4.1
69.22240	9.4
71.04992	2.3
79.05490	23.4
81.03442	2.1
81.06585	3.2
81.07056	50.8
83.04973	3.6
83.08616	8.1
85.06555	2.1
91.05482	33.7
91.06011	1.2
93.07046	42.4
95.04977	7.6
95.08607	57.6
97.02904	2.5
97.06528	26.5
97.10172	2.9
99.08103	5.7
103.05486	3.5
105.07030	61.5
107.04969	4.3
107.07868	3.5
107.08595	59.7
109.02911	1.7
109.06518	5.3
109.10156	18.8
111.04427	2.8
111.08081	2.2
113.05997	2.0
115.05469	3.4
117.07017	18.2
119.08579	100.0
121.06499	5.5
121.10145	33.0
123.04432	4.5
123.08086	5.4
123.11729	5.9
125.06021	2.1
125.09657	2.4
127.07526	1.8
128.06219	6.3
129.06999	11.3
130.07796	3.0
131.04950	2.6
131.08562	55.5
133.06493	3.0
133.10136	52.4
135.08052	6.7
135.11671	14.3
137.05989	4.0
137.09589	2.0
139.03909	45.9
139.07535	2.6
141.06985	4.2
142.07802	7.5
143.08548	30.6
144.09293	3.4
145.06514	2.5
145.10129	77.2
147.08049	6.2
147.11699	35.4
149.05986	6.7
149.09619	2.0
149.13251	9.6
151.07536	1.8
153.09119	4.3
155.08501	7.4
156.09352	8.8
157.06538	2.0
157.10136	35.5
158.10889	3.0
159.08061	6.3
159.11688	43.8
161.05966	2.6
161.09581	5.4
161.13258	23.2
163.03911	38.8
163.07585	8.1
163.11172	2.8
163.14857	11.6
165.09071	3.5
167.08549	2.6
168.09343	3.1
169.10110	10.8
170.10904	6.9
171.08069	4.3
171.11691	23.7
172.12437	3.0
173.09683	3.9
173.13258	49.1
173.14697	3.1
174.13675	1.5
175.07573	4.0
175.11140	4.5
175.14812	27.9
177.09117	4.0
177.12733	4.1
177.16383	6.0
179.10684	3.1
180.09348	1.9
181.08643	1.7
181.10127	5.6
182.10880	3.0
183.11685	15.2
185.09657	4.1
185.13258	49.6
187.11252	2.8
187.14827	66.0
189.09128	5.1
189.12701	4.1
189.16412	16.2
191.07013	3.5
191.10698	5.9
191.14317	6.7
193.04866	1.9
193.10164	1.8
193.15871	2.0
195.11696	4.6
197.13280	12.4
199.14812	48.6
199.16594	2.9
201.09116	3.9
201.12733	11.9
201.16374	56.8
203.10667	1.9
203.14348	13.4
203.18019	7.6
205.12259	4.8
205.15900	4.5
207.11960	2.5
207.13881	6.0
209.13249	6.6
211.14897	8.1
213.12793	5.9
213.16350	13.0
215.14398	7.7
215.17899	3.8
217.12318	3.6
217.15910	6.1
219.10294	1.9
219.13826	20.7
219.17458	5.1
221.13492	2.1
221.15422	5.2
223.14923	3.8
225.16393	9.4
227.14240	4.8
227.17967	8.2
229.12209	2.7
229.15863	5.7
229.19560	3.8
231.13791	7.8
231.17407	2.0
233.15337	12.5
235.09627	2.5
237.16408	5.1
239.17953	6.3
241.12366	2.5
241.19357	3.5
243.13777	3.1
245.15395	22.7
247.16989	12.6
249.14694	11.7
251.18011	3.1
253.19543	5.2
259.17059	4.5
261.14813	4.5
263.16302	3.5
265.19534	2.9
267.20898	1.9
273.18646	2.1
279.21033	5.7
281.22568	2.9
285.14825	2.7
289.14380	3.1
293.22714	2.2
303.15894	7.6
305.19058	1.7
305.22620	2.1
307.24026	2.2
310.22858	1.7
315.16077	2.6
325.21683	1.7
327.23407	1.7
349.21411	2.3
357.16846	7.0
373.29041	6.0
375.30603	1.7
376.48410	1.6
391.29904	11.6
401.28470	11.4
403.29654	1.9
407.29404	5.0
419.29449	60.4
421.31018	6.2
425.30231	2.0
437.30524	83.8
438.30756	2.0
439.32108	3.7
447.18359	2.3
447.29083	7.6
453.29950	2.5
455.31433	2.1
465.19183	3.2
465.29944	29.2
483.22092	12.7
483.30936	42.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.1866
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02381	1.2
53.03939	2.5
55.01875	3.5
55.05495	3.3
57.03421	5.0
66.27831	1.3
67.05499	5.1
69.03423	3.7
69.07066	16.4
69.76846	4.6
70.06584	3.0
71.04973	1.6
79.05499	20.2
81.03428	1.5
81.07063	6.3
83.04987	1.7
85.02899	2.2
89.03905	1.6
91.05482	3.2
93.07030	2.7
95.04956	3.1
95.08588	2.7
96.08105	1.4
97.02885	2.9
97.06532	50.6
98.21626	1.7
100.11217	1.6
105.07039	8.2
107.05016	3.1
107.08584	1.7
111.08056	5.6
112.08854	2.6
115.05492	1.1
117.03393	3.6
117.06990	2.6
119.04986	1.6
119.08588	4.7
121.06481	2.2
123.04409	2.6
129.06979	2.5
129.09140	3.6
131.08569	3.9
133.02856	5.0
133.10146	3.1
135.04433	6.0
139.03886	5.2
143.08542	2.4
145.02837	5.3
145.10138	7.9
145.37219	1.3
147.04395	3.8
147.08055	1.4
147.11710	1.6
151.03912	2.7
157.10196	2.5
159.04456	4.6
159.08005	1.5
159.11691	5.7
161.02309	10.3
161.06007	1.4
163.03911	39.9
167.08496	1.8
169.10112	1.6
171.08073	1.4
171.11653	1.6
173.02351	78.6
173.05960	2.8
173.09625	5.1
175.07515	1.4
177.05490	6.9
178.05795	1.4
185.05962	3.7
187.03912	4.3
187.07535	2.0
187.11148	5.8
191.03391	10.1
195.08076	2.6
197.05983	2.2
197.09642	2.1
199.03886	2.0
199.07556	1.9
199.14751	1.4
201.05542	1.6
203.06961	4.3
204.07358	2.2
213.09087	3.2
215.07039	76.2
215.10625	6.3
216.07303	1.7
217.15839	1.6
223.07639	1.4
233.07993	3.3
235.16859	1.8
241.08600	40.9
259.09674	74.2
260.10031	1.5
270.37637	1.6
273.11234	100.0
291.12186	6.3
307.15375	3.1
346.21249	1.5
452.17862	2.6
465.19931	3.1
465.28967	1.4
483.21365	5.3
483.30750	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.1864
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.6
55.01870	1.7
55.05501	1.8
56.91142	0.6
57.03434	3.6
61.02924	1.6
62.19808	0.5
67.05501	2.4
69.03432	1.4
69.07069	18.6
71.04998	0.6
73.94258	0.5
79.05495	10.1
80.68409	0.5
81.07048	1.5
82.68658	0.5
83.04994	1.3
85.02892	0.5
85.06538	1.3
87.08101	1.5
89.03474	0.4
89.03910	2.7
91.05484	1.0
93.07046	0.7
95.04980	1.1
97.06531	77.4
98.06788	0.5
98.21531	0.9
103.89307	0.5
105.07020	1.3
107.04948	1.4
107.37870	0.6
107.38632	0.6
109.02926	0.5
111.04431	0.6
111.08092	2.6
117.03378	3.7
119.08574	0.5
119.30109	0.5
121.06547	0.8
129.07027	0.6
129.09116	2.9
131.04921	0.9
133.02838	3.3
135.04408	4.9
137.08186	0.5
141.06937	0.6
145.02841	5.3
145.10135	0.6
146.03595	0.6
147.04431	1.1
157.06523	0.6
159.04408	9.0
159.08006	0.8
161.02344	23.6
161.05980	0.7
161.09619	0.6
163.03908	51.6
165.05553	0.5
169.06461	1.1
173.02344	50.9
175.11494	0.5
185.05966	3.9
186.03085	0.6
187.03914	1.2
187.07553	1.2
191.03394	7.8
195.08098	1.1
197.05899	0.9
199.03859	1.1
199.07631	0.6
213.09148	0.9
215.07031	81.1
223.07726	0.8
233.08107	3.4
241.08603	15.6
245.40082	0.6
259.09656	27.8
273.08267	0.6
273.11224	14.7
291.12274	100.0
292.12595	1.5
316.07507	0.6
421.53732	0.6
433.14899	0.7
465.17990	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.1866
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02385	1.5
53.03937	5.1
55.01876	7.5
55.05516	8.7
57.03447	9.2
65.03948	2.3
67.05507	11.6
69.03418	5.5
69.07068	5.1
70.06578	2.6
71.01347	5.3
71.04995	7.8
73.02915	5.5
77.03960	1.3
77.44241	1.6
79.05499	24.3
81.03414	5.1
81.07066	10.8
83.01348	2.1
83.04989	5.1
85.02913	15.5
90.18861	1.6
91.05493	24.7
93.07053	28.4
95.01314	7.1
95.04565	1.3
95.04974	14.6
95.08588	3.6
97.02893	10.5
97.06544	15.0
98.21522	3.2
99.00819	2.2
99.04449	4.7
101.02386	4.3
103.03938	3.5
103.05453	1.9
105.04556	2.3
105.07039	49.5
107.04970	9.7
107.08572	5.4
109.02883	2.0
109.06533	4.5
109.10149	3.0
111.08086	1.7
113.02366	6.5
113.06008	4.1
115.05424	4.4
117.07021	18.1
117.83587	1.4
119.04925	8.9
119.08599	12.3
120.05733	4.3
121.02841	1.6
121.06512	48.2
121.10152	2.3
123.04398	4.1
125.05984	3.0
126.69627	1.7
128.06218	7.5
129.05495	1.6
129.07008	13.4
130.07759	7.4
131.03394	1.6
131.04929	3.3
131.08582	26.2
133.02878	2.6
133.06488	5.6
133.10144	14.0
135.04468	7.5
135.08041	3.7
137.05978	4.1
139.03906	4.4
141.01817	13.7
141.06992	6.7
142.07764	5.9
143.08566	16.3
144.09337	12.3
145.05420	2.1
145.06499	24.8
145.10129	90.6
146.07176	1.7
147.04407	3.2
147.08028	3.4
147.11665	8.5
151.04022	1.8
153.07037	2.2
154.07744	5.7
155.08502	7.1
156.09306	1.6
157.06493	3.4
157.10149	15.4
158.07297	13.6
159.03026	1.6
159.08073	23.4
159.11703	63.3
161.02342	3.2
161.05920	2.2
161.09648	3.4
163.03928	15.5
165.05626	2.0
165.07004	2.9
167.08600	5.3
169.08740	3.1
169.10106	17.7
171.08070	5.2
171.11685	6.0
172.08818	10.3
173.02373	22.1
173.05923	2.7
173.09636	57.5
175.11168	3.9
177.05461	5.3
179.08578	5.2
181.06538	1.6
181.10104	2.4
182.07272	5.0
183.08049	1.9
183.11749	2.4
185.06017	2.0
185.09651	6.3
187.07602	4.0
187.11195	100.0
191.03392	3.3
191.10635	6.4
193.10161	3.1
195.08046	3.1
195.11642	1.6
197.08075	2.2
197.09653	18.5
199.07468	2.0
199.11209	4.0
200.11841	1.6
201.09132	2.6
203.07018	5.4
204.07399	3.8
205.12230	8.9
209.09549	1.9
211.11115	2.2
213.09116	6.3
215.07205	24.8
215.10674	88.3
217.01337	2.1
217.15852	4.0
221.09563	2.2
225.12875	1.6
227.10855	1.6
233.11722	10.9
235.02469	1.8
235.11392	2.1
235.17020	2.6
237.12556	1.8
239.10635	3.6
241.08632	6.5
241.12283	2.0
247.13365	1.9
253.12314	1.9
256.11020	2.6
259.09674	16.1
263.10678	2.8
265.11923	2.2
265.14386	5.2
267.10281	1.7
270.12564	8.0
273.11206	25.4
279.15872	6.2
281.11816	1.6
289.05243	5.7
289.14346	37.0
293.11655	2.8
299.12848	2.3
305.13763	1.8
307.15414	19.9
309.11176	2.4
319.09967	1.9
327.12280	6.1
331.11746	5.7
337.10651	2.8
345.13354	6.7
363.14407	4.0
373.12823	2.5
391.13794	2.5
419.16858	3.3
447.16425	2.7
448.53931	1.6
452.18018	2.0
465.18024	5.1
483.18283	39.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.186
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51887	1.4
51.46857	1.7
55.01866	3.3
55.05495	1.9
56.47570	1.8
57.03436	2.5
69.07045	4.7
69.35241	9.7
69.35652	4.2
70.06583	2.0
83.04964	2.3
85.06533	2.4
86.09675	2.1
91.05464	3.8
95.04957	3.3
96.61352	1.5
97.06524	5.9
111.04500	2.2
115.05431	4.4
117.06995	3.2
120.08112	1.8
123.04433	2.4
128.06264	3.5
129.06999	5.8
131.08540	3.0
133.06491	2.7
139.05350	2.0
141.06981	16.3
142.07703	1.9
143.04907	2.0
143.08543	5.1
145.06476	2.8
147.04372	6.4
149.05980	1.9
152.06151	4.0
157.06485	3.9
157.10106	4.7
160.05193	10.9
161.05975	29.7
163.03897	12.8
165.05569	2.0
167.08585	12.7
169.06503	14.6
170.07281	2.6
171.08078	5.1
173.05916	12.2
174.06750	4.8
175.03891	13.2
175.07552	6.3
176.04549	2.1
177.05423	2.7
181.06436	4.2
184.05182	4.8
184.07373	4.6
184.22169	1.8
185.06001	6.0
185.09531	9.0
187.07538	55.3
189.05533	9.3
189.09105	36.2
195.08055	21.5
197.05969	21.0
198.06757	4.5
199.07518	4.9
200.04669	4.0
201.05478	18.2
202.06177	2.3
203.07176	1.8
203.10664	3.2
205.04977	4.5
212.04842	2.2
213.05635	8.9
213.09114	27.7
215.07018	100.0
215.10466	4.0
217.04958	5.5
217.08577	7.2
223.07545	31.5
226.06325	3.5
231.10156	8.9
241.08589	65.5
243.10164	21.8
247.09662	28.3
259.09665	34.2
273.11230	5.9
291.12283	3.2
372.05685	2.0
483.22025	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	483.0001
Annotation	Unknow
Peak:m/z	Relative Intensity
54.21970	1.8
56.96579	2.6
71.51924	2.7
97.02887	5.0
98.97583	19.6
116.98631	9.0
119.01901	2.9
124.08426	1.9
134.99678	2.8
136.50580	2.2
159.17923	1.9
174.97629	3.1
177.00946	5.3
192.98650	3.3
212.61804	2.0
214.95604	5.7
216.98804	4.5
219.02022	6.0
223.61784	1.9
232.96751	15.1
234.99860	7.2
243.02022	2.8
250.97842	7.0
256.96747	29.8
258.99896	13.5
261.03067	13.5
262.03229	2.3
263.02969	3.9
274.97745	54.3
277.00888	8.4
277.97659	2.4
279.00906	2.9
279.47702	2.0
282.99979	16.5
284.99844	2.8
292.98984	2.9
298.97760	84.3
299.01215	4.0
299.97559	2.6
301.00964	13.4
303.01157	2.4
316.98813	100.0
317.98627	2.2
340.00607	3.1
354.93875	2.7
356.97147	2.2
358.99936	6.3
374.97800	3.4
380.96924	4.6
392.28796	2.1
398.97714	7.1
409.55676	2.7
416.98917	14.2
422.98047	6.4
440.98923	83.2
441.99225	5.3
443.02200	2.1
448.92395	3.0
458.99982	80.0
459.99728	4.1
461.92850	2.2
468.91989	2.8
482.01395	5.4
482.99927	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	482.3245
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	0.4
56.05030	1.1
57.03421	0.7
57.07082	3.3
58.06603	1.0
59.07375	0.3
59.27812	0.3
60.08166	18.6
62.23793	0.2
67.05500	0.7
69.07072	0.7
70.06598	0.3
71.07378	6.7
71.08626	2.3
71.22220	0.5
81.07052	1.0
83.08617	0.5
85.10181	1.3
86.09708	49.2
89.06047	0.3
95.08604	1.5
97.10155	0.3
98.98470	3.7
104.10746	100.0
109.10149	0.7
116.62022	0.2
125.00008	27.1
163.01544	0.9
184.07346	92.9
238.84454	0.3
258.11096	1.1
299.25830	2.7
401.62354	0.3
405.23837	0.6
441.83743	0.3
464.31381	8.9
482.32440	38.6
483.32892	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	482.3479
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03305	1.6
55.05513	11.2
57.03447	2.7
57.07071	6.5
61.93984	1.6
67.05511	28.9
69.03429	3.2
69.07071	30.9
71.04996	3.6
71.08634	4.5
78.58747	1.6
79.05500	29.7
81.03442	4.0
81.07053	29.7
83.04969	6.1
83.08636	9.4
85.10184	4.0
88.70671	1.5
89.06041	7.7
91.05482	23.8
93.07050	39.5
95.04980	14.9
95.08613	18.7
97.06549	4.7
97.10154	4.8
105.07031	22.8
107.04966	17.5
107.08616	16.4
109.06488	2.4
109.10166	8.7
111.08062	2.7
111.11754	2.1
117.05547	2.0
117.07024	8.1
119.08604	21.2
121.06484	3.6
121.10152	14.2
123.11668	2.4
125.09600	3.5
131.08551	12.1
133.08611	4.9
133.10123	15.9
133.17809	1.6
133.47011	1.6
135.08055	18.4
135.11748	3.4
137.09598	1.9
139.11200	6.3
145.10194	7.9
147.11668	6.3
149.09625	11.0
151.11240	2.4
157.10118	2.2
159.11691	7.2
163.11227	9.3
171.11699	1.7
173.11752	3.1
173.13251	3.3
177.11287	2.4
177.12706	2.6
187.11087	1.8
191.14310	2.6
197.13187	2.0
203.12804	9.4
205.12274	2.3
207.13838	2.5
223.13327	6.0
229.19507	2.0
237.14844	9.6
239.18002	3.5
247.20490	2.8
257.18893	8.0
275.20078	100.0
283.17426	5.2
293.21121	65.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	482.3243
Annotation	LPE(18:0/0:0)
Peak:m/z	Relative Intensity
55.05501	3.2
57.03443	4.3
57.07078	36.9
59.05008	1.1
62.06092	23.4
67.05511	4.8
69.07067	4.4
70.77187	1.7
71.08634	24.8
73.06571	0.8
81.07068	6.3
83.08611	2.8
85.10184	16.3
87.04440	0.5
89.05492	0.8
89.06036	16.3
95.08614	7.4
97.10169	3.4
98.98471	6.4
99.11720	1.7
103.03928	2.3
105.07009	0.6
107.08616	0.6
109.10178	4.2
111.11716	1.5
113.13261	1.0
117.09120	0.7
123.11703	1.9
124.01595	1.0
127.14830	1.0
127.53860	0.5
130.08670	0.7
133.08606	9.1
142.02635	1.1
155.01045	5.3
173.02090	0.7
177.11192	3.6
198.05269	1.9
216.06377	3.3
221.13782	0.7
235.11829	0.6
253.12848	1.0
267.26773	0.8
271.26422	0.9
283.17542	6.2
310.31058	13.8
315.29080	0.6
325.21848	0.7
341.30515	100.0
342.30981	1.1
415.78897	0.6
421.27081	6.7
464.31403	4.2
465.37933	6.8
474.19144	0.6
482.32327	2.0
482.39581	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	482.2601
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	0.6
55.01859	1.1
55.05507	1.7
57.03445	4.0
59.04993	0.9
61.02929	2.5
62.42950	0.5
62.43825	0.5
67.05497	2.0
69.03434	6.8
69.07052	2.2
69.84925	1.9
69.85329	0.9
70.06595	1.1
71.01340	0.8
71.04992	9.0
73.02921	3.9
73.06539	1.8
79.05500	4.0
81.02984	0.8
81.03425	9.4
81.03876	1.1
81.06594	0.7
81.07061	13.2
83.04987	0.7
83.08644	2.6
85.02910	15.4
85.86379	0.6
87.04470	1.0
91.05469	2.8
93.07040	8.5
95.04975	3.4
95.08600	1.8
96.08120	0.9
97.02903	9.4
97.06536	1.3
99.04462	0.8
105.07040	1.8
107.04963	1.3
107.07973	0.8
107.08610	7.9
109.02852	0.9
109.06525	0.5
109.10135	1.8
111.04468	0.7
111.08080	1.4
113.92793	0.5
115.03918	4.4
118.43127	0.5
119.08600	2.6
121.10173	1.0
123.04501	0.8
127.03908	4.8
129.06998	1.5
131.08580	1.9
133.04982	4.2
133.06453	0.6
133.10143	1.3
135.11699	14.3
137.36507	0.6
142.07837	0.6
145.04951	4.8
147.11693	2.0
149.09680	1.3
153.12752	100.0
154.13008	0.6
157.10141	2.0
163.06058	2.6
171.13817	2.1
175.07538	0.5
175.11200	2.3
193.12241	9.1
203.07062	4.4
211.13293	6.4
215.07121	1.1
216.20616	0.5
223.06100	0.8
234.11229	2.0
241.06976	0.9
259.08179	2.1
267.15976	3.1
280.32617	0.5
285.16971	32.3
295.10358	1.2
320.00217	0.6
360.41238	0.5
429.21619	0.9
451.17575	1.0
482.21149	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	482.166
Annotation	Unknow
Peak:m/z	Relative Intensity
52.88420	0.9
53.03954	1.6
57.03447	1.0
59.09864	0.7
61.02911	0.8
67.89052	0.9
69.03429	4.6
69.36082	4.6
69.36586	2.3
69.36981	0.9
70.06593	1.0
73.02912	1.5
78.03459	8.0
79.05502	2.6
80.05016	1.3
81.03423	10.9
81.07079	1.1
85.02905	5.5
91.05490	13.9
94.04195	2.3
95.04955	1.5
96.04509	1.3
96.20341	0.9
97.02905	3.3
98.20818	1.6
105.03429	0.8
105.06998	1.0
106.02924	34.1
107.04942	4.4
109.02887	5.5
109.06528	3.9
119.04946	30.2
120.08091	2.0
121.06538	1.7
122.03669	3.6
124.03957	69.4
127.03912	5.0
133.02838	1.1
135.04431	2.5
137.05983	100.0
138.44498	0.9
147.04414	64.0
149.05963	2.2
150.20718	0.9
151.07553	2.6
154.04997	1.6
165.05481	3.8
166.04996	1.1
167.07140	4.2
172.18996	0.9
177.05470	1.3
179.07043	40.1
181.04955	3.9
184.07393	0.8
193.12309	2.5
195.08257	0.8
197.08098	14.8
197.09755	1.3
200.96454	0.8
215.10661	2.2
222.56538	0.9
232.06160	1.4
241.08574	2.7
243.10228	3.6
250.07132	19.8
267.15952	1.6
268.08173	37.7
285.16977	3.1
302.19708	2.2
352.30499	0.9
434.14481	47.7
435.14850	1.2
464.15497	10.5
464.25006	2.3
482.17456	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	482.0311
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69359	1.1
66.08042	0.9
69.02654	0.9
70.35664	2.9
90.99606	0.9
107.30465	1.1
107.33772	1.0
107.39355	0.9
112.92256	1.1
128.76358	1.2
138.41719	1.0
139.91475	100.0
147.59270	1.0
171.79860	1.4
215.91162	1.0
247.05022	1.1
248.39735	1.0
377.98236	1.0
381.07974	39.8
426.03598	1.1
453.98196	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	482.1659
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02372	1.2
53.03929	1.9
59.25413	0.7
60.83418	0.8
61.02927	0.9
61.34951	0.8
64.72281	0.8
65.03941	1.4
69.03432	4.5
70.06573	1.6
71.22642	1.0
71.22977	1.7
78.03458	7.8
79.05480	2.4
80.05001	2.3
81.03418	12.6
81.07046	1.1
82.82240	0.9
83.08608	0.9
85.02911	3.9
87.41924	0.8
91.04974	1.3
91.05483	13.2
94.04175	1.1
95.04947	1.5
96.04498	1.4
97.02887	3.1
98.09648	0.8
99.04471	1.4
105.06969	1.0
106.02915	39.1
107.04945	2.1
109.02903	5.9
109.06516	0.8
119.04945	36.3
121.06561	0.9
122.03637	2.0
124.03957	69.9
127.03920	4.3
128.54742	0.8
132.99892	0.8
135.04401	2.1
137.05981	100.0
137.20557	0.9
138.06351	1.1
145.04936	1.1
147.04411	76.6
149.05989	1.1
151.07497	2.5
165.05505	1.0
167.07022	3.7
179.07028	40.7
179.69362	0.9
181.04967	1.3
182.15361	1.2
193.12236	2.7
197.08081	9.4
210.14816	1.1
226.07176	0.9
232.05920	2.0
237.70769	0.8
241.08441	1.2
250.07100	18.9
267.15866	0.9
268.08173	34.0
285.16953	2.7
302.19534	2.0
317.33340	0.9
396.83856	0.9
434.14459	43.6
464.15469	13.9
464.21793	1.2
464.25052	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.4259
Annotation	Unknow
Peak:m/z	Relative Intensity
53.86215	2.4
55.05493	2.6
56.05972	2.4
56.26521	2.8
57.03420	4.4
57.06798	4.9
57.07076	100.0
57.49821	2.3
59.04714	4.6
59.04999	71.9
64.31818	2.6
66.13052	2.4
67.49121	2.5
69.07048	4.3
71.08633	70.3
72.08131	4.9
83.08598	2.9
84.05952	2.6
85.10183	60.3
89.06001	4.4
98.68047	2.3
99.11719	10.7
113.13287	5.8
117.09138	32.4
155.17940	10.7
161.58653	2.6
175.13304	8.1
213.22180	16.8
240.10559	2.8
251.18634	2.8
271.26236	20.8
421.36758	5.4
439.37863	2.8
463.39682	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	480.3088
Annotation	Unknow
Peak:m/z	Relative Intensity
54.27539	0.4
55.01866	0.6
55.05510	1.5
56.05039	1.3
57.03439	0.8
57.07069	0.7
57.35884	0.5
58.06594	1.6
60.08170	16.1
64.39825	0.5
67.05500	2.3
69.07074	1.2
70.06596	0.6
71.07379	5.9
79.05479	1.7
79.20829	0.6
81.02991	0.5
81.07047	2.3
83.08627	1.2
86.09713	51.0
91.05485	0.9
93.07034	1.2
95.08614	1.5
97.06518	1.2
98.21542	1.2
98.98471	3.8
104.10752	100.0
107.08631	0.7
109.10173	0.8
121.10149	1.1
125.00014	25.9
129.05542	0.9
135.11682	0.8
151.51546	0.5
160.90479	0.5
163.03860	0.5
181.02625	0.6
184.07353	95.2
206.84158	0.5
207.06526	0.6
297.24179	0.5
409.63272	0.6
462.29800	9.6
480.30869	38.6
481.31876	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.3086
Annotation	Unknow
Peak:m/z	Relative Intensity
50.24256	0.5
55.01858	0.6
55.05500	1.7
56.05031	0.9
56.96556	0.6
57.03429	1.1
57.07075	0.7
58.06599	1.2
60.08165	16.1
61.02925	0.7
67.05508	2.8
69.07066	1.6
69.34116	1.7
69.34541	2.0
70.06596	0.5
70.77013	0.4
71.07369	5.8
71.44147	0.5
79.05495	2.6
81.03422	0.8
81.07047	3.1
83.08611	1.2
85.02905	0.7
85.10142	0.6
86.09706	46.9
87.05582	0.6
91.05479	1.2
93.07043	1.9
95.08601	1.5
97.02906	1.1
97.06528	1.1
97.10155	0.6
98.98451	2.7
104.10743	100.0
107.08622	0.7
109.10165	1.1
121.10130	1.6
125.00005	26.8
129.05481	0.9
133.06062	2.6
133.10115	0.6
135.11638	0.7
139.03885	2.8
149.13182	0.6
163.03917	1.5
166.02679	0.6
178.07875	0.5
181.02592	0.8
184.07341	92.4
207.06508	0.8
229.07477	0.6
243.09268	0.8
257.06885	0.6
258.11075	0.7
268.19934	0.5
285.09787	0.4
297.24127	0.7
303.11017	0.5
311.11020	0.4
316.28238	0.5
362.30078	0.5
462.29779	9.3
480.30841	39.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.3088
Annotation	1-18:1-lysoPE
Peak:m/z	Relative Intensity
53.14154	1.0
54.07607	1.1
55.05517	12.8
57.03438	2.5
57.07066	5.5
62.05791	1.9
62.06094	25.9
67.05510	7.8
69.07078	15.2
69.33467	9.7
71.08601	2.8
79.05473	4.3
81.07072	10.7
83.08626	10.2
85.10178	2.7
89.06065	1.4
93.07045	6.7
95.08614	10.0
97.06554	1.4
97.10163	5.8
98.06057	3.8
98.98477	6.5
105.07037	1.5
107.08606	2.0
109.10149	5.2
111.08047	1.3
111.11684	1.6
121.10130	5.2
135.11674	2.8
151.27203	1.2
155.01042	8.9
163.56731	1.3
198.05299	1.8
216.06317	3.4
244.75542	1.2
265.25391	5.8
280.39581	1.3
298.70450	1.2
308.29471	50.2
339.28955	100.0
419.25513	4.3
434.92117	1.3
462.29666	5.7
480.30563	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	480.2443
Annotation	Unknow
Peak:m/z	Relative Intensity
52.17889	0.4
53.03936	0.5
55.01848	1.5
55.05511	2.8
57.03413	1.7
57.74416	0.4
61.02890	1.8
67.05508	4.1
69.03416	0.9
69.07039	1.9
70.08277	1.5
71.04932	1.2
73.02901	0.8
74.15945	0.4
78.96126	0.4
79.05489	6.6
81.03398	1.0
81.07058	5.1
83.04948	1.1
83.08621	3.1
85.02873	1.6
90.60804	0.4
91.03914	1.4
91.05457	2.0
93.07048	10.6
95.04984	2.2
95.08608	14.4
97.02892	3.5
97.06488	1.1
98.21464	0.5
99.04429	1.9
104.65258	0.4
105.06988	1.9
107.04971	3.3
107.08588	9.4
109.06466	0.7
109.10112	1.0
111.04494	0.7
111.08023	0.4
115.34097	0.4
116.06805	0.4
116.54113	0.4
117.07010	3.2
119.08575	4.7
121.06468	1.8
121.10144	5.3
123.04409	0.5
124.03012	0.4
125.05946	1.2
131.08463	0.4
133.10091	1.2
135.08076	0.8
135.11693	22.8
138.05437	0.6
139.07524	0.6
145.10126	11.5
163.03847	1.6
163.11174	31.3
181.12245	6.8
184.07451	0.5
201.22331	0.4
209.11685	1.5
210.51302	0.4
227.12781	49.2
228.13347	0.6
283.15393	100.0
284.15707	0.9
301.16467	4.1
318.13162	1.1
335.00995	0.4
343.91638	0.4
348.10349	0.5
456.46115	0.6
480.18430	35.1
481.18353	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.2442
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	0.9
55.01868	1.5
55.05309	0.3
55.05518	3.6
57.03444	2.8
61.02938	1.9
67.05510	5.2
69.03414	0.9
69.07063	1.8
69.86133	0.7
69.86546	1.5
70.06589	0.5
71.04996	0.9
72.08171	0.5
73.02915	1.3
74.36345	0.4
79.05499	6.9
81.03423	2.8
81.07067	6.3
82.03777	0.8
82.82647	0.4
83.04987	1.3
83.08611	3.5
84.04523	0.4
84.41630	0.4
85.02901	2.7
91.03922	0.7
91.05486	2.6
93.07047	10.8
95.04971	3.3
95.08613	15.8
96.04508	0.4
97.02899	3.0
97.06525	1.4
99.04472	2.0
105.07037	2.7
107.04962	4.2
107.08603	10.7
109.02882	0.5
109.06526	0.7
109.10162	1.4
111.04440	1.0
111.08079	0.8
113.66570	0.4
117.07034	2.4
119.08588	3.7
121.02895	1.0
121.06513	2.7
121.10155	5.0
122.06029	0.9
125.05976	1.2
127.03931	0.8
133.10132	1.3
135.04453	0.6
135.08061	0.9
135.11702	21.6
138.05518	0.5
139.03928	0.6
139.07545	1.3
143.08537	0.7
145.02919	0.5
145.04945	0.5
145.10127	11.7
150.05466	0.4
151.85129	0.5
153.12730	0.7
155.06891	0.4
155.08446	0.5
163.03912	1.1
163.11189	33.3
173.09612	0.9
177.05571	0.6
181.12231	6.8
193.12216	0.9
194.12564	1.1
195.10161	1.1
209.11681	1.0
227.12793	43.6
243.37788	0.4
255.01271	0.4
256.85739	0.4
268.16122	0.9
283.15411	100.0
284.15787	1.1
286.17340	1.3
297.04007	1.0
301.16452	0.8
303.04535	0.4
317.06625	0.5
318.06912	0.9
373.11020	0.4
413.56204	0.4
445.20590	1.3
480.26157	0.4
500.26605	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.2445
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49945	1.4
55.01859	2.4
55.05517	2.8
56.96572	1.4
57.03160	1.4
57.03435	23.6
57.07058	2.2
58.93019	1.4
59.04992	5.7
59.92236	1.7
60.04508	1.7
61.02921	4.1
67.05508	8.1
69.03429	86.4
69.07070	47.6
69.85364	5.0
70.06572	1.5
71.01350	1.6
71.04981	1.6
71.05914	1.6
73.02919	3.4
73.25562	1.4
75.04471	2.5
79.05477	3.0
81.03399	5.3
81.07053	14.9
81.54276	1.3
83.04977	3.9
84.04064	1.3
85.02905	61.2
87.04472	57.0
91.05468	4.9
93.07024	5.1
95.04955	3.5
95.08601	8.0
97.02892	86.3
97.06522	2.0
98.97566	1.7
99.04453	2.9
105.06995	3.8
107.04996	1.6
107.08589	4.1
109.02872	2.3
109.06494	2.5
109.10176	10.9
110.07118	1.5
110.97469	1.4
111.04429	2.4
114.40397	1.5
115.03928	94.9
116.98578	1.5
119.08590	2.7
121.06461	3.0
121.10115	3.9
123.04417	3.9
123.08080	1.6
123.11707	51.6
127.03909	8.7
131.08553	3.0
133.04967	100.0
133.10120	2.2
135.04417	2.0
135.08037	1.5
137.02318	3.5
137.05894	1.5
139.03899	2.5
143.08585	1.9
145.04959	9.6
147.08131	1.5
149.06013	2.3
150.07613	2.7
151.11182	45.9
152.05673	3.7
159.11652	2.5
161.09631	1.5
163.03935	3.7
163.06036	1.8
165.09105	2.5
169.04897	3.5
169.12244	5.2
173.13303	1.7
187.06018	1.6
189.12813	2.2
201.12793	2.5
217.07164	1.6
219.13863	8.5
223.06023	1.8
229.07317	2.9
229.14294	2.0
234.12288	1.9
247.13396	7.2
259.08151	5.2
265.14297	3.6
270.04623	2.1
277.09207	3.9
278.80212	1.5
283.15460	9.1
286.03998	1.5
292.67914	1.7
295.10126	1.9
296.60321	3.1
297.03839	5.4
298.04233	9.4
301.63074	1.6
312.05615	2.0
313.16278	3.3
364.73810	1.6
368.95926	1.7
382.65518	1.5
385.84216	1.6
420.07895	2.2
448.07391	2.4
480.10104	3.9
480.28247	2.1
481.20386	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	480.2077
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	0.6
55.01866	0.3
56.05031	0.3
56.64294	0.2
56.96570	0.6
63.80586	0.2
69.03410	0.3
69.34222	0.2
69.95361	1.0
70.06594	0.4
73.02894	0.3
77.03919	0.3
79.05470	0.3
81.32455	0.3
85.02901	0.8
86.09717	0.3
89.03916	1.2
91.05489	2.4
91.52288	0.2
93.07045	4.4
95.04961	0.9
98.41042	0.3
98.97576	0.5
103.05483	3.3
107.04943	0.4
115.03989	0.3
117.03404	1.8
121.06511	100.0
122.06839	0.6
127.03961	0.3
128.44356	0.2
133.45003	0.2
135.04440	2.6
136.04796	0.5
136.06226	0.9
138.05511	0.5
138.09148	33.9
143.00140	0.3
143.01993	0.3
143.99648	0.3
145.02802	1.9
152.05687	0.4
161.02988	0.4
163.03918	15.5
164.04274	2.1
173.02934	0.4
175.11874	0.4
189.00882	0.3
221.02873	0.4
245.05083	0.6
255.01787	0.3
259.95651	0.3
287.72235	0.3
291.03732	0.3
321.04443	0.4
335.57288	0.3
378.07443	0.3
393.12323	0.4
397.08163	0.3
480.07819	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.1687
Annotation	Unknow
Peak:m/z	Relative Intensity
54.53690	0.8
55.01865	2.5
55.05516	1.9
58.08981	0.8
65.03933	2.2
67.05498	2.2
69.03421	3.9
69.61387	3.0
69.61791	2.1
70.06597	2.1
72.08144	1.4
79.05470	2.9
81.03412	2.5
81.07055	3.7
81.29202	0.9
83.04987	4.3
85.02898	4.7
87.04448	2.5
89.03922	3.3
91.05480	26.0
93.03402	2.9
93.07057	1.7
94.04144	1.1
95.04977	3.0
97.02888	2.9
103.05450	3.0
105.03404	4.8
105.07022	4.5
106.02901	1.0
107.04940	2.9
107.08658	1.0
108.08134	1.2
109.06524	8.7
111.04458	5.6
115.03963	2.2
115.05443	1.5
117.03374	5.0
118.04183	1.4
119.04942	31.9
121.02857	1.4
121.06520	3.1
122.02417	6.1
122.03451	0.9
123.04449	2.6
123.08102	2.1
123.11716	1.2
124.03937	1.5
126.09156	47.5
127.03974	1.2
131.04912	3.0
133.04968	2.1
133.06493	4.3
135.04427	12.9
137.05977	42.8
138.05481	1.8
139.03902	15.3
140.03433	2.7
145.02837	12.7
147.04414	12.7
147.08025	1.5
147.85570	0.9
149.05984	4.1
150.06836	1.0
151.07541	17.2
151.11215	0.9
159.08084	1.1
161.05972	15.8
162.06732	4.4
163.03905	100.0
165.05487	3.5
175.07545	8.4
177.05437	1.5
177.09143	1.1
179.07036	17.7
179.08546	1.7
180.49550	1.0
181.04932	4.3
184.07451	0.9
187.07593	5.8
191.08604	2.8
193.03239	3.6
193.08640	2.5
205.08621	9.9
208.81082	0.9
217.08517	1.5
219.08031	2.2
223.14172	0.9
235.09691	2.3
236.08493	1.2
246.11256	1.6
247.07527	1.8
251.10696	1.7
259.07330	1.0
260.12769	9.8
265.08502	1.6
279.10153	4.6
288.12302	42.5
291.10306	1.5
296.10617	1.2
297.11273	2.9
306.13199	6.1
309.11148	7.2
311.12885	5.7
323.12848	1.1
329.14023	3.0
341.13843	9.4
359.14990	4.0
445.51831	1.0
462.17749	1.7
469.44037	1.0
480.18668	40.9
480.32541	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	480.169
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	1.9
55.01873	2.9
55.05507	2.1
57.03431	1.6
58.85387	0.8
65.03937	3.1
67.05519	2.1
69.03429	5.8
70.06591	2.5
71.04993	1.4
71.52102	1.2
79.05498	5.2
81.03425	1.6
81.07042	3.6
83.04968	4.3
83.19707	0.9
84.08121	1.0
85.02911	5.2
87.03989	1.0
87.04464	3.6
89.03923	3.7
91.05486	35.4
93.03406	3.6
93.07043	3.3
95.04981	5.0
97.02898	4.1
98.06052	1.2
98.97594	1.9
103.05463	5.1
105.02827	1.0
105.03409	8.5
105.07021	8.1
107.04974	6.3
108.08186	1.4
109.02867	1.1
109.06517	11.2
111.04437	6.6
113.42368	0.8
115.03941	3.4
115.05426	1.4
116.98643	0.8
117.02672	1.1
117.03373	6.1
117.07063	1.1
118.04145	1.2
119.04950	50.8
119.08617	1.3
121.02847	0.9
121.06520	5.4
122.02396	1.8
122.03626	2.6
123.04442	3.3
123.08074	4.1
124.03957	1.3
124.07590	1.6
126.09162	50.0
127.09499	1.0
129.07031	1.6
130.04106	1.5
131.04933	2.4
133.04968	2.9
133.06512	6.7
135.04430	13.9
135.08073	2.5
136.05130	0.9
137.05988	67.5
139.03911	15.1
145.02856	10.4
145.06538	1.1
147.04420	19.9
147.08051	1.8
149.05995	5.4
150.06783	1.2
151.06302	1.2
151.07545	25.2
153.05446	1.5
159.08051	2.1
160.05170	1.2
161.05980	21.5
161.09538	1.2
162.06776	7.7
163.03915	100.0
163.07539	2.5
165.05515	3.5
169.12218	2.0
173.01205	1.2
175.07555	17.8
177.05499	1.8
177.09064	1.3
179.05482	1.3
179.07051	26.1
179.10661	0.9
181.04982	4.6
187.07533	7.6
191.08591	1.1
193.03223	6.1
193.08624	5.6
195.06735	1.0
195.10219	1.7
196.10564	1.3
205.08607	12.2
216.41319	1.0
217.08546	1.3
219.08109	3.5
231.08058	1.0
235.09636	3.0
246.11386	1.5
247.07596	2.0
251.10710	2.8
256.07053	1.3
257.06845	1.0
260.12860	12.1
265.08566	1.7
279.10101	5.8
283.04926	1.4
288.12320	48.0
291.10138	3.1
296.10574	1.6
306.13364	8.1
309.11276	11.5
311.12738	9.1
318.06854	1.3
323.12878	1.9
329.13928	3.4
341.13809	9.0
348.21600	1.1
359.14865	2.7
434.17987	1.1
462.17386	1.5
479.31567	1.2
480.18634	40.9
480.32465	2.5
496.99362	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.2929
Annotation	LysoPE(18:2w6/0:0)
Peak:m/z	Relative Intensity
53.03933	0.9
55.05511	10.0
57.03441	6.0
57.07062	1.1
62.06083	0.5
65.03931	0.9
67.05505	20.9
69.07069	13.8
70.69967	0.7
71.04971	0.4
71.08613	0.7
71.97250	0.3
75.90261	0.3
79.05075	0.4
79.05499	6.2
81.07057	20.8
83.04953	0.6
83.08157	0.4
83.08621	5.7
85.06525	0.6
91.05482	4.0
93.07040	6.3
95.08607	15.5
96.04449	0.3
97.06513	1.5
97.10162	2.9
99.08095	0.4
102.62151	0.4
105.07022	2.8
107.08574	3.2
109.06509	0.4
109.10153	5.8
111.08062	0.6
111.11777	0.4
113.85116	0.3
119.08595	2.0
121.10155	2.1
123.08127	0.4
123.11705	2.5
124.01665	0.5
125.09602	0.5
133.10132	1.8
135.11694	1.2
137.13249	0.8
145.89040	0.3
147.11687	1.3
149.13290	0.6
151.11182	0.3
151.14754	0.3
161.13257	1.2
175.14847	0.7
189.16536	0.3
216.06345	0.8
245.22725	0.4
263.23743	0.5
300.70117	0.3
306.27917	2.2
315.51822	0.3
337.27365	100.0
338.27728	1.2
478.28616	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.0566
Annotation	Unknow
Peak:m/z	Relative Intensity
71.52171	4.5
94.93024	6.6
99.06348	2.9
101.37443	2.9
113.63556	3.3
136.94032	66.6
148.94031	17.6
166.95088	30.0
176.01082	4.1
178.25314	3.5
178.95058	3.9
196.96158	9.6
214.99860	4.6
224.95622	5.6
248.89714	3.4
256.98181	15.8
257.00565	3.4
316.99686	4.8
355.48727	3.5
381.07959	100.0
399.16501	4.1
419.03555	77.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.293
Annotation	LysoPE(0:0/18:2(9Z,12Z))
Peak:m/z	Relative Intensity
55.01866	0.4
55.05279	0.3
55.05519	3.8
57.07063	0.7
57.37397	0.2
62.06094	1.2
65.03965	0.3
66.84400	0.2
67.05509	5.1
69.06730	0.4
69.07076	5.1
70.95914	0.5
77.49324	0.2
77.88863	0.2
79.05499	1.2
81.07057	4.2
83.08637	1.6
85.05310	1.3
86.06068	0.4
91.05448	0.5
93.07045	1.3
95.08614	3.1
97.10148	0.6
98.06061	8.5
98.98506	0.6
107.08554	0.4
109.10172	1.3
112.07619	1.0
119.08542	0.3
121.10104	0.3
122.22579	0.2
123.11713	0.3
126.09193	0.4
127.82486	0.2
133.10164	0.4
135.11673	0.3
138.09120	0.4
140.10680	0.4
154.12277	0.6
168.13824	0.4
182.15401	0.4
194.15446	0.3
196.17038	0.4
208.16989	0.7
222.18652	0.5
236.19994	0.3
306.27917	100.0
307.28375	1.4
324.28989	0.6
337.27600	0.3
367.27545	0.3
368.90369	0.3
478.29004	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.2932
Annotation	LysoPE(18:2w6/0:0)
Peak:m/z	Relative Intensity
52.36694	0.7
53.03928	0.9
55.05279	0.9
55.05517	11.9
55.81402	0.9
57.03429	3.8
57.07073	1.6
57.54005	0.7
62.06093	33.4
65.03941	1.0
67.05507	27.2
68.83008	0.9
69.07071	15.7
69.90670	1.9
69.91074	2.3
71.08651	1.1
79.05495	7.6
81.07059	27.2
83.04990	0.8
83.08626	7.0
89.02032	0.8
89.94099	0.8
91.05486	4.8
93.07049	8.6
93.85699	0.9
95.08614	21.8
97.10159	3.1
98.06075	5.8
98.98478	7.7
105.07024	3.4
107.08624	5.0
109.10194	7.0
111.08063	0.9
111.11668	1.4
112.89410	0.9
119.08562	2.6
121.10143	4.1
123.11697	2.8
124.01618	1.7
133.10107	3.0
135.11726	2.1
137.13263	1.5
142.02625	1.0
147.11723	2.3
149.13318	1.3
155.01051	4.7
161.13278	1.5
163.14789	2.0
173.02045	1.6
192.14049	0.8
198.05278	1.4
216.06345	3.6
245.22552	1.9
263.23660	6.8
306.27917	61.7
337.27390	100.0
338.27658	1.5
417.24173	1.2
456.20471	1.1
460.28262	7.8
478.29422	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.2961
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14363	0.3
55.05505	0.6
56.05037	4.3
56.96565	0.3
57.03439	0.2
65.03914	0.3
66.91124	0.3
67.04264	0.3
67.05505	0.3
68.69266	0.2
69.03407	0.2
69.72462	0.2
69.90798	0.5
69.91199	0.6
70.06580	0.6
74.03711	0.2
81.03410	0.3
81.07037	0.3
81.39906	0.2
82.06583	3.3
83.25345	0.3
84.04504	0.3
84.08146	100.0
85.02909	0.9
85.07856	0.2
85.08459	0.4
86.09684	0.3
91.05489	0.5
93.07095	0.3
95.08595	0.3
96.04495	3.5
97.02890	0.4
98.97630	0.4
105.07044	0.6
107.04926	0.3
110.06017	0.4
119.08613	0.5
120.08085	0.3
121.02878	0.8
123.04457	0.3
127.03901	0.4
130.08662	1.0
131.08492	0.4
134.09662	0.2
136.07576	0.3
139.03932	0.5
145.04951	0.4
145.10114	0.3
153.05527	0.3
157.10098	0.4
161.06049	0.5
163.03912	0.5
167.07111	0.3
173.13354	0.3
193.08601	0.3
312.19745	0.3
335.24374	0.3
348.21710	9.3
358.20120	0.3
360.22018	0.8
362.23102	1.2
378.24429	0.4
386.27164	0.3
396.25327	2.0
413.27924	4.6
414.26514	0.5
431.29120	8.8
441.27765	0.5
459.28891	1.4
460.15729	0.3
477.29639	70.0
478.30206	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.2965
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	0.6
56.05039	4.5
56.96552	0.2
65.76186	0.2
67.05512	0.9
67.15342	0.2
69.03440	0.2
69.07095	0.2
69.65347	1.2
70.06609	0.4
72.08142	0.3
79.05509	0.2
80.05011	0.2
81.07065	0.2
82.06583	4.5
84.08147	100.0
85.01442	0.2
85.02911	0.4
85.06583	0.3
85.08486	0.5
86.09721	0.3
89.06040	0.7
91.05461	0.5
93.07069	0.4
95.08640	0.4
96.04497	3.0
97.02937	0.3
98.97606	0.3
105.07030	0.7
107.04913	0.3
107.08607	0.4
110.06050	0.5
110.07152	0.2
117.03423	0.3
117.06995	0.4
119.08580	0.4
121.06502	0.5
130.08652	2.4
131.08606	0.3
133.08595	0.5
133.10161	0.4
134.09689	0.2
138.09105	0.3
143.08578	0.3
145.02892	0.6
145.10139	0.5
146.09680	0.3
147.04436	0.2
155.08578	0.3
163.03896	0.5
173.13350	0.3
177.05513	1.0
178.05838	0.6
187.14783	0.2
187.28185	0.2
197.13213	0.3
207.06613	0.3
215.06908	0.2
219.58363	0.2
296.20309	0.2
312.19577	0.2
344.22229	0.3
348.17441	0.5
348.21683	8.4
360.21677	0.6
362.23227	1.5
377.25867	0.3
378.24304	0.4
385.21976	0.6
386.26993	0.7
396.25424	1.6
413.27948	5.4
414.26645	0.5
431.29102	8.2
432.28049	0.5
441.27463	0.4
459.22940	0.3
459.28406	1.1
477.29633	69.1
478.29956	1.1
491.42099	0.3
501.89621	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.2068
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	3.0
55.01870	4.4
55.05511	13.4
56.96565	12.9
57.03446	7.9
59.05005	4.2
59.20386	1.6
61.02929	15.1
67.05511	28.4
68.05850	3.8
69.03432	10.5
69.07059	4.6
70.07401	1.7
70.10452	3.7
70.10842	5.5
71.04988	5.4
73.02908	7.3
77.61246	1.6
79.05490	14.5
80.05813	5.0
81.03422	16.8
81.07054	16.4
82.07388	2.6
83.04994	4.5
83.08608	9.3
85.02911	13.6
85.06538	5.2
91.03960	6.8
91.05481	19.0
92.05811	3.7
93.07044	10.2
95.04951	11.0
95.08625	16.5
96.08928	4.1
97.02898	14.6
97.06525	3.6
97.10184	4.6
97.61252	1.8
98.97612	8.6
99.04449	2.7
101.02347	1.8
103.03958	1.9
105.07053	10.0
107.04967	4.9
107.08587	4.5
108.05243	2.4
108.08916	2.4
109.02883	4.0
109.06525	2.8
109.10163	21.3
110.97556	3.0
111.04441	2.3
111.08076	3.2
115.03968	2.0
115.05448	1.9
116.98618	4.7
117.07018	4.7
119.08562	6.8
121.06540	5.4
121.10149	5.1
123.04410	3.0
123.08092	12.6
123.11713	6.3
124.08392	3.7
124.12033	1.9
124.50180	1.6
125.09624	4.6
127.03922	3.9
128.98615	2.4
129.03790	1.7
129.07019	4.1
131.00223	2.8
131.08548	6.1
132.08902	1.6
133.06448	2.9
133.10143	5.3
135.08052	3.9
136.12018	2.2
137.09630	3.1
138.05478	7.2
139.03900	2.4
143.08545	2.1
144.71991	1.6
145.04958	2.4
145.10136	2.4
146.06830	2.0
147.11702	3.5
149.01247	2.2
149.09613	4.8
149.13275	1.8
151.07549	100.0
152.07883	41.1
156.03641	2.4
157.10136	3.7
158.10431	1.9
158.99643	5.7
161.09555	2.3
163.03941	3.3
163.11221	3.3
165.09134	8.7
166.09464	4.6
169.05090	2.3
170.99660	2.7
173.11757	7.5
175.11166	4.8
177.00670	3.4
177.05542	2.1
177.09155	2.5
185.04776	2.2
187.11147	1.7
189.00745	3.7
189.11230	3.4
189.12787	2.6
190.13089	1.9
191.10622	4.8
192.11037	6.1
193.12277	6.9
194.12520	2.3
199.06380	4.3
201.00763	1.7
201.07878	2.8
205.12253	3.4
206.12616	4.8
211.06351	3.2
211.13235	2.5
215.07478	3.9
217.07379	3.5
219.01875	2.1
219.05188	3.6
219.09058	2.5
227.12704	1.7
229.07475	34.6
229.14418	9.5
243.08801	3.2
247.08582	17.4
249.08076	3.3
252.09108	2.5
259.10165	3.9
267.09085	24.6
267.15866	5.7
269.10571	1.8
285.10120	20.1
287.09549	2.2
296.10162	32.1
296.60309	3.7
299.11740	11.8
303.10898	1.7
303.19669	3.0
304.19955	4.5
315.10941	16.5
316.61557	1.8
317.12750	9.8
320.13800	6.3
321.05002	2.4
324.11441	19.6
331.12292	2.6
340.12769	17.6
340.62952	2.1
345.15726	3.6
345.66061	1.9
350.22119	3.5
368.23108	9.1
386.24048	11.3
396.29443	3.3
401.16455	44.2
401.66586	7.0
411.96423	2.2
414.30783	6.8
416.24487	1.9
417.17703	6.8
426.18243	7.6
460.27478	19.4
478.28543	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	476.2775
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	1.8
55.01872	1.4
55.05514	7.4
57.03435	3.1
62.06096	21.5
65.03968	1.6
66.27959	1.1
67.05508	28.0
69.03421	1.4
69.07056	8.2
74.65498	1.1
78.39927	1.2
79.05502	13.9
81.03422	5.3
81.07063	21.5
83.04961	2.5
83.08620	4.7
83.51161	1.2
85.05298	1.9
91.05486	8.1
93.07054	17.4
95.04980	3.0
95.08610	15.6
95.77776	1.2
97.06503	1.5
97.10169	2.8
98.06067	11.1
98.10629	1.4
98.98473	3.9
105.07024	5.0
107.04932	1.6
107.08591	9.5
109.06553	1.3
109.10165	4.5
109.50346	1.3
111.08116	1.9
112.07583	1.7
117.07008	2.3
119.08587	5.5
121.06525	3.6
121.10145	5.3
123.11724	2.0
125.09637	1.7
131.08568	3.9
133.10097	3.9
135.11710	3.6
145.10158	2.5
147.11699	2.6
149.13266	1.5
153.12827	2.2
157.10068	1.4
161.13345	1.8
164.79594	1.2
181.72200	1.1
185.13309	1.4
198.05310	1.6
216.06442	2.1
227.12769	1.8
229.05069	1.7
232.14494	2.4
248.20242	1.3
250.99182	1.2
261.22192	4.5
304.26346	100.0
305.26712	1.7
335.25797	55.2
336.47421	1.1
402.23798	1.7
415.22260	1.4
458.26706	12.5
469.20752	1.2
476.27356	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	477.1392
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	3.9
55.01860	3.3
55.05515	6.9
57.03419	2.3
61.02905	1.4
64.21783	0.7
65.03922	1.1
65.18234	0.7
67.05504	8.4
68.99795	1.1
69.03429	6.1
69.07050	2.7
69.20005	3.2
69.20434	3.9
71.04976	1.7
71.83142	0.7
73.71756	0.8
77.03908	1.2
79.05495	6.1
81.03416	10.6
81.07063	7.1
83.08604	3.1
85.02913	10.8
85.06531	1.7
87.00835	4.3
91.03931	1.4
91.05486	5.4
93.07053	5.6
95.04977	7.7
95.08591	3.8
97.02887	6.1
97.06529	2.0
97.10163	3.7
99.04448	2.3
105.01905	2.0
105.03393	33.7
105.04478	1.3
105.07029	4.4
107.04945	3.7
107.08604	5.1
108.02084	0.8
109.02858	4.3
109.06513	1.4
109.10147	2.8
111.08076	1.2
117.07009	2.6
118.81503	0.7
119.08555	2.7
121.06502	2.7
121.10124	2.5
123.04410	1.6
123.08083	1.1
123.11664	1.3
125.09614	3.0
127.03921	6.9
129.06996	2.4
131.08580	2.6
133.06479	0.7
133.10112	2.4
135.04387	0.7
135.08066	1.3
137.05978	1.3
137.09567	1.1
143.08530	1.5
144.09238	0.8
145.04935	3.4
145.06490	1.4
145.10129	2.1
147.08067	1.5
147.11641	1.5
149.09595	1.1
151.03911	61.3
151.07381	1.3
153.09071	0.9
157.10127	2.6
159.02856	2.6
161.05914	0.9
163.11240	1.0
165.09119	2.3
169.10101	1.0
171.08078	0.9
171.11736	0.9
175.11195	1.6
175.14822	0.7
187.11270	1.1
187.14803	0.8
189.11224	1.8
193.12306	2.6
213.12848	0.7
215.14227	0.9
222.01001	0.8
227.12770	1.5
229.08604	100.0
267.15900	3.1
271.09589	1.3
273.14893	2.1
311.11157	1.8
319.09769	1.0
339.23367	1.3
345.06134	4.0
349.21524	1.2
355.09991	4.6
367.22659	6.2
385.23734	7.9
391.13696	1.1
403.24478	2.4
410.67157	0.7
433.14648	7.6
433.25333	0.9
459.27411	10.0
477.13666	25.6
477.28766	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	477.2848
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	5.2
55.01875	8.9
55.05512	51.0
57.03432	5.3
59.04990	2.0
65.03937	2.0
67.05503	40.6
68.41470	1.3
69.03417	6.2
69.03735	1.3
69.07076	10.9
71.04987	2.0
79.05494	48.4
81.03424	11.0
81.07058	36.5
81.84663	1.6
83.04972	6.9
83.08620	24.0
85.02908	1.6
85.06528	1.9
86.61800	1.2
89.47841	1.3
91.05473	21.8
91.17163	1.1
93.07049	19.9
95.04963	12.5
95.08601	14.2
97.06525	6.5
97.10173	44.0
98.21507	3.5
103.05465	1.9
105.03365	1.6
105.04528	1.5
105.07031	20.6
107.04960	31.1
107.08595	25.5
108.17530	1.2
109.06515	6.8
109.10172	11.4
111.08086	3.5
113.06025	2.4
117.07042	11.7
119.08568	13.3
121.06497	19.4
121.10153	5.7
123.04418	1.9
123.08073	7.2
123.11699	1.5
125.05988	3.4
125.09625	38.0
129.07018	11.6
131.04936	4.4
131.08571	13.5
133.06502	8.9
133.10132	6.0
135.08055	12.3
135.11708	3.7
141.07002	4.2
143.08557	6.6
145.06494	19.4
145.10139	7.3
147.04463	3.7
147.08054	8.3
147.11691	7.0
149.09592	3.8
151.07541	1.8
153.09117	10.5
153.12753	2.0
155.08539	5.2
157.06511	4.2
157.10103	6.7
159.08066	5.3
159.11691	5.1
161.06010	2.7
161.09644	4.9
163.07581	1.5
163.11218	4.8
167.08556	2.1
169.10120	5.0
171.08058	5.1
171.10153	5.4
171.11694	5.4
173.09618	4.3
175.11209	4.9
177.12779	2.9
179.08562	2.2
181.10149	3.1
183.07990	1.8
185.09662	3.3
187.11244	3.9
187.14867	2.7
189.11238	16.8
189.12799	4.0
193.12234	11.1
195.08121	2.0
195.11633	3.7
197.09744	1.7
197.13200	2.6
199.11235	5.0
201.12703	2.0
203.14288	2.2
205.12221	3.0
209.09615	1.6
209.13203	1.4
213.12744	3.4
215.10738	2.0
215.14333	5.9
217.12328	3.8
223.13293	3.8
225.12816	2.4
227.12794	5.2
231.13745	3.1
233.15388	12.1
235.13196	3.2
237.12834	3.2
239.14462	1.8
241.12247	1.8
241.14433	6.1
243.13890	2.3
245.15520	2.9
249.14923	1.6
255.13826	5.2
257.15427	2.4
259.13358	3.1
267.16034	3.1
271.17032	1.7
273.14847	19.5
275.16208	1.7
289.18030	2.6
291.15964	3.3
306.14563	1.4
321.22299	3.2
331.20511	2.7
339.23132	7.1
345.11813	1.3
347.18655	1.5
349.21539	17.6
357.24200	6.6
367.22675	56.8
368.22928	1.7
385.23740	100.0
386.23987	1.6
403.24802	21.4
405.24133	2.1
423.25287	2.5
441.26343	8.8
459.27399	85.7
477.28467	58.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.3784
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	2.8
55.05506	18.6
55.35490	2.2
57.03430	4.0
57.07064	3.4
59.04978	2.5
60.33229	2.1
67.05505	29.2
68.91296	2.1
69.03426	7.4
69.07067	14.2
71.05001	27.5
71.17230	3.2
71.17578	3.7
79.05486	24.8
81.03410	8.9
81.07056	48.8
83.04980	6.8
83.08605	14.8
85.06520	11.8
91.05484	23.4
91.37169	2.1
93.07043	48.2
95.04963	5.0
95.08603	59.8
97.06540	13.6
97.10174	11.0
99.08096	5.5
105.07032	42.9
106.13939	2.0
107.08587	78.7
109.06540	6.1
109.10162	51.5
111.08077	5.6
117.07026	9.4
117.44994	2.0
119.08582	52.7
121.10141	47.9
123.08051	4.1
123.11716	20.3
125.09628	55.2
127.07576	2.2
127.11195	17.9
129.07051	3.1
131.08578	20.2
133.10136	54.4
133.11104	3.9
135.08080	2.8
135.11676	54.1
137.09663	2.4
137.13274	3.1
142.07777	2.5
143.08537	5.6
143.10675	86.2
145.10127	31.4
147.11690	41.4
149.13252	14.8
153.12732	3.5
157.10110	13.8
159.11705	43.1
161.13287	26.8
163.11154	4.8
163.14862	6.1
165.12848	3.0
169.10144	2.7
171.11702	11.2
173.13234	17.7
175.14832	14.0
177.12833	3.2
177.16396	6.0
181.12344	2.5
185.13272	6.4
187.14830	20.8
189.16400	18.3
191.14374	4.0
191.17975	7.0
193.12122	2.4
193.15901	3.2
197.13295	3.0
199.14903	9.8
201.16382	38.5
203.17967	17.6
205.15915	13.3
207.17464	2.7
209.13217	2.4
213.16382	8.7
215.17943	12.5
217.15953	6.0
219.17488	14.6
221.19026	4.0
227.12802	4.8
227.18057	4.6
229.19572	2.9
231.17459	5.1
233.19083	5.8
239.18007	2.7
243.21077	2.3
245.18909	2.0
253.19569	2.6
269.22769	2.1
311.23724	2.4
313.25272	3.6
335.27423	2.7
341.28491	2.5
353.28317	4.0
367.30069	2.6
381.26450	2.2
381.31561	3.0
383.22250	3.5
403.33627	4.2
418.03091	1.9
421.34714	46.0
439.35754	20.8
457.37045	4.4
475.27225	16.6
475.37897	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.119
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	0.8
55.01860	0.3
57.03423	0.4
58.62811	0.3
61.02932	0.3
69.03432	1.7
70.06583	0.6
71.05025	0.3
71.53119	0.5
72.08150	0.4
73.02959	0.3
78.03454	0.3
79.05492	0.4
81.03417	4.5
81.07063	0.5
84.08144	0.4
85.02905	2.1
86.09718	0.5
89.03900	0.5
91.05473	0.3
93.07011	0.4
94.02927	0.8
95.05021	0.3
96.04458	0.3
97.02888	2.9
97.06535	0.3
99.04456	0.8
100.45242	0.3
105.03395	0.5
105.07033	0.5
107.04939	0.4
107.08621	0.5
109.02895	2.4
112.03947	1.5
117.03372	0.5
117.05501	0.4
121.06483	0.4
122.02392	37.6
122.03600	1.5
123.04425	0.9
124.03955	1.0
127.03922	1.6
133.02853	15.0
135.04439	0.4
137.05975	4.1
139.03903	0.8
140.03427	19.2
145.02904	0.5
145.04968	0.6
147.04427	0.5
149.06000	1.8
150.03120	0.4
151.03902	0.5
163.03889	1.0
163.07542	0.7
165.05447	2.2
177.05501	0.4
178.02614	6.9
191.07024	1.2
193.04967	100.0
194.05301	1.1
203.03329	0.3
209.04486	1.7
228.12253	0.3
262.14362	0.7
266.06607	7.2
268.08176	0.7
279.08514	0.5
284.07642	19.0
288.15869	0.3
312.11673	1.0
414.18958	0.5
458.21591	0.4
476.11771	6.5
476.22150	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	476.2774
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.2
53.84426	0.3
55.01877	0.8
55.05268	0.5
55.05514	7.1
57.03191	0.6
57.03440	6.3
57.07074	0.6
59.04989	0.4
62.06087	0.9
65.03957	1.0
67.05506	27.7
69.06727	0.6
69.07068	7.2
69.55913	1.5
69.56321	0.6
71.04974	1.0
79.05494	14.8
81.03413	1.8
81.07056	24.1
82.06605	0.5
83.04974	1.2
83.08628	3.3
85.06535	0.6
91.04982	0.5
91.05492	6.9
93.07040	15.0
95.04980	1.9
95.08611	19.5
96.08892	0.4
97.06532	0.7
97.10147	1.3
98.06051	1.5
98.20837	0.7
98.98422	0.9
105.04527	0.4
105.07036	4.8
107.04949	0.5
107.08598	8.0
109.06533	1.0
109.10155	6.5
111.08091	0.7
111.94424	0.4
117.07005	1.4
119.08601	2.9
121.06574	0.7
121.10144	5.1
123.08064	0.8
123.11740	1.8
125.09626	0.6
129.46939	0.4
131.08557	2.6
133.06500	0.5
133.10129	2.1
135.11684	3.1
137.13254	0.4
145.10132	1.5
147.08020	0.5
147.11694	1.5
149.09680	0.5
149.13278	1.4
153.12704	0.6
157.10120	0.5
159.11644	0.5
161.13234	1.0
163.11247	0.5
163.14847	0.5
173.13312	0.7
198.05215	0.4
201.16473	0.4
211.13130	0.4
226.07309	0.4
227.12787	0.7
232.14568	0.6
261.22241	0.6
304.22955	0.8
304.26337	11.6
308.78241	0.4
318.09705	0.4
335.25800	100.0
336.26129	0.9
402.23764	0.8
458.26624	2.1
476.27274	3.5
476.35080	1.0
485.40945	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.3785
Annotation	Unknow
Peak:m/z	Relative Intensity
52.43885	0.5
53.03947	0.7
55.05509	5.7
57.07069	3.1
59.04994	1.2
63.15887	0.5
65.03938	0.8
67.05505	6.9
69.03426	2.8
69.07071	12.5
69.46829	2.0
69.47252	2.1
71.04995	22.1
73.06552	2.8
79.05496	5.8
81.03412	1.2
81.07056	9.8
83.04982	3.3
83.08617	8.4
85.06541	10.9
91.05490	4.4
93.06550	0.9
93.07051	9.2
95.04951	1.2
95.08612	11.7
97.06517	2.0
97.10173	10.1
99.08076	2.8
105.07036	8.7
106.47509	0.6
107.08597	29.1
109.06514	1.2
109.10152	15.2
111.08081	1.3
117.06999	1.0
119.07802	1.2
119.08585	13.1
121.10149	14.2
123.08099	1.5
123.11713	5.1
125.09633	25.0
127.07536	1.3
127.11194	8.2
129.07053	0.8
131.08546	3.7
133.10126	15.9
135.08044	1.6
135.11687	13.9
137.09560	1.0
137.13153	0.8
143.10674	100.0
144.11011	1.0
145.10112	6.7
147.11688	11.4
149.09622	2.3
149.13251	4.0
151.03749	0.7
151.11163	1.3
153.09097	0.9
153.12721	0.6
157.10120	2.1
159.11684	9.1
161.13268	8.1
163.11189	1.5
163.14803	2.6
171.11678	2.4
173.13237	5.1
175.11201	1.1
175.14841	7.9
177.12718	0.6
177.16389	3.3
185.13280	2.3
187.14812	5.0
189.16380	5.2
191.17995	2.5
193.15840	0.9
199.14828	3.1
201.16386	10.4
203.14374	0.8
203.17953	8.8
205.15869	2.4
207.17534	1.0
213.09811	0.7
213.16365	3.1
215.17917	3.3
217.15886	1.9
217.19543	2.2
219.17464	8.4
221.18979	2.9
227.17950	1.0
229.19508	1.6
231.17487	3.6
233.18991	2.9
243.21124	0.7
245.19006	1.4
248.42644	0.9
253.19292	0.8
295.50256	0.8
297.25809	2.0
313.25140	0.8
315.26834	2.9
341.28473	2.0
353.28430	2.8
395.33029	1.2
397.34671	2.5
403.33414	1.6
411.36487	2.9
421.34662	30.3
422.35199	0.8
439.35736	37.1
456.16336	0.6
457.37341	3.9
475.26828	2.3
475.33823	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	475.3783
Annotation	CHEBI:67963
Peak:m/z	Relative Intensity
55.01865	7.0
55.05510	23.3
57.03406	3.9
57.07060	11.6
58.68126	4.1
59.05006	10.2
67.05505	32.9
69.03431	7.6
69.07065	29.9
71.04987	37.5
71.16475	4.7
71.44487	5.7
79.05482	22.0
81.07054	69.7
83.04980	10.4
83.08621	19.9
85.06559	20.8
91.05476	20.8
93.07045	59.8
95.04957	7.3
95.08597	92.7
97.06528	17.1
97.10166	13.1
99.08092	11.0
105.07025	58.6
107.08595	100.0
107.83186	3.9
109.06502	6.7
109.10149	75.1
111.08068	9.9
113.09626	8.7
119.08591	61.6
121.10140	64.6
123.08046	12.4
123.11710	37.0
125.09618	31.0
127.07526	7.2
127.11213	12.4
131.08600	20.3
133.10123	52.0
135.08054	7.5
135.11691	47.3
137.09668	5.6
137.13274	7.3
139.11227	5.2
141.09076	13.5
143.08623	7.7
143.10672	84.1
145.10127	36.7
147.11705	42.1
149.09700	4.8
149.13274	30.7
151.11214	7.2
153.09090	6.3
157.10052	6.7
159.10178	21.0
159.11687	49.9
161.13272	46.2
163.11148	16.2
163.14847	26.9
171.11668	6.0
173.13268	21.3
175.14818	31.5
177.12758	8.0
177.16393	15.3
185.13208	5.0
187.14894	25.3
189.12636	4.6
189.16321	20.8
191.14268	5.3
191.17876	6.7
193.15901	4.3
199.14836	8.7
201.16385	25.3
203.18008	26.0
205.15872	50.8
205.19250	3.8
207.17445	11.6
213.16266	5.8
215.17964	20.8
217.15785	6.9
219.17409	14.1
227.18063	4.6
231.17432	9.0
233.19029	11.1
253.19426	5.0
255.21037	5.3
313.25208	8.5
315.26663	5.1
381.31622	13.6
383.32791	6.8
399.32523	16.7
409.34695	5.6
421.34656	44.5
427.35571	9.2
439.35754	59.9
445.36514	4.5
457.37082	31.5
475.20374	5.0
475.33282	8.0
475.38516	7.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.3269
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	4.6
55.05506	10.1
56.18054	2.1
57.03447	14.8
57.07080	35.2
59.04997	2.7
61.02932	41.4
64.69521	2.0
67.05518	23.4
67.61446	2.5
69.03437	21.5
69.07058	13.8
69.31836	2.0
71.01339	3.2
71.04998	3.1
71.08357	2.0
71.08643	24.0
71.51976	2.2
71.52349	2.2
73.02930	21.4
79.05495	10.1
81.03426	14.8
81.07064	27.5
83.04967	5.2
83.08630	16.6
85.02909	34.0
85.06590	2.7
85.10176	18.7
87.04481	3.0
91.03959	30.3
91.05481	8.5
93.07049	14.3
95.04989	3.3
95.08620	31.4
97.02906	32.5
97.10175	8.1
99.04469	7.2
99.08120	2.8
101.02379	7.7
103.03931	4.4
105.07040	6.7
107.08577	12.8
109.02874	5.6
109.06529	3.3
109.10197	13.8
114.70741	2.9
115.03935	5.8
117.06964	2.5
119.08582	6.5
121.06517	3.1
121.10148	8.1
123.11740	8.6
127.03931	17.1
133.10158	5.1
135.11751	3.3
140.82935	2.4
142.07867	2.2
143.08690	3.1
145.04982	7.2
145.10130	4.8
147.11757	4.4
149.09554	2.7
159.11710	3.8
161.13255	2.9
165.09343	2.3
171.11632	2.9
173.13318	3.5
183.06528	5.3
201.07607	4.7
219.17084	2.7
239.23737	22.6
304.15683	2.6
313.27380	100.0
341.26727	3.0
358.03641	2.3
381.28854	2.7
388.70117	2.1
426.82266	2.3
439.36005	2.6
457.31671	7.6
475.25891	3.0
475.32382	20.1
475.38376	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.3268
Annotation	Unknow
Peak:m/z	Relative Intensity
52.72151	1.8
53.03938	6.8
55.01868	6.1
55.05505	14.0
57.03448	19.5
57.07078	45.7
59.05001	2.0
59.26525	1.8
61.02930	55.2
67.05506	28.7
69.03436	24.0
69.07070	18.2
71.01363	2.7
71.04983	7.2
71.08633	36.1
72.14249	1.7
73.02921	28.4
75.04478	2.4
79.05495	17.9
81.03421	20.2
81.07069	34.1
83.04970	5.7
83.08614	18.7
85.02908	51.6
85.10188	18.2
87.04477	4.9
91.03961	35.4
91.05479	10.4
93.07059	13.9
95.04961	5.2
95.08609	43.6
97.02900	46.2
97.06537	3.7
97.10180	7.7
99.04453	7.5
101.02409	13.0
103.03944	9.9
103.47708	2.5
105.07057	9.5
107.08588	11.5
109.02877	8.5
109.06537	2.7
109.10171	21.8
111.04423	4.1
111.11703	1.8
115.03908	4.2
117.05577	1.9
117.07076	2.2
119.08582	8.2
121.10160	6.0
123.11721	6.3
127.03926	19.1
127.11163	2.8
128.39978	2.3
129.05490	4.7
129.06975	3.4
131.08519	2.9
133.10133	4.4
135.08025	2.3
135.11687	5.7
143.10762	3.9
145.04941	8.3
147.11705	6.5
149.13271	5.5
153.12727	3.0
157.10179	2.6
161.13326	2.1
171.06448	2.0
171.11696	2.5
183.06540	6.6
201.07500	2.8
201.16302	2.5
203.18031	2.3
207.13881	3.4
207.49289	2.0
210.30025	1.8
227.12726	2.8
239.23721	28.6
257.24765	5.1
313.27386	100.0
341.26859	3.5
355.28482	3.0
421.34341	3.0
429.36249	4.7
457.31320	5.3
475.32669	35.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.3057
Annotation	Unknow
Peak:m/z	Relative Intensity
52.00274	2.2
53.03931	10.3
55.01860	8.3
55.05511	32.0
56.96587	2.4
57.03428	5.7
57.07082	4.0
59.04989	2.5
61.73483	2.6
61.78218	2.3
64.49772	2.1
65.03936	4.8
67.05508	96.2
69.03432	3.6
69.07075	26.9
71.04993	6.6
71.51968	4.3
79.05497	93.1
81.03421	28.7
81.07059	100.0
83.04982	20.9
83.08617	22.8
85.02911	3.2
85.06531	4.0
91.04912	4.0
91.05483	65.8
93.07050	94.2
93.07639	5.0
95.04964	26.2
95.08609	43.4
97.06524	13.1
97.10170	6.7
99.08084	4.5
105.04504	3.4
105.07042	41.2
107.04936	8.2
107.08595	42.1
109.06523	8.0
109.10150	9.7
111.04426	3.3
111.08086	10.1
115.05444	2.7
117.07018	14.4
119.07973	1.9
119.08594	25.5
121.06492	8.1
121.10149	24.2
123.08089	5.7
123.11662	2.9
125.09648	2.9
128.06230	3.0
129.07024	16.4
131.08556	16.4
133.06502	3.0
133.10158	15.8
135.08031	2.8
135.11707	15.3
142.07765	3.4
143.08556	10.8
145.10146	14.1
147.11696	31.9
149.09607	3.0
149.13264	23.0
153.12726	10.5
157.10077	5.5
159.11719	11.9
161.09579	6.3
161.13295	10.9
163.11230	5.9
171.11670	24.2
177.12730	4.3
181.12247	5.7
183.11609	3.7
189.09122	2.5
189.12724	11.9
193.12231	7.5
195.13782	10.3
207.13821	27.3
211.13168	2.7
211.15005	2.4
227.12831	10.7
263.35962	2.5
269.17575	3.9
383.22177	2.7
475.31448	89.2
476.31390	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.2693
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02369	1.0
51.35353	0.8
53.03931	2.5
55.01878	6.9
55.05278	1.0
55.05516	14.2
55.90012	0.7
57.03436	4.3
59.04989	1.5
65.03934	1.7
66.64994	0.7
67.05508	28.1
68.76289	0.7
69.03429	2.9
69.07082	5.7
69.77933	3.7
71.04988	2.3
79.05067	1.5
79.05495	20.5
81.03423	48.9
81.07062	17.6
83.04988	10.4
83.08157	0.9
83.08623	13.0
85.02896	1.3
85.06524	1.2
91.05487	19.5
93.03369	1.2
93.07047	16.3
95.04975	17.8
95.08060	1.0
95.08618	12.7
97.02908	5.5
97.06530	4.2
97.10172	6.0
98.20834	1.1
99.04464	1.5
103.05421	1.5
105.03400	0.8
105.07034	11.2
107.04304	1.3
107.04967	17.3
107.08604	13.3
109.02884	1.8
109.06524	2.8
109.10156	9.7
111.04455	5.4
111.08104	5.8
115.05461	2.2
117.07038	7.3
119.04938	0.8
119.08597	10.3
121.02882	7.0
121.06528	5.6
121.10131	6.3
123.04418	2.5
123.08083	2.9
125.05995	1.2
125.09638	4.7
128.06229	1.7
129.07007	8.4
130.07747	1.0
131.04961	2.3
131.08572	7.8
133.06499	4.1
133.10143	3.4
135.04417	4.5
135.08055	3.8
135.11688	10.5
137.05994	1.6
137.09634	1.8
139.07524	1.1
141.07002	1.6
142.07794	1.4
143.08589	2.2
145.06519	4.2
145.10121	10.6
147.08046	4.1
147.11722	4.6
149.05957	1.0
149.09622	2.7
153.09152	1.3
153.12746	12.8
155.08566	2.6
157.06439	1.1
157.10173	6.3
159.08089	1.8
159.11682	1.9
161.06023	2.6
161.09604	1.3
163.11183	14.5
167.08612	1.1
169.10120	1.0
171.08054	1.4
173.05956	1.3
173.09631	3.0
173.13206	1.2
175.11220	4.5
181.12234	6.7
183.11696	2.0
185.09621	1.7
185.13347	1.4
187.46112	0.9
189.09201	1.6
189.11255	2.4
191.10712	3.2
193.10449	1.2
193.12231	15.6
197.09599	1.2
201.09203	1.3
201.12819	2.5
209.11655	6.8
211.11226	2.1
211.13261	2.0
213.12762	1.3
217.05040	1.1
219.13811	3.5
227.12788	30.5
229.12344	1.9
231.13852	2.4
247.13309	24.4
249.14880	4.5
259.13147	0.9
265.14386	3.7
267.15942	2.2
269.15292	1.0
271.13297	1.3
273.14832	1.3
289.14325	2.9
301.14642	0.9
337.21667	1.6
355.22650	2.5
365.21130	3.2
383.22272	12.8
401.23175	5.0
409.92334	0.8
419.24609	1.7
431.24335	1.3
439.24686	1.2
454.20953	0.9
457.25882	10.8
475.26953	100.0
476.27112	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.2691
Annotation	Unknow
Peak:m/z	Relative Intensity
50.86266	0.9
51.02382	1.1
53.03940	5.6
53.20016	0.8
55.01870	7.2
55.05267	1.8
55.05512	17.9
57.03427	3.8
57.07074	1.3
61.84783	1.0
63.45996	1.0
65.03941	0.8
67.05505	30.7
69.03415	3.5
69.07072	8.7
69.52110	5.9
71.01349	1.1
71.04980	3.5
73.02918	1.0
79.05494	40.1
81.03419	83.2
81.07058	27.8
83.04974	11.8
83.08617	21.6
85.06525	1.3
90.79877	0.9
91.05483	28.7
93.07044	41.9
93.07642	2.0
94.01079	0.8
95.04970	26.1
95.08606	35.8
97.02881	6.4
97.06525	5.6
97.10171	3.5
98.20792	1.7
99.04441	4.2
100.96673	0.9
103.05430	1.1
105.07034	17.3
107.04951	14.7
107.08595	27.5
109.02843	1.2
109.06527	4.0
109.10181	5.0
111.04452	6.0
111.08082	5.5
115.05434	2.3
116.06187	0.9
117.07029	10.1
119.04955	1.3
119.08581	17.2
121.02868	2.9
121.06507	8.4
121.10135	16.2
123.04427	1.1
123.08055	2.5
125.06013	1.9
125.09620	1.2
128.06238	1.0
129.07010	10.6
130.07803	1.6
131.08574	9.4
133.06485	3.1
133.10159	5.2
135.08034	3.4
135.11690	44.6
137.09674	1.4
139.07536	2.0
142.07802	2.7
143.08556	2.0
145.06520	2.3
145.10121	27.7
145.11275	1.4
147.08055	3.1
147.11725	5.3
149.09630	3.8
151.11145	0.9
153.12723	10.1
155.08525	1.7
157.10129	8.6
159.08046	2.0
159.11652	1.4
161.06027	1.6
163.11176	53.2
165.09135	0.9
171.08017	1.1
175.11195	5.2
181.12218	14.7
191.10686	2.4
193.10474	1.3
193.12257	27.4
209.11668	4.5
227.12776	98.2
231.13826	1.5
247.13307	2.4
249.14880	3.3
265.14380	1.0
272.04190	1.0
289.14359	1.8
365.21179	2.2
383.22110	8.0
401.23267	4.0
453.21854	1.2
457.25992	6.6
475.26923	100.0
476.27280	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.2177
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	2.4
53.43092	1.5
55.01873	2.8
55.05498	4.6
56.96553	4.5
57.03435	2.6
59.05005	1.5
62.71091	1.2
67.05497	5.3
69.03439	10.2
69.07064	4.9
70.06374	6.2
71.04977	5.3
72.08154	3.2
73.02909	2.1
77.26208	1.2
77.52090	1.2
79.05481	5.5
81.03416	8.2
81.07065	11.9
83.01359	2.4
83.04977	5.3
83.08615	3.1
85.02913	19.2
85.06548	5.5
86.09724	7.2
87.00844	7.3
89.03888	1.5
91.05485	5.3
93.07044	10.4
95.04955	4.4
95.08620	11.3
97.02898	81.1
97.06528	5.1
98.21404	2.3
99.04455	10.2
99.08108	12.4
101.06029	2.9
105.01865	5.4
105.03401	5.3
105.07049	9.0
107.04929	3.4
107.08607	24.9
109.02889	5.6
109.06538	5.4
109.10162	10.7
111.04395	1.5
111.08095	4.0
115.73415	1.4
119.08618	3.9
120.08080	1.3
121.02877	2.0
121.06504	8.4
121.10147	22.6
123.04436	4.4
123.08064	8.8
123.11731	2.9
124.99133	2.3
125.09644	7.3
127.03918	12.4
127.11069	1.4
131.08513	6.6
133.10143	13.5
135.04393	2.1
135.08080	8.6
135.11700	4.0
137.09647	5.1
139.07545	2.4
139.11160	2.2
143.00174	2.2
145.04953	3.2
145.10103	3.1
147.04456	3.9
147.11696	4.9
149.08441	1.7
149.09633	31.3
149.13297	8.4
151.03920	18.1
151.11176	11.5
152.04239	9.9
153.09111	4.9
159.02896	1.6
163.03944	6.6
163.14833	12.3
172.14465	1.4
173.13269	12.6
180.85568	1.6
185.16519	1.7
191.14323	37.2
209.15384	100.0
219.06557	1.5
219.10159	17.1
220.10471	15.8
227.16444	29.7
231.04941	2.0
237.00826	3.7
237.07654	3.5
254.57458	1.6
255.01816	4.5
263.14285	1.9
273.02847	3.8
311.11380	2.3
362.44418	1.5
372.15103	3.0
383.64841	1.4
393.05136	2.2
411.06305	2.2
429.07358	6.9
475.14874	6.0
475.21747	5.8
475.32623	62.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.2178
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	3.3
54.70135	1.4
54.82673	1.6
55.01863	4.5
56.05038	1.9
57.03443	3.4
59.04994	1.4
61.02926	3.0
65.03933	2.1
67.05504	6.4
69.03425	9.0
69.07072	3.5
69.48389	12.1
70.06567	1.9
71.04994	10.2
73.02930	2.3
81.03428	9.1
81.07058	7.2
83.05000	2.5
83.08630	3.1
84.08149	63.9
85.02913	23.4
85.06546	7.5
87.00813	7.8
89.03916	3.2
91.05476	6.1
93.07047	11.2
95.04973	70.7
95.08612	5.7
97.02896	7.0
97.06535	6.0
99.04459	26.4
99.08082	7.9
99.20876	1.6
105.01855	6.4
105.07041	14.1
106.01500	1.6
107.04924	1.5
107.08606	16.2
109.02880	6.3
109.06519	6.4
109.10159	26.2
111.08109	3.6
115.07572	3.3
116.07043	1.7
117.03399	5.2
119.08573	5.5
121.10133	8.2
123.08096	2.3
123.11709	17.6
125.09689	2.1
127.03924	15.3
127.07565	3.0
131.08606	7.7
133.10139	73.5
135.04359	2.1
135.08058	5.9
139.11201	4.4
141.33105	1.6
145.02837	12.6
145.04993	4.9
145.10114	3.0
147.04433	3.7
147.11681	3.5
149.05930	2.0
149.09589	2.3
149.13269	4.3
151.11179	15.5
153.09109	33.3
158.10948	2.0
159.02907	3.9
163.03897	9.4
163.14810	3.8
169.12262	11.7
173.13268	31.2
177.05493	23.1
191.14316	57.0
209.15376	100.0
227.16405	18.8
231.05045	1.7
311.11505	2.7
399.91135	2.2
411.26349	12.3
429.27490	6.3
475.15100	2.8
475.22400	2.1
475.28201	42.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.1772
Annotation	Unknow
Peak:m/z	Relative Intensity
52.18808	0.5
61.97110	0.5
65.53174	0.5
69.03416	0.7
69.47110	4.0
70.02942	2.0
70.06578	0.7
74.02442	25.0
74.06054	0.6
84.08141	0.9
85.02888	0.8
87.05595	28.6
88.03988	6.5
89.03914	1.1
94.06574	1.4
99.74945	0.6
109.97848	0.5
116.03455	7.4
117.03346	1.8
118.03626	0.5
133.06093	100.0
134.04524	1.2
135.04396	3.4
138.05519	1.5
145.02879	1.9
163.03915	15.6
164.04213	1.0
176.01111	1.2
196.04431	0.6
197.07764	0.6
207.34157	0.6
221.02986	1.5
225.00201	0.7
313.01605	0.8
355.11823	0.5
364.10733	0.6
377.07608	0.9
475.05219	0.6
475.11612	2.7
475.18256	0.7
476.10391	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.1239
Annotation	Unknow
Peak:m/z	Relative Intensity
51.04753	0.4
52.32159	0.3
55.01867	0.9
55.05504	0.8
57.03433	0.6
61.02924	0.8
65.03944	5.9
67.05505	2.3
68.99781	1.1
69.03421	1.0
69.07066	0.9
71.05006	0.7
71.52960	0.5
79.05492	1.7
81.03413	1.2
81.07058	1.6
83.05000	0.6
83.08605	0.5
85.02916	2.9
87.00821	1.1
91.05484	100.0
92.05824	0.6
93.03409	3.4
93.07037	1.3
95.04988	1.3
95.08613	1.7
97.02889	2.0
97.06506	0.6
98.97598	0.6
99.04449	1.1
103.03954	0.6
103.05461	0.6
105.03406	0.5
105.07032	3.7
107.04953	1.5
107.08617	1.5
109.02908	0.6
109.10178	1.5
111.00574	0.3
111.08096	0.4
115.05460	0.9
117.03373	0.5
117.07016	0.9
119.04943	1.2
119.08592	0.9
121.06538	0.8
121.10149	1.2
121.53051	0.4
123.04431	0.5
123.08075	0.7
123.55729	0.3
125.09643	0.5
127.03925	0.7
128.07130	0.3
129.01862	1.4
129.06990	0.6
131.04947	0.7
131.08556	0.9
133.06512	1.1
133.10132	0.9
134.79272	0.3
135.04477	0.6
135.08096	0.4
135.11737	0.6
143.08603	0.6
145.06435	0.5
147.02910	0.6
147.04459	1.2
147.08092	0.5
147.11624	0.5
149.02406	1.8
151.07521	2.1
155.04924	0.6
159.04395	0.5
161.02414	0.8
161.06023	0.8
163.03954	0.6
163.11154	0.5
163.14825	1.5
165.09148	2.2
167.03418	1.6
173.02280	1.9
173.06082	0.5
175.03954	1.3
178.07788	0.7
179.03375	2.6
185.05806	0.4
186.03188	0.4
187.03964	1.2
187.10869	0.8
189.01947	0.4
189.03984	0.6
191.03378	4.6
191.10654	0.5
191.14384	0.6
193.04993	0.5
193.10213	0.5
193.43538	0.4
197.04422	0.6
199.03970	0.6
201.05528	1.6
203.03371	2.9
207.02867	0.7
209.15421	1.3
215.03389	3.6
217.05055	0.6
221.04512	0.7
221.09691	1.2
227.03366	0.5
227.16412	1.4
229.05095	1.1
233.04475	6.6
233.09595	0.5
237.09300	0.5
239.07050	4.0
239.10699	0.6
245.04404	2.6
251.07022	1.8
257.04507	2.9
257.08115	3.6
263.05643	1.3
264.36307	0.4
265.08664	1.5
267.06372	0.4
269.08191	1.6
275.05621	1.4
279.10168	2.0
281.08167	1.2
289.08719	0.7
289.14023	0.4
293.08121	14.6
305.08112	0.8
307.09763	1.3
311.09137	8.2
311.12610	0.7
317.07925	3.1
323.09225	3.3
335.09149	21.5
336.09665	0.5
343.04669	0.4
349.06009	0.5
353.10208	8.8
361.05515	0.7
367.06738	0.7
371.11115	0.9
383.22168	1.1
409.09302	1.4
421.09219	2.0
439.10339	6.9
457.11160	3.1
457.25952	1.0
475.15833	3.2
475.26672	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	474.1509
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	4.1
57.03423	2.1
59.05004	18.3
67.05502	1.5
68.99796	2.0
69.03420	4.0
70.06588	3.8
70.10490	3.8
71.06112	1.7
72.08154	2.9
79.05475	1.6
81.03416	1.9
81.07064	1.2
82.02923	2.1
83.86075	1.0
84.08138	2.2
85.02892	4.4
86.09693	5.2
86.51946	1.0
87.04481	2.0
87.05584	2.0
89.07160	2.7
89.71510	1.0
91.05457	3.1
93.03373	1.5
93.07037	1.7
95.04979	2.5
97.02898	3.8
99.05621	1.2
103.07613	5.7
105.03347	1.6
105.06968	1.2
109.02846	1.5
109.06549	1.1
115.03880	1.1
117.09134	3.0
121.06512	2.3
123.04430	86.1
124.04764	1.2
127.03931	2.0
127.05086	1.3
131.08575	1.4
131.52956	1.0
133.04929	1.2
134.75577	1.0
135.04411	4.8
136.03969	1.5
138.05482	1.5
139.03889	10.4
141.01826	1.5
144.08023	2.0
145.08401	2.2
147.04396	4.7
149.02348	6.2
150.05528	1.6
151.03918	4.4
156.07707	5.7
158.04478	3.5
158.09613	1.4
161.05949	2.3
161.11736	2.3
162.05507	15.6
162.09076	1.9
163.03877	10.2
163.07484	1.4
167.04486	5.1
173.05942	1.5
173.13177	1.8
175.03871	2.0
175.13268	1.8
177.01862	16.6
178.04994	41.3
178.06517	2.2
180.08815	2.4
184.07190	21.1
186.09209	1.6
187.03955	1.3
187.09435	1.6
190.04942	2.9
191.07083	3.6
196.92009	1.0
197.05669	3.3
201.05388	1.3
203.03265	1.2
205.01302	6.9
205.10530	1.7
206.04492	7.4
208.09680	6.0
209.05695	1.9
209.15414	1.7
213.05537	1.2
217.08492	1.2
221.05605	2.1
223.02362	8.6
236.05566	9.7
247.13016	1.3
253.04929	1.9
263.06641	100.0
269.04468	1.4
275.06671	4.0
280.10754	1.1
281.04736	1.2
281.07767	2.6
287.06537	2.3
291.06091	83.2
293.07651	11.9
295.21182	9.9
305.07727	1.3
309.03998	2.6
312.08548	2.4
321.07196	4.4
322.10266	2.6
330.09958	1.6
337.03418	7.0
355.04788	2.6
397.10361	10.9
407.08603	1.8
415.11407	10.5
425.09836	20.0
443.10867	9.0
456.13550	2.7
456.20035	2.8
474.14526	13.2
474.20563	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	473.363
Annotation	Corosolic acid
Peak:m/z	Relative Intensity
53.03953	3.2
55.01865	8.8
55.05508	15.8
56.96551	2.8
57.03418	2.6
57.07063	3.7
59.05010	3.8
63.61739	2.2
67.05502	30.9
69.07070	19.3
69.28050	2.9
69.28387	20.3
71.04998	3.5
72.68507	2.5
79.05502	22.3
81.07059	52.9
83.04961	4.6
83.08620	9.2
85.02921	2.8
85.06546	3.9
87.04469	4.2
91.05479	20.6
93.07044	45.0
95.04980	3.2
95.08612	85.6
97.06531	14.7
97.10188	6.1
98.91679	2.3
98.98473	4.3
99.08071	4.3
105.07045	45.3
107.08599	69.5
109.06524	5.3
109.09475	3.9
109.10165	41.3
111.08109	4.8
115.07565	9.9
117.07053	6.8
119.08586	46.5
121.10151	43.1
123.08073	7.8
123.11682	17.2
125.09637	10.4
129.07008	4.4
131.08563	15.9
133.10130	39.1
135.08078	22.5
135.11710	38.0
137.00101	2.6
137.09630	5.7
137.13263	6.5
139.11223	2.6
142.07811	2.9
143.08537	7.6
143.10641	4.1
145.10136	33.3
147.11707	29.0
149.09644	5.5
149.13269	21.8
151.07549	4.2
151.11166	5.7
151.14856	3.1
155.01076	3.1
157.10147	13.2
158.10878	3.1
159.11702	39.9
161.09656	6.9
161.13268	29.1
163.11195	5.0
163.14796	11.7
171.11697	7.9
173.09547	3.3
173.13275	25.3
175.11166	8.0
175.14809	22.4
177.12802	6.7
177.16379	12.6
179.18138	2.2
183.11694	3.0
184.12373	2.3
185.13261	5.5
187.14789	15.0
189.12802	5.9
189.16379	15.6
191.14389	2.7
191.17984	7.3
197.13298	2.4
199.14844	16.6
201.16409	30.0
203.14272	14.7
203.17952	9.0
205.15910	19.7
207.17416	4.8
211.14850	3.5
213.16403	10.1
215.14502	4.3
215.17975	19.8
217.15900	7.1
217.19490	2.6
219.17520	12.5
221.15430	8.6
223.14738	2.7
227.17906	2.5
229.15964	4.7
231.17450	8.0
233.19034	7.6
311.23453	3.6
313.25125	5.6
320.49921	2.5
329.24881	4.2
331.26340	5.7
359.29404	7.9
371.29602	4.4
379.29880	4.1
397.30865	13.8
407.32883	6.6
419.33099	19.6
425.34088	22.7
427.35724	7.8
437.34201	100.0
443.35123	4.9
444.23093	2.7
455.35199	61.7
473.19928	4.2
473.29758	4.5
473.36633	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	473.3631
Annotation	Kuguacin R
Peak:m/z	Relative Intensity
53.03941	5.1
55.01864	11.2
55.05513	26.0
57.07075	5.9
59.04988	9.4
65.03940	2.6
67.05505	40.9
69.03410	5.4
69.07073	38.8
71.04984	9.3
71.16798	4.8
79.05501	31.2
81.06599	4.2
81.07061	72.9
83.05003	12.6
83.08619	14.6
84.35253	2.1
85.02872	4.1
85.06545	14.0
87.04448	6.6
90.14610	2.6
91.05482	29.9
93.07051	65.6
95.04951	7.1
95.08608	100.0
96.08933	2.8
97.06528	26.7
97.10157	7.8
99.08097	7.6
101.06036	2.6
105.07036	61.1
107.07877	4.7
107.08599	95.9
109.06490	4.8
109.10159	70.6
111.08098	11.4
113.09621	5.0
115.07584	20.3
117.06994	7.7
119.08588	77.5
120.08839	3.1
121.06464	3.3
121.10148	78.2
123.08016	9.7
123.11697	33.3
125.09623	16.3
127.07513	3.2
128.06184	3.7
129.07051	3.4
131.08600	15.1
133.10141	62.7
135.08060	40.4
135.11694	48.5
137.09619	9.1
137.13232	12.1
141.09065	13.5
143.08531	10.5
143.10670	11.2
144.09265	3.1
145.10126	40.1
147.11688	43.0
149.09677	11.6
149.13260	35.2
151.07532	6.4
151.11183	8.5
151.14764	3.1
156.09311	4.7
157.10126	18.5
158.10851	3.9
159.10471	3.9
159.11703	57.2
161.09602	9.3
161.13275	52.1
163.11171	8.8
163.14825	13.0
169.10027	5.5
171.11707	12.7
173.13239	28.7
175.11171	18.4
175.14841	35.3
177.12756	8.8
177.16391	15.7
185.13237	7.8
187.14809	18.9
189.12721	9.3
189.16357	27.0
191.14334	5.9
191.17863	7.2
193.15926	3.7
195.11600	2.8
197.13165	3.7
199.14822	25.7
201.16389	32.6
203.14319	26.8
203.17976	11.8
205.15869	29.3
207.17444	4.2
211.14793	3.0
213.16335	9.1
214.55719	2.7
215.17931	19.5
217.15883	11.7
219.17465	22.7
221.15305	11.3
221.19072	2.9
225.16443	3.0
227.18018	5.0
229.15981	5.8
229.19363	3.7
231.17410	10.7
233.19090	12.8
235.17030	5.0
237.18387	4.0
241.19449	2.9
243.21130	3.3
257.22586	2.8
269.22501	2.7
299.23798	3.2
311.23645	3.3
313.25174	10.2
327.26917	2.6
329.24738	7.0
331.26297	7.5
341.28333	3.7
345.27682	2.9
359.29391	12.9
371.29376	3.7
379.29773	13.1
397.30893	24.2
407.33160	6.5
409.34534	5.3
413.33759	5.6
415.32053	2.9
419.33167	15.4
425.34119	39.2
427.35330	11.9
437.34192	80.6
443.35010	2.9
455.29117	4.0
455.35239	77.8
473.36218	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	473.3627
Annotation	Cyathic acid
Peak:m/z	Relative Intensity
55.05500	9.5
67.05504	14.7
69.07068	13.3
70.91255	7.0
71.05009	3.8
79.05501	13.2
81.07062	26.2
83.08633	8.8
91.05492	15.8
93.07040	39.5
95.04977	4.2
95.08610	54.7
97.06553	5.8
97.10157	4.9
99.08112	19.2
105.07033	36.6
107.08596	57.3
109.10151	24.9
113.09635	3.9
117.07030	4.4
119.08586	61.2
121.10153	43.4
123.11709	11.6
125.09651	5.4
131.08582	31.4
133.10127	44.5
135.11700	27.9
137.13261	7.2
143.08566	5.9
145.10144	34.5
145.11185	4.9
147.11702	50.6
149.13234	15.6
154.94214	5.2
157.10159	9.2
159.11685	39.4
161.13284	26.1
163.14809	17.9
173.13248	22.2
175.14775	18.8
177.16385	7.0
185.13158	5.3
187.14842	45.9
189.16365	23.4
191.17957	100.0
193.15919	4.1
199.14867	4.8
201.16379	64.1
203.17949	31.6
213.16374	6.2
215.17882	7.4
217.19508	11.7
219.17419	12.8
227.17963	4.9
229.19547	7.0
287.23743	4.3
313.25247	5.3
391.33588	9.3
406.80817	3.5
409.34726	41.3
419.33197	4.2
427.35718	10.1
437.33859	17.0
455.35208	65.6
473.19440	7.1
473.36578	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	473.3629
Annotation	Corosolic acid
Peak:m/z	Relative Intensity
55.05498	17.2
56.96540	4.0
57.03416	4.4
57.07072	7.0
61.02914	4.1
65.03924	4.7
65.14521	3.9
67.05511	42.3
69.07071	25.9
69.50289	14.3
69.50718	13.3
71.04992	5.1
79.05496	34.1
81.07063	61.6
83.04968	10.3
83.08601	14.1
86.09702	5.1
87.89636	4.3
91.03894	6.0
91.05483	24.0
93.07049	51.4
95.04970	9.0
95.08611	100.0
97.06552	8.0
97.10148	14.8
98.19843	4.1
98.21490	6.7
98.37740	4.7
99.08073	7.3
105.07043	51.0
106.04845	4.4
107.08596	93.9
109.06539	7.0
109.10156	62.5
111.08072	7.1
117.07008	10.6
119.08585	56.7
121.10157	58.3
123.08063	15.8
123.11694	17.8
125.09622	29.9
131.08591	22.0
133.10133	47.1
135.08060	25.9
135.11688	40.1
135.31670	4.8
137.09608	7.8
137.13254	5.8
141.09047	5.8
143.08537	11.1
145.10132	40.6
147.07913	4.7
147.11699	37.3
149.09578	14.0
149.13298	22.8
157.10100	14.0
158.05309	4.2
159.11713	51.9
161.09479	5.9
161.13278	28.0
163.11166	13.1
163.14851	17.0
165.09142	6.3
169.10118	4.5
171.11713	9.9
173.11942	3.9
173.13268	28.9
175.11139	9.2
175.14862	20.3
177.12782	5.8
177.16396	9.0
185.13312	8.5
187.14914	24.1
189.16374	25.1
191.14348	4.8
191.17958	4.7
197.13226	5.9
199.14807	15.5
201.16399	31.7
203.14362	12.4
203.17961	14.0
205.15938	21.7
213.16353	9.2
215.17984	21.4
217.15906	10.7
219.17392	11.4
221.15381	16.4
229.15715	5.4
231.17473	8.5
233.19089	8.3
313.25293	9.3
329.24780	6.0
357.27786	15.6
409.34235	4.8
419.33115	24.5
437.34201	83.1
455.35330	33.0
473.36111	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	473.3627
Annotation	Corosolic acid
Peak:m/z	Relative Intensity
53.51170	4.3
55.05506	18.4
59.37532	3.8
61.02918	6.7
65.51160	4.1
67.05505	36.1
67.41644	3.8
69.03418	5.7
69.07069	32.5
75.09700	3.9
79.05486	36.3
79.93143	4.6
80.62807	3.5
81.03423	4.5
81.07063	68.2
83.04972	8.9
83.08624	17.7
85.02908	9.0
85.06513	4.5
87.03867	4.3
91.05490	27.8
93.07045	55.9
95.04967	5.2
95.08614	93.9
97.02908	7.8
97.10178	9.4
99.08105	6.3
103.95743	4.0
105.07033	50.7
107.08599	100.0
109.06491	5.9
109.10166	57.1
111.08118	4.5
117.07020	10.2
119.08591	58.5
121.06490	7.1
121.10140	57.8
123.08064	8.2
123.11697	24.8
125.09651	14.3
131.08597	28.7
133.10133	67.2
135.08070	22.8
135.11699	42.6
137.09627	9.2
137.13312	5.8
143.08582	9.6
145.10120	42.6
147.11682	45.4
149.09653	8.9
149.13287	30.6
151.07559	10.3
151.11223	5.7
156.65495	4.0
157.10159	15.3
159.11687	50.7
161.09627	7.8
161.13318	35.5
163.11273	7.7
163.14836	15.9
169.10240	5.2
171.11674	13.5
173.13228	25.6
175.11237	9.0
175.14828	29.0
177.12756	10.6
177.16382	11.6
177.25441	5.3
185.13332	6.9
187.14799	24.1
189.16386	27.7
191.14320	8.5
191.17949	9.6
199.14813	14.4
201.16412	34.8
203.14319	13.5
203.17992	12.7
205.15904	40.4
207.17433	14.4
213.16237	7.6
215.18016	27.1
217.15900	6.2
217.19485	5.4
219.17407	11.3
221.15407	11.5
229.19431	7.2
233.19144	5.0
255.17413	4.3
285.25916	6.3
295.24246	6.3
311.25824	8.5
313.25220	22.6
331.26672	6.2
349.11078	4.2
357.27780	10.8
419.33215	11.2
427.35751	80.7
437.34305	57.6
455.35007	16.9
473.29617	6.9
473.36121	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	473.3629
Annotation	Corosolic acid
Peak:m/z	Relative Intensity
50.53386	2.8
53.03930	4.7
55.05519	18.8
55.17923	2.9
57.03429	4.6
57.07084	3.9
63.18079	3.0
67.05508	34.4
69.03421	4.0
69.07064	28.3
69.73167	18.9
71.04987	13.7
71.08645	4.0
79.05486	27.8
81.03402	5.3
81.07056	48.1
83.04976	6.8
83.08609	14.9
85.02916	7.1
91.05486	31.5
93.07053	54.1
95.05024	3.8
95.08608	88.4
97.10147	5.8
98.21494	6.0
99.08082	9.7
105.07039	64.0
107.08598	100.0
109.06493	4.2
109.10159	53.1
111.08088	7.9
113.09603	16.9
117.06997	7.0
119.08577	74.1
121.10152	58.8
121.42231	3.8
123.08046	8.6
123.11722	23.9
125.09631	14.0
127.11191	5.7
129.06996	4.0
131.08580	23.7
133.10130	68.8
135.08060	20.2
135.11691	35.2
137.09610	8.2
137.13245	7.9
143.08568	10.4
145.10117	34.8
147.11685	46.8
149.09625	9.3
149.13258	26.9
151.07509	9.2
151.11124	4.7
157.10104	10.3
159.11684	34.4
161.09618	3.8
161.13257	36.8
163.11191	14.5
163.14815	14.6
171.11671	10.5
173.11880	4.9
173.13269	18.9
175.11142	9.7
175.14819	29.5
177.12679	7.2
177.16383	6.4
179.14355	4.2
183.11690	5.0
185.13272	10.8
187.11270	4.4
187.14790	19.0
189.12836	4.4
189.16409	14.7
191.14328	6.5
191.18059	3.8
193.12263	4.6
193.15886	9.5
197.13150	4.3
199.14821	9.9
201.16385	25.0
203.14270	18.2
203.17923	15.0
205.15852	17.1
207.17409	10.4
213.16328	7.3
215.17918	19.6
217.15913	11.8
219.17432	10.1
221.15344	24.0
221.19002	8.5
223.14792	4.0
225.16335	4.8
227.17996	4.3
229.16051	3.7
229.19434	5.4
231.17413	5.6
233.18990	15.8
235.16862	6.8
239.17865	3.6
243.17250	3.6
247.16905	4.9
253.19537	3.8
267.08936	5.3
295.24191	6.7
301.25156	3.3
313.25266	29.6
329.24683	9.6
331.26315	7.7
351.26703	3.8
369.27911	9.5
409.34641	6.3
419.32922	14.3
427.35837	15.4
437.29010	4.7
437.34280	66.8
455.35229	47.4
473.29886	5.1
473.36389	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	473.3266
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	2.9
54.38309	2.9
55.01862	3.3
55.02400	2.4
55.05513	16.7
56.68537	2.7
56.96562	3.7
57.03432	3.4
67.05502	32.5
69.07078	16.5
71.53225	3.7
71.59601	2.7
79.05499	25.8
81.03451	5.7
81.07056	46.2
83.04974	6.2
83.08613	9.1
85.02903	5.6
85.06548	5.7
91.05486	38.8
93.07056	51.9
95.04964	8.4
95.08608	42.9
97.06559	5.2
99.08112	16.4
105.07034	69.2
107.04961	6.4
107.08598	65.7
109.06539	4.6
109.10162	30.5
117.07001	18.4
119.08586	100.0
121.06490	8.6
121.10136	34.0
123.08059	8.0
123.11754	5.9
125.09652	4.3
127.11177	6.7
128.06241	3.5
129.07037	8.4
130.07841	3.0
131.04953	3.9
131.08575	64.8
133.10139	59.7
135.08047	8.0
135.11694	22.9
137.09595	3.2
141.06917	3.7
142.07771	3.8
143.08575	19.4
144.09354	4.3
145.06445	4.0
145.10130	69.3
147.08006	3.8
147.11688	72.2
149.09592	7.1
149.13293	16.0
151.11189	5.0
155.08557	7.4
156.09346	4.4
157.10121	27.1
159.08041	5.0
159.11688	43.3
161.09602	9.4
161.13252	51.5
163.11191	7.4
163.14838	19.9
165.09291	2.9
169.10133	10.7
170.10904	5.2
171.11673	19.1
173.13264	47.6
175.11179	3.9
175.14827	25.0
177.12770	17.2
177.16393	4.2
179.14340	3.7
181.10254	2.7
183.11678	8.3
185.13234	35.4
187.14827	60.1
189.12785	10.8
189.16379	13.7
191.14273	26.2
193.12466	3.1
195.11731	3.1
195.13710	2.9
197.13217	9.7
199.14861	26.8
201.12772	4.5
201.16397	54.1
203.14316	17.6
203.17918	5.5
205.15866	4.0
207.13831	12.6
207.17572	2.8
209.13275	6.5
211.14810	8.2
212.15729	3.0
213.16490	8.0
215.14362	3.5
215.17995	4.5
217.15872	9.4
219.13925	3.2
219.17465	18.7
221.15379	4.0
221.20035	3.2
225.16547	3.9
227.17914	5.0
229.15942	6.5
233.13435	3.1
233.15605	3.9
237.16435	3.8
239.18082	4.0
241.19417	3.4
245.15282	2.9
247.16940	8.3
251.18019	6.5
267.12750	7.5
285.13727	6.7
293.20398	4.2
319.24194	5.8
321.22192	3.8
363.30539	4.3
373.28775	10.1
381.31525	4.8
391.29926	58.5
397.31305	6.0
409.30911	51.1
419.29373	10.3
420.60587	3.2
427.32010	20.9
437.30270	21.0
455.31519	18.3
473.25720	13.4
473.33078	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	473.2901
Annotation	Paeonenoide A
Peak:m/z	Relative Intensity
51.02372	1.2
53.03733	0.9
53.03947	8.0
55.01880	3.6
55.05511	18.4
57.03446	3.5
57.07058	1.1
57.55742	0.7
65.03950	3.4
67.05507	47.6
69.03418	3.6
69.07064	9.5
70.76411	1.9
71.04994	3.3
73.06570	1.4
76.86473	0.7
77.03912	1.6
79.05008	1.4
79.05492	65.4
81.03418	93.2
81.07056	34.2
83.04982	11.3
83.08620	18.4
85.06557	2.0
91.05481	56.3
93.07046	46.2
95.04971	34.9
95.08608	19.0
95.09142	0.4
95.09234	0.7
97.02888	3.0
97.06525	5.4
97.10182	6.2
99.08092	1.7
103.05477	2.1
105.04513	2.6
105.07033	42.2
107.04952	10.7
107.08589	12.8
109.06501	6.8
109.10159	6.9
111.04436	1.3
111.08076	7.2
115.05451	3.7
117.07024	8.0
119.04951	1.6
119.08584	26.5
121.06489	4.3
121.10140	7.6
123.08059	5.1
123.11691	0.7
125.09620	2.5
127.07566	1.3
128.06229	3.1
129.07010	25.0
129.07924	1.5
129.29291	0.8
131.08572	10.5
133.06493	4.8
133.10121	9.5
135.11717	2.4
137.09621	2.3
141.06972	1.1
142.07764	3.2
143.08540	7.5
145.06537	1.8
145.10120	9.3
145.16791	0.8
147.08037	4.5
147.11691	27.9
149.02347	1.1
149.09601	5.0
155.08549	2.1
157.06497	1.3
157.10136	9.0
159.08067	1.5
159.11723	1.7
161.09639	3.8
161.13286	8.3
163.11156	1.9
164.88081	0.7
165.12805	1.3
167.08510	1.2
169.10193	1.5
171.08102	1.6
171.11682	17.9
173.13306	1.3
175.11201	7.1
177.12724	0.7
181.10132	0.9
185.13205	1.1
189.11194	0.7
189.12712	7.6
193.12242	25.6
201.16345	1.0
205.12267	1.0
207.13809	21.4
225.14935	3.1
229.15948	1.1
231.13869	0.9
249.14893	4.4
263.16272	0.8
267.15970	1.7
281.17709	1.3
343.88544	0.8
353.24982	0.9
363.23264	1.3
381.24390	3.5
399.25259	2.0
403.24753	1.3
417.26706	0.9
455.27893	2.2
455.35193	0.7
473.29001	100.0
474.29425	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.202
Annotation	Unknow
Peak:m/z	Relative Intensity
51.90680	0.4
53.03952	3.0
55.01880	2.6
55.05521	4.8
57.03424	1.1
57.42467	0.5
61.02919	1.1
65.03931	1.0
67.05187	0.6
67.05509	8.9
68.99786	0.8
69.03143	0.5
69.03442	6.0
69.03784	1.1
69.39944	1.7
69.40364	2.3
69.73945	0.5
71.04986	5.0
73.02918	1.1
79.05505	1.5
81.03414	8.2
81.07056	2.8
83.04972	2.3
83.08615	0.6
85.02910	13.5
87.00841	5.4
91.05476	3.1
93.07040	1.4
95.04967	4.6
95.08615	5.1
97.02896	5.7
97.06543	0.6
98.20819	1.1
99.04451	3.0
100.11243	2.6
105.01869	4.1
105.07000	0.8
107.04961	0.6
107.08588	1.8
109.02892	6.8
109.05798	1.0
109.06520	12.9
109.10155	9.8
111.04365	0.5
117.01816	0.6
117.07055	0.6
119.06076	0.7
119.08605	3.5
122.07290	1.6
123.04452	1.7
123.08072	20.4
127.03921	12.1
129.01888	0.8
135.04485	0.7
135.08072	1.6
137.09619	100.0
145.04971	5.1
147.04431	0.9
147.08025	1.0
151.07536	8.5
155.10648	1.6
159.02927	3.9
163.03912	1.0
164.04300	0.7
165.12759	1.9
166.01746	0.7
177.26848	0.5
184.02834	0.6
189.12732	1.0
191.03401	4.1
192.03746	1.1
207.13805	25.6
225.14862	17.3
228.63976	0.8
231.04948	2.6
237.64526	1.2
246.14847	0.5
246.64969	0.7
264.13956	0.6
287.18970	0.6
301.07059	1.1
302.07465	0.9
304.59818	0.6
341.72549	0.8
350.72995	0.5
367.42828	0.6
445.80228	1.9
454.80826	4.7
455.30923	1.5
463.81314	8.8
464.31671	1.8
472.32004	0.9
472.81873	66.8
473.14270	2.4
473.32013	25.4
473.82098	1.4
491.06497	0.7
491.30557	0.5
492.06778	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.1424
Annotation	Erlangerin D
Peak:m/z	Relative Intensity
55.05508	0.6
56.05046	0.6
56.96567	0.7
57.81845	0.4
58.15295	0.4
58.46783	0.4
59.04976	0.7
60.04515	0.4
66.93176	0.4
67.05498	0.4
69.03423	1.0
69.07069	0.6
70.06593	3.0
71.52255	0.6
72.08177	2.7
81.03440	0.6
81.07059	1.0
84.08138	1.8
85.02898	1.9
85.68378	0.4
85.82970	0.4
86.09707	4.7
89.03889	0.6
91.05475	1.4
92.74619	0.5
93.07053	0.6
95.04986	0.8
95.08595	0.6
95.93636	0.4
97.02884	1.5
97.06524	1.1
102.05528	0.5
105.01842	0.7
105.07024	1.3
105.83070	0.5
107.08620	1.0
109.02881	1.3
109.06483	0.6
109.10195	1.0
110.07178	0.8
119.04946	0.5
119.08624	1.3
121.10168	1.2
123.08080	1.4
127.03924	1.2
131.08589	1.0
133.06487	0.5
135.04457	1.1
137.09607	1.4
139.03871	0.6
139.11127	0.6
145.02742	0.5
145.04916	0.6
145.06538	0.5
147.04428	1.3
149.09618	1.5
151.03891	1.2
151.07600	0.7
159.02859	0.4
161.13257	0.8
163.03900	4.1
164.04234	0.8
169.06548	0.5
173.13358	0.5
173.15862	0.4
175.52011	0.4
177.05466	0.6
184.01331	0.7
185.16541	0.5
189.12752	2.1
197.04309	0.9
207.10181	0.6
207.13809	5.6
215.05258	0.6
219.04311	0.5
219.10237	0.9
225.14836	2.3
243.13516	0.5
281.07986	0.7
299.08868	5.7
311.16492	0.8
327.26465	0.7
362.73938	0.5
411.14456	0.9
411.23444	2.1
427.13669	6.8
429.21216	0.7
455.13187	13.2
473.14240	100.0
473.20898	9.0
474.14453	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	472.1817
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02369	1.4
53.03949	10.7
55.01867	10.6
55.05507	2.3
56.96571	1.8
57.03439	8.8
57.90641	1.0
61.02931	7.2
67.05499	4.0
68.99796	2.4
69.03432	30.5
69.07066	2.5
69.37543	5.1
69.37958	2.1
70.04073	4.7
71.01363	1.1
71.04995	4.1
73.02926	10.7
75.04919	1.0
78.56025	1.0
79.05498	4.1
81.03421	30.8
81.07055	3.5
83.04983	2.4
83.47107	1.0
84.23214	1.0
85.02910	100.0
85.06541	5.6
87.00310	2.2
87.00834	38.2
87.52738	1.0
91.03960	4.2
91.05468	3.3
93.07042	3.7
95.04975	2.6
95.08585	1.3
97.02896	59.3
97.06538	6.2
98.21461	1.9
98.97594	3.7
99.04456	17.5
105.01868	58.2
105.03386	22.6
105.07036	3.4
106.07285	0.9
106.55593	1.0
106.71888	1.0
107.08566	1.5
109.02132	2.0
109.02886	37.8
109.06522	1.9
109.10191	1.8
110.10545	1.0
111.04490	1.3
112.84708	1.0
115.03934	1.7
115.07585	2.0
117.01859	4.1
119.08585	2.5
121.06519	1.8
121.10155	1.3
123.04434	7.2
123.08115	1.1
127.03921	88.0
129.01819	4.3
133.10088	1.2
145.04961	58.6
147.02930	2.9
159.02884	25.5
163.03964	3.1
165.09099	2.2
173.13188	1.1
177.00687	1.0
177.04007	1.8
189.04004	2.1
189.09067	4.5
193.08612	1.4
211.09709	2.1
213.03946	5.0
229.07460	1.3
231.05014	29.5
231.07249	2.0
249.06062	7.6
259.09677	2.8
315.10660	2.6
324.61700	1.1
352.56201	1.1
383.53375	1.2
472.08160	1.3
472.16299	2.0
472.22354	16.9
473.14218	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	471.3471
Annotation	11-Keto-beta-boswellic acid
Peak:m/z	Relative Intensity
52.14450	2.3
55.01858	2.5
55.05508	12.4
55.18949	2.6
56.96549	5.3
57.03431	2.6
61.02923	3.6
67.05501	24.9
68.85152	2.4
69.03405	7.1
69.07074	15.8
79.05496	30.9
81.03410	3.2
81.07060	53.2
83.04977	3.8
83.08643	11.8
85.02892	6.0
85.06538	3.4
91.05479	35.4
93.07047	55.2
95.04980	6.6
95.08611	58.0
97.02888	6.7
97.06525	4.9
98.97576	5.8
99.08101	18.0
105.07036	78.7
107.04964	4.3
107.08598	64.8
109.02887	3.7
109.06503	9.0
109.10158	37.3
110.10489	2.9
110.97619	2.4
111.08089	29.5
117.07020	10.8
119.08588	85.7
121.06499	4.6
121.10152	49.5
123.08043	3.7
123.11690	7.6
125.09607	5.8
127.03916	3.2
129.06999	4.6
130.07782	4.4
131.08577	53.5
133.10133	59.8
135.08047	5.4
135.11665	25.5
139.03889	3.7
142.07690	2.6
143.08565	11.0
144.09354	3.4
145.10136	60.0
145.11275	3.2
147.07927	2.7
147.11696	94.0
149.09625	6.4
149.13252	43.3
151.11179	2.9
155.08562	5.5
157.10121	17.9
159.11703	49.7
161.09673	3.7
161.13251	36.2
163.11168	5.7
163.14818	16.8
169.10121	4.6
171.11708	11.2
172.12393	3.8
173.06003	3.4
173.13264	26.7
175.14801	29.7
177.12817	3.1
177.16396	35.7
179.14275	2.9
183.11703	5.6
185.13242	9.7
187.14841	56.7
189.16377	58.6
191.14310	3.3
191.17944	4.6
193.15901	2.9
197.13228	5.3
199.14830	9.8
201.16388	100.0
203.14328	7.0
203.17935	13.1
205.15895	58.5
207.17427	30.9
213.11916	2.7
213.16370	11.7
215.17938	12.9
217.15883	6.1
217.19450	3.5
219.17520	21.5
223.14818	3.5
224.68280	3.3
225.16362	5.9
227.17999	6.6
229.07518	5.0
231.17390	4.2
233.19110	4.0
239.18011	3.0
247.16884	4.5
253.19557	4.8
284.08627	3.3
296.60291	3.1
332.61478	3.3
347.27405	2.5
349.28851	4.6
353.28394	6.1
367.30118	14.7
389.31912	6.6
395.29245	5.4
403.01968	3.4
407.33118	47.5
413.30438	8.4
425.34204	38.1
435.32474	9.3
453.33948	29.3
471.35580	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	471.3474
Annotation	Lantic acid
Peak:m/z	Relative Intensity
53.03936	0.4
55.05513	1.8
57.07062	1.2
59.05000	0.7
67.05507	3.0
69.03418	0.6
69.07072	3.5
71.08634	1.4
71.22046	0.3
71.22441	0.5
79.05491	2.1
81.07065	4.8
83.04984	2.7
83.08617	1.5
84.14648	0.3
85.06541	0.7
85.10172	1.0
89.06038	1.5
91.05483	2.4
93.07040	5.6
95.04974	1.3
95.08608	9.9
96.33251	0.3
97.06525	1.2
97.10178	0.5
105.07029	7.3
107.04935	0.3
107.08597	8.9
109.06524	0.7
109.10163	5.4
111.08095	0.8
117.07031	1.0
119.08583	10.0
119.77577	0.2
121.06512	0.8
121.09331	0.5
121.10146	6.5
123.08063	0.8
123.11700	3.5
125.09666	0.6
129.06990	0.6
131.08543	1.7
133.08615	0.8
133.10139	5.5
135.08116	1.3
135.11690	6.6
137.09619	0.8
137.13251	1.1
139.11188	0.6
141.07004	0.5
143.08574	1.5
145.06483	0.4
145.10127	3.3
147.08043	1.1
147.11700	4.1
149.09613	1.2
149.13239	2.2
151.07562	0.8
151.11215	0.6
151.14830	0.3
153.09120	0.9
155.08546	1.2
157.10146	2.4
159.11696	2.5
161.09605	2.8
161.13289	2.7
163.07582	0.3
163.11217	0.6
163.14806	1.5
165.09097	0.7
165.12834	0.3
169.10135	1.0
171.11661	1.5
173.09656	0.5
173.13286	3.3
175.11249	1.5
175.14822	7.2
175.16278	0.5
177.11234	0.7
177.12689	0.4
177.16422	2.0
179.14336	0.8
183.11707	1.7
184.12485	0.4
185.13263	1.3
187.11188	0.7
187.14812	2.3
189.12793	1.1
189.16380	12.4
191.14319	0.4
191.17934	1.5
193.15813	0.4
197.13257	2.3
199.14842	3.3
201.12720	0.8
201.16359	1.5
203.14345	0.8
203.17981	0.7
205.15891	0.5
207.17410	1.5
211.14810	1.2
213.16434	1.2
215.14359	1.7
215.17943	1.1
217.15877	6.1
221.15450	0.4
227.17926	1.3
229.07561	0.4
229.15869	0.7
229.19482	0.8
231.17433	0.8
233.19090	0.4
235.16962	5.8
239.17993	0.6
241.19537	0.5
243.21138	1.2
245.19106	0.8
253.19522	2.3
257.07013	0.3
257.19028	0.8
259.20667	0.4
261.14981	0.3
261.22260	0.3
263.16461	0.5
264.84631	0.3
267.21109	0.8
271.20557	4.7
273.18744	0.3
273.22165	0.3
275.16498	0.3
275.20096	0.4
285.22144	0.5
295.70963	0.3
299.20029	0.6
301.21585	0.3
303.19608	0.4
317.21182	1.4
348.56558	0.3
389.31995	0.6
407.33197	2.0
425.34149	8.6
435.32608	0.8
453.33609	1.2
471.34720	100.0
472.35147	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.3471
Annotation	18alpha-GLYCYRRHETINIC ACID
Peak:m/z	Relative Intensity
53.03936	3.4
55.05496	9.5
67.05505	32.8
69.07070	21.9
70.96118	6.4
76.73777	2.7
79.05494	27.8
81.07059	64.9
83.08596	9.8
91.05463	25.9
93.07045	51.2
95.04951	10.3
95.08611	83.6
97.06532	4.2
99.99039	3.0
105.07032	69.4
107.08597	66.9
109.06501	6.0
109.10155	37.8
111.08066	10.8
117.07006	9.0
119.08583	86.4
121.10146	41.4
123.08037	4.8
123.11707	16.4
125.09668	5.4
127.07514	17.4
129.07008	5.2
131.08589	37.3
133.10133	55.2
135.11676	29.1
137.13187	3.0
142.07903	3.3
143.08493	14.5
144.09204	3.2
145.10124	49.1
147.11691	37.6
149.13280	35.6
150.96375	2.5
153.09081	3.0
155.08589	4.5
155.10620	2.8
157.10109	19.7
159.11690	45.3
161.13264	33.6
163.11105	4.4
163.14822	52.6
163.65091	2.9
169.10194	3.9
170.10988	3.1
171.11667	14.8
173.13264	27.6
175.14809	40.0
177.16374	31.9
183.11652	5.0
185.13257	13.1
187.14810	46.1
189.16386	100.0
191.17937	13.2
199.14821	28.8
201.16397	65.0
203.17952	42.1
205.15862	12.2
207.13751	3.2
207.17329	4.2
211.14798	4.5
213.16400	17.2
215.18019	16.0
217.15839	15.2
219.17430	12.9
221.15355	5.5
225.16275	4.3
227.17934	8.2
229.15977	3.8
229.19489	7.0
231.17343	7.0
235.16911	18.9
239.17963	4.2
241.19518	6.2
243.21207	4.6
247.16995	15.5
249.18539	4.4
261.18396	6.0
265.19128	4.4
283.24063	5.1
309.25925	3.4
310.81772	3.9
325.21802	3.2
327.23215	3.7
329.24783	3.4
351.30341	4.6
389.32224	14.7
397.30878	9.9
401.15802	4.1
407.33173	34.0
423.32617	8.4
425.34030	28.8
435.32645	31.6
453.22894	4.0
453.33774	24.0
471.35104	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	471.3471
Annotation	Glycyrrhetinate
Peak:m/z	Relative Intensity
53.03931	4.4
55.05505	10.8
57.07060	4.0
67.05506	21.7
68.41645	3.7
69.07072	22.4
70.76283	10.6
79.05482	20.6
81.07045	46.4
83.08604	12.3
91.05473	18.4
93.07065	39.1
95.04963	4.8
95.08604	66.7
97.10132	6.4
105.07026	53.8
107.08591	55.8
109.06513	6.4
109.10164	34.4
111.08103	11.8
117.06989	7.4
119.08584	100.0
119.09377	8.9
121.10163	51.6
123.08038	10.7
123.11718	15.5
125.09625	7.9
129.07071	4.8
131.08542	29.8
133.10139	82.9
135.11664	20.7
142.07779	4.6
143.08562	13.7
144.09489	4.0
145.10136	55.9
147.11688	41.6
149.13283	25.5
156.09288	5.7
157.10132	31.3
159.11697	50.7
161.09601	4.9
161.13264	35.4
163.14841	19.1
171.11702	17.5
173.13271	36.5
175.14853	38.3
176.96426	3.7
177.16414	27.7
183.11714	5.1
184.12477	6.4
185.13249	14.9
187.14833	63.8
189.16377	95.5
191.17947	20.3
199.14853	38.1
201.16379	54.1
203.17949	69.3
205.15903	15.6
205.19554	5.3
207.17413	7.5
213.16452	25.2
215.17932	20.7
217.15907	42.1
217.19394	4.8
219.17474	17.3
223.16937	8.0
226.22194	4.4
227.17915	11.5
229.15779	5.1
229.19499	9.9
231.17461	10.9
235.16948	20.4
247.16940	11.1
249.18544	18.8
253.19539	6.3
261.18488	6.7
299.20001	4.1
301.21460	5.5
349.28860	8.8
377.32092	6.3
389.31989	10.7
395.29071	6.2
395.33572	6.5
407.32999	46.1
409.34650	5.8
410.11774	4.8
423.32538	16.2
425.34140	35.5
435.32672	41.3
453.27740	6.9
453.33682	64.4
454.34436	5.5
456.85931	3.9
471.35019	32.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.3471
Annotation	Glycyrrhetinate
Peak:m/z	Relative Intensity
55.05517	16.5
57.50716	2.4
61.02930	2.5
61.62531	2.3
65.38130	2.6
67.05511	25.6
69.07071	21.5
69.48112	16.1
71.05002	2.6
79.05488	21.1
81.07059	51.7
83.04973	3.6
83.08614	10.9
85.06468	2.6
91.05482	27.5
93.07040	44.9
95.04960	6.7
95.08608	95.5
97.06519	5.4
97.10170	7.3
98.20850	4.7
98.97591	3.1
105.06313	3.3
105.07029	65.7
107.08595	94.1
109.06514	7.0
109.10155	48.4
111.08080	10.9
117.06999	10.0
119.08582	100.0
121.10140	55.7
123.08085	6.8
123.11704	18.7
125.09641	8.3
128.06180	3.0
129.07014	5.5
131.08571	36.9
133.10130	71.7
135.08075	4.4
135.11699	36.4
136.93127	4.6
137.09589	6.0
137.13216	4.2
142.07820	3.2
143.08527	13.9
144.09282	3.3
145.09056	5.0
145.10129	66.1
147.11681	47.4
149.09644	5.8
149.13261	20.9
151.11177	3.0
153.09082	5.2
154.94186	3.4
157.10124	33.6
159.11710	57.4
161.09697	4.5
161.13264	40.1
163.07666	2.9
163.11180	4.9
163.14816	17.8
165.12720	4.3
167.10645	4.0
169.10155	5.8
170.10881	3.4
171.11732	20.1
172.12448	3.0
172.95242	7.6
173.13272	41.2
175.11343	3.1
175.14835	35.3
177.09111	5.5
177.12778	9.7
177.16391	24.2
179.10617	3.7
181.12216	6.3
183.11736	7.4
185.13199	15.4
187.14845	56.9
189.16377	59.6
191.14343	6.7
191.17987	19.9
193.15884	9.1
197.13301	4.0
199.14822	24.6
201.16385	47.1
203.14384	4.6
203.17949	48.1
205.15877	18.9
205.19594	5.5
207.17424	4.9
210.96815	2.6
211.14905	3.6
213.16422	16.7
215.14317	3.1
215.17941	34.2
217.15855	18.6
217.19502	7.3
219.17393	17.7
221.15401	4.1
223.16948	6.3
225.16284	2.6
227.17888	6.6
228.97885	4.5
229.15823	3.1
229.19504	8.4
231.17436	9.6
233.18898	3.5
235.16933	24.3
237.18483	2.7
241.19533	10.0
243.17563	2.7
243.21037	3.9
245.19197	3.3
247.16937	17.3
249.18570	17.3
253.19476	5.8
255.21042	8.1
257.22696	3.4
259.20572	2.9
261.18503	30.6
265.19424	2.6
269.22598	3.5
273.70303	2.4
275.20078	4.7
281.22552	2.9
283.24219	4.0
289.21677	3.9
293.22577	3.6
301.21695	7.9
311.23874	4.4
315.23184	2.8
317.17960	3.8
327.23007	2.8
329.24908	4.5
341.24908	2.8
349.28830	6.4
377.32178	5.2
386.57367	2.9
389.32028	9.3
395.28885	14.3
395.33813	5.0
405.31577	3.1
407.33093	44.1
423.32507	21.2
425.34213	46.6
435.32617	45.1
453.16998	5.1
453.33664	66.4
471.18237	12.3
471.34872	44.1
471.41394	4.1
471.44092	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	471.3473
Annotation	11-Keto-beta-boswellic acid
Peak:m/z	Relative Intensity
50.15464	3.4
55.05512	13.0
67.05504	18.2
69.07076	13.2
70.02325	6.4
79.05499	22.5
81.07063	46.6
83.08637	7.4
91.05486	25.1
93.07041	56.6
95.04943	3.7
95.08608	55.8
97.65289	4.2
99.08072	20.3
105.07033	76.3
107.08594	75.7
109.10161	28.8
111.08098	23.0
117.07045	9.9
119.08585	99.1
121.10145	47.4
123.08093	6.1
123.11700	8.0
125.09616	4.0
127.59779	3.5
129.07010	3.9
131.08577	50.0
133.10147	51.0
135.08116	4.6
135.11703	32.0
136.37706	3.0
137.13387	3.3
143.08598	7.9
145.10121	61.7
147.11694	100.0
149.13268	90.5
149.14169	2.2
157.10132	13.1
159.11699	50.8
161.09723	4.5
161.13264	44.2
163.14812	11.9
171.11705	9.6
173.13261	39.1
175.14842	26.7
177.16399	27.6
179.14281	8.0
183.11758	6.1
185.13278	19.7
187.14819	61.0
189.16376	30.0
191.17986	8.0
199.14838	15.2
201.16406	77.5
203.14337	11.3
203.17969	10.8
205.15895	39.7
207.17456	13.6
211.14963	4.5
213.16351	12.8
215.17987	12.2
217.15884	5.2
217.19507	5.6
219.17462	23.6
227.17926	6.4
233.19196	4.6
239.18001	5.1
241.19551	4.4
245.19240	3.8
247.16971	3.9
249.14865	7.9
267.21103	6.5
277.77585	3.4
279.21191	4.6
325.25012	3.6
347.07138	3.4
349.28851	10.9
367.29962	49.6
389.32169	5.7
395.29449	10.9
397.34735	5.5
407.28470	4.5
407.33182	38.8
413.30746	19.6
425.34158	56.9
435.32693	17.0
441.33832	4.2
453.33627	36.0
471.34860	32.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.3472
Annotation	11-Keto-beta-boswellic acid
Peak:m/z	Relative Intensity
52.59620	2.2
53.03941	3.2
55.05505	15.9
56.96573	2.3
57.03438	2.1
57.07064	5.9
59.55661	2.1
67.05513	36.3
69.06729	3.1
69.07072	33.1
69.26539	6.7
69.26961	11.9
71.04996	2.5
71.08617	3.3
73.02912	2.0
79.05486	24.6
81.07057	65.9
83.08609	12.9
85.06541	3.0
91.05481	22.8
93.07047	49.4
93.54129	2.1
95.08610	76.2
97.06532	3.9
97.10175	8.4
105.07035	54.8
105.07693	4.5
107.08598	80.2
109.06513	4.7
109.10164	100.0
110.10529	2.9
111.08096	7.0
117.07059	3.3
119.08584	64.4
121.06561	3.5
121.10143	75.1
123.08020	3.3
123.11708	23.9
125.09645	2.8
129.07034	2.8
131.08598	16.4
133.10138	85.3
135.08086	4.4
135.11705	34.1
137.09613	4.3
137.13260	7.9
139.07555	5.9
142.07803	3.2
143.08554	5.6
145.10129	33.8
147.08144	2.3
147.11699	51.5
149.13261	28.1
151.14854	3.3
153.09172	5.3
156.09398	2.5
157.10118	16.0
158.10915	3.0
159.11697	33.4
161.09628	3.9
161.13266	60.0
163.14825	10.4
165.09108	3.2
167.10670	3.5
169.10225	4.3
171.11656	13.1
173.13252	20.6
175.11333	2.8
175.14871	18.5
177.09142	2.1
177.12695	2.1
177.16408	6.8
179.10667	12.6
181.12286	4.8
183.11729	6.1
185.13232	10.9
187.14813	17.4
189.16432	18.0
191.18024	12.7
195.11877	3.1
195.13731	4.3
197.13292	4.8
198.14131	3.2
199.14749	10.9
201.16383	26.3
203.14407	4.5
203.17943	73.1
203.19751	4.6
205.12326	2.7
205.15863	3.5
205.19514	16.1
207.13844	8.9
209.15436	3.8
211.14969	3.1
213.16423	8.2
215.18030	13.0
217.19514	34.0
219.17369	2.8
221.15393	8.3
223.16882	2.8
227.17979	2.8
229.19562	7.0
233.15405	6.7
235.17064	4.8
241.19576	3.3
245.15434	8.7
245.22702	5.1
247.17039	6.0
253.19580	2.5
257.22867	2.4
259.16843	5.3
273.18417	3.4
285.25879	3.9
287.16443	2.4
301.21573	2.9
305.17487	5.8
317.24661	3.7
319.19098	3.1
355.26364	2.4
365.32059	4.0
407.33145	6.4
411.32635	25.3
425.34164	27.2
435.32602	8.9
453.33643	26.7
471.34796	83.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.3471
Annotation	Lantanolic acid
Peak:m/z	Relative Intensity
50.02731	1.7
50.97134	1.6
53.03947	3.0
55.05526	10.4
56.96548	1.8
57.07066	4.3
61.02941	2.1
66.49585	1.6
67.05506	34.3
69.07074	21.4
69.22828	5.7
69.23254	9.6
71.04952	2.1
71.08625	1.8
73.81605	1.6
75.50615	1.5
79.05497	21.2
79.92491	1.5
81.07061	55.0
83.04995	1.8
83.08617	8.7
90.39407	1.4
91.05482	25.0
93.07046	47.6
95.04989	1.7
95.08611	78.4
97.10186	5.3
98.20803	3.5
100.66283	1.6
105.07034	56.5
107.07874	3.9
107.08599	73.9
109.06515	3.8
109.10162	100.0
111.08132	2.4
111.11717	3.0
117.07047	4.8
119.08589	59.7
121.06493	1.9
121.10152	85.0
123.08073	2.8
123.11705	16.5
129.07010	2.1
131.08588	9.8
133.10136	98.6
135.08084	2.0
135.11694	36.5
137.09605	2.6
137.13284	6.7
139.07584	5.0
140.37880	1.7
143.08571	4.7
145.10117	16.7
147.11691	47.1
149.09688	2.9
149.13246	17.8
153.09120	4.5
157.10130	5.8
159.11710	17.8
161.09683	2.5
161.13257	71.1
163.11234	2.2
163.14810	7.6
165.09122	5.7
167.10669	4.3
171.11696	5.6
173.13252	9.7
175.14838	20.3
177.16399	6.4
179.10638	14.8
181.12253	9.4
185.13274	4.0
187.14848	10.9
189.12808	1.7
189.16393	29.3
191.10841	2.0
191.14363	1.8
191.17978	16.3
193.12262	3.2
195.13745	2.1
197.13429	2.1
199.14848	7.3
201.16389	22.0
203.17961	91.8
203.69360	2.0
205.12268	3.9
205.15952	2.0
205.19508	20.9
207.13809	13.1
209.15393	3.9
211.14827	1.9
213.16463	4.4
215.17943	15.2
217.12286	1.8
217.16139	2.3
217.19507	37.8
219.13878	2.2
221.15369	16.3
223.16896	1.9
227.17952	2.0
229.15845	1.7
229.19513	3.6
231.21068	1.6
233.15356	2.8
235.16988	5.3
241.19489	2.2
243.21251	4.7
245.22720	5.3
247.16995	4.0
249.14854	2.8
253.19649	2.1
275.20181	2.6
293.17679	1.6
315.23303	3.6
317.24622	2.2
327.23398	1.7
329.24628	1.7
343.22809	3.3
345.24277	2.5
361.23706	3.0
365.32077	5.2
383.29419	1.9
407.33136	3.0
411.32419	13.5
425.34207	27.9
435.32651	5.6
453.33633	26.7
471.34744	75.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.2205
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	0.6
55.05512	0.8
56.96558	1.8
61.02913	0.8
67.05481	2.3
69.03417	1.4
69.07063	1.9
69.49668	1.3
69.50088	2.6
70.23237	0.6
71.04971	0.6
73.02937	0.6
79.05470	1.5
81.03421	1.5
81.07058	2.8
83.04955	0.8
83.08619	0.6
84.08153	0.5
85.02899	2.0
89.03933	0.5
91.03947	0.6
91.05474	1.7
93.07047	2.2
95.04975	1.0
95.08627	2.6
97.02888	3.1
97.06528	3.9
99.56134	0.6
105.03383	0.8
105.07023	1.9
107.08579	1.7
109.10152	2.0
110.97581	0.5
117.03366	2.3
117.06982	0.6
119.08620	2.5
121.10126	1.4
123.04437	1.9
127.03896	0.5
131.08597	1.0
133.10107	1.2
135.11688	1.0
135.19630	0.5
137.09663	0.7
139.03894	1.2
145.02861	3.4
145.10107	1.1
146.22043	0.6
147.11710	0.9
149.05908	0.7
159.11728	1.0
161.02434	0.8
163.03893	2.8
164.04219	1.0
165.09116	1.5
173.02455	1.2
173.13235	0.8
174.02750	0.6
177.05475	9.8
183.11653	0.5
187.14726	0.9
189.09276	0.6
189.16495	0.7
191.03419	0.6
201.03683	1.1
201.16324	0.9
203.05193	1.0
203.17972	0.5
205.15906	0.7
215.07089	1.7
216.07414	0.7
217.07767	0.6
229.07520	0.9
247.08414	0.9
259.09604	1.8
260.09921	1.2
261.10492	1.2
262.11496	0.9
267.08914	1.0
275.07416	1.7
277.80988	0.5
278.10779	0.6
279.11310	1.3
291.08609	0.7
296.09998	0.9
315.10739	0.6
333.07922	47.4
335.09476	22.9
399.91885	0.7
401.16425	1.0
437.17270	0.7
453.18710	1.1
471.22006	100.0
472.22351	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.2203
Annotation	Leu Ser His Asp
Peak:m/z	Relative Intensity
53.03947	0.3
55.01859	0.5
55.05498	0.7
56.96560	1.0
57.03432	0.3
59.05001	0.8
61.02925	0.6
66.07484	0.3
67.05514	1.8
69.03419	1.3
69.07068	1.1
71.05000	0.4
71.52789	0.4
75.33434	0.3
79.05482	1.4
81.03423	1.3
81.07069	2.1
83.04981	0.7
83.08577	0.3
85.02917	1.6
85.06543	0.4
87.00844	0.5
89.03935	0.4
91.03944	0.4
91.05480	1.6
93.07046	2.1
95.04935	0.4
95.08614	2.1
97.02895	3.3
97.06529	2.2
97.10167	0.3
98.06864	0.3
98.97590	0.6
99.04459	0.5
105.07052	1.8
107.04935	0.4
107.08616	1.9
109.02881	0.5
109.06525	0.9
109.10166	2.0
117.03388	1.3
117.07031	0.5
119.08591	1.8
121.06554	0.5
121.10141	1.2
123.08068	0.4
123.11692	0.4
123.88877	0.3
125.09689	0.5
127.03937	0.4
131.08554	1.0
133.10123	1.2
135.04404	0.4
135.08022	0.6
135.11714	0.3
137.09631	0.5
139.03889	0.4
142.07846	0.3
143.08557	0.4
145.02859	2.7
145.04958	0.4
145.10130	0.8
147.11690	0.9
149.05923	0.5
149.09601	0.5
157.10147	0.7
158.99573	0.3
159.11679	0.9
161.09610	0.5
161.13239	0.4
163.03908	1.7
164.04268	0.4
165.09099	0.9
167.03479	0.7
169.10063	0.4
171.06761	0.4
171.11696	0.6
173.11703	0.4
173.13298	0.6
175.14767	0.3
177.05481	5.8
184.65329	0.3
185.13210	0.4
187.14853	0.3
191.03676	0.5
203.17796	0.4
205.05147	0.4
213.16446	0.4
215.07112	0.6
217.07509	0.4
222.07538	0.3
223.08026	0.5
223.13150	0.4
229.07410	0.5
231.13913	0.4
247.08659	0.5
259.09811	1.5
260.10016	0.9
261.10388	0.9
291.08694	0.8
296.10349	0.4
309.16730	2.4
311.10471	0.4
315.11011	0.6
324.11664	0.4
401.16370	1.3
401.66891	0.4
426.18625	0.3
433.20352	0.4
471.22034	100.0
472.22168	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.2205
Annotation	Unknow
Peak:m/z	Relative Intensity
51.23284	0.5
52.98542	0.5
55.05508	1.3
56.96555	1.4
57.03420	0.6
67.05501	1.9
69.03417	1.4
69.07049	1.3
70.71062	1.2
70.71407	0.7
71.04993	0.9
74.77802	0.5
79.05481	1.5
81.03419	0.8
81.07056	3.0
83.04962	0.8
83.29359	0.5
85.02890	1.6
86.88702	0.5
91.05456	1.6
93.07067	1.2
93.88317	0.5
95.04966	0.7
95.08591	1.7
97.02888	3.7
97.06550	3.9
105.07032	2.0
107.04906	0.5
107.08575	1.7
109.02840	0.5
109.10155	1.6
112.57941	0.5
117.03405	1.4
119.08580	1.8
121.10141	0.9
123.04492	0.8
127.03856	0.8
133.10144	1.3
135.11697	0.8
139.03886	0.9
143.08629	0.9
145.02835	4.2
145.10077	0.9
147.04440	0.6
147.11726	0.8
149.06023	0.6
155.03145	0.6
159.11684	1.1
163.03877	2.1
164.04286	0.9
165.09123	1.9
173.02325	1.3
177.05487	8.1
187.14919	0.6
189.09081	0.6
189.16360	0.8
191.03368	0.6
201.03624	1.4
201.16396	1.0
203.05316	1.3
203.14346	0.5
215.07039	1.3
216.07446	0.6
218.94531	0.5
229.07478	1.0
230.08006	0.5
245.06206	0.8
259.09625	1.9
260.10052	1.4
261.10352	1.7
262.11496	0.7
263.33975	0.5
275.07397	1.6
279.11423	0.9
285.10162	0.8
291.08743	0.7
324.11703	0.6
333.07913	43.1
335.09491	22.1
356.53299	0.5
387.41217	0.5
401.16919	0.6
453.19318	1.0
471.22018	100.0
472.22125	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	471.1258
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03704	0.4
53.03941	0.5
56.96558	0.5
57.03434	0.4
58.99577	1.8
61.02922	0.5
65.03952	3.1
67.05513	0.9
69.03435	0.8
69.07053	0.7
70.06593	2.3
71.52945	0.5
73.02889	0.4
74.00660	2.8
76.02234	1.8
76.11572	0.4
79.05497	0.6
81.03458	0.4
81.07056	0.5
83.04977	0.7
84.08132	0.5
85.02896	1.3
86.00673	0.7
86.09714	1.4
86.99055	0.8
88.03984	2.4
89.03929	0.8
91.05482	100.0
92.01729	0.6
92.05836	0.6
93.03399	1.4
94.06532	0.4
94.60163	0.4
95.04961	4.3
95.08555	0.6
96.83295	0.4
97.01125	0.5
97.02875	1.3
97.06505	0.9
98.97537	0.4
105.00095	1.2
105.03382	0.7
107.04958	1.0
107.08613	0.4
107.31445	0.4
108.08142	0.5
109.01110	1.3
111.04436	1.2
117.03298	0.4
120.01167	5.8
121.02872	3.1
122.02737	6.7
123.02655	0.6
123.04404	2.6
125.00595	1.0
132.01151	1.1
132.99535	0.7
135.02666	2.2
135.04430	1.6
137.00539	0.5
138.05484	0.8
139.03903	6.9
143.01685	0.4
145.02846	1.1
147.04356	1.0
150.03722	0.7
151.02138	0.6
153.00055	2.4
159.11716	0.5
163.03876	3.0
163.11340	0.4
165.05486	0.4
169.06369	0.7
170.02702	1.1
175.03839	0.4
177.05507	1.6
178.03229	0.9
179.01593	0.9
181.03410	0.5
181.04874	0.9
184.07262	0.5
187.07487	0.4
194.02716	1.0
195.04738	2.3
196.04314	1.9
197.02675	1.2
210.05772	1.2
212.07483	1.2
214.05296	0.9
215.07056	1.1
224.03839	0.7
225.02122	2.7
237.00836	0.4
240.03156	0.5
241.03998	0.9
242.04814	7.1
243.03046	0.8
257.07953	0.4
259.09616	0.6
260.05948	2.7
279.11230	0.4
291.89001	0.4
309.16696	1.8
315.07016	0.6
332.09494	8.6
346.03925	0.4
350.10596	5.6
363.06525	0.6
382.07825	1.3
383.95639	0.4
384.09302	0.6
385.18140	0.8
408.09537	2.0
426.10324	0.4
427.19360	1.3
453.11441	1.6
454.09506	1.8
471.12454	15.7
471.18420	3.2
471.22223	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	470.2092
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03962	2.8
55.05508	10.8
56.96564	25.0
57.03426	10.4
59.04996	5.1
61.02929	16.6
62.61222	2.7
67.05502	18.1
69.03423	11.6
69.07072	12.1
69.59824	16.1
70.07407	2.8
71.04996	6.6
73.02925	12.4
79.05499	13.1
81.03421	31.9
81.07058	21.6
82.07388	4.1
83.04982	7.8
83.08611	10.9
84.96046	4.1
85.02913	23.8
85.06554	4.5
87.04472	2.8
91.03982	12.8
91.05480	20.3
92.05811	2.8
93.07063	18.7
94.07389	3.7
95.04980	16.2
95.08604	19.6
96.08904	2.5
97.02903	20.3
97.06525	9.7
98.97588	16.8
99.04469	4.1
99.08093	3.7
101.02384	4.3
103.03940	3.6
105.07024	26.1
106.07359	5.6
107.08608	23.4
108.08941	6.5
109.02885	4.8
109.06493	3.8
109.10147	10.4
110.97566	5.5
112.99131	3.6
115.03880	3.4
116.98619	3.1
117.03429	2.6
117.07033	5.5
118.52823	2.9
119.08588	30.8
120.08885	7.2
121.06517	6.4
121.10143	17.3
122.10557	3.2
123.04418	3.2
123.11693	2.6
124.08397	2.8
125.09689	3.3
127.03922	5.2
128.98643	5.1
129.07005	6.7
131.00171	6.1
131.08574	13.9
132.08919	5.7
133.10136	22.3
134.10469	6.9
135.04399	4.6
135.11694	6.8
143.00146	4.1
143.08551	3.3
144.08920	3.3
145.02794	3.1
145.10121	17.2
146.10458	8.3
146.99654	2.8
147.03151	2.8
147.11679	16.7
148.12032	7.0
149.02397	3.9
149.09679	6.0
149.13303	4.4
151.03784	2.4
157.10165	11.5
158.10439	3.6
158.99655	6.0
159.11684	9.6
160.12056	8.5
161.01151	3.3
161.13295	5.6
162.13618	5.0
163.03951	20.0
163.11232	3.2
164.11467	2.3
166.09441	2.5
169.10219	2.6
170.99631	4.1
171.03262	2.4
171.11703	4.7
172.12088	3.2
173.13269	9.7
174.13593	4.6
175.11186	4.2
175.14841	6.7
176.15179	6.9
177.00713	2.6
177.05499	12.2
183.06616	3.6
183.11586	2.5
185.04866	10.5
185.13304	5.4
186.13802	2.6
187.14842	9.7
188.15121	8.3
189.00763	3.1
189.16386	4.8
193.12234	11.0
199.14899	6.0
200.15247	6.8
201.16373	3.6
202.16776	7.9
203.05962	6.3
203.14227	3.6
203.18069	3.3
205.04974	6.9
211.13226	4.1
212.15192	3.4
213.16362	3.8
214.16696	4.4
217.07402	3.3
217.85722	2.7
219.01884	4.8
222.07637	9.0
223.06453	4.8
235.13268	3.1
237.07814	4.5
243.08919	8.1
249.07997	16.2
254.01016	3.1
254.20055	3.8
255.09052	3.9
259.09872	13.7
260.10101	3.7
261.10291	3.8
267.09064	100.0
267.15762	14.7
268.09183	4.8
285.10120	91.7
286.10434	6.4
290.10562	6.8
299.11719	36.7
300.12109	2.9
301.14114	3.4
303.10858	3.5
308.11694	7.7
309.16959	7.3
315.10980	26.9
315.61057	5.7
317.12750	41.7
321.04974	3.0
324.11349	22.0
324.61636	5.9
331.12234	5.5
339.14874	3.7
340.12741	28.0
364.16425	10.1
375.18295	3.4
380.17722	4.7
389.18027	3.4
390.94421	3.0
406.31812	14.4
411.20557	3.5
420.17230	39.7
420.67084	5.4
424.32870	11.6
434.31329	6.4
436.18512	21.1
436.68527	3.9
445.19116	40.0
445.69263	8.8
449.29993	3.2
452.19894	3.7
452.32388	12.2
461.20255	21.9
470.20908	10.8
470.33768	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	469.3485
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	4.0
57.07075	100.0
58.04213	3.7
59.05003	19.2
67.05481	4.3
68.05835	1.2
69.07050	4.5
71.08631	82.7
72.05779	2.8
73.02914	2.9
73.06557	3.8
76.69140	1.3
79.30654	1.3
81.07044	3.7
82.07851	1.4
83.08602	2.9
85.10183	72.9
87.04461	6.4
89.06038	11.0
90.01916	21.3
92.68121	1.4
95.08585	1.6
96.03632	1.2
97.10162	1.9
98.21545	3.3
99.11726	13.4
101.09619	1.4
103.07570	5.7
109.10175	3.5
111.11715	1.4
113.13253	5.8
117.09112	4.0
117.22388	1.4
121.10157	1.4
133.08577	2.2
141.16327	2.6
143.49947	1.2
152.15610	4.4
155.17926	8.7
162.00349	1.2
178.07117	1.7
183.17404	3.4
188.46123	1.2
191.31648	1.4
199.20578	2.3
207.25613	1.5
212.21278	2.0
213.22112	14.1
222.09737	7.1
240.10756	7.2
257.24744	5.3
284.17911	1.7
319.25101	1.5
333.83020	1.7
452.32178	1.8
469.38165	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.3316
Annotation	Anhydrobelachinal
Peak:m/z	Relative Intensity
51.02378	2.5
53.03942	3.9
55.01876	4.2
55.05507	15.4
57.03427	3.8
57.07079	6.9
61.02929	4.5
65.03931	3.9
67.05498	25.7
69.03416	6.9
69.07075	17.3
69.09883	2.1
71.04996	2.8
71.18612	3.4
71.18958	2.8
79.05485	26.3
81.03412	8.6
81.07059	51.7
83.04973	7.2
83.08622	9.0
85.02905	12.2
85.06525	3.8
87.00863	3.4
91.03963	2.6
91.05482	47.6
91.97344	2.3
93.07047	49.9
95.04955	4.8
95.08612	60.0
97.02915	15.3
97.06540	14.0
97.10201	2.7
98.97581	2.8
99.04444	4.3
99.08092	6.1
105.01895	2.3
105.07033	78.4
107.08599	70.7
109.02871	3.3
109.06556	7.9
109.10162	34.8
111.08085	5.6
115.05445	3.2
117.07022	11.6
119.08576	100.0
121.06496	3.8
121.10149	48.4
123.04407	3.8
123.08102	6.1
123.11703	9.7
125.09658	7.4
127.03928	5.9
128.06219	5.5
129.07007	9.4
130.07834	2.7
131.08571	39.9
133.10126	67.2
135.08093	4.7
135.11687	24.4
137.05971	3.3
137.09607	4.2
141.06961	2.7
142.07822	5.8
143.08548	23.6
143.69714	2.2
144.09367	4.1
145.10127	60.8
147.11691	90.3
149.05931	3.6
149.09618	10.5
149.13258	16.8
151.03909	7.7
151.11189	2.6
155.08569	7.3
156.09314	4.5
157.10136	38.0
158.10886	6.9
159.11693	54.2
161.09669	3.6
161.13254	33.9
163.03926	10.9
163.07507	2.5
163.14830	13.0
164.04181	2.6
165.12769	3.9
167.08693	2.8
169.10109	13.7
170.10916	5.3
171.11664	26.5
173.02403	4.0
173.13277	33.0
175.11298	4.0
175.14821	37.0
177.12680	4.1
177.16434	11.0
179.14348	3.2
181.12263	5.1
183.11702	12.6
184.12492	3.4
185.13266	23.4
187.11252	4.4
187.14830	47.5
189.12807	2.7
189.16316	12.9
191.10727	4.1
191.14272	4.6
193.12160	4.5
193.15901	8.4
195.11693	5.5
197.13251	14.1
199.14842	30.0
201.16379	53.8
203.14594	5.8
203.17960	84.9
205.15897	16.2
207.11713	5.0
209.13293	5.0
211.14857	11.0
213.16386	32.1
215.10724	2.8
215.14362	5.4
215.17943	9.1
217.15869	13.1
219.13823	5.3
219.17438	11.3
221.15311	5.9
221.19034	3.7
223.14819	5.4
225.16357	8.5
227.17981	11.0
229.15932	4.1
231.17427	10.5
233.15384	5.0
237.16426	3.2
239.17917	10.2
241.19470	4.9
245.15479	6.3
247.16986	6.8
251.17996	6.2
253.19527	7.1
255.21152	3.6
259.09708	7.9
259.16986	10.4
260.10223	3.8
265.19498	4.8
267.09061	12.5
267.16171	3.0
273.18491	8.4
277.10760	2.9
285.10114	10.5
299.11688	5.4
299.20032	4.6
317.12625	6.7
324.11569	3.0
325.21667	3.2
347.27264	4.3
365.28131	5.1
387.30396	8.0
393.27823	7.9
393.95288	3.1
399.19028	2.7
405.31592	26.5
407.32977	3.9
411.28891	7.8
420.17404	5.4
421.31015	8.3
423.32697	47.9
425.34128	3.4
433.30865	15.7
439.32074	6.5
445.19058	4.2
451.32053	44.1
469.21237	3.4
469.27731	3.7
469.33356	63.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.3312
Annotation	Anhydrobelachinal
Peak:m/z	Relative Intensity
55.05515	26.6
57.07072	5.5
67.05506	33.5
69.03406	4.8
69.07056	21.7
70.02440	16.8
74.95338	4.5
76.89175	3.6
79.05489	25.5
81.07059	63.1
83.04959	7.3
83.08604	26.3
91.05488	33.0
93.07049	57.9
95.04987	11.1
95.08613	72.2
97.06527	11.8
99.08082	12.2
105.07034	72.9
107.08598	72.1
109.06519	7.6
109.10164	51.2
111.08064	7.1
117.07029	11.0
119.07805	7.1
119.08590	93.4
121.06503	5.8
121.10150	49.8
123.08076	3.8
123.11701	19.7
125.09611	9.2
129.07008	12.0
131.08578	53.2
133.10153	74.3
135.11740	24.3
137.09663	4.5
137.13269	7.6
142.07841	7.0
143.08568	30.8
144.09354	5.7
145.10123	60.6
147.11691	42.4
149.13264	17.1
151.03925	6.4
151.07739	4.9
155.08531	12.7
156.88062	3.7
157.10152	36.9
159.11690	44.8
161.09598	8.0
161.13240	56.7
161.82639	4.2
163.11130	5.6
163.14836	16.1
165.12798	5.1
167.08633	5.4
169.10144	22.1
171.11702	30.6
173.09700	4.4
173.13272	40.3
175.11295	6.7
175.14830	55.9
177.12730	4.9
177.16394	14.6
179.14461	8.6
181.10158	8.3
183.11728	19.6
185.13261	34.6
187.11090	4.9
187.14822	50.6
189.16484	25.0
191.14333	7.7
191.16246	4.1
191.17957	7.1
193.15898	16.0
195.11650	6.8
197.13268	18.8
199.14824	32.5
201.12711	4.3
201.16379	57.6
203.14354	15.7
203.17949	19.6
205.15884	22.0
207.11740	7.6
207.17461	5.0
209.13191	8.0
211.14854	14.9
213.16351	27.5
215.14342	9.4
215.17941	9.3
217.15927	16.9
219.17404	24.9
221.15347	9.4
223.14801	6.0
223.16824	5.8
225.16394	12.3
227.17987	7.0
229.15903	7.7
231.17470	35.7
233.18948	7.6
235.14836	7.4
237.16423	53.7
239.17960	18.8
241.19458	8.7
243.17387	7.2
245.15385	6.1
247.16940	13.9
249.14885	11.4
253.19621	14.0
259.16806	5.3
261.15060	7.1
263.16254	6.4
265.19461	5.2
271.16837	5.3
273.18564	6.7
279.21008	9.2
281.22693	4.6
283.16919	8.2
299.19910	10.1
325.21390	5.7
351.23334	6.1
363.91547	4.5
387.30374	13.2
405.31491	64.7
407.33337	11.1
421.30859	5.9
423.32645	34.9
425.34232	5.1
433.31210	40.3
451.32117	97.7
469.19662	5.1
469.33292	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	469.3314
Annotation	Anhydrobelachinal
Peak:m/z	Relative Intensity
53.48365	4.1
55.05515	26.3
57.03441	4.2
57.07077	8.4
67.05495	29.2
69.03426	7.5
69.07066	27.3
70.91672	9.8
71.04984	4.1
79.05497	25.8
81.07059	57.9
83.04990	5.8
83.08611	18.2
91.05477	37.1
93.07045	52.8
95.08613	68.8
97.02924	4.6
97.06557	22.2
105.07027	78.1
107.08597	75.5
109.06522	6.7
109.10152	41.6
111.08083	9.3
117.03389	5.0
117.07026	10.0
117.88808	4.6
119.07806	7.4
119.08584	100.0
121.06532	4.7
121.10141	49.8
123.08044	5.3
123.11700	15.1
125.09610	7.5
128.06242	6.1
129.07004	11.0
131.08582	47.0
133.10143	71.6
135.04425	8.4
135.08049	8.1
135.11674	26.7
137.09628	6.2
142.07739	6.4
143.08559	25.6
145.02747	4.9
145.10124	70.4
147.08134	5.8
147.11700	47.6
149.09659	9.4
149.13246	21.7
151.11226	8.9
155.08549	10.9
157.10106	37.3
159.11731	55.8
161.09625	4.3
161.13298	44.3
163.03905	34.4
163.11131	7.9
163.14841	20.7
164.04243	15.7
169.10080	21.0
171.11684	29.7
172.37599	4.3
173.13268	46.6
175.14822	46.7
177.12692	5.9
177.16371	13.5
179.14221	8.4
181.10103	7.3
183.11659	11.5
184.12421	4.2
185.13272	30.6
187.14847	33.6
189.16325	25.9
191.14305	11.5
193.15938	8.0
195.11703	5.3
197.13286	17.0
199.14792	29.8
201.16371	54.9
202.92043	4.6
203.14299	11.4
203.17973	25.9
205.15860	25.0
205.43692	5.7
207.17447	7.4
209.13327	5.7
211.14825	11.3
213.16365	36.4
215.14252	6.9
215.17958	17.4
217.15933	14.0
219.17474	18.1
221.18861	6.1
223.14864	8.7
225.16373	15.2
227.17928	11.9
229.19576	4.6
231.17487	23.0
233.15295	4.9
233.19031	5.4
237.16380	30.9
239.14214	4.6
239.18031	11.2
241.08662	10.5
241.19527	10.2
242.09006	12.1
245.15337	9.5
247.16951	12.3
249.14880	9.5
251.17926	8.0
253.19461	22.3
259.09665	17.8
259.16852	12.2
260.09976	17.8
273.18738	4.4
277.19427	6.0
279.20999	4.8
281.22604	8.2
292.74042	4.8
299.20020	12.1
347.27289	4.7
354.65259	5.0
387.30347	14.4
393.27789	11.9
404.83121	4.2
405.31564	56.4
407.33136	10.4
421.30896	7.2
423.32632	41.4
433.31079	36.7
439.32333	4.2
451.32144	61.7
469.33215	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	469.3314
Annotation	Anhydrobelachinal
Peak:m/z	Relative Intensity
55.05510	18.4
55.73898	3.9
57.07080	4.1
58.45424	3.1
63.75275	3.0
67.05486	17.0
69.07067	23.1
70.58720	3.6
70.91795	5.0
70.92130	6.1
71.43172	3.3
79.05476	17.4
81.07059	54.5
83.08630	22.3
91.05470	28.2
93.07041	47.9
95.08605	56.0
97.06512	5.5
97.10181	5.6
105.07026	60.5
107.08605	75.7
109.06519	3.9
109.10155	40.6
111.08096	11.2
115.05407	4.2
117.07027	10.6
117.29912	3.0
119.08591	100.0
121.10155	47.6
123.08102	5.4
123.11691	16.0
125.09650	3.9
128.06256	3.9
129.07010	8.5
131.08572	48.7
133.10139	67.6
135.11707	20.6
142.07808	5.0
143.08568	24.6
144.09276	3.5
145.10129	62.5
147.11696	52.1
149.09636	6.5
149.13275	23.3
153.09138	6.7
155.08607	5.9
156.09396	4.3
157.10110	34.8
158.10791	3.9
159.11699	48.2
161.13258	42.3
163.14847	23.2
165.12746	5.5
165.25316	3.5
169.10162	13.1
171.11743	24.0
173.13290	43.3
175.11258	5.3
175.14809	51.6
177.12740	3.3
177.16373	12.7
179.14349	8.4
181.10156	6.8
181.12102	4.7
183.11707	12.4
185.13257	27.7
187.14851	44.6
189.16423	22.7
189.17880	3.7
191.14279	6.4
191.17918	4.6
193.15964	10.2
195.11678	3.8
197.13301	15.0
199.14816	35.7
201.16377	66.5
203.14291	9.0
203.17943	21.9
205.15857	20.1
211.14845	8.5
213.16362	39.8
215.14391	4.8
215.17967	12.4
217.15869	13.5
219.17462	15.4
221.15352	5.7
223.14725	8.3
225.16394	13.4
227.17981	15.1
229.16031	3.8
229.19514	5.1
231.17378	17.6
233.15353	4.9
233.19041	3.9
235.14809	5.0
235.17000	4.1
237.16425	16.0
239.18015	17.9
241.19572	12.9
245.15501	7.2
247.16888	11.5
249.14822	11.3
251.17967	8.2
253.19536	22.0
255.21187	5.2
259.16928	16.6
267.21021	6.5
273.18500	5.9
277.19507	4.6
281.22479	4.6
285.18488	4.6
297.18530	5.5
299.20056	9.9
347.27402	5.4
369.24432	6.3
387.30368	9.1
393.27844	12.5
405.31555	44.5
407.33148	7.3
411.28839	6.9
421.30994	10.4
423.32642	51.2
433.31000	37.8
439.31802	7.5
451.32086	61.4
469.33221	87.9
475.61130	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.3315
Annotation	Anhydrobelachinal
Peak:m/z	Relative Intensity
52.76258	1.1
53.03944	1.9
55.05517	9.4
57.03430	1.6
57.07063	3.5
67.05509	15.7
69.03423	2.7
69.07067	10.6
70.96832	2.2
71.04987	1.7
79.05495	13.2
81.07057	34.0
83.04955	3.0
83.08620	6.5
91.05485	15.2
93.07040	30.1
95.04984	3.4
95.08610	35.2
97.06536	39.4
97.10159	2.5
99.29239	1.1
103.05462	1.3
105.06307	1.3
105.07032	32.7
107.08595	41.7
107.09310	2.5
109.06503	7.2
109.10156	31.0
111.08083	8.8
115.05459	1.2
117.07008	5.7
119.08583	43.8
121.06515	2.0
121.10143	34.4
123.08050	3.8
123.11720	7.3
125.05941	1.3
125.09618	6.2
128.06248	2.0
129.07018	3.7
130.07791	1.3
131.08578	18.8
132.37604	1.0
133.10138	38.7
135.08072	3.8
135.11693	13.1
137.09627	3.9
137.13266	2.5
139.07581	1.9
139.11131	1.7
142.07803	3.1
143.08556	9.2
144.09335	2.6
145.10132	32.2
147.08070	2.7
147.11696	20.9
149.09630	3.5
149.13223	9.4
149.90002	1.3
151.07565	1.9
153.00540	1.1
153.09126	2.2
155.08559	2.9
156.09390	3.3
157.10109	17.6
158.10857	2.9
159.11691	38.0
161.09610	3.8
161.13249	21.6
163.11192	2.7
163.14796	7.3
165.09178	1.9
167.10670	3.0
169.10139	3.7
171.11685	13.0
173.13260	22.8
173.14690	1.5
175.11211	3.6
175.14819	13.4
177.12804	1.6
177.16399	5.7
179.10678	4.0
181.10210	1.6
181.12332	1.4
183.11659	4.6
184.12518	1.7
185.13246	10.5
186.14140	1.3
187.11227	1.7
187.14832	15.0
189.12746	5.4
189.16386	23.6
191.10674	2.0
191.14359	6.7
195.11757	1.7
197.13255	5.4
198.14059	1.3
199.14812	16.5
201.12640	1.7
201.16383	50.4
203.14371	2.5
203.17955	11.0
205.12285	1.9
205.15977	3.4
207.13823	3.7
209.13254	2.0
211.14819	4.4
213.16362	10.3
215.14388	2.9
215.17944	17.1
217.15874	19.5
217.19455	2.3
219.17435	1.7
221.15408	2.8
223.14818	2.7
225.16370	2.2
227.17969	4.5
229.19554	4.4
231.13904	1.4
231.17360	1.5
233.15430	4.2
235.16927	29.6
239.17821	2.7
241.16156	1.2
241.19580	4.0
243.21152	1.8
245.15169	1.6
247.16925	17.6
253.19502	2.3
255.21140	1.7
259.17050	1.5
265.19550	1.7
267.21048	2.1
269.22794	1.8
273.18491	1.7
279.20764	1.2
283.24216	1.9
291.20956	1.4
299.20078	1.9
321.25827	2.0
323.27344	2.6
325.21451	1.6
327.23532	1.7
353.24933	1.8
363.30646	3.2
365.28186	1.2
387.30298	2.5
405.31595	8.7
409.31012	8.6
411.29272	1.4
413.27078	2.1
423.32553	18.3
433.31076	5.7
451.32092	27.4
459.13235	1.2
469.33167	100.0
470.33438	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.3314
Annotation	Anhydrobelachinal
Peak:m/z	Relative Intensity
53.03936	2.8
55.05510	13.5
57.07077	3.2
67.05170	2.3
67.05503	21.2
69.03447	2.2
69.07070	14.3
70.91962	3.8
79.05072	2.2
79.05493	22.4
81.06584	3.0
81.07058	48.1
83.08626	9.8
85.06516	3.1
91.05482	28.3
93.06475	3.3
93.07047	47.2
95.04971	2.9
95.08609	66.9
97.06516	4.7
97.10146	1.9
99.08086	8.4
105.07030	60.1
107.08595	75.3
107.54831	2.0
109.06520	7.5
109.10155	28.3
111.08064	7.1
117.07012	11.9
119.08585	100.0
121.10146	52.9
123.08063	5.3
123.11675	8.9
125.09636	6.7
128.06197	3.4
128.49753	1.6
129.06996	6.8
130.07825	1.7
131.08566	45.6
133.10132	61.8
135.08070	2.0
135.11690	25.9
137.09662	3.5
137.13260	4.0
141.25697	1.5
142.07785	7.0
143.08562	20.9
144.09329	3.8
145.10124	73.4
147.08090	1.5
147.11693	53.5
149.09587	12.4
149.13254	18.6
151.11205	5.9
151.14839	2.1
153.09073	4.1
155.08559	5.9
156.09373	4.0
157.10117	34.9
157.11325	2.5
158.10909	4.8
159.11700	62.8
161.09615	3.7
161.13266	38.2
163.07596	4.1
163.11172	4.4
163.14825	10.9
167.10860	1.8
169.10126	11.0
170.10947	6.0
171.11700	30.2
172.12450	3.0
173.13269	43.2
175.11226	2.5
175.14836	46.4
177.09138	2.0
177.12794	4.6
177.16374	12.2
179.14325	5.0
181.10132	4.5
181.12242	7.6
182.10939	3.1
183.11708	13.2
184.12489	2.6
185.13277	24.7
187.14821	51.9
189.08920	1.9
189.16342	13.8
191.10684	2.5
191.14346	7.6
193.15855	10.0
194.10941	1.8
195.11877	3.6
195.13753	2.5
196.12483	3.0
197.13249	15.9
198.14014	2.1
199.14809	39.6
201.12801	2.6
201.16385	57.7
201.18263	2.8
203.14354	4.6
203.17931	9.4
205.15871	25.8
207.17499	3.3
208.12502	1.7
209.13231	6.6
209.15146	1.6
211.14833	11.7
213.16391	36.9
215.14323	4.7
215.17973	12.3
217.15877	14.8
217.19336	2.0
219.13820	6.6
219.17442	10.3
221.13382	2.1
221.15372	4.7
223.14865	4.9
223.16933	3.5
225.16498	9.6
227.17940	14.6
229.15918	5.1
229.19576	4.6
231.17422	12.1
233.15379	6.4
233.19109	5.3
235.14856	2.9
235.17021	3.4
237.16402	5.0
239.17966	8.6
241.19589	8.9
243.17462	2.5
245.15416	6.9
245.19070	3.7
247.16992	10.7
249.14725	2.0
249.18622	2.4
251.17810	8.1
253.19514	8.0
255.21100	3.8
257.15695	2.0
257.19208	3.2
259.16898	24.0
259.19720	2.3
259.20630	2.6
265.19510	5.3
267.21143	3.9
271.16605	1.8
273.18607	9.9
277.19565	2.7
279.21066	3.6
281.22617	4.0
283.20599	4.4
285.18576	4.1
287.19998	1.9
289.21738	2.2
293.22751	3.1
297.18683	3.5
299.20129	8.7
299.23511	2.5
311.20010	2.2
347.27359	5.0
351.26834	3.2
365.28488	8.4
367.26151	2.1
375.30499	5.5
387.30618	7.4
389.32544	1.9
393.27582	12.3
393.32339	3.3
405.31543	48.0
407.33148	2.8
411.28729	9.4
421.30960	15.6
423.32605	62.8
425.34140	3.5
433.31091	25.0
439.31976	6.5
451.32104	59.5
469.33206	81.7
470.33029	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	469.2435
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	3.1
55.01872	5.7
55.05511	3.5
57.03431	2.7
59.04981	1.4
61.02919	1.5
67.05511	8.5
68.99789	3.0
69.03433	12.9
69.07070	15.2
71.04990	3.5
71.17066	1.6
73.02909	2.8
75.71690	0.7
79.05499	9.2
81.03419	10.2
81.07066	13.9
83.04977	3.3
83.08629	1.8
85.02382	1.2
85.02907	23.6
87.00829	8.5
87.04459	0.8
87.58369	0.7
89.03914	2.8
91.03916	1.0
91.05478	7.1
93.07055	10.3
95.04991	4.0
95.08611	13.4
97.02914	8.3
97.06534	45.0
97.10204	1.1
98.06857	2.1
99.04458	6.6
105.01878	7.5
105.03378	1.2
105.07029	12.9
107.04974	1.6
107.08591	12.4
109.02879	12.1
109.06509	1.6
109.10162	9.9
111.04407	1.5
111.08074	1.0
115.03938	2.5
117.01872	1.4
117.03387	4.4
117.07012	1.6
119.08594	11.2
121.06514	3.0
121.10137	7.1
122.06919	1.0
123.04432	2.2
123.08071	0.9
123.11683	2.7
125.09638	1.6
127.03928	20.7
128.06152	0.8
129.01871	1.5
129.06990	2.0
130.07877	0.9
131.08611	3.9
133.02885	1.8
133.10120	8.3
135.04440	6.5
135.08040	1.4
135.11694	4.8
137.05960	1.4
139.03906	1.9
141.07037	1.0
143.08569	2.0
145.02879	5.9
145.04951	7.6
145.10123	8.2
147.02866	1.3
147.11708	8.9
149.09618	1.8
149.13269	5.5
151.03915	4.4
151.07344	0.7
151.11119	1.2
157.06471	0.8
157.10114	2.8
159.02885	7.2
159.04396	2.6
159.08067	1.4
159.11723	4.5
161.02338	6.8
161.06007	1.2
161.09583	0.9
161.13240	4.1
162.02936	0.9
163.03911	41.8
163.11201	1.0
163.14803	7.6
164.04225	5.3
165.09143	0.8
165.12772	0.8
167.08565	1.0
169.10130	1.1
171.11665	2.6
173.02347	29.8
173.09674	1.2
173.13307	2.0
175.07622	0.9
175.14830	2.1
185.05992	1.1
185.13242	1.9
187.07504	1.2
187.11107	1.2
189.09152	1.1
189.16515	0.9
191.03445	1.3
191.14413	0.9
199.14859	1.2
201.12820	1.0
201.16370	4.2
203.17964	16.1
205.19574	3.3
213.03906	0.9
213.12881	1.1
213.16447	2.0
215.07039	34.3
215.10448	1.3
219.10141	1.1
219.17458	2.4
221.11707	1.9
221.18988	7.2
227.17856	1.0
231.04987	4.4
233.19025	1.7
241.08636	4.6
242.08900	7.2
259.09671	100.0
260.10025	10.4
261.18454	0.9
277.10730	19.1
311.20078	1.5
316.14117	0.8
336.76202	0.9
415.21332	0.9
423.32532	0.9
433.22180	2.2
451.23087	2.0
451.32047	1.3
451.88187	0.8
469.21252	1.1
469.28070	3.0
469.33456	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	468.3089
Annotation	1-heptadecanoyl-glycero-3-phosphoethanolamine
Peak:m/z	Relative Intensity
55.05503	6.6
56.96558	4.6
57.03426	4.9
57.07082	39.1
59.05011	1.5
61.02925	4.6
62.06091	27.2
67.05502	14.9
68.05843	4.1
69.07074	8.5
71.08639	32.6
73.02930	1.8
79.05482	1.7
81.07069	11.2
83.08619	6.9
85.02896	4.7
85.10191	17.3
87.04451	1.8
89.06032	17.2
91.03913	2.2
95.08629	12.0
95.49104	1.7
97.02878	3.2
97.10174	3.7
98.20664	3.0
98.57910	1.5
98.97567	3.8
98.98457	7.2
101.02371	1.5
103.03938	5.0
103.07584	2.6
103.35702	1.5
109.10155	9.4
110.10500	2.2
110.97636	2.1
123.11736	2.2
128.98613	2.7
133.08630	8.6
155.01059	7.4
170.63467	1.8
173.11748	2.6
177.11235	5.3
209.02229	1.5
216.06215	2.1
227.05994	2.1
229.07491	1.9
245.06923	2.2
250.07593	1.8
283.17471	6.4
296.10251	2.3
296.29437	12.4
299.07959	4.2
313.27512	5.8
314.27667	3.9
317.09000	2.5
327.28955	100.0
331.10480	13.8
337.01389	1.9
407.25662	8.3
450.29984	4.5
451.36505	7.4
459.22430	6.2
468.31464	3.8
468.37695	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	468.3087
Annotation	Buprenorphine
Peak:m/z	Relative Intensity
55.05490	0.5
56.05026	1.1
57.03419	0.6
57.07066	3.1
58.06574	1.4
60.08162	16.3
65.70024	0.3
67.05498	1.1
68.76119	0.2
69.07065	0.7
70.06593	0.3
70.25209	1.0
71.07373	5.3
71.08633	2.6
81.07053	1.0
83.08620	0.4
84.83856	0.2
85.10177	1.0
86.09704	46.4
95.08611	1.5
97.10184	0.4
98.98454	3.5
104.10740	100.0
105.11050	0.4
107.08591	0.3
109.10149	0.7
123.11694	0.4
125.00003	26.1
163.01541	0.7
175.34103	0.2
181.02596	0.4
181.96352	0.2
184.07333	93.3
185.07715	0.3
187.70114	0.2
228.44539	0.3
250.52802	0.3
258.11081	0.6
285.24164	2.5
391.22327	0.4
450.29807	9.4
468.30847	36.2
469.31528	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	468.248
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	3.2
55.05499	9.5
56.49654	1.7
56.96563	19.8
57.03429	9.3
57.07077	40.8
58.07407	2.7
59.04998	3.3
61.02929	13.2
65.83150	1.9
67.05183	3.1
67.05508	44.8
68.05830	5.5
69.03426	8.7
69.07054	7.4
70.40337	1.8
71.04977	4.0
71.08632	32.1
72.69908	2.0
73.02927	14.0
79.05487	5.2
81.03426	21.4
81.07056	19.2
82.07390	2.4
83.08604	11.4
84.96036	3.0
85.02905	17.6
85.10192	18.1
87.04480	2.9
88.70127	1.9
89.06033	50.9
91.03957	11.0
91.05490	4.7
93.07037	3.6
95.04964	7.0
95.08603	17.6
97.02889	18.9
97.10149	5.7
98.21530	5.5
98.97572	24.4
98.98163	2.5
98.98504	2.9
99.04453	2.6
101.02374	2.8
105.07046	2.6
107.08598	2.0
109.10157	28.0
110.10495	11.6
110.97569	8.3
111.08089	3.0
116.98625	8.1
119.08537	4.5
123.11751	2.6
127.03915	5.7
128.98616	6.7
133.08620	22.3
133.10100	2.0
137.09598	4.0
140.00203	2.3
140.98555	2.8
143.00174	3.9
146.99675	2.4
147.03085	5.3
147.11763	2.7
149.01219	5.0
155.10747	2.4
157.10187	2.2
158.99663	11.9
161.01237	3.7
168.03738	2.4
170.99713	10.1
173.01149	2.4
173.11745	7.8
174.12067	3.1
176.69875	2.3
177.00764	4.8
177.11200	10.2
183.06505	2.3
185.01164	2.5
185.04861	5.5
189.00697	7.2
193.12283	3.9
198.18381	2.2
201.00653	4.9
203.05890	3.1
207.24384	2.0
211.13248	3.6
219.01772	3.9
219.05234	5.1
223.06395	2.0
228.05672	2.5
231.06964	2.6
234.08182	4.2
237.02826	3.1
239.23634	4.6
243.08818	5.2
249.08023	6.8
254.59683	2.6
257.24704	2.9
259.10217	5.5
267.09070	52.2
267.15906	5.6
275.04291	2.1
283.17545	18.3
285.10062	32.2
288.11365	2.9
290.10556	6.6
299.11578	11.5
301.27090	2.5
308.11697	3.7
313.20587	2.9
313.27319	15.1
314.27692	7.1
315.10947	77.7
315.61057	3.7
317.12708	12.0
324.11539	26.7
331.12311	8.8
335.62344	10.3
338.16592	27.3
340.12689	16.6
347.17136	4.8
358.67987	8.8
362.20187	8.8
378.21436	2.9
387.22302	4.6
410.45178	2.2
443.22964	100.0
443.73044	20.0
451.36203	10.2
457.31424	2.8
459.24091	9.0
459.74353	2.4
468.25049	3.5
468.37720	53.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	468.1868
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	1.0
55.01866	1.8
55.05516	1.5
55.29237	1.1
57.03406	1.4
60.08151	2.8
67.05518	5.6
69.03415	1.7
69.07063	4.0
70.96739	1.5
70.97063	1.2
71.01346	3.2
71.04974	1.0
74.97076	1.0
79.05490	2.0
81.03421	1.2
83.04982	3.1
86.09711	10.9
89.03946	1.3
91.05493	2.3
95.04970	10.3
97.06532	17.0
97.56643	1.2
104.10742	12.6
107.04935	1.1
109.02880	1.8
111.04452	1.2
112.07581	1.1
115.05472	2.8
117.03362	1.4
117.07000	1.3
119.08595	1.2
121.06493	1.5
123.04433	4.4
124.04762	1.4
125.00015	6.2
129.07033	1.2
133.06517	1.1
135.04398	3.0
138.61110	1.1
139.03912	1.4
141.06984	3.8
143.08565	1.8
145.06448	1.3
147.04395	1.4
149.05995	2.5
157.10188	1.2
159.08066	1.3
160.05183	7.2
161.02353	1.8
161.05981	18.1
163.03902	28.6
165.05551	1.1
167.08557	3.8
169.06502	8.0
171.08096	2.5
173.02304	2.0
173.05969	6.3
175.03925	5.4
175.07486	1.7
177.05513	1.4
184.07341	19.2
185.05939	1.4
185.07628	1.1
185.09648	1.8
187.07532	6.8
189.05479	1.9
189.09114	28.1
195.08055	5.8
197.05971	5.7
198.06757	1.7
200.04692	9.4
203.06975	1.6
209.04535	1.7
213.09099	8.9
215.07018	47.0
215.10507	2.5
217.08664	6.5
231.10081	6.3
233.08253	1.4
234.35100	1.1
241.08542	4.0
249.11128	2.2
259.09671	100.0
277.10724	14.0
302.34491	1.0
306.56705	1.0
313.03922	1.2
316.91711	1.2
397.38354	1.1
468.23151	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	468.1869
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	3.9
55.01883	2.4
55.05511	2.6
56.96564	1.7
57.03437	1.1
57.65036	0.9
67.05501	10.7
69.03419	3.2
69.07073	15.2
70.06567	1.3
71.52600	1.6
77.64007	0.9
79.05064	1.8
79.05496	16.0
81.03414	2.1
81.07064	6.8
82.07387	1.1
82.27865	1.0
83.04990	5.1
85.02904	3.9
89.03930	6.1
91.05485	3.2
93.07029	5.3
95.04974	5.4
95.08607	3.0
97.02905	2.4
97.06533	43.0
97.07160	2.2
97.35245	1.0
98.09692	1.4
105.07050	3.3
107.04943	2.4
107.08593	3.5
109.06479	1.1
109.10154	2.6
111.04453	1.0
117.03397	8.3
119.08595	3.6
121.06519	10.4
121.10140	1.9
123.04427	2.3
127.03950	1.3
131.08607	1.6
132.08951	1.4
133.02844	1.5
133.10146	2.1
134.03644	5.9
135.04420	15.1
135.11728	1.4
142.07785	1.2
143.08617	1.4
145.02867	17.5
145.10121	1.8
146.10513	1.3
147.11665	2.3
149.13261	1.3
151.03911	2.9
152.04260	1.4
156.05727	1.3
157.10156	1.7
159.04465	2.1
159.11647	1.8
161.02322	2.9
163.03909	93.0
167.08455	1.6
168.56139	1.1
171.04362	1.2
173.02368	6.6
176.10992	1.1
184.05197	2.3
186.05511	1.1
187.03746	1.2
195.08078	2.5
202.16693	1.4
203.17961	1.3
213.09145	3.5
215.07063	9.4
217.04861	1.5
219.10176	2.6
220.10556	1.7
241.08600	100.0
259.09668	99.3
260.09717	1.3
269.17554	2.2
270.17725	1.8
271.18201	2.4
277.10724	1.5
433.14963	2.0
450.30789	1.6
455.58264	1.3
468.26550	8.8
468.32547	3.5
476.28671	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.3734
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	0.6
55.05510	10.1
57.03448	2.8
57.07077	35.3
57.84543	0.5
59.05009	4.1
65.03946	2.0
67.05507	87.1
69.03426	0.9
69.07070	7.5
71.04987	3.0
71.08635	25.6
71.37839	0.7
71.38183	0.8
79.05509	2.8
81.07058	26.0
83.08626	15.0
83.09123	1.0
85.06552	2.8
85.10188	13.3
89.93034	0.6
91.05478	7.4
93.07044	3.4
95.08607	25.4
97.10166	4.7
98.98462	6.9
99.11748	1.1
105.07007	1.3
107.08609	1.6
109.10159	67.1
110.10461	0.6
111.08107	2.3
111.11712	1.1
119.08576	4.7
123.11716	4.1
125.09689	0.6
125.13289	0.9
133.10143	4.8
136.99939	0.8
137.09587	2.7
137.13266	1.5
146.41660	0.6
151.14828	0.7
155.01028	9.4
155.10666	4.7
173.10257	1.1
173.11742	20.7
189.93082	0.8
239.23698	8.7
313.27380	18.2
441.25043	0.6
449.26709	2.7
467.37354	100.0
468.37503	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.3735
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	12.8
57.03431	1.9
57.07079	37.1
59.05009	4.2
60.40511	0.7
65.03942	3.2
67.05509	93.9
69.07073	7.6
70.45721	1.2
71.04994	2.7
71.08638	25.2
79.05497	2.3
81.07063	29.9
82.16225	0.7
83.08624	15.7
85.06571	2.2
85.10192	13.9
91.05492	4.7
93.07047	3.8
95.05013	0.7
95.08616	24.2
97.10178	5.6
98.98480	3.2
99.08150	0.8
99.11745	0.9
107.08613	2.4
108.73332	0.7
109.10163	72.3
111.08107	2.0
111.11702	1.3
112.33660	0.7
119.08586	5.1
123.11725	4.7
125.13261	1.1
137.09677	4.0
137.13293	2.3
155.01064	3.6
155.10699	5.1
173.11743	18.2
173.13181	1.3
181.72026	0.7
221.22713	1.0
239.23676	9.0
313.27426	7.9
315.11026	0.9
443.22913	0.7
449.26611	1.0
467.37372	100.0
468.37750	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	467.3732
Annotation	Unknow
Peak:m/z	Relative Intensity
50.99416	0.5
55.05515	9.5
57.03433	1.2
57.07078	28.2
59.04989	3.5
65.03942	1.8
67.05506	75.8
69.07075	6.7
69.22059	5.5
70.64149	0.6
71.04990	2.3
71.08235	0.9
71.08631	20.4
79.05495	1.8
81.07055	22.4
82.52132	0.5
83.08622	11.5
85.06551	2.5
85.10190	12.4
91.05473	4.5
93.07061	2.7
95.08607	19.9
97.10169	3.7
99.11731	1.1
107.08589	1.8
109.10158	59.3
111.08095	2.2
111.11694	1.3
119.08617	4.0
123.11702	3.0
125.13309	1.0
133.10066	0.8
137.09613	3.3
137.13246	1.8
140.31740	0.5
155.10698	4.9
173.10255	1.1
173.11740	20.3
213.78778	0.5
221.22614	1.6
239.23703	8.8
244.76607	0.6
440.05264	0.7
467.37347	100.0
468.37601	1.1
477.41034	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.3733
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	12.0
57.03416	2.1
57.07076	36.4
59.05006	6.3
65.03938	1.4
67.05506	90.8
69.07067	9.0
69.94193	1.4
69.94581	2.0
71.04989	3.0
71.08635	27.5
79.05483	2.1
80.84068	0.7
81.07056	23.0
81.07529	1.3
83.08618	14.4
85.06529	3.3
85.10186	11.9
91.05469	4.3
93.07040	3.8
95.08608	22.1
97.10172	4.0
98.21378	1.0
99.11736	0.9
103.07529	0.7
107.08599	1.4
109.10160	64.8
111.08095	2.2
111.11718	1.3
117.09082	0.7
119.08606	4.5
119.09348	0.9
123.11681	4.4
125.13271	1.6
137.09642	2.8
137.13272	1.8
151.68176	0.8
155.10634	3.9
165.65611	0.7
173.11745	21.8
173.13202	1.6
221.22688	0.9
239.23674	8.1
257.24902	0.9
358.35950	0.8
404.97083	0.7
451.40591	0.8
467.37335	100.0
468.37457	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.3158
Annotation	Stellettin K
Peak:m/z	Relative Intensity
50.83020	1.7
53.03937	5.3
55.01876	2.6
55.05508	16.2
57.03425	3.2
57.07062	2.4
65.03938	4.5
67.05508	36.0
69.03419	3.6
69.07068	15.8
69.84953	9.5
71.04996	5.3
72.08733	1.7
77.03926	2.5
79.05069	2.5
79.05499	32.6
81.03416	4.5
81.07055	73.1
83.04981	5.5
83.08604	9.5
85.02878	2.3
85.06549	3.4
91.05486	42.9
93.07049	47.9
95.04963	8.6
95.08610	63.6
97.06527	10.4
97.10193	4.9
99.08098	13.5
101.05980	2.2
103.05462	4.2
105.07031	72.3
107.08596	70.3
109.06532	8.0
109.10151	28.3
111.08085	5.9
115.05449	5.1
116.06191	2.5
117.07002	13.7
119.08588	100.0
121.06532	6.7
121.10139	39.7
121.10939	3.5
123.04433	4.1
123.08077	10.7
123.11749	5.8
125.05928	3.0
125.09627	5.7
128.06218	5.6
128.98531	1.7
129.07013	15.6
130.07784	2.5
131.08572	59.1
133.06528	3.2
133.10141	48.9
135.08078	6.4
135.11700	16.0
137.06009	2.1
137.09662	4.6
139.03957	2.3
139.07574	2.3
141.06938	4.1
142.07806	8.0
143.08568	38.5
143.09575	3.4
144.09314	4.3
145.06512	4.0
145.10124	75.4
147.04407	2.0
147.08040	5.6
147.11699	37.3
149.05969	2.8
149.09644	5.0
149.13319	10.8
151.03894	2.6
151.07587	2.6
151.11235	2.4
153.09125	5.2
154.07794	2.8
155.08551	15.1
156.09364	12.0
157.10138	41.0
158.10916	4.1
159.11697	43.3
161.09616	7.1
161.13264	24.6
163.07607	6.6
163.11220	3.2
163.14827	7.5
167.08588	5.0
168.09390	5.4
168.14240	1.8
169.10141	21.5
170.10951	5.1
171.08092	2.4
171.11681	30.7
172.12495	2.9
173.09535	2.1
173.13255	48.2
175.11166	3.1
175.14825	29.7
176.04695	3.3
177.12752	2.6
177.16475	3.9
179.08568	2.3
181.10086	5.5
181.12209	2.4
182.10893	4.5
183.11693	22.7
185.09651	3.0
185.13254	41.9
187.11227	5.6
187.14813	50.0
189.12788	4.5
189.16432	10.8
195.11661	9.2
196.12502	4.4
197.13239	22.2
199.11176	6.2
199.14825	51.0
201.12752	8.0
201.16380	37.5
203.10640	2.7
203.14302	16.2
203.18007	3.0
205.15892	6.0
207.11766	5.8
208.12474	3.8
209.13316	11.5
209.15099	1.8
210.14073	3.7
211.14847	19.8
213.12811	3.7
213.16368	17.6
215.14314	12.4
215.17931	4.4
217.15836	12.0
219.10185	8.0
219.12073	2.3
219.13924	5.4
221.13359	4.6
221.15375	4.1
223.14941	11.8
225.16458	13.0
227.14326	4.2
227.17990	7.9
229.15924	6.9
231.13893	7.5
231.17586	5.5
233.13277	2.5
233.15431	7.5
237.16490	8.2
239.17877	10.3
241.19572	5.7
243.17607	2.6
245.15375	13.4
247.17029	6.7
249.16406	6.3
251.18008	6.2
253.19637	7.5
257.19080	2.6
259.17026	5.4
263.17953	6.4
265.19571	4.2
267.17459	2.0
267.20886	2.5
271.17090	2.8
277.19620	6.3
278.20544	2.3
279.20859	9.3
281.18887	3.3
281.22763	3.1
285.18481	2.6
289.19415	2.4
291.21170	4.1
293.22772	3.2
297.18863	2.9
297.22125	5.2
299.20114	4.8
303.21042	3.1
305.22632	2.6
307.20734	3.3
307.24121	3.6
321.22397	2.3
323.20068	2.8
325.21793	5.3
333.22079	3.1
335.10852	2.2
349.25397	6.3
361.29138	2.6
375.30743	3.5
385.28995	8.4
403.29965	57.9
405.31821	4.1
407.29480	7.4
419.29538	2.2
421.31024	90.5
422.31091	2.1
423.32892	3.4
431.29578	16.5
435.27411	2.8
437.30286	2.1
439.31787	2.4
449.30521	54.6
455.88766	1.8
461.98459	2.0
467.31659	83.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.3158
Annotation	Stellettin K
Peak:m/z	Relative Intensity
51.78672	2.0
55.01865	2.0
55.05506	11.3
57.03418	3.0
57.07083	2.3
67.05505	19.5
68.92329	1.8
69.03417	4.0
69.07069	16.7
71.05019	2.5
71.22160	4.2
79.05497	15.0
81.03410	3.2
81.07052	28.3
83.04970	4.0
83.08620	6.2
91.05489	17.0
93.07043	28.0
95.05015	3.9
95.08613	31.7
97.06521	6.4
97.10189	2.7
105.07037	32.6
107.08595	35.5
109.06516	7.2
109.10155	22.7
111.08080	5.2
117.07026	6.6
117.26206	2.4
119.08576	46.1
121.06552	2.9
121.10141	26.9
123.08059	3.1
123.11690	3.1
125.09620	3.7
128.06227	4.0
129.06993	9.0
131.08577	26.9
133.10133	28.1
133.83182	1.9
135.08083	2.6
135.11707	9.9
137.09601	4.2
139.03940	2.5
141.06993	3.7
142.07765	6.1
143.08562	31.0
144.09320	2.6
145.10126	39.2
147.08069	4.0
147.11717	21.1
149.09644	3.2
149.13266	9.4
151.03929	2.9
151.11194	3.8
155.08598	8.2
156.09334	5.9
157.10130	44.3
158.10963	3.3
159.11714	18.1
161.09567	2.3
161.13202	17.7
163.03928	1.9
163.11264	4.0
163.14828	5.2
163.68452	1.9
165.12692	2.7
167.10725	6.9
169.10115	16.5
170.10889	4.3
171.11685	19.4
173.13258	23.5
175.07617	2.9
175.11206	3.3
175.14859	16.8
177.00662	2.2
177.12788	4.3
177.16422	2.6
181.10118	7.0
182.10918	4.6
182.78716	2.4
183.11697	12.6
184.12503	3.2
185.13255	16.9
187.07509	4.2
187.14769	19.5
189.09219	4.9
189.16348	3.1
191.10596	2.2
191.14333	8.3
193.10155	3.2
193.12132	2.2
195.11728	8.9
195.13718	2.1
196.12494	8.7
197.13245	12.8
198.13887	2.4
199.14825	27.0
201.09169	2.5
201.16397	28.6
203.14406	4.7
203.18001	3.6
205.15851	6.1
207.11835	3.4
207.13809	4.5
208.12462	2.7
209.13382	5.4
211.14784	28.5
213.16435	18.7
215.14308	5.0
215.18010	3.6
219.10112	3.1
221.13382	4.7
221.15387	3.9
223.14848	9.1
225.16443	6.7
227.17975	7.5
229.07440	4.4
229.15906	6.9
233.13426	2.4
233.15508	3.2
235.14783	3.7
237.16382	9.5
239.17967	19.1
241.19521	3.2
243.17473	2.3
245.15431	14.1
247.16922	8.5
251.17894	5.0
253.19574	5.3
255.17407	2.5
257.15384	57.2
259.16977	5.6
263.17896	3.3
265.19351	2.5
267.21136	3.4
271.16907	3.6
273.18646	2.6
279.21152	4.8
283.17007	6.8
285.18500	4.1
291.21112	4.9
296.10361	2.3
299.20212	3.1
310.99063	2.3
311.20203	3.0
317.22696	2.5
319.24271	8.2
323.20096	3.1
325.21121	3.0
345.26056	3.5
363.23459	3.5
365.24948	3.9
385.28931	8.3
387.30707	4.7
391.26138	5.0
403.30020	28.7
405.31314	11.5
419.29642	5.1
421.31097	24.8
423.32654	16.0
431.29611	14.0
437.30637	3.8
449.30499	65.3
467.31662	100.0
468.31982	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.3158
Annotation	Stellettin K
Peak:m/z	Relative Intensity
50.09098	1.9
52.50024	2.1
53.03937	3.8
55.05511	18.2
57.07075	3.2
59.45791	2.0
65.03934	2.7
67.05503	19.1
69.03423	8.3
69.07072	15.0
70.06596	3.2
70.76655	5.2
70.76983	2.7
71.04990	3.0
79.05502	14.5
79.05906	3.0
81.06660	2.6
81.07065	33.3
83.04980	17.6
83.08620	13.7
85.02896	4.2
85.06522	2.4
91.05468	20.4
93.07043	35.9
95.04974	11.8
95.08615	48.6
97.06528	8.3
105.07027	38.8
107.08600	59.5
109.06529	6.7
109.10174	26.5
111.08067	5.5
111.61578	2.4
115.05428	3.6
117.07006	9.9
119.08584	62.1
121.06534	3.1
121.10149	48.5
123.08070	8.4
123.11713	11.2
125.09648	6.8
127.11192	4.6
128.06245	4.2
129.06995	9.8
131.08580	32.3
133.10127	37.9
135.08073	4.9
135.11679	16.8
137.09650	3.0
137.13226	4.6
139.03964	2.7
141.06990	4.0
142.07814	6.0
143.08559	22.4
144.09393	3.1
145.10120	49.6
147.08086	3.9
147.11656	24.2
149.09596	5.9
149.13272	12.2
151.03934	2.6
153.09062	3.4
155.08574	12.0
156.09386	7.5
157.10139	29.8
158.10890	3.1
159.11702	42.6
161.09625	3.0
161.13251	30.1
163.03923	5.5
163.11189	5.2
163.14787	10.7
167.08504	3.1
168.09441	3.0
169.10129	22.4
170.10869	3.1
171.11713	25.9
173.02493	2.7
173.09714	2.7
173.13266	29.9
175.11270	3.4
175.14832	28.0
177.05487	3.6
177.12759	7.4
177.16344	5.5
179.14346	8.0
181.10092	16.5
182.10986	2.4
183.11732	21.9
185.13260	27.9
187.11195	5.1
187.14854	26.1
189.12767	9.1
189.16460	10.0
191.14323	6.8
193.10110	4.3
195.11687	9.3
197.13239	11.2
199.14803	22.4
201.12733	4.9
201.16373	30.6
203.14308	13.6
203.17964	4.0
205.15938	8.3
207.11659	7.0
207.13634	2.5
209.13251	7.8
209.15311	2.8
211.14809	7.9
213.12724	3.2
213.16336	16.1
215.07130	4.5
215.14330	10.2
215.17961	4.4
217.12335	2.5
217.15883	11.4
219.17477	8.4
221.13304	5.4
221.15503	2.5
222.14114	2.4
223.14864	10.2
225.16357	14.3
227.14355	3.8
227.17984	8.9
229.15910	8.6
231.13818	3.2
231.17445	5.3
233.13283	3.0
233.15366	4.7
235.14827	10.0
237.16388	67.0
239.17963	11.2
241.15996	4.0
241.19505	3.4
243.13861	3.2
243.17471	3.9
245.15393	5.5
247.16982	6.5
249.14668	5.0
249.16879	3.2
251.18005	13.1
253.15950	3.0
253.19455	10.9
255.17499	8.9
259.09683	7.1
259.16995	5.6
261.14807	7.8
263.18143	4.4
265.19482	4.3
267.17700	2.3
267.21112	5.4
269.18961	3.5
271.02707	2.4
271.92142	2.4
275.09085	3.9
275.16397	2.7
277.19675	6.1
279.17410	2.4
279.20905	3.7
283.16904	6.4
291.21094	3.2
295.20560	3.2
297.18539	6.0
307.24237	2.9
317.22763	2.7
319.24197	6.5
335.23941	3.1
343.24142	2.1
349.25378	2.9
365.24854	3.4
367.22675	3.8
385.28821	8.0
387.30179	4.8
391.30392	3.7
403.29974	45.0
404.30176	2.6
405.31995	6.2
413.28180	2.3
419.29514	4.0
421.31003	48.7
431.29422	22.0
437.30353	5.7
449.30579	63.5
467.31616	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	467.316
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	5.6
55.01863	2.8
55.05515	15.3
57.07071	2.5
59.51256	2.3
64.58541	2.7
65.03952	2.4
65.35986	2.6
67.05513	17.3
67.05818	3.4
69.03429	6.6
69.07063	13.3
70.06609	4.4
70.14619	3.7
71.04972	4.5
73.35870	2.5
74.57413	2.8
79.05494	20.8
81.03428	4.0
81.07055	38.6
83.04984	8.2
83.08626	7.2
85.02920	5.4
91.05482	23.0
93.07052	44.0
95.04980	10.0
95.08611	57.5
97.02924	3.0
97.06538	13.2
97.10177	3.6
99.08112	8.1
103.05479	3.9
105.07032	54.6
105.07692	4.0
107.04926	2.7
107.08594	63.0
109.02861	3.1
109.06516	7.2
109.10159	29.7
117.07054	13.4
119.08580	97.4
121.06548	8.9
121.10148	45.2
123.04436	4.1
123.08083	8.9
123.11731	7.2
125.09663	5.3
128.06248	4.3
129.07025	11.0
130.07816	4.0
130.22867	2.6
131.08583	48.3
131.09543	3.9
133.10146	49.6
135.08084	9.4
135.11700	21.9
137.05998	6.4
137.09653	5.4
142.07806	7.4
143.08592	16.8
144.09375	4.6
145.10126	56.4
145.11157	4.2
147.08061	7.9
147.11685	36.5
149.09657	7.2
149.13268	6.5
155.08572	13.5
156.09395	7.9
157.10146	39.8
158.10844	4.9
159.08035	4.5
159.11691	46.3
161.09660	9.3
161.13252	19.4
163.03923	11.1
163.07687	3.7
163.11234	9.8
163.14899	10.0
165.09171	4.0
167.08563	4.4
168.09247	4.0
169.10147	20.9
170.10959	5.4
171.11690	35.8
173.09720	3.7
173.13254	46.3
175.11240	8.1
175.14835	37.1
177.16454	8.0
179.14227	4.6
181.10138	9.3
182.10989	9.3
183.11665	24.4
185.13257	27.6
187.11249	7.0
187.14812	37.3
189.12767	20.3
189.16426	8.4
191.10583	3.1
191.14398	9.7
193.10138	3.1
195.11763	10.5
196.12546	3.4
197.13292	19.9
199.11223	3.6
199.14824	29.3
201.09384	3.4
201.12808	3.9
201.16414	38.4
203.14337	15.8
203.18025	4.1
205.15973	4.1
207.11790	5.3
207.13750	4.1
208.12549	4.5
209.13203	12.8
211.14803	20.5
213.16354	20.1
215.14359	15.2
215.17819	6.6
217.15961	10.7
219.13744	5.8
221.13322	4.4
221.15392	5.2
223.14787	12.8
225.16537	9.3
227.14420	5.3
227.17946	5.8
229.15962	14.1
231.13908	3.7
231.17499	4.8
235.14908	6.4
237.16406	16.9
239.18068	5.5
241.19493	5.7
245.15413	4.7
247.17070	8.8
249.16562	4.7
251.18083	8.0
253.19675	7.4
255.17566	2.8
257.15485	5.3
257.19006	5.0
259.09744	8.3
259.16998	5.4
263.18100	5.3
267.21265	4.0
277.19550	6.6
279.21091	4.4
281.19046	3.1
283.02481	11.1
283.16962	5.4
283.20496	3.5
285.18732	5.1
295.20718	3.3
299.20032	4.9
307.20941	3.1
315.05157	4.2
319.24246	6.4
331.23965	2.8
333.21909	3.9
335.23874	3.2
365.25098	5.3
385.29068	13.0
391.30090	11.3
391.45663	2.9
403.30029	48.4
419.29553	9.4
421.31036	51.9
421.36279	4.0
431.29736	11.5
437.30643	12.8
449.30487	85.3
467.09656	5.8
467.15756	8.2
467.31763	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	467.3158
Annotation	Stellettin K
Peak:m/z	Relative Intensity
53.03944	5.2
55.01862	2.2
55.05516	13.3
57.03422	2.3
65.03931	3.3
67.05505	27.3
67.52588	2.2
69.07073	15.2
69.35707	15.9
71.05034	2.5
79.05502	30.2
81.07057	42.3
82.33492	2.4
83.04962	2.9
83.08615	7.2
91.05491	34.2
93.07046	49.6
95.04972	8.6
95.08615	48.7
97.06557	10.2
97.10146	4.1
98.21534	3.8
103.05476	3.2
105.07034	74.7
107.08595	49.6
109.06552	8.1
109.10161	26.1
111.08094	3.0
115.05482	3.4
116.06252	2.4
117.07022	15.5
119.08588	100.0
121.06529	4.2
121.10142	30.7
123.08080	4.7
123.11736	5.7
125.05988	3.3
125.09652	4.1
127.07549	3.7
128.06206	4.6
129.07018	14.9
130.07835	5.2
131.08578	48.9
133.06488	1.9
133.10139	42.9
135.08040	2.1
135.11696	15.3
139.03908	4.2
141.07036	7.0
142.07837	13.9
143.08571	34.8
144.09328	7.0
145.06485	3.0
145.10121	73.1
147.08034	2.2
147.11694	34.6
149.09633	3.4
149.13258	13.3
150.34677	2.1
151.07547	3.1
151.11159	2.1
153.07077	3.1
155.08534	13.9
156.09341	8.1
157.10135	50.9
158.10931	2.6
159.08118	4.8
159.11700	60.0
161.09598	5.8
161.13258	31.2
163.07578	5.1
163.11137	3.3
163.14789	4.7
165.07146	3.0
167.08572	6.1
168.09326	5.7
169.10141	21.5
170.10953	8.2
171.11688	29.3
173.09772	2.1
173.13249	40.8
175.11249	3.9
175.14900	16.9
177.12715	3.9
179.08553	4.1
180.09274	3.3
181.10143	8.2
182.10922	2.8
183.11678	25.7
184.12502	2.9
185.13271	39.9
187.11232	3.6
187.14812	39.4
189.09000	2.7
189.12816	4.6
189.16341	13.7
191.14307	2.5
193.10190	4.7
195.11765	12.2
196.12433	3.0
197.13286	23.1
199.11162	4.1
199.14828	45.8
201.12749	23.7
201.16368	29.7
203.14320	13.6
203.17947	3.0
205.15889	4.7
207.11728	8.0
208.12614	2.2
208.35133	2.1
209.13257	11.5
211.14745	14.4
213.12750	3.3
213.16452	16.1
215.14365	11.6
215.17931	5.5
217.15897	12.4
219.13875	5.7
219.17496	3.5
221.13217	6.6
221.15347	8.3
223.14899	11.8
223.16711	2.5
225.16435	9.3
227.14471	2.8
227.17851	2.9
229.12315	2.5
229.15942	6.1
231.13850	4.1
231.17474	8.2
233.13306	4.3
233.15419	4.6
235.14813	9.5
237.16367	8.1
239.18036	7.2
241.19435	3.0
243.13803	2.8
245.13203	3.6
245.15425	9.3
247.13152	4.7
247.16995	2.7
249.16486	3.7
251.17944	8.4
253.15886	3.6
253.19606	2.4
257.15344	3.5
263.17868	5.2
265.19342	5.4
269.19077	2.6
271.16940	2.5
273.14725	3.4
275.17874	2.8
277.19598	8.0
279.21069	5.1
289.19690	3.4
291.21143	3.2
293.59329	2.5
295.20483	3.3
297.18777	4.8
297.22101	3.4
305.22797	2.6
307.20776	2.7
307.24069	3.5
323.20169	5.3
325.21442	3.1
347.27264	2.9
351.23132	7.5
363.26816	3.4
365.24588	3.3
385.28839	12.5
387.30392	2.7
393.27811	5.2
403.29996	37.8
405.31384	3.1
421.31033	31.2
431.29517	22.0
449.30563	39.8
467.31705	56.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.3158
Annotation	Stellettin K
Peak:m/z	Relative Intensity
52.89994	2.0
53.03941	3.1
55.05513	11.9
57.01314	2.1
57.07072	4.3
67.05511	16.9
69.03436	2.8
69.07054	8.4
69.35500	4.6
69.35905	12.9
76.51279	2.5
79.05485	18.0
81.07064	36.4
82.48298	2.3
83.08614	5.9
85.06527	2.3
91.05481	23.3
93.07052	31.2
95.04951	2.9
95.08067	3.3
95.08617	40.6
97.06512	7.6
97.10175	3.3
105.07034	50.9
107.08603	50.2
109.06506	5.3
109.10172	22.4
111.08099	7.7
115.05426	2.6
117.07032	13.3
119.08585	100.0
121.06523	3.0
121.10159	35.5
123.08002	4.3
123.11720	5.4
125.09629	8.6
128.06235	3.2
129.06972	12.0
130.07794	5.3
131.08578	42.1
133.10135	46.9
135.08063	2.8
135.11722	15.6
137.09560	5.5
139.03961	2.6
141.07013	4.4
142.07784	8.4
143.08572	29.6
144.09348	6.9
145.10130	76.5
147.08064	5.0
147.11697	30.7
149.09625	6.4
149.13269	9.7
151.07570	2.6
151.11246	2.5
155.08539	9.3
156.09358	8.3
157.10138	38.9
158.10930	3.7
159.08133	3.0
159.11702	57.6
161.09657	4.1
161.13260	20.5
163.03911	2.3
163.07516	8.1
163.11148	5.0
163.14861	4.6
165.12727	3.3
165.75162	2.4
167.10658	6.4
168.09390	4.9
169.10107	17.4
170.10860	7.3
171.11687	27.6
172.12616	2.3
173.13274	55.0
175.11317	3.0
175.14836	25.7
177.12737	8.3
177.16412	7.9
181.10135	7.1
181.12196	5.4
182.10909	3.3
183.11699	18.0
184.12468	4.5
185.13242	23.1
187.14838	45.0
189.09111	2.6
189.12753	5.3
189.16403	6.7
191.14360	5.0
193.15877	3.5
195.11688	8.4
195.13777	3.5
196.12401	2.5
197.13255	17.6
199.11168	4.1
199.14824	41.3
201.12720	5.0
201.16393	40.6
203.14333	5.2
203.17934	6.9
205.15857	13.2
207.11765	3.8
208.12549	2.8
209.13232	8.3
211.14755	14.7
213.16417	14.6
215.14334	7.9
215.17921	5.0
217.12393	2.7
217.15880	11.9
219.13782	5.8
221.13344	4.2
223.14824	7.9
225.16307	10.4
227.14326	3.4
227.17963	6.4
229.15820	5.4
231.13722	4.4
231.17546	4.3
235.14854	4.3
237.16357	7.3
239.17969	5.3
243.13873	3.4
245.15410	8.9
247.16946	8.6
249.16422	3.5
251.17899	6.5
253.19432	4.3
257.15445	11.7
257.18616	2.2
263.17825	4.5
265.19553	3.0
271.16873	4.5
279.21078	4.0
283.16980	2.7
297.18604	3.3
303.20761	2.8
311.20163	3.2
317.22797	3.0
319.24432	4.0
337.21722	3.8
345.25574	4.5
374.53802	2.5
385.28836	8.8
387.30518	4.4
389.10757	2.2
391.26132	8.7
403.30023	24.9
405.31506	7.1
419.29453	12.5
421.30972	22.9
423.32562	10.1
431.29492	19.9
437.30450	3.0
449.30527	46.1
467.31592	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	467.3158
Annotation	Stellettin K
Peak:m/z	Relative Intensity
53.03933	7.6
55.05512	14.9
57.03424	3.4
57.07056	4.6
61.02900	2.9
63.08051	2.5
65.03938	2.8
67.05510	25.7
69.03429	9.8
69.07071	21.0
69.18000	15.1
69.18420	11.0
71.04982	4.6
71.96538	2.7
72.08151	2.7
73.02895	2.9
73.76323	2.7
77.03897	3.7
79.05491	26.8
81.03415	11.5
81.07063	50.4
83.04984	4.6
83.08627	12.3
84.08179	3.6
85.02914	14.6
85.06533	5.0
87.00823	5.6
90.13629	2.6
91.05484	33.1
93.07037	51.2
95.04964	9.7
95.08612	53.3
97.02889	7.4
97.06533	18.8
97.10184	2.8
98.97660	2.8
100.11274	4.4
103.05473	3.4
105.07031	62.4
107.04929	3.8
107.08590	61.1
109.02872	6.3
109.06552	8.7
109.10154	27.4
110.32775	2.7
111.08076	8.1
115.05463	4.8
117.06989	15.3
119.08588	100.0
121.06486	15.5
121.09303	5.1
121.10144	45.6
122.06863	6.5
123.04456	7.9
123.08062	10.0
123.11729	8.4
125.09637	9.0
127.03917	10.7
127.07572	2.8
128.06268	6.3
129.07001	12.5
131.05060	3.0
131.08557	45.6
133.10132	55.6
135.08044	5.6
135.11703	17.2
137.06004	4.8
137.09639	6.4
139.03889	6.1
141.06995	5.9
142.07776	7.5
143.08566	30.4
144.09363	7.4
145.04993	3.6
145.10121	71.7
147.08061	5.4
147.11700	32.9
149.06001	2.9
149.09586	6.4
149.13312	8.2
151.03902	34.9
151.04993	3.8
151.11116	3.9
155.08542	12.6
156.09407	14.0
157.10127	48.4
159.08058	6.9
159.11696	64.6
161.06007	4.8
161.09616	6.3
161.13263	32.8
163.03935	6.1
163.07524	12.9
163.11118	8.4
163.14841	10.7
165.12717	3.7
166.07669	3.0
167.08557	3.1
167.10744	4.4
168.09407	3.7
169.10130	23.3
170.10898	6.8
171.08098	2.4
171.11681	32.6
172.37253	2.7
173.09663	3.5
173.13278	44.9
175.11111	3.1
175.14822	28.0
177.05539	2.8
177.09079	3.0
177.12735	9.0
179.10689	3.0
181.10176	9.4
181.12227	5.0
182.10950	3.6
183.11682	22.2
184.12378	5.5
185.13229	27.2
187.11115	3.0
187.14824	38.4
189.09183	3.4
189.12741	5.5
189.16393	9.5
191.14359	6.2
193.10170	4.0
193.15904	9.5
194.11108	3.0
195.11696	5.3
197.13254	18.5
199.11313	2.6
199.14839	43.5
201.12762	5.6
201.16399	37.4
203.14354	11.8
203.18039	6.3
205.12234	3.9
205.15921	9.1
207.11731	8.1
209.13356	10.6
211.14822	25.1
213.16428	18.5
215.10609	3.6
215.14349	4.5
215.17984	7.5
217.08603	5.3
217.12350	7.1
217.15961	11.8
219.10146	40.3
219.17488	7.9
221.13234	5.7
221.15195	2.9
223.14854	9.2
225.16467	14.7
227.14458	4.2
227.17964	6.0
229.16029	5.1
231.13770	7.0
231.17455	6.9
233.15303	4.0
235.14870	4.0
237.16469	10.4
239.18039	9.9
241.19472	4.6
245.15367	9.3
247.17055	6.0
249.16339	5.7
251.17923	13.4
253.19528	6.4
255.74347	2.4
257.15421	20.4
271.17032	6.1
277.19501	3.9
279.21106	2.8
281.23004	2.6
283.16980	3.6
285.18567	2.6
297.18338	6.1
297.22482	3.0
303.21432	3.0
319.24265	4.4
337.21603	4.8
345.26105	3.0
350.36240	3.5
363.22903	3.4
385.29004	7.2
387.30585	3.4
391.26199	6.1
403.29990	25.7
405.31567	6.0
419.29651	8.5
421.31036	32.8
423.32596	8.2
431.29413	26.2
449.30515	49.0
467.21359	4.9
467.31647	91.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.3159
Annotation	Stellettin K
Peak:m/z	Relative Intensity
52.25264	4.4
53.03935	8.8
55.01858	7.4
55.05516	23.2
55.16901	3.4
55.65841	3.8
57.03427	7.1
63.44839	3.8
65.03952	3.8
66.38801	3.4
67.05495	26.6
69.03427	10.1
69.07060	24.4
70.67065	5.3
70.67363	4.0
71.04988	7.5
79.05505	29.3
81.03447	4.4
81.07059	71.6
82.07401	7.3
83.04970	8.3
83.08627	13.9
85.02905	16.0
86.09666	4.2
91.05483	33.3
93.07045	49.0
95.04963	11.8
95.08611	61.7
97.02881	8.8
97.06532	45.3
97.10191	5.1
97.21529	3.3
99.04475	4.6
105.07046	54.2
107.04981	4.3
107.08598	71.5
109.02863	7.3
109.06529	11.2
109.10149	36.1
109.66181	3.4
111.04387	3.5
111.08063	9.1
117.07028	20.5
119.08584	100.0
121.04002	3.0
121.06501	11.7
121.10134	39.8
123.04441	11.5
123.08043	7.8
123.11722	11.1
125.09606	7.6
127.03899	5.7
127.37123	3.3
127.79844	3.9
128.06226	4.7
129.06989	10.4
130.07790	5.7
131.08565	58.2
133.10135	55.8
135.04463	7.5
135.08084	6.3
135.11745	17.1
137.09586	9.9
137.13283	6.9
138.13515	3.9
138.28638	3.6
139.03844	5.0
139.11154	4.8
141.06938	7.8
142.07771	15.1
143.08572	32.1
144.09355	7.1
145.02910	5.4
145.06413	3.6
145.10115	85.6
147.04333	5.6
147.08051	7.6
147.11691	44.0
149.06030	5.1
149.09599	8.6
149.13268	8.8
151.03888	34.9
151.11197	3.4
155.08549	14.4
156.09334	11.5
157.10146	49.4
158.11029	3.7
159.08032	7.7
159.11693	67.3
161.05922	4.7
161.09653	7.0
161.13229	25.6
163.03929	28.2
163.07509	10.8
163.11212	6.7
163.14821	6.7
167.08510	3.9
167.10666	4.5
169.10133	13.4
169.97940	3.3
170.10898	3.6
171.11656	33.1
172.12407	4.5
173.02322	5.8
173.09613	6.9
173.13287	56.9
175.11253	4.5
175.14778	29.1
177.05437	7.6
177.12775	6.1
177.16365	5.2
179.08524	4.2
181.10138	6.4
181.12303	7.5
182.10895	6.9
183.11655	25.5
185.09689	4.3
185.13280	34.5
187.07553	3.8
187.14850	43.1
189.09081	4.4
189.12831	5.7
189.16359	8.7
191.10718	5.1
191.14365	5.8
193.15910	5.1
195.11739	7.9
196.12631	3.5
197.13275	25.3
199.11168	6.9
199.14830	44.0
201.12816	5.8
201.16376	45.3
203.14354	11.6
203.17992	6.0
205.15907	13.0
207.11649	5.7
209.13260	15.6
211.14799	20.4
213.16389	18.6
215.07008	8.6
215.10788	4.2
215.14264	7.8
217.08693	5.5
217.15886	14.6
219.10172	36.3
219.17477	7.8
221.13281	5.3
221.15326	5.3
223.14818	10.1
225.16385	12.2
227.17967	7.9
229.15894	7.5
231.17450	8.1
235.16945	5.4
237.16402	4.2
243.13884	5.0
245.15422	10.7
247.17058	9.1
249.16382	4.3
251.17972	12.9
253.19763	4.3
257.15375	15.1
259.09647	47.3
265.19550	4.9
279.20999	5.4
283.16943	4.3
313.18033	6.7
319.24158	4.5
337.21591	5.7
385.29025	10.1
387.30408	4.6
391.26147	9.3
403.30075	29.3
405.31342	7.3
419.29379	12.5
421.30893	30.4
423.32443	8.0
431.29324	17.5
449.30667	50.9
467.19922	4.9
467.25854	6.3
467.31729	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	467.2772
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	7.9
57.03436	8.4
57.07075	40.2
59.04994	1.5
67.05508	35.3
67.36678	1.1
69.07056	7.9
71.04977	1.6
71.08634	30.6
79.05490	3.3
81.07059	16.9
83.08614	12.0
85.06530	2.0
85.10185	17.5
85.81551	0.9
89.06023	2.3
91.05485	2.4
92.20404	1.0
93.07029	1.6
95.08614	21.1
97.10175	6.4
98.98467	39.6
107.08571	1.6
109.10160	30.4
111.11755	1.4
119.08588	2.6
121.10212	1.7
123.11687	3.3
128.26462	1.2
137.00023	3.9
139.79733	1.2
155.01039	43.8
155.10652	1.8
167.83919	1.2
173.11708	8.1
211.03667	2.7
229.04730	2.4
239.23763	6.5
246.15901	1.5
257.24838	1.6
283.17725	1.3
313.27359	100.0
314.37430	1.3
393.24243	3.3
449.26666	16.2
467.30710	2.7
467.37326	41.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	466.4105
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	5.6
57.03425	4.6
57.06798	5.1
57.07076	100.0
59.05003	73.8
62.20301	2.3
67.05500	10.4
68.79970	2.2
69.07068	4.2
71.08633	90.2
71.22524	2.7
71.22868	3.3
81.07051	3.0
83.08629	5.2
85.10184	80.7
95.08591	2.3
95.63666	2.3
97.10160	2.4
99.11712	9.3
101.09672	3.7
109.10169	10.0
117.09131	21.8
141.16341	7.0
158.89041	3.1
175.13330	7.1
199.20540	23.6
240.23131	2.6
257.24722	26.7
449.38477	7.1
466.36008	5.4
467.37234	8.4
472.93961	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	466.3164
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	0.6
57.06796	0.4
57.07074	5.9
58.06594	1.7
64.67899	0.3
65.03941	1.9
66.57879	0.3
67.05487	0.9
68.05014	0.4
69.03400	0.4
69.07068	0.4
69.43230	0.3
70.06591	14.3
70.64130	0.7
70.64483	0.5
71.08636	2.4
71.30566	0.3
71.61948	0.3
75.48192	0.3
77.73871	0.3
81.07042	0.9
85.10181	0.6
88.07630	17.7
93.07027	0.4
95.08577	0.3
96.33232	0.3
102.09180	13.3
102.47767	0.3
103.01826	0.3
105.07001	0.4
107.04960	0.3
107.08601	0.3
109.10130	0.5
119.66509	0.3
121.02854	1.0
125.09406	0.3
132.10193	0.3
139.03908	1.1
149.02345	46.7
149.03413	2.7
193.04964	49.8
212.23648	0.4
229.48552	0.3
237.07570	58.0
238.07861	0.6
256.26352	39.9
300.29077	1.5
302.41724	0.4
306.81067	0.3
466.31650	100.0
467.31866	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	466.265
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.8
55.05507	1.1
57.03440	2.9
57.07078	0.6
59.05011	0.4
60.04537	0.7
61.69981	0.4
65.03936	0.4
67.05507	3.0
69.03428	10.2
69.07063	1.7
73.02920	1.1
79.05494	7.2
81.03426	0.8
81.07059	100.0
82.07423	0.6
83.04971	0.8
85.02908	7.8
86.09681	0.4
87.04465	6.7
91.05495	0.7
93.07053	1.3
95.04996	0.7
95.08611	11.1
97.02892	9.1
97.06535	0.5
98.21555	0.6
99.04462	0.7
105.07034	0.6
107.08588	1.1
109.02851	0.6
109.10164	1.3
115.03936	12.9
119.08598	0.9
121.06515	1.8
121.36662	0.3
127.03913	1.6
131.08617	0.5
132.36333	0.5
133.04976	14.9
133.06003	0.9
133.10121	0.4
135.11740	0.5
137.13261	23.8
139.03983	0.5
145.04965	2.2
145.10153	0.4
150.07611	3.0
157.10205	0.5
159.08054	0.5
175.03964	0.5
175.05815	0.4
177.12692	0.6
184.07390	0.4
219.14160	0.6
241.07101	0.9
250.18105	0.7
259.08157	0.6
295.10428	0.5
343.74780	0.4
466.19626	0.6
466.30899	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	466.265
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03960	1.4
55.01877	2.0
55.05505	4.5
57.03440	8.7
57.07073	0.8
61.02925	3.2
67.05506	21.6
69.03436	11.6
69.07068	9.2
70.06590	1.5
70.21748	0.7
71.01355	1.0
71.04985	2.5
73.02909	1.6
79.05494	11.0
81.03410	2.9
81.07056	33.0
82.07403	1.0
83.04982	3.2
83.08616	5.5
85.02908	9.5
85.06532	2.8
87.04462	5.5
91.05487	9.1
93.07046	22.7
95.04990	2.6
95.08610	11.9
97.02891	8.1
97.06524	5.2
97.10171	1.0
99.08122	2.5
105.07030	4.5
107.04985	1.5
107.08591	12.6
108.66051	0.8
109.02875	1.3
109.06529	1.7
109.10178	3.6
111.08093	2.5
111.11718	1.9
115.03934	10.7
117.07017	2.8
119.08591	3.3
121.06499	7.3
121.10149	7.3
123.04433	1.6
123.08091	0.8
123.11697	1.5
127.03900	1.9
131.08562	3.3
133.04980	10.1
133.10136	4.2
135.08118	1.0
135.11699	3.9
137.13240	2.5
137.87817	0.8
139.03792	1.4
139.11145	0.8
143.08562	1.0
145.04962	1.4
145.10078	1.1
147.11736	1.7
149.12074	1.0
149.13263	16.0
150.07690	1.3
151.03886	0.9
153.12796	1.0
155.14331	1.7
157.10040	0.8
159.11694	7.4
161.13354	0.9
163.03929	1.6
164.04265	1.5
165.12630	0.9
175.11359	1.2
177.12756	4.2
195.13795	6.5
221.15437	0.9
250.18103	1.6
251.16374	1.0
269.17480	100.0
270.18008	1.2
287.18689	1.4
410.99597	0.8
466.19458	1.6
466.25546	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	466.2651
Annotation	Unknow
Peak:m/z	Relative Intensity
51.50312	0.4
53.03944	1.1
55.01864	1.4
55.05510	0.5
57.03438	3.2
57.07066	1.7
61.02925	2.2
67.05510	2.9
69.03432	5.6
69.07072	2.4
70.00557	1.3
70.00964	0.8
71.01366	0.5
71.04957	0.4
71.55517	0.3
73.02919	10.8
79.05495	7.9
81.03425	1.5
81.07056	100.0
85.02905	18.6
87.04469	0.5
91.03954	0.6
93.07070	0.8
95.08609	14.9
97.02896	12.1
98.21394	0.6
99.04485	1.0
103.03955	0.6
107.08598	0.5
109.02902	1.9
109.10157	0.9
115.03925	6.2
127.03920	6.9
133.04977	9.8
137.13260	23.7
145.04958	9.5
145.06020	0.7
150.07675	0.5
154.15894	0.7
163.05998	5.7
163.07191	0.4
193.04854	0.5
217.07094	0.6
223.06091	1.6
241.07060	2.1
259.08148	4.2
277.09161	1.0
295.10150	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	465.2461
Annotation	Chagreslactone
Peak:m/z	Relative Intensity
55.05499	0.7
56.96567	1.0
67.05517	3.0
69.03431	0.8
69.07050	1.5
69.47784	3.8
73.02907	0.5
79.05482	1.4
81.03418	1.0
81.07063	2.6
82.30760	0.5
83.08598	0.8
91.05474	2.1
92.05840	0.7
93.07037	1.7
95.04953	0.9
95.08610	1.1
97.10154	0.9
105.06986	0.8
107.08578	0.9
109.10161	1.5
119.08597	1.5
121.10116	0.8
133.10147	0.7
147.11673	0.8
157.27736	0.5
157.67365	0.5
158.25090	0.5
161.37567	0.5
171.02641	5.5
229.07510	0.9
243.08968	0.6
247.08554	0.7
277.44907	0.6
293.26135	0.7
303.05069	1.1
317.20856	16.5
326.27734	0.5
335.21295	2.0
353.21912	0.8
391.27701	0.6
405.22513	1.7
465.24576	100.0
466.24890	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1619
Annotation	Phlorigidoside B
Peak:m/z	Relative Intensity
51.07185	0.2
51.07478	0.2
53.67086	0.2
61.02919	0.2
63.46452	0.2
68.05782	0.1
69.03400	0.5
70.06542	0.3
70.55060	0.2
70.55397	0.4
81.03400	0.2
82.44753	0.1
83.06107	18.4
85.02909	1.1
95.77768	0.2
97.02864	0.3
105.07076	0.2
111.05550	0.4
117.06924	0.1
120.13461	0.1
127.03923	0.2
135.04396	0.3
136.03990	0.6
137.02298	0.2
146.65936	0.2
163.03917	0.2
177.06577	0.7
180.73581	0.2
205.06105	0.3
216.04095	0.4
218.09258	3.0
219.07800	0.2
229.04971	0.2
231.06418	2.1
246.08745	26.8
262.55157	0.2
288.08548	0.3
302.09976	0.2
303.05096	4.1
303.10870	100.0
304.11209	1.2
433.43600	0.2
465.16214	35.6
466.16458	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1032
Annotation	quercetin-3-O-beta-glucopyranoside
Peak:m/z	Relative Intensity
53.03940	0.6
55.01867	0.6
57.03445	0.9
59.04998	0.3
61.02926	1.7
61.67301	0.1
65.03938	0.3
67.05480	0.3
68.99800	0.7
69.03432	3.7
69.07060	0.3
70.06603	2.3
70.85320	0.4
71.04987	0.4
71.08562	0.2
72.08139	0.3
73.02908	0.7
74.06087	0.2
74.80721	0.2
81.03423	2.7
81.07047	0.4
82.26670	0.2
83.06097	0.3
83.08591	0.3
84.08153	0.2
85.02910	9.9
86.09689	0.3
87.04456	0.6
91.03935	0.8
91.05466	0.5
93.03405	0.4
93.07058	0.4
95.04968	0.6
95.08613	0.2
97.02893	4.0
98.97562	0.2
99.04452	0.7
100.07646	0.2
105.07027	0.4
107.04955	0.3
107.08599	0.3
109.02886	1.6
109.10175	0.2
111.00802	1.0
113.09647	0.3
115.03931	0.6
119.04917	0.2
121.02869	1.0
121.06456	0.2
123.04406	0.6
126.39493	0.2
127.03928	1.9
131.04955	0.3
133.04971	0.3
135.04401	0.2
135.11774	0.2
136.07635	0.3
137.01360	0.3
137.02347	3.7
137.03421	0.4
139.03935	0.2
145.02867	0.5
145.04951	1.9
147.04388	0.2
149.02333	0.4
149.09590	0.2
153.01826	4.2
153.12749	0.5
155.04927	0.3
161.05983	0.4
163.03918	0.8
165.01845	2.1
166.02602	0.3
171.13811	0.4
173.05989	0.5
177.05501	0.5
179.03391	0.3
183.02895	0.9
183.04358	0.3
187.03999	0.4
193.12234	0.8
195.02766	0.2
201.05473	1.9
213.05560	0.4
213.14807	0.2
219.06534	0.3
228.04124	0.2
229.04984	4.8
241.08574	0.3
245.04341	0.2
247.06117	0.9
257.04446	2.6
267.15881	0.7
274.04718	0.7
285.03989	0.9
285.16907	0.7
303.04996	100.0
304.05292	0.5
315.04877	0.4
345.05823	0.3
369.05783	0.2
390.68750	0.2
407.22345	0.3
407.55765	0.2
410.73727	0.2
432.98438	0.2
447.17352	0.2
465.23358	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1032
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	0.6
55.05508	0.5
56.96570	0.3
57.03430	0.3
59.35493	0.2
61.02924	0.4
63.22637	0.2
65.03953	0.4
67.05492	0.9
69.03427	0.9
69.07062	0.9
70.06571	0.4
71.01366	0.3
71.04974	0.4
71.52303	0.3
72.08151	0.3
73.02923	0.4
77.53971	0.2
79.05479	1.0
81.03427	0.5
81.07045	1.1
83.04996	0.5
83.08591	0.4
84.08113	0.3
85.02923	1.3
85.06535	0.3
89.03899	0.4
91.05453	1.2
93.07056	1.6
95.01347	0.3
95.04951	0.6
95.08598	1.0
97.02903	1.5
97.06535	0.5
105.03384	0.3
105.07032	1.7
107.04924	0.4
107.08603	0.7
109.02879	0.3
109.10154	0.7
111.04456	0.6
111.08090	1.8
117.03429	0.3
117.07027	0.5
119.04931	0.3
119.08571	0.9
121.02886	0.4
121.06512	1.1
121.10152	0.4
123.04414	0.5
123.08090	0.3
129.07007	0.3
131.08571	0.8
133.02843	0.3
133.06514	0.3
133.10130	0.6
135.04413	1.0
135.08026	0.3
137.09587	0.3
139.03909	0.7
141.01787	0.3
143.08598	0.3
144.09355	0.4
145.02847	0.7
145.06502	0.5
145.10133	2.2
147.04576	0.2
147.11661	0.4
149.09651	0.4
153.01825	0.7
155.08583	0.4
157.10069	0.6
158.07181	0.3
159.08063	0.5
159.11676	1.2
163.03926	3.7
163.11276	0.3
164.04271	1.7
167.03397	0.8
169.10173	0.6
171.11755	0.5
173.09657	0.8
175.14853	0.3
177.05519	0.4
185.13248	0.3
187.03951	1.0
187.11232	2.0
193.04958	4.0
201.05478	0.7
205.04932	0.6
215.03404	1.0
215.10655	1.5
217.05069	1.4
228.04198	1.9
229.05029	0.8
232.03600	0.3
233.04449	3.4
244.03801	0.3
245.04468	1.8
246.05290	3.4
256.03708	2.8
257.04453	2.8
258.05200	0.3
260.03323	1.3
260.66769	0.3
261.03876	0.5
273.03931	1.5
274.04742	13.1
275.05515	0.8
279.04907	0.3
285.04041	1.2
287.20038	0.8
288.02670	0.5
289.14307	0.6
297.03659	0.3
303.05002	100.0
304.05405	1.0
307.15170	0.3
421.32126	0.3
465.13437	0.8
465.18900	1.0
465.29486	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1033
Annotation	quercetin-3-O-beta-glucopyranoside
Peak:m/z	Relative Intensity
53.03944	0.5
55.01878	0.5
55.05483	0.1
57.03437	0.8
59.04987	0.2
61.02928	1.5
65.03935	0.2
67.01871	0.1
67.05505	0.3
68.99788	0.8
69.03432	3.7
69.07082	0.1
69.20035	0.4
69.20464	0.6
69.87421	0.1
70.06576	0.5
70.06912	0.1
71.04984	0.4
72.08147	0.4
73.02900	0.4
81.02982	0.2
81.03414	1.9
81.07073	0.2
83.01317	0.2
84.08162	0.1
85.02908	10.2
86.09710	0.3
87.04456	0.3
91.03952	0.7
91.05464	0.2
93.03408	0.3
93.07028	0.1
95.04962	0.3
97.02892	3.6
98.21460	0.2
99.04469	0.7
104.09617	0.1
105.03445	0.1
105.07016	0.2
107.08562	0.1
109.02882	1.3
109.10170	0.1
110.03656	0.1
111.00793	1.0
111.04500	0.1
113.71264	0.1
115.03948	0.2
117.06997	0.1
119.04981	0.1
120.08107	0.3
121.02893	1.1
123.04431	0.5
124.07586	0.1
124.24164	0.1
127.03921	2.2
129.07002	0.2
131.04890	0.1
133.06154	0.1
135.04442	0.3
136.07564	0.2
137.02342	3.5
137.03406	0.2
137.05981	0.1
139.03946	0.2
145.04968	1.8
145.06491	0.2
149.02312	0.5
151.03929	0.2
153.01834	4.3
155.04909	0.2
159.04445	0.1
161.05986	0.4
163.03899	1.1
165.01836	1.8
166.02612	0.2
173.05983	0.6
177.01732	0.1
177.05530	0.1
181.08606	0.4
182.08960	0.3
183.02885	0.7
183.04440	0.3
187.03908	0.4
189.05519	0.2
191.03419	0.2
195.02887	0.3
201.05476	2.1
203.03357	0.1
205.04903	0.2
207.11250	0.2
211.03862	0.2
213.05432	0.3
213.09122	0.2
215.03467	0.2
215.07002	0.3
219.02971	0.2
219.06526	0.3
228.04196	0.3
229.04979	5.2
232.04025	0.2
233.04611	0.2
239.03471	0.2
241.08458	0.2
246.05388	0.1
247.06038	0.6
257.04465	3.0
273.07480	0.2
274.04816	0.9
275.05371	0.2
285.03979	1.3
303.04996	100.0
304.05405	0.8
315.04816	0.3
329.79852	0.1
341.06793	0.1
345.06042	0.3
355.04385	0.2
369.06479	0.1
412.86026	0.1
464.78848	0.2
465.16406	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	465.1028
Annotation	Quercetin-3-O-beta-D-galactoside
Peak:m/z	Relative Intensity
53.03929	0.7
55.01858	0.7
57.03438	1.0
61.02931	1.6
68.99788	0.6
69.03096	0.2
69.03431	3.2
70.07238	0.8
70.07597	0.2
71.04993	0.4
73.02920	0.3
77.81089	0.2
81.03422	1.7
85.02905	9.3
87.04464	0.5
88.08807	0.2
91.03905	0.5
93.03387	0.4
95.04958	0.2
97.02888	3.5
98.21461	0.2
99.04433	0.4
109.02874	1.5
111.00797	1.2
118.41518	0.2
121.02834	0.9
123.04439	0.3
127.03916	1.8
131.35626	0.2
137.02345	3.7
145.04941	2.0
149.02342	0.3
153.01837	4.0
155.04851	0.4
161.05951	0.4
163.03891	0.6
165.01840	2.3
173.06006	0.6
183.02843	0.6
183.04323	0.2
187.03860	0.6
188.92784	0.2
191.03279	0.3
201.05385	2.1
205.05032	0.2
211.03775	0.2
213.05470	0.3
221.32574	0.2
227.64807	0.2
229.04968	5.1
238.16095	0.3
238.66196	0.4
247.06020	0.7
257.04440	2.9
274.04779	0.9
275.05551	0.4
285.04071	1.2
303.04980	100.0
304.05435	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	464.2494
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	2.6
56.96542	1.5
61.10529	1.4
67.05506	3.3
69.03429	2.2
69.07069	2.6
69.31455	4.0
69.31865	8.6
70.06617	2.7
71.04993	9.0
71.26409	1.4
72.08166	1.9
79.05498	2.2
81.03414	3.4
81.07066	10.2
85.02910	5.2
87.00858	1.7
91.05498	3.3
93.07053	10.5
95.08602	4.6
97.02874	3.2
97.06561	2.0
105.01873	1.7
105.06966	1.9
107.08601	7.0
109.10171	4.8
119.08629	3.3
121.06520	1.6
121.10107	2.2
127.03931	2.7
131.08551	1.5
135.11699	12.1
138.05515	29.1
139.03998	1.8
147.04440	1.6
153.12753	100.0
163.03935	4.1
181.12196	1.9
182.88213	1.7
204.62500	1.6
206.04411	1.7
211.32616	1.6
251.00652	1.4
386.23242	1.7
432.23785	3.9
446.25461	3.1
464.25931	6.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1033
Annotation	quercetin-3-O-beta-glucopyranoside
Peak:m/z	Relative Intensity
51.54636	0.1
51.76300	0.1
53.03949	0.5
55.01871	0.7
55.05511	0.2
56.81718	0.1
57.03436	1.0
59.04995	0.1
61.02653	0.1
61.02930	1.8
65.03930	0.2
66.15179	0.1
67.05489	0.3
68.99783	0.7
69.03431	3.6
69.07048	0.1
70.06584	0.5
71.04633	0.1
71.04993	0.5
71.52838	0.1
72.08154	0.3
73.02915	0.7
79.05494	0.2
81.03419	1.9
81.07043	0.3
83.01348	0.2
83.04966	0.2
83.06063	0.1
84.08128	0.1
85.02908	10.0
86.09676	0.3
87.04449	0.4
91.03945	0.6
91.05470	0.3
93.03402	0.4
93.07053	0.3
95.04969	0.5
95.08584	0.1
97.02894	4.0
97.03525	0.2
97.06487	0.1
99.04442	0.5
105.07007	0.1
107.04957	0.2
107.08558	0.2
109.02882	1.5
109.10149	0.2
111.00796	0.9
111.04475	0.2
115.03899	0.3
117.07038	0.2
119.04984	0.1
119.08562	0.2
120.08114	0.4
121.02871	1.1
121.10127	0.1
123.04443	0.5
123.08099	0.1
127.03924	2.1
129.06961	0.1
131.04909	0.1
133.04974	0.1
133.10109	0.1
135.04404	0.3
135.08083	0.2
135.11757	0.1
136.07550	0.1
137.02347	3.8
137.03381	0.2
137.05931	0.2
138.59911	0.1
139.03912	0.2
145.02869	0.2
145.04958	1.7
145.06291	0.2
145.06462	0.2
145.10089	0.1
147.04367	0.1
148.07521	0.3
149.02373	0.4
151.03899	0.3
153.01830	4.4
155.04921	0.2
159.04427	0.1
159.10139	0.1
161.02261	0.1
161.05997	0.4
163.03937	1.0
165.01840	2.2
166.02632	0.3
169.06387	0.1
173.05980	0.7
177.05466	0.3
179.03412	0.2
181.08601	0.5
182.08885	0.5
183.02878	1.0
183.04463	0.3
187.03920	0.4
191.03400	0.2
191.07036	0.1
194.43402	0.1
195.02939	0.3
195.06496	0.1
200.04700	0.2
201.05475	2.3
201.07214	0.2
205.04924	0.2
211.04005	0.2
213.05484	0.2
213.09058	0.2
215.03468	0.2
215.07018	0.4
217.08665	0.1
219.02972	0.1
219.06482	0.3
228.04153	0.2
229.04968	5.2
233.04385	0.3
239.03458	0.2
241.08772	0.2
243.09979	0.1
244.58455	0.1
246.05322	0.1
246.08714	0.1
247.06049	0.8
257.04468	2.8
267.15991	0.1
273.07700	0.2
274.04758	0.8
275.05472	0.4
278.10419	0.1
280.11868	0.3
285.04028	1.3
285.08954	0.1
286.04483	0.1
287.05460	0.1
299.05310	0.1
303.04990	100.0
304.05316	0.8
309.03876	0.1
313.14935	0.1
315.04965	0.4
345.05923	0.5
355.04541	0.3
464.79056	0.2
465.16202	0.4
465.22971	0.2
465.29114	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.378
Annotation	Sarcophyton polyhydroxysterol
Peak:m/z	Relative Intensity
51.10970	2.5
52.45414	3.0
55.05496	11.8
55.55618	2.7
56.12826	2.5
57.07077	40.0
65.64817	2.8
67.05509	6.3
69.07072	23.2
71.08636	27.7
71.27970	6.4
79.05473	3.1
81.07053	23.5
83.08613	15.6
85.10184	14.6
93.07046	9.3
95.08601	22.4
97.10167	11.6
105.07038	8.3
107.08573	6.5
109.06518	13.5
109.10158	14.5
111.08103	4.2
111.11700	5.1
117.39316	2.8
119.08544	4.4
121.10135	5.3
123.08076	10.6
125.06002	13.6
127.07568	41.1
131.08527	3.6
133.10115	3.4
137.05972	7.5
137.09596	3.1
138.17070	2.9
139.07542	100.0
147.11688	5.5
149.05933	3.5
151.07520	8.6
157.10056	2.8
163.07565	5.5
165.09055	4.6
167.06987	7.5
173.09389	2.9
177.09142	14.0
179.10649	5.4
189.12804	3.0
193.12248	3.7
207.48267	3.2
249.18538	3.5
301.28818	5.7
319.29990	10.4
347.33084	10.8
373.30630	6.1
393.38168	3.6
403.35257	3.3
417.37314	17.1
427.35587	9.2
445.36746	84.4
463.37875	78.6
474.14044	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.2304
Annotation	Debromosceptrin
Peak:m/z	Relative Intensity
53.03940	0.6
55.01869	0.9
55.05523	2.0
56.96558	1.0
57.03440	1.0
61.02929	0.9
61.15869	0.4
67.05511	5.0
69.03422	1.0
69.07069	2.6
71.04986	0.8
71.52286	0.6
73.02910	0.4
77.25488	0.4
79.05502	4.4
81.03406	1.8
81.07055	3.9
83.04961	1.1
83.08600	1.2
85.02904	1.1
90.85104	0.5
91.05465	3.1
93.07044	4.1
95.04961	1.6
95.08627	2.3
97.02894	0.6
97.06517	0.9
97.10171	2.2
99.08094	0.5
105.07048	2.3
107.04958	2.0
107.08586	2.3
109.06505	0.9
109.10136	1.8
111.08057	0.6
114.47179	0.4
117.06992	1.4
119.08627	1.0
119.63417	0.4
121.06487	0.8
121.10152	1.3
125.09617	1.4
131.08563	1.2
133.06081	0.6
133.10115	1.2
135.08025	0.6
135.11670	1.6
143.08606	0.5
145.06531	0.5
145.10165	1.4
147.11717	0.6
149.09608	0.4
149.13231	0.6
157.10129	0.6
163.11174	1.7
171.02644	4.7
173.11794	0.8
173.70155	0.4
181.12227	0.5
199.06404	0.5
209.11800	0.5
219.13783	6.0
225.16327	0.5
227.12775	3.9
229.07491	0.6
253.14282	0.7
258.82858	0.5
267.09009	0.5
315.19324	10.0
333.19846	3.0
356.20331	0.6
371.21756	0.6
375.52780	0.5
403.20837	1.2
445.25854	3.7
463.22931	100.0
464.23297	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.179
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.5
53.19571	1.0
55.05495	3.5
56.96552	3.6
57.03427	2.4
58.50805	1.0
61.02921	1.4
61.80678	1.0
63.88375	0.9
67.05481	4.0
69.03405	4.2
70.06576	3.1
70.66943	1.4
70.67299	2.8
73.02924	1.7
74.63715	1.0
77.82290	1.1
78.04703	1.3
79.05474	3.8
81.03381	3.2
81.07024	3.0
83.04980	1.6
84.04516	1.9
84.08109	1.5
84.96041	1.5
85.02914	5.7
85.64066	1.1
86.09676	1.5
87.04478	2.1
89.03921	5.2
90.05535	1.0
91.05458	2.9
93.07027	2.7
94.70517	1.1
95.04959	2.3
95.08598	1.6
97.02915	6.0
98.20728	1.1
98.97594	15.4
99.04467	1.3
105.03391	8.4
105.06984	2.4
107.08569	2.6
109.10131	3.9
115.03928	1.5
116.98598	4.6
117.03405	10.0
119.08585	3.2
121.02832	1.1
121.10133	1.8
123.04415	3.2
123.08021	1.7
124.99100	1.6
125.09608	1.9
127.03899	2.7
131.08557	1.1
133.04922	1.8
135.11713	1.3
137.09552	2.0
139.03859	6.1
140.04248	1.2
143.00116	3.2
145.02834	21.3
146.06036	10.8
147.04427	1.6
147.11650	1.2
149.06000	3.0
151.03912	5.3
158.99628	2.1
161.01256	1.2
163.03885	2.2
169.04970	46.0
170.99643	3.0
177.00630	1.5
177.05486	38.1
178.03636	1.1
178.05791	2.1
179.00108	1.3
179.07039	1.5
181.04987	3.3
182.99600	3.0
189.00633	1.6
191.02451	1.1
193.04941	1.9
197.01375	1.3
201.00728	4.3
208.04926	2.3
209.11790	1.4
211.06026	4.9
215.12566	19.9
219.01723	4.2
229.14246	1.7
231.01733	1.7
242.08118	1.9
243.12059	10.5
249.02769	5.3
257.13553	1.7
260.09305	1.7
265.07120	2.1
267.03827	1.2
279.09903	3.8
283.15378	1.7
285.54593	1.2
286.07309	1.4
288.28922	1.1
291.03818	5.1
295.04855	1.7
301.16293	1.2
310.44724	1.1
331.10098	2.4
359.16638	4.5
359.53854	1.2
366.15048	1.2
373.14084	1.5
377.17856	22.4
417.33273	1.1
419.18872	82.7
427.15054	1.7
437.14828	7.1
445.16211	1.3
463.17697	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.3623
Annotation	Phlomistetraol B
Peak:m/z	Relative Intensity
51.73212	3.6
53.03942	8.8
54.83753	3.4
55.05514	27.9
57.07060	12.8
59.04998	5.2
66.88527	3.8
67.05506	49.7
69.03438	7.2
69.07066	36.1
71.05014	18.6
71.08627	4.0
71.52739	5.4
79.05504	28.3
81.03417	13.4
81.07064	63.0
81.18860	3.6
83.08608	28.5
85.06516	9.4
91.05474	35.7
93.07048	76.1
95.04964	14.8
95.08612	66.6
97.06527	11.5
97.10160	17.5
98.05116	3.8
99.08093	7.6
104.96487	3.6
105.07025	53.6
107.04995	4.7
107.08597	98.8
109.06512	6.5
109.10165	69.6
111.08079	12.1
117.06998	6.2
119.08579	60.5
121.06510	7.3
121.10147	100.0
123.08073	5.6
123.11703	25.8
125.09652	33.5
127.11198	16.5
128.10713	4.3
129.07025	6.9
131.08565	17.0
133.06482	7.0
133.10138	69.5
135.08044	9.4
135.11681	50.6
137.09612	7.6
137.13275	15.9
139.07536	4.6
143.08566	10.5
143.10670	80.5
145.06451	7.8
145.10161	30.2
147.11700	41.5
149.09622	8.5
149.13246	47.9
150.39595	4.2
151.14879	3.7
153.09079	18.1
155.08588	5.3
157.10103	16.0
159.11693	31.7
161.09633	4.6
161.13263	40.3
163.14813	17.5
167.10704	9.2
169.10353	3.9
171.11736	9.2
173.11946	3.9
173.13290	17.4
175.11211	5.0
175.14832	16.0
177.16411	5.8
179.14316	3.7
181.12306	7.9
185.13234	8.5
187.14810	15.7
189.16435	18.5
192.18356	3.8
193.12086	6.4
199.14856	8.4
201.16405	36.7
203.18018	21.6
205.16016	5.1
207.17424	5.9
209.15176	4.7
213.16437	5.1
215.17999	6.7
217.16046	6.7
217.19379	6.9
219.17496	9.7
221.15460	4.4
221.19057	5.6
223.16971	9.4
229.19644	7.1
233.15317	4.4
233.19011	7.1
277.21902	4.4
327.26822	4.5
333.50500	4.2
334.31235	5.6
351.23163	8.1
355.26395	4.9
357.27905	4.2
361.17477	4.0
365.32114	8.3
369.24203	7.7
383.33124	13.3
387.25278	4.1
397.34485	5.6
401.34283	5.5
407.33054	29.9
425.34299	63.2
438.28778	4.1
443.28076	11.4
443.35550	10.9
461.28912	75.6
461.37000	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	461.3013
Annotation	Unknow
Peak:m/z	Relative Intensity
50.47840	0.2
55.05507	0.5
56.05031	4.0
57.03442	0.5
58.72953	0.2
67.05502	1.0
69.03432	1.1
69.07050	0.6
69.37405	0.2
70.06582	0.5
71.28575	0.3
79.05508	0.4
81.03423	0.5
81.07066	0.6
81.30856	0.3
82.06578	3.2
84.04498	0.5
84.08144	100.0
84.86836	0.2
85.02910	1.5
86.09700	4.8
87.04470	0.4
89.06024	0.7
91.05471	1.0
93.07047	0.8
95.04956	0.4
95.08617	0.5
96.04493	4.5
97.02846	1.3
97.06515	0.3
103.03939	0.4
105.07047	0.8
107.08603	0.6
109.10172	0.3
110.06027	0.4
115.03899	0.6
119.04964	0.3
119.08615	0.6
121.10166	0.4
123.04454	0.3
124.07613	0.3
127.03940	0.4
130.08652	1.0
131.08620	0.4
133.04980	0.6
133.10152	0.5
135.11732	0.3
137.06001	0.3
139.03883	1.0
143.08597	0.5
145.10037	0.3
147.04332	0.4
151.03894	0.3
157.10106	0.4
159.11731	0.4
161.13191	0.4
163.03922	1.2
164.04205	0.5
167.10544	0.3
171.11749	0.3
197.11694	0.4
197.13275	0.3
199.14828	0.3
201.12329	0.5
213.07431	0.3
217.01329	0.3
233.15018	0.6
239.47141	0.3
243.02727	0.4
247.02350	1.3
271.02585	0.5
314.21088	0.4
329.15906	0.4
332.22214	10.4
334.23807	0.3
341.06659	0.3
342.20535	0.6
344.22232	0.8
346.23831	1.2
370.27515	0.4
377.06589	0.3
380.25946	1.3
397.28467	4.8
398.26901	0.7
415.29568	8.9
443.29199	0.4
461.20230	15.0
461.30087	72.6
462.30441	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.29
Annotation	Unknow
Peak:m/z	Relative Intensity
52.76479	1.3
53.03932	3.5
55.01871	5.4
55.05276	1.6
55.05513	24.2
57.03439	6.3
57.07078	1.1
57.92755	1.0
65.03926	3.4
67.05505	44.1
69.03406	3.0
69.07066	13.0
69.20570	1.0
71.04981	3.2
71.22485	1.8
79.05492	38.3
81.02928	1.2
81.03413	18.8
81.06598	2.2
81.07057	36.3
83.04968	6.3
83.08238	1.2
83.08623	14.4
85.06525	3.1
91.05484	35.6
93.06483	1.9
93.07044	35.4
95.04964	19.7
95.08610	18.3
97.02905	1.5
97.06523	8.3
97.10168	12.9
98.08523	1.1
99.08065	1.6
103.05459	1.7
105.03375	2.1
105.04488	1.5
105.07032	28.7
107.04970	9.9
107.08599	20.7
109.06519	6.4
109.10162	12.7
111.08067	4.3
115.05418	2.8
115.07591	1.1
117.07018	17.5
119.04900	2.9
119.08574	18.6
121.06502	10.4
121.10145	11.4
123.08089	5.9
123.11697	2.4
125.05994	2.1
125.09634	8.5
127.07538	2.3
128.06192	2.7
129.07005	13.7
131.04942	3.0
131.08575	20.4
133.06479	8.2
133.10144	10.5
135.04362	1.4
135.08043	5.2
135.11714	9.8
137.09598	2.5
141.06982	3.1
142.07774	1.8
143.08562	10.9
145.06491	13.1
145.10121	10.3
147.08076	7.9
147.11726	7.9
149.09596	4.3
149.13248	6.4
153.09055	3.1
154.07767	1.3
155.08545	6.7
157.06462	1.9
157.10098	7.6
159.08018	4.7
159.11702	6.8
161.09628	4.5
161.13284	3.2
163.11139	3.8
169.10114	3.8
171.08060	3.6
171.11681	5.5
173.09676	2.3
173.13170	2.8
175.11182	3.2
177.12727	3.4
181.10101	2.6
183.08055	1.8
183.11655	3.5
185.09619	2.9
185.13210	3.9
187.11215	2.5
189.09183	2.1
189.11179	4.7
189.12697	2.4
193.12172	5.8
195.11638	2.3
195.13744	2.1
197.09564	1.6
197.13243	3.5
199.14810	3.2
201.12657	2.5
203.14326	1.8
205.12234	1.9
207.13776	4.0
209.13411	1.2
213.12804	2.5
215.14232	2.2
217.15891	8.3
221.13249	2.2
223.13188	2.4
225.12833	1.4
227.12631	2.4
231.13753	2.6
233.15387	1.7
236.33791	1.1
241.15846	1.1
249.14771	1.6
251.16394	1.6
257.15265	3.5
259.16769	1.1
260.99738	1.2
267.15875	2.4
271.16888	2.0
273.15427	1.1
273.18347	1.8
275.16333	1.9
285.18304	1.4
287.16281	1.8
333.22153	1.7
341.24673	2.7
343.22583	1.4
351.23160	13.0
369.24240	24.9
387.25174	10.4
389.24869	1.3
405.26373	1.3
407.29767	1.4
417.26279	2.3
425.26428	2.3
443.27777	29.4
461.28848	100.0
462.29553	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	461.29
Annotation	Hyperielliptone HB
Peak:m/z	Relative Intensity
50.42172	0.9
53.03934	3.7
55.01878	4.7
55.05278	1.2
55.05517	18.6
55.60301	1.1
57.03446	5.8
67.05510	35.6
69.03421	3.3
69.07067	10.0
69.14268	1.6
69.14674	8.9
71.04997	2.1
79.05495	29.1
79.82539	0.8
81.03423	18.0
81.07061	35.1
83.04980	4.0
83.08620	12.8
85.02861	1.0
85.06545	2.4
91.05489	29.0
93.07050	29.1
95.04979	20.0
95.08611	15.9
97.02891	1.3
97.06538	4.4
97.10175	8.9
98.20718	1.9
99.08114	1.5
103.05465	2.6
105.04527	1.2
105.07039	27.3
107.04970	8.2
107.08601	17.8
109.06514	3.4
109.10142	6.6
111.04479	0.9
111.08077	3.3
115.05454	3.3
116.06238	1.3
117.07024	14.0
119.04958	1.4
119.07811	1.3
119.08597	13.8
121.06529	11.3
121.10139	7.7
121.85089	1.0
123.08067	2.6
123.11708	0.9
125.06062	0.9
125.09614	7.3
127.03902	1.0
128.06256	2.7
129.07001	13.8
131.04926	2.7
131.08582	15.7
133.06497	6.7
133.10135	9.5
135.08060	4.1
135.11674	6.1
137.09566	1.1
141.06992	3.8
142.07765	2.0
143.08559	11.3
145.06494	12.0
145.10170	6.1
147.08057	6.6
147.11711	5.7
149.09628	3.5
149.13309	5.2
151.11319	1.1
153.09091	1.7
155.08577	7.2
157.06479	1.8
157.10159	7.0
159.08072	5.5
159.11700	5.6
161.09624	3.2
161.13274	1.3
163.11179	2.8
167.08621	1.5
169.10109	3.3
171.08083	3.2
171.11696	4.3
173.09749	2.3
173.13206	2.5
175.11247	3.3
177.12724	3.0
181.10139	2.6
183.08031	1.5
183.11681	3.1
185.09673	2.4
185.13322	2.9
187.11235	2.0
187.14832	1.9
189.09195	1.4
189.11221	3.7
193.10501	1.2
193.12247	6.9
195.11629	1.9
197.09697	1.1
197.13271	2.5
199.14870	3.5
201.12762	1.6
203.14336	2.4
205.12202	1.3
207.11768	1.2
207.13756	1.5
209.13275	1.6
213.12718	1.3
215.14297	2.1
217.15892	8.9
219.13820	1.3
223.13077	1.5
223.15009	1.4
224.55925	1.0
225.34935	1.1
227.12729	2.3
233.15498	1.1
239.14383	1.4
241.15916	1.2
249.14861	1.6
257.15372	2.6
267.15768	1.4
271.17062	1.9
273.18564	1.6
275.16415	1.6
333.22174	3.1
341.24915	3.3
349.45898	1.2
351.23242	11.4
369.24194	22.7
369.28540	1.7
387.25272	10.6
405.26508	2.7
417.26419	3.5
423.71918	1.0
425.26752	2.0
443.27927	32.5
443.33997	2.0
461.28995	100.0
462.29282	1.3
486.21960	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.2385
Annotation	Unknow
Peak:m/z	Relative Intensity
52.17924	0.9
53.03949	3.0
55.01864	1.5
55.05510	9.9
56.96565	1.1
57.03432	4.6
57.07058	1.1
60.88736	0.9
61.02915	1.7
65.03962	1.5
67.05177	1.7
67.05508	21.1
69.03429	2.4
69.07072	4.1
69.85351	4.5
71.04968	1.1
79.05495	25.6
81.03432	5.5
81.07057	22.1
83.04982	8.3
83.08611	3.1
84.04451	1.1
85.02890	4.4
85.06523	1.7
89.19273	1.0
90.98375	0.9
91.05486	20.6
91.87733	1.1
93.07050	24.5
95.04964	8.5
95.08623	11.5
97.02876	5.1
97.06561	2.0
97.10167	3.1
98.83846	1.1
98.97585	4.1
101.05989	1.1
105.07040	15.6
107.04951	2.7
107.08598	9.2
109.06515	3.4
109.10149	4.3
111.04480	1.0
111.08071	1.2
115.05450	1.1
116.98618	1.5
117.07027	4.4
119.08590	10.3
121.02841	1.7
121.06509	3.8
121.10154	4.0
123.04439	1.7
123.08093	3.5
123.11708	1.2
125.09644	1.2
127.07544	1.3
128.06178	1.1
129.07001	4.2
131.08569	2.8
133.06503	1.4
133.10150	5.8
135.08022	1.1
135.11696	2.6
137.09595	1.4
139.03894	1.2
143.08563	4.9
145.10150	5.5
147.08055	1.8
147.11684	15.3
149.09619	2.0
151.03923	3.9
151.07536	4.4
157.10138	1.8
158.99651	1.3
159.11606	1.7
161.09563	2.2
161.13295	6.1
163.11214	1.8
165.09120	3.1
171.11707	9.8
184.38051	1.2
189.12738	4.4
191.10681	3.3
193.01253	0.9
201.16513	1.0
205.12283	1.9
207.13780	8.2
251.83466	1.0
281.17484	100.0
337.16687	1.2
440.19022	1.4
461.28159	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.2383
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	12.9
55.01874	12.2
55.05270	1.8
55.05514	24.3
57.03440	13.7
57.07064	6.0
59.04993	4.9
59.59517	1.4
60.11889	1.5
61.02917	5.3
65.03964	1.4
66.15073	1.6
67.05515	10.7
68.99769	4.7
69.03434	66.8
69.07075	48.8
69.40045	9.2
71.05000	12.8
72.73017	1.4
73.02911	10.0
79.05489	6.8
81.03423	58.5
81.07058	29.4
83.04998	11.9
83.08636	8.6
85.02911	95.4
85.06548	19.8
87.00323	2.1
87.00837	37.1
87.04481	1.7
87.86717	1.5
91.03957	3.5
91.05476	4.2
93.07046	11.8
95.04978	1.8
95.08614	38.5
97.02897	34.1
97.06517	8.8
97.10176	10.1
99.04464	24.7
99.08099	31.6
103.05460	2.1
105.01868	30.5
105.07044	2.7
107.08602	26.8
109.02135	3.2
109.02887	65.5
109.10184	14.4
111.08083	5.7
111.11719	15.1
113.09632	11.7
115.03931	1.8
117.01849	7.5
119.08629	3.5
121.09331	2.0
121.10150	28.9
123.08034	2.4
123.11751	10.5
125.05981	1.9
125.09641	10.4
127.03924	100.0
127.11227	2.2
129.01831	5.8
131.04951	2.2
131.08514	1.8
133.10088	3.0
135.11699	15.2
137.13251	18.8
139.03894	2.1
139.11227	7.6
145.02818	1.4
145.04961	37.8
147.02873	6.4
149.13254	4.7
151.14783	4.2
153.12747	20.2
157.12274	1.5
159.02908	32.6
161.13179	1.6
163.03870	3.5
177.03879	1.9
177.16391	84.2
195.17456	86.3
201.16458	1.6
211.16861	1.9
213.03951	3.5
213.18506	85.3
231.05022	24.1
237.18434	2.0
249.06058	2.6
303.19293	1.7
322.57355	1.7
375.13461	1.7
425.21527	3.0
461.18829	1.8
461.23975	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	461.2382
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	5.8
55.01862	5.7
55.05510	13.9
55.58405	1.4
57.03421	5.5
57.07083	2.5
57.98619	1.4
59.04996	3.0
61.02916	4.8
67.05502	7.6
68.99802	1.6
69.03429	28.1
69.06728	2.1
69.07068	23.9
70.06577	1.9
71.04989	8.5
71.50578	1.5
71.52795	1.6
73.02921	3.4
75.80801	1.3
79.05498	5.4
81.03420	21.2
81.07055	21.2
83.01345	2.1
83.04986	8.3
83.08618	9.0
84.04493	2.0
84.08160	2.1
85.02901	42.6
85.06541	11.3
86.09700	2.6
87.00830	17.8
87.04473	1.5
87.30618	1.4
88.19152	1.4
91.05474	5.9
91.63827	1.3
93.07040	12.8
95.04980	2.3
95.08608	33.7
96.04433	1.3
97.02895	22.4
97.06514	3.8
97.10155	8.0
98.97585	2.8
99.04445	8.9
99.08091	18.2
101.02344	1.5
105.01873	13.8
105.07041	8.0
107.08590	28.4
109.02874	15.0
109.10167	14.0
111.08074	6.2
111.11714	2.9
113.09660	3.8
117.03344	1.3
117.32104	1.4
117.91606	1.4
119.08613	2.6
121.10143	40.9
123.04448	2.4
123.08095	1.6
123.11729	6.4
125.09650	6.7
127.03912	34.4
129.01848	1.5
131.08603	2.2
135.11685	13.5
137.06055	2.0
137.13255	12.0
139.03893	1.9
139.11192	3.3
145.04965	11.3
146.09595	2.2
149.13249	5.4
151.14821	2.3
153.12755	7.6
159.02887	7.8
159.11697	2.0
163.03928	3.2
167.07008	2.2
177.16386	100.0
185.13295	1.6
195.17448	44.8
213.18491	46.2
231.04971	8.7
401.17596	2.0
461.18491	3.0
461.23853	8.2
461.30881	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	461.1996
Annotation	Unknow
Peak:m/z	Relative Intensity
54.26107	0.3
55.05512	0.6
57.03421	0.6
61.82474	0.3
67.05489	1.0
69.03418	0.7
69.07066	0.6
70.06586	0.4
70.62722	0.9
71.04979	0.3
73.02925	0.8
79.05468	0.8
81.03442	0.7
81.07050	1.1
83.04982	0.4
85.02901	1.1
85.06530	0.4
91.05481	0.8
93.07046	1.1
95.04974	0.5
95.08605	1.3
97.02882	1.3
97.10194	0.4
98.97581	0.5
99.08119	0.3
105.07018	0.9
107.08620	0.7
109.02913	0.4
109.10163	1.0
111.08056	0.5
119.08587	0.8
121.10148	0.8
123.04450	0.4
123.11746	0.5
127.03922	1.0
131.08609	0.5
133.06149	0.5
133.10133	0.4
135.11688	0.7
139.03926	0.6
139.11212	0.3
140.10785	0.3
145.10263	0.4
147.11665	0.4
150.79047	0.3
151.03912	0.4
151.11215	0.3
163.03868	0.7
167.10562	0.4
171.02798	0.3
177.16382	0.8
185.04193	0.4
186.11266	0.7
199.14525	0.3
211.16989	0.4
229.06844	1.3
245.15009	0.5
293.21124	1.2
317.08438	26.7
390.71481	0.4
443.26443	0.4
461.19958	100.0
462.20291	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	460.2908
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	3.1
55.01878	2.2
55.05515	7.2
57.01384	0.9
57.03431	2.3
57.07073	3.0
61.02926	2.9
67.05510	21.9
69.03426	2.7
69.07072	10.2
71.04963	1.6
71.08629	6.3
71.38503	0.9
74.34863	0.9
74.97272	1.0
79.05495	13.6
81.03422	11.9
81.07065	16.4
83.04985	4.4
83.08611	2.9
85.02905	4.5
85.06544	2.5
89.02402	1.5
90.32341	1.0
91.05504	6.7
93.07050	16.1
95.04984	8.7
95.08605	13.8
97.06533	2.3
97.10175	2.8
98.20702	2.0
99.08110	3.3
103.03936	2.5
105.07043	5.8
107.08595	10.6
109.06516	2.4
109.10170	9.8
117.07028	2.1
119.08602	7.0
121.06501	1.2
121.10143	8.9
123.08070	1.7
123.11732	2.1
125.09686	1.3
129.07036	1.4
131.08537	2.0
133.10149	3.3
135.11696	6.9
137.09633	10.6
139.11223	2.9
145.10144	1.6
147.11682	3.2
149.13239	3.4
151.11169	8.6
157.10143	1.3
159.11716	1.9
161.09650	1.3
161.13261	2.9
163.11198	1.3
165.12761	1.8
171.11742	1.5
173.13274	1.5
175.11143	1.2
175.14847	1.7
177.12766	1.2
179.14362	2.3
185.13153	1.1
191.14337	1.4
193.15849	1.2
221.15343	2.8
249.22322	1.2
259.20633	1.1
277.21649	68.3
278.21851	1.1
285.98218	1.1
295.22693	100.0
296.22955	2.0
460.27451	1.7
460.35022	1.9
461.28806	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	460.1579
Annotation	Unknow
Peak:m/z	Relative Intensity
59.08729	0.7
60.04512	2.8
62.28644	0.6
69.03370	0.7
69.90582	3.2
70.06598	1.1
72.08140	2.5
82.02921	0.8
83.06161	1.1
84.04472	0.7
85.02896	1.1
86.03539	1.0
88.03996	1.5
98.97578	0.9
106.05034	3.4
108.86919	0.8
118.64304	0.6
120.04473	8.4
126.06641	5.7
131.27061	0.6
132.04469	11.5
133.05075	0.8
134.04469	1.0
134.06052	1.1
135.04440	1.3
136.07520	0.9
137.04648	1.3
141.77866	0.6
145.02943	0.8
145.03983	2.4
146.02335	1.3
148.11194	0.7
151.06145	2.3
158.06030	3.2
163.03902	9.0
164.04248	1.2
165.12300	0.7
177.15947	0.6
194.06754	2.8
200.08220	0.8
201.06631	4.8
202.09793	1.0
208.00571	1.0
218.09261	1.0
228.07683	29.6
237.02901	1.0
245.10388	5.0
259.30637	0.7
270.09860	15.2
275.14349	0.7
278.71335	0.6
288.10889	8.8
313.06802	1.1
313.10425	20.4
331.11508	100.0
332.11804	1.6
429.60480	0.7
442.14948	1.2
460.15823	20.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	460.1428
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04994	0.9
67.05470	0.5
69.03426	0.8
69.14855	2.1
69.15278	2.2
70.06573	1.0
72.08137	1.0
79.05483	0.7
79.37279	0.4
81.03430	0.5
81.07034	1.1
85.02882	1.6
91.05476	1.2
93.07032	0.7
95.08601	1.0
96.04499	3.5
97.02877	1.5
99.50817	0.4
105.07053	1.2
107.08633	0.5
119.08622	0.4
121.06534	0.7
123.04403	0.6
124.03948	0.6
125.09549	0.5
131.04805	0.5
131.08542	1.1
133.10153	0.5
136.07596	0.9
145.04933	0.5
146.07288	1.7
147.04414	0.5
150.12665	0.4
151.03932	1.3
163.03918	1.1
177.09111	5.2
178.07767	3.5
179.08623	0.4
189.07042	1.0
190.07765	1.2
191.08530	1.1
193.04958	2.1
205.06532	1.3
206.07339	3.5
207.08041	1.5
212.12755	2.0
217.06525	0.7
218.07259	1.6
219.08081	2.7
219.10095	1.1
220.08864	0.7
221.06171	0.6
221.09650	7.8
222.06738	0.6
223.07596	0.7
233.09688	0.9
234.06718	8.2
235.07567	9.5
236.08295	1.1
237.09111	0.8
246.06822	0.7
247.07518	2.2
248.08295	1.5
249.09122	23.2
250.06265	0.7
250.09912	2.5
251.06981	1.5
253.08511	0.5
261.09103	1.8
262.06393	2.9
263.07031	19.4
264.07849	11.4
265.08591	3.9
266.09338	1.1
267.10162	0.5
268.08078	0.5
276.07843	2.1
277.08603	100.0
278.09338	12.1
279.06488	2.9
279.10101	3.0
280.07263	1.0
281.11960	0.7
289.08820	1.0
290.09448	0.9
291.06778	0.5
291.10172	1.5
293.08231	0.7
294.08902	1.9
295.09641	5.1
297.05676	1.0
297.11166	0.7
307.09656	22.3
308.10309	1.9
309.11212	83.8
310.11612	1.0
321.11267	1.4
339.12277	26.6
340.12781	0.6
341.08453	3.8
460.14233	6.9
460.26904	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.3835
Annotation	Longispinogenin
Peak:m/z	Relative Intensity
50.37287	1.1
53.03946	2.6
53.41178	1.1
55.01865	2.1
55.05302	1.0
55.05516	9.8
57.03424	3.0
57.07066	4.9
59.04993	2.1
62.03382	1.0
65.03955	1.5
67.05505	13.5
69.03431	7.0
69.07069	12.3
71.04997	29.9
71.08637	1.4
71.37731	1.6
71.38081	1.7
73.06554	4.2
79.05497	11.9
81.03420	5.8
81.07061	27.0
83.04973	5.2
83.08620	9.1
83.73164	1.1
85.02908	2.7
85.06550	13.7
91.05458	7.3
93.07048	21.1
95.04999	1.6
95.08612	34.6
97.02882	3.4
97.06539	6.4
97.10178	15.1
99.04408	1.6
99.08080	3.7
105.07040	16.8
107.04939	2.4
107.08601	46.1
109.02834	1.4
109.06490	2.2
109.10159	38.0
111.04487	1.5
111.08079	3.0
111.11738	2.0
113.09654	1.6
117.07018	1.7
119.08578	21.7
121.10149	29.4
123.08105	1.6
123.11732	11.3
125.06021	1.7
125.08768	2.2
125.09638	32.7
127.07577	8.5
127.11188	20.4
131.08569	7.5
133.10130	27.6
135.08052	1.4
135.11707	19.3
137.13245	7.1
143.10680	100.0
145.10144	10.4
147.11691	21.9
149.13287	12.3
153.09117	2.4
153.12750	3.1
157.10101	3.8
159.11732	12.5
161.13275	14.8
163.11177	3.3
163.14827	6.2
171.11711	3.5
173.09622	1.2
173.13220	7.9
175.14806	10.9
177.12614	1.4
177.16388	15.4
185.13208	3.7
187.14838	10.6
189.16380	12.8
191.10693	1.4
191.17934	3.9
199.14799	3.5
201.16377	12.8
203.17976	17.7
205.15944	2.9
205.19641	1.5
207.17519	2.7
209.11790	1.6
213.16362	4.3
215.17934	5.4
217.19499	5.0
219.17455	3.2
221.19032	3.2
227.12758	3.7
227.17899	2.3
229.19563	3.2
233.19023	5.7
239.17967	2.3
241.14429	1.4
241.19618	1.4
245.18962	1.4
247.20453	2.7
248.88797	1.4
253.19460	1.4
255.21089	2.1
257.12228	1.2
257.22568	1.4
267.21188	1.7
269.22690	1.7
273.22067	2.0
282.64569	1.3
297.25732	3.1
299.27307	2.3
311.26913	1.4
313.25244	1.7
315.26956	5.6
329.28369	2.6
337.28864	4.3
341.28519	2.2
405.35440	5.2
423.36276	52.8
424.36725	1.8
441.37659	24.0
459.22424	6.5
459.32922	6.4
459.38400	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	459.3469
Annotation	Topsentisterol C1
Peak:m/z	Relative Intensity
53.03937	2.4
55.01869	7.4
55.05512	18.6
57.03435	3.9
57.07065	4.4
59.04994	0.9
64.73878	0.9
67.05502	20.3
69.03419	4.0
69.07074	18.4
70.08084	2.3
70.08476	2.3
71.05001	5.5
72.08139	1.4
73.06557	2.4
75.60381	0.9
79.05494	14.3
81.03420	10.8
81.07053	21.1
82.07372	1.2
83.04978	15.4
83.08141	2.0
83.08617	24.2
85.02916	7.6
85.06538	14.7
86.03252	1.4
87.08131	1.1
91.05485	15.7
93.06477	2.1
93.07044	30.5
94.07388	1.0
95.04970	10.0
95.08610	26.9
96.08911	1.1
97.06530	4.6
97.10167	4.3
99.08089	10.5
101.05998	1.6
105.07029	16.1
107.04946	5.8
107.08595	19.7
109.06515	5.4
109.10157	24.0
111.08073	21.2
111.08785	1.8
113.09622	2.7
117.07022	6.1
119.08579	20.7
120.08059	1.3
121.06486	2.8
121.10146	17.8
123.08097	2.6
123.11724	5.2
125.05971	1.5
125.09615	7.0
125.36944	1.0
127.07545	6.2
127.11229	1.5
129.07024	3.5
129.09119	45.0
131.08574	9.4
133.06531	1.8
133.10129	17.6
135.08035	8.0
135.11705	8.3
137.09621	13.0
137.13257	2.3
141.06960	1.5
143.08556	3.1
145.06541	4.8
145.10138	12.2
147.08076	2.4
147.11681	10.6
149.09615	3.2
149.13249	3.4
151.07555	2.6
151.11118	1.2
153.09111	1.1
155.08594	2.0
155.10680	15.4
157.10135	4.1
159.08086	2.1
159.11708	9.3
161.09587	2.2
161.13245	5.7
163.11177	3.3
163.14819	3.3
165.09189	1.8
169.10168	2.2
171.11729	3.5
173.13277	3.4
175.11191	4.6
175.14845	4.8
177.12737	2.8
177.16414	2.1
183.11670	2.3
185.09714	1.6
185.13235	3.1
187.14771	5.0
189.12782	1.1
189.16444	4.8
191.14365	1.6
193.12239	6.7
193.15749	1.0
195.11664	1.2
197.13313	1.9
199.14751	1.9
201.16344	4.9
203.14330	4.4
203.17949	1.2
205.15887	4.5
207.17455	1.4
211.14836	1.8
213.16418	2.0
215.17953	2.3
217.15869	1.9
219.17461	3.0
221.15353	4.7
227.14372	1.2
233.15405	1.5
238.15079	1.3
273.14841	1.6
275.20090	3.5
276.20395	10.8
277.21945	1.2
293.21130	3.8
294.21490	8.4
295.22479	2.8
313.25259	2.9
331.26318	3.1
349.21603	1.8
355.26270	2.8
364.50244	1.0
367.22714	6.1
369.65778	1.0
385.23718	4.9
405.31467	1.8
423.32648	14.5
441.27856	1.0
441.33676	27.0
459.27469	25.1
459.34637	100.0
460.34793	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2742
Annotation	Unknow
Peak:m/z	Relative Intensity
51.56181	0.6
53.03943	2.4
55.01871	5.2
55.05512	22.8
57.03439	4.2
57.07075	0.6
59.05007	0.8
65.03931	1.9
67.05508	25.4
69.03429	4.1
69.07076	5.6
69.75916	3.2
71.04988	1.8
79.05495	24.7
81.03419	11.3
81.07059	20.5
83.04964	3.3
83.08619	10.5
85.06541	1.7
91.05484	16.3
93.07048	13.1
95.04974	8.1
95.08608	9.3
97.06544	4.1
97.10178	16.6
98.97593	0.7
99.08047	0.8
103.05492	0.8
105.03429	0.6
105.07035	12.0
107.04956	13.3
107.08597	14.3
109.06523	4.0
109.10165	6.1
111.04459	0.8
111.08075	2.6
113.05993	1.0
114.38869	0.5
115.05476	1.9
117.07005	9.4
119.08579	7.0
121.06508	10.7
121.10152	3.8
123.04443	1.8
123.08076	4.8
125.05956	0.5
125.09628	12.1
128.06238	1.6
129.07008	9.3
131.04921	5.3
131.08566	9.0
132.05708	0.6
133.06500	5.3
133.10139	4.5
135.04451	1.0
135.08064	3.4
135.11673	1.6
137.06012	0.9
137.09621	0.9
139.03908	3.3
141.07018	2.6
142.07797	1.4
143.08565	5.9
144.05710	1.9
145.06487	22.6
145.10107	3.8
147.04427	2.4
147.08076	5.7
147.11699	3.7
149.05994	0.9
149.09634	2.7
151.07538	0.7
153.06966	1.2
153.09125	4.4
153.12773	1.0
154.07767	0.9
155.08611	3.1
157.06520	3.5
157.10127	4.9
159.08054	6.1
159.11734	1.8
161.06027	4.0
161.09677	2.8
163.11230	1.4
165.12776	1.8
167.08575	2.2
169.06522	2.2
169.10143	2.9
171.08072	5.4
171.10306	1.4
171.11641	3.3
173.06078	0.6
173.09622	2.3
173.13225	0.9
175.07674	0.7
175.11198	3.6
177.12793	1.4
179.08592	1.2
181.10136	2.4
183.08087	2.6
183.11717	1.4
185.09607	3.4
185.13295	2.7
187.11220	2.1
187.14861	0.8
189.09491	1.1
189.11218	5.6
189.12804	1.9
192.98140	0.7
193.10364	1.2
193.12238	7.7
195.08122	1.8
195.11713	3.7
195.51759	0.6
197.09634	2.3
197.13246	2.7
199.11140	2.8
201.12704	0.9
203.14314	0.9
205.12238	1.0
205.15944	0.7
207.11623	0.6
209.09744	1.0
209.13266	1.7
210.99139	1.1
211.11215	1.6
213.12700	1.7
215.14293	3.0
217.12239	1.3
219.11781	1.4
221.09633	0.7
223.11337	1.1
223.13173	0.9
225.12779	2.1
227.14362	2.4
231.13812	1.3
233.15414	4.4
235.11200	0.7
235.14917	0.7
237.12672	3.3
239.14285	1.9
241.14383	1.4
243.13809	1.2
245.15393	1.1
249.14946	1.8
251.14377	1.4
253.15872	0.7
255.13792	4.9
257.15491	1.1
259.13281	1.1
269.15460	1.0
271.17017	1.8
273.14856	19.0
281.15326	1.0
283.17001	0.9
287.16351	1.8
289.18079	1.0
291.15796	0.8
297.18536	0.9
299.16409	1.4
311.16400	1.2
321.22144	1.8
331.20627	1.3
339.23203	4.6
349.17426	0.8
349.21616	14.2
357.24286	4.5
367.22678	44.1
368.22665	0.6
385.23737	33.7
403.24814	7.9
405.24387	3.9
423.25412	2.6
441.26483	8.2
459.27423	100.0
460.27811	1.0
477.85742	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2743
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	4.3
55.01883	8.3
55.02089	1.6
55.05275	2.3
55.05518	35.9
57.03448	3.3
65.03931	4.4
67.05508	49.3
69.03416	4.3
69.07063	14.6
71.04993	3.5
72.08144	1.4
73.02908	1.9
77.03902	1.5
79.05065	2.9
79.05495	37.6
81.03433	8.3
81.07061	33.9
83.04974	5.2
83.08622	22.7
85.02900	2.4
91.05490	33.3
93.03429	1.7
93.07054	22.6
95.04961	7.6
95.08615	14.4
97.06551	3.3
97.10175	35.3
98.21528	4.6
99.08105	2.0
103.05462	12.5
105.03416	1.8
105.07038	26.1
107.04955	7.9
107.08593	23.8
109.06535	4.1
109.10165	17.7
111.08064	5.6
115.05450	8.5
117.07023	35.2
119.04916	2.4
119.08599	19.4
121.06534	6.0
121.10143	6.9
123.08060	4.0
123.11755	2.9
125.09642	30.2
127.07437	1.5
128.06236	5.9
129.07016	24.5
131.04898	4.8
131.08574	32.9
133.06505	7.9
133.10110	8.3
135.08051	9.7
135.11659	3.6
137.09654	3.0
139.98877	1.4
141.06970	9.1
143.08556	13.6
145.06494	14.7
145.10133	9.9
147.08049	5.0
147.11708	4.6
149.09644	5.2
149.13228	2.7
153.06978	2.9
153.09119	3.8
154.07755	2.3
155.08582	13.2
155.10608	2.3
156.09300	2.0
157.06522	4.7
157.10130	7.5
159.08076	4.6
159.11707	6.4
161.09589	2.0
163.11140	1.9
165.06975	1.8
167.08563	3.5
169.10126	6.4
169.22517	1.7
171.08049	4.0
171.10284	1.7
171.11713	7.4
173.09567	1.9
173.11803	3.8
173.13261	3.0
179.08511	1.9
181.10114	2.8
183.11708	4.8
185.09570	2.2
185.13257	4.0
187.11217	2.7
187.14792	13.2
189.11229	20.4
193.12181	3.0
195.11736	4.9
197.13358	12.4
209.13243	2.0
213.12737	7.7
215.14317	56.0
219.11739	1.9
223.11166	1.8
225.12646	2.3
227.12733	22.3
231.13821	2.9
233.15343	4.4
241.12184	2.8
243.13794	1.9
253.15924	2.5
255.13889	2.6
271.17023	2.8
273.14938	3.2
287.16791	1.7
288.61725	1.8
305.57166	1.6
339.23145	5.2
349.21695	12.9
357.24301	2.5
367.22684	32.1
385.23663	24.5
403.24774	5.0
441.26413	51.2
441.32611	3.8
459.27414	100.0
459.34030	6.3
460.27771	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	459.2227
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	1.2
54.59416	0.5
55.01864	0.7
55.05516	3.4
57.03424	2.0
57.07069	0.8
67.05513	5.3
69.03435	4.4
69.07060	3.5
69.28826	1.2
69.29223	4.6
70.06567	0.6
71.04975	1.4
73.57000	0.6
79.05475	2.6
81.03438	4.3
81.07062	6.0
83.04972	2.0
83.08603	1.9
85.02912	8.6
85.06531	1.0
87.00847	3.0
91.05475	2.4
93.07055	5.0
95.04949	0.9
95.08607	11.2
97.02903	3.0
97.06524	2.6
97.10136	1.2
99.04445	1.5
99.08081	0.9
105.01846	1.8
105.07032	4.7
107.08591	7.0
109.02901	3.0
109.03521	0.5
109.06530	2.7
109.10161	18.5
111.08080	9.0
119.08582	11.0
121.10154	5.9
123.04411	1.4
123.08071	9.8
123.11715	3.8
125.09628	1.5
127.03924	3.8
131.08592	0.7
133.10138	10.3
135.11690	13.1
137.09622	20.1
137.13254	1.8
138.09097	0.6
138.10374	2.1
139.11192	1.6
143.08614	0.6
145.04961	1.2
147.11676	1.9
149.09602	0.5
149.13289	3.5
151.11101	0.9
151.14818	3.0
159.02899	1.3
159.11743	0.6
163.03870	1.0
163.11284	0.8
165.12794	3.2
165.16402	1.3
175.13300	1.0
175.14821	20.1
193.15884	17.5
211.16933	100.0
212.17201	1.7
215.06801	0.5
231.04884	1.0
243.13365	0.8
254.13783	0.7
317.17014	1.3
340.96677	0.7
367.22824	0.8
441.20853	0.7
459.27350	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	459.2225
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	6.1
57.07075	2.2
67.05499	13.6
69.03423	7.1
69.07062	8.8
70.69473	4.3
70.69833	1.6
71.05012	2.1
77.93529	1.5
79.05488	2.2
81.03417	3.0
81.07057	15.4
81.94776	1.4
83.04994	6.0
83.08617	5.9
85.02903	8.7
85.06538	2.0
87.00837	4.1
91.05447	1.9
93.07035	6.2
95.04958	1.8
95.08611	27.0
96.68652	1.4
97.02902	3.6
99.08123	2.3
105.01871	2.6
105.07040	6.0
107.08601	19.0
109.06522	8.7
109.10159	81.1
111.08089	3.7
113.09673	1.9
119.08585	27.7
121.10157	9.1
123.08076	11.0
123.11706	7.3
127.03907	3.5
133.10143	16.2
135.11694	74.2
137.09628	12.7
139.11240	2.0
145.04907	2.2
149.13266	4.4
151.11200	8.7
151.14833	7.9
175.14848	31.8
193.15880	41.3
211.16937	100.0
229.92732	1.7
275.99271	1.6
371.16428	1.7
399.83142	2.2
459.18054	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.1839
Annotation	Unknow
Peak:m/z	Relative Intensity
54.13665	0.6
67.72900	0.6
70.06582	1.8
70.41753	2.2
72.08149	2.7
79.05510	0.8
81.07048	1.2
84.08121	1.4
86.09748	0.7
91.05481	1.4
107.08569	0.6
117.07079	0.9
129.97740	0.7
145.10107	1.0
151.03928	1.3
155.06189	0.7
160.07590	0.7
175.02142	0.7
176.71664	0.6
177.05664	0.6
193.12053	1.1
200.10767	1.2
203.05316	1.4
211.13060	3.3
219.10204	0.9
227.17891	0.6
245.06352	4.1
249.13068	0.5
289.05276	6.1
322.21732	1.2
330.20624	7.8
350.20987	0.9
368.22208	50.5
373.18369	7.8
396.21707	7.3
397.18381	1.8
414.22794	15.7
415.19418	19.2
416.20078	1.1
441.17072	0.9
442.22296	19.0
459.18463	100.0
459.24890	11.6
460.18771	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	459.1842
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	0.7
56.96577	0.4
57.03432	0.9
57.54335	0.4
66.56126	0.4
67.05492	0.5
67.91709	0.4
69.03432	2.5
69.07084	0.5
69.67378	0.9
69.67780	1.9
69.71609	0.5
70.06582	1.2
72.08145	1.6
81.03456	0.4
81.07044	0.6
84.08142	0.9
85.02911	2.6
86.09702	2.5
87.04461	1.6
91.05480	0.7
95.08609	0.5
97.02869	2.4
98.97546	0.8
105.07075	0.5
107.08591	0.8
115.03922	2.2
119.01911	0.7
119.08527	0.4
123.04440	0.5
127.03910	0.8
131.08524	0.5
133.04955	1.3
136.56297	0.4
139.03888	0.9
145.03400	0.4
147.04355	0.5
161.02940	0.5
163.03960	1.3
177.05531	0.6
185.04225	0.8
211.13107	4.9
213.15988	0.7
221.05043	0.7
225.54201	0.4
227.05258	1.0
229.17299	0.4
235.11864	0.5
239.12543	0.5
241.03783	0.4
243.05214	1.0
245.06345	0.6
253.12642	0.7
276.07843	0.4
289.05222	0.6
317.07303	0.6
318.07352	0.6
355.17218	1.3
368.22058	0.7
373.18289	7.3
386.88437	0.5
397.18231	1.6
415.19421	22.3
416.19513	0.5
440.26349	0.4
441.17300	2.8
459.18390	100.0
460.18835	1.3
469.12091	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.1841
Annotation	Unknow
Peak:m/z	Relative Intensity
51.71469	0.5
59.04999	1.3
62.61945	0.6
64.51799	0.5
65.79416	0.5
67.05524	0.5
69.58836	0.6
69.59178	3.5
70.06618	0.8
72.08155	5.1
79.05473	0.6
80.10824	0.5
81.07054	1.0
84.03291	0.6
85.02914	1.0
86.09707	0.9
89.10807	2.0
91.05492	1.0
99.80521	0.6
103.91919	0.5
105.03390	0.9
107.08606	0.7
117.81514	0.5
118.85551	0.6
119.08658	0.8
123.04453	0.7
127.03902	0.6
130.02982	0.6
131.08606	0.9
132.08099	0.8
145.10185	1.0
151.03909	3.8
160.07610	1.1
165.05582	0.7
177.05423	1.2
193.12120	0.8
193.14426	0.9
200.10800	0.5
203.05377	1.1
211.13046	3.7
214.71809	0.6
219.10179	5.4
223.08667	1.0
227.05383	1.1
233.07216	0.7
234.73404	0.5
245.06297	4.5
251.08110	2.5
271.04443	0.8
279.07733	2.3
289.05350	4.3
297.08777	2.9
304.17148	0.7
312.19138	0.5
322.21591	0.8
330.20706	7.7
340.22610	0.6
350.21286	0.9
368.22229	49.6
373.18262	7.9
396.21738	7.4
397.18542	1.9
414.22760	15.3
415.19403	19.5
421.39804	0.6
438.87042	0.6
441.17508	1.5
442.22290	20.1
459.18506	100.0
459.24939	14.3
460.18756	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	458.2753
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00300	2.5
55.05516	11.3
57.03437	2.3
57.07077	2.5
61.02926	3.4
67.05503	23.5
69.03424	2.9
69.07059	7.8
71.52365	3.0
79.05495	13.4
80.68478	2.1
81.07061	27.7
83.04953	5.0
83.08613	6.4
85.02908	100.0
91.05483	12.4
93.07062	12.5
95.04967	3.8
95.08598	20.2
97.10168	10.7
104.55112	1.9
105.07050	11.7
107.08598	11.9
109.06503	4.6
109.10149	14.9
111.08063	3.1
117.07016	6.8
119.08595	11.8
121.06480	4.7
121.10128	9.0
123.08047	2.0
125.09639	5.5
130.77296	1.7
131.08603	10.0
133.10147	12.7
135.08041	4.9
135.11671	3.2
137.06035	2.4
137.09616	7.7
139.11223	3.6
145.10127	6.5
147.11717	5.9
149.09615	3.1
155.10619	4.5
157.10115	2.8
159.11717	3.3
161.13286	3.8
165.12717	2.1
173.11783	4.4
173.13156	3.1
189.11255	5.4
203.12784	6.5
239.18217	2.0
257.19012	4.3
275.20071	51.9
293.21143	49.2
294.77332	1.9
395.24258	11.4
458.25574	2.6
458.33023	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	458.275
Annotation	Unknow
Peak:m/z	Relative Intensity
51.71439	1.2
53.03933	2.0
55.01867	4.0
55.05513	16.1
56.96564	1.6
57.03432	3.9
61.02917	3.4
65.03933	1.7
67.05505	31.2
69.03417	3.5
69.07072	31.5
71.04984	5.0
71.52554	1.8
79.05070	1.8
79.05493	23.2
81.03422	3.3
81.07059	25.1
83.04981	4.8
83.08611	5.5
85.02907	62.2
85.06575	2.7
91.04966	2.2
91.05484	21.4
93.07047	34.6
95.04963	12.0
95.08009	0.9
95.08609	25.5
97.06528	4.7
97.10182	7.0
103.03930	2.2
105.07035	24.0
107.04962	16.6
107.08601	14.1
109.06516	3.8
109.10159	11.4
111.08091	1.8
111.11686	1.6
117.07011	5.7
119.08579	20.6
121.06466	2.3
121.10144	15.4
123.08083	2.5
123.11739	1.4
125.09647	4.1
129.07001	3.2
131.08568	10.4
133.10146	15.0
135.08051	14.8
135.11655	3.9
137.09624	4.8
139.11218	6.4
141.06943	1.4
143.08572	1.9
145.10141	9.0
147.07997	1.7
147.11714	7.6
149.09618	3.8
151.11093	1.8
155.08600	1.5
155.10658	1.4
157.10107	3.4
159.11687	5.7
161.13271	3.0
163.11180	2.8
165.12796	1.2
167.10718	1.2
171.11713	3.3
173.11809	2.2
173.13261	3.6
177.12854	1.5
183.10109	1.3
183.13693	1.4
187.11134	1.7
189.11180	4.8
191.10614	1.2
191.14343	1.4
203.12755	13.2
207.13766	2.7
214.75139	1.3
219.13922	1.4
219.17628	1.3
223.13351	1.5
225.14856	2.1
237.14867	13.2
239.17964	3.5
247.20575	2.2
257.19061	7.3
258.45248	1.3
275.20074	88.3
293.21109	100.0
294.21484	1.5
337.77762	1.2
395.24249	3.6
396.90942	1.2
458.25644	3.3
459.27393	2.5
459.34659	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	458.2023
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	1.7
59.04985	1.6
61.02916	1.6
67.05499	2.3
69.03429	2.6
69.07043	1.7
70.06584	5.7
71.49163	1.2
71.52950	1.4
72.08155	1.8
73.02908	6.1
74.28920	1.3
75.04466	4.4
79.05499	3.5
81.03416	2.6
81.07048	1.8
85.02908	3.1
91.05470	4.8
93.07041	2.4
95.04964	1.1
95.08674	1.6
97.02877	2.6
98.06024	1.6
105.07034	19.6
107.08597	2.2
107.83367	1.3
119.08566	3.5
121.06486	1.6
123.04397	2.4
123.08060	1.8
125.83606	1.3
127.03934	1.6
130.08658	3.2
131.07271	16.7
132.08090	10.9
133.07637	1.7
135.08066	1.4
136.07532	1.6
145.08859	5.7
146.09653	100.0
147.07993	1.7
149.06061	2.4
158.09668	10.9
158.10863	2.3
160.07545	1.6
160.11227	42.3
162.09129	1.9
163.03934	5.1
176.07083	1.4
188.10735	5.1
189.11211	1.8
190.12242	5.2
192.10193	8.1
192.13852	1.7
203.06949	1.9
218.11771	3.8
220.13194	2.0
245.11748	1.5
246.11281	2.6
248.12842	3.4
250.14415	14.1
264.12332	7.7
278.13879	92.0
296.14813	7.1
298.67999	1.3
306.17245	1.6
340.32706	1.5
384.21182	1.2
458.24973	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	458.2018
Annotation	Unknow
Peak:m/z	Relative Intensity
51.16692	0.7
57.03438	1.0
61.02900	1.0
69.03423	2.0
70.06593	1.2
70.96792	2.2
71.04981	1.3
75.04475	3.7
79.05493	2.1
80.68713	0.9
81.03416	1.7
82.54331	0.9
85.02900	3.9
87.75319	0.9
91.05503	1.3
97.02908	2.5
98.06025	1.9
103.05507	1.2
105.07035	20.5
116.38517	0.8
117.05756	1.0
119.08582	1.7
123.08064	2.5
127.03918	1.8
130.08667	3.3
131.07315	15.5
132.08096	16.0
133.07635	1.7
133.10129	2.8
134.10475	3.3
135.08015	0.8
137.09599	2.0
138.10078	0.9
144.08076	2.1
145.08878	5.3
146.09653	100.0
147.09988	1.3
149.09581	1.0
151.11172	1.7
158.09651	11.8
160.07611	6.0
160.11234	38.4
161.08334	1.4
162.12833	1.0
163.03925	1.5
172.07660	1.0
173.13298	0.9
188.10742	4.6
190.12291	3.5
191.14322	2.1
192.10205	19.2
192.13983	3.1
206.11676	1.3
209.15349	2.8
210.15738	3.1
218.11746	6.3
220.13351	2.9
236.12798	2.7
246.11285	2.7
248.12857	1.8
250.14378	13.3
264.12299	21.8
278.13882	97.7
296.14960	16.2
458.26315	2.1
482.18060	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.3685
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	1.1
55.05506	4.8
57.07064	1.4
67.05506	13.9
69.03448	0.8
69.06722	1.3
69.07070	13.0
69.29479	1.5
69.29888	4.4
71.04996	6.3
79.05497	5.3
81.07056	15.0
82.07384	1.3
83.04990	1.2
83.08597	3.3
85.06551	1.6
90.87112	0.7
91.05479	5.5
91.13859	0.7
93.07046	14.9
94.07412	1.3
95.04971	2.3
95.08612	18.9
96.08948	2.0
97.06542	1.9
97.10172	1.9
98.20795	1.8
99.08105	2.3
105.07034	13.1
105.17102	0.7
106.07355	1.5
107.08592	20.3
108.08910	1.4
109.06518	1.7
109.10158	100.0
110.10483	2.3
117.07017	2.0
119.08579	18.9
120.08924	1.4
121.06477	1.4
121.09345	0.8
121.10145	16.4
122.10497	1.6
123.08101	2.0
123.11684	6.4
125.09621	5.2
127.11193	75.0
128.11594	0.9
129.07031	1.1
131.08571	6.4
133.10129	18.6
134.10503	1.5
135.08051	4.6
135.11685	12.0
136.12053	1.9
137.09630	1.5
137.13304	1.2
143.08562	2.3
143.10693	1.9
145.10133	11.2
146.10428	1.0
146.53905	0.8
147.11697	16.8
147.33115	0.8
148.12074	1.3
149.09621	2.5
149.13264	5.0
151.11201	2.0
157.10129	2.9
159.11723	13.2
160.12042	1.3
161.09656	1.3
161.13264	10.2
162.13588	1.1
163.11197	9.1
163.14864	4.3
164.15125	1.2
165.09106	2.7
165.12885	1.0
167.14355	0.9
169.10172	1.2
171.11707	2.9
173.13306	6.4
175.11191	1.6
175.14859	6.0
176.15201	1.0
177.12767	2.9
177.16422	1.5
183.11665	1.2
185.13278	2.5
187.14789	5.4
189.12840	1.1
189.16438	5.0
191.14334	2.0
191.18011	1.6
199.14835	1.5
201.16396	7.1
202.16743	1.3
203.14346	2.5
203.17996	5.3
205.15880	17.6
207.17383	1.4
213.16476	1.5
215.17973	6.4
216.18370	1.1
217.15849	1.3
219.17480	4.4
221.19025	1.2
227.17899	0.9
229.15941	0.8
231.17476	3.8
233.19008	3.4
243.21027	1.0
287.23758	0.8
297.25681	1.8
299.23453	0.9
313.25305	1.6
315.26706	1.0
335.27341	1.1
341.28287	1.4
353.28378	2.7
372.95764	0.8
383.29581	1.2
410.62485	0.7
411.35562	2.1
421.34726	15.9
427.34778	1.2
439.35611	26.1
457.25464	1.8
457.36581	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	457.3689
Annotation	Swinniol
Peak:m/z	Relative Intensity
53.03932	7.6
55.05501	18.7
57.07077	6.2
67.05505	41.9
69.07077	37.7
71.04997	12.0
71.51953	9.4
79.05506	32.3
81.07056	77.9
83.04964	6.2
83.08608	21.6
91.05499	38.1
93.07045	73.3
95.04977	8.8
95.08621	95.5
97.06535	9.5
97.10155	7.9
99.08089	8.3
105.07040	69.5
107.08602	100.0
109.06536	10.7
109.10160	64.0
110.64365	7.2
111.08048	16.4
117.07036	14.7
119.08595	72.8
121.06544	14.0
121.10140	78.4
123.08053	21.6
123.11684	23.8
127.11195	28.6
128.06180	6.9
129.06975	13.4
129.09175	8.6
131.08557	28.0
133.10141	83.1
135.08057	13.4
135.11681	65.9
137.13307	9.6
143.08542	11.9
145.10139	50.3
147.11702	49.5
149.09599	9.7
149.13261	30.1
157.10135	20.2
159.11717	42.9
161.09624	16.2
161.13284	44.8
163.11151	12.7
163.14816	17.2
169.10139	8.8
171.11647	14.0
173.13254	27.0
175.14845	28.2
177.12669	9.4
177.16325	9.7
179.14256	7.9
184.07260	8.5
185.13309	11.2
187.14830	39.5
189.12746	8.0
189.16383	31.0
191.14316	22.3
191.17979	11.0
195.13818	7.7
199.14836	15.7
201.16393	37.0
203.17943	31.9
205.15897	22.5
213.16347	18.1
215.17961	18.4
217.15866	12.9
217.19554	25.0
217.93205	6.5
219.17455	12.6
231.17455	8.1
233.19016	10.5
296.25360	6.9
302.96964	6.2
313.25305	7.4
315.26892	6.4
338.72134	6.6
340.18500	7.0
341.28625	8.0
409.34637	25.0
421.34979	50.3
423.31140	15.2
427.35709	47.1
439.36163	71.6
447.86346	5.8
457.24548	21.6
457.31995	19.0
457.37363	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	457.3676
Annotation	Oleanolic acid
Peak:m/z	Relative Intensity
53.30143	1.5
55.05500	4.6
57.07072	2.2
67.05506	8.9
67.19052	1.2
69.07075	8.4
70.68430	1.6
70.68755	2.7
71.08645	1.3
79.05501	8.2
81.07053	20.6
83.08582	3.5
89.78114	1.5
91.05466	5.4
93.07045	19.6
95.08604	57.2
97.10141	2.2
105.07047	13.7
107.08589	35.9
109.10163	27.7
111.08099	2.7
119.00543	1.2
119.08580	20.9
121.09319	2.3
121.10144	26.4
123.11697	9.9
125.09628	1.9
131.08511	1.8
133.10136	15.2
135.11684	21.2
137.13229	3.0
145.10112	5.2
147.11681	12.5
149.13263	13.9
153.09088	1.9
159.11656	5.1
161.13268	10.9
163.14825	32.9
165.12704	1.9
173.13266	4.1
175.14853	8.8
177.12857	1.7
177.16380	10.9
179.14268	2.7
180.17566	1.5
187.14824	5.9
189.16422	18.6
191.17931	21.4
199.14719	1.9
201.16402	6.9
203.17943	24.0
205.15907	1.6
205.19513	6.3
207.17465	4.9
213.16478	1.8
215.17981	4.4
217.19493	6.4
221.18924	4.0
229.19470	3.0
231.21101	8.1
233.18947	2.9
233.22801	1.8
249.18390	3.0
297.25922	7.4
315.26874	2.9
393.35046	7.5
411.36215	100.0
439.35831	7.7
457.36591	3.5
457.43991	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.3678
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03958	3.8
55.01896	3.8
55.05515	23.5
57.03437	2.6
57.07079	3.7
57.32081	2.2
57.80630	2.1
62.11482	2.1
63.55629	2.3
67.05508	43.5
69.03439	9.8
69.07070	22.3
70.54728	8.2
79.05499	31.2
81.07062	70.4
83.04991	3.4
83.08621	8.8
89.33028	2.1
91.05491	34.1
93.07050	57.4
94.96365	2.3
95.08611	96.0
97.06535	6.5
97.10156	10.5
105.07037	66.6
107.08599	100.0
109.06503	4.7
109.10162	62.7
114.01385	2.3
117.07040	12.6
118.66891	2.4
119.08588	51.4
121.10152	50.8
123.08097	6.2
123.11698	19.2
125.09635	60.4
129.07005	3.2
131.08586	27.2
133.10138	46.6
135.11714	36.4
137.09636	2.9
137.13252	4.4
143.08575	9.5
144.09273	2.5
145.10120	39.6
146.10719	2.8
147.11699	40.8
149.13287	13.6
151.11206	4.5
157.10161	13.8
158.10951	3.0
159.11693	38.5
159.12895	3.7
161.13248	30.2
163.14912	11.8
165.12825	3.6
171.11717	11.9
173.13266	28.2
175.14818	18.9
177.16415	4.4
185.11841	2.3
185.13274	12.4
187.14807	24.9
189.16399	19.3
191.10353	2.4
191.14351	3.5
191.18021	3.4
193.15828	5.1
197.13272	6.5
199.14844	12.2
201.16394	30.8
203.17952	13.5
205.15874	9.1
211.14830	2.7
213.16425	8.3
215.18013	14.4
217.15842	6.2
217.19519	3.3
219.17464	10.8
221.19052	3.6
225.16432	4.2
227.17960	4.3
229.19562	6.6
231.17552	4.5
232.18816	2.8
233.19008	4.6
239.17992	2.6
241.19463	2.8
243.20976	5.5
255.20998	3.4
261.22070	6.5
267.21149	3.7
269.22705	5.2
273.21982	3.1
293.22601	2.5
295.24313	9.4
297.25723	3.2
299.23639	3.5
309.25629	3.1
311.23932	2.7
313.25427	4.2
396.96182	2.7
403.33731	7.0
421.34732	24.3
439.36139	12.5
441.22348	2.5
457.23175	4.4
457.36865	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	457.3678
Annotation	Petatrichol A
Peak:m/z	Relative Intensity
50.32909	1.7
52.54922	1.2
53.03937	1.3
55.05506	6.0
57.07061	2.0
63.69004	1.2
67.05514	9.9
69.07066	11.9
70.77274	3.3
71.04987	5.2
76.27266	1.6
79.05485	6.4
81.07055	22.7
83.05001	2.2
83.08612	3.6
91.05486	10.3
93.07049	24.3
95.08611	35.1
97.06528	1.9
97.10149	2.3
99.08068	7.2
101.06056	1.6
105.07036	18.2
106.63879	1.3
107.08601	39.6
109.10165	27.3
117.07051	1.4
119.08588	34.8
121.10141	34.1
123.08049	2.7
123.11721	16.6
125.09621	2.6
127.11181	9.2
131.08554	4.0
133.10136	34.3
135.08064	24.9
135.09032	2.8
135.11691	37.7
137.09615	2.4
137.13229	5.8
143.08568	1.4
145.10146	10.7
146.37466	1.5
147.08170	1.7
147.11697	25.7
149.09644	5.5
149.13275	22.9
151.07523	3.8
151.14772	2.5
157.10042	1.7
159.11678	18.1
161.09598	5.0
161.13257	19.7
163.11197	3.7
163.14827	7.8
171.11671	2.1
173.13275	7.9
175.11211	10.6
175.14813	10.9
177.12828	1.5
177.16406	5.9
185.13240	1.8
187.14871	5.9
189.12753	5.1
189.16411	10.3
191.14310	2.2
191.17950	5.1
193.12189	1.5
193.15921	1.5
199.14835	3.2
201.16397	21.5
203.14297	13.1
203.17966	21.5
204.15045	2.9
205.15883	17.3
205.19516	3.3
213.16316	3.2
215.17940	5.6
217.15863	4.1
217.19519	18.4
219.17448	2.0
221.15398	3.6
221.18904	2.4
231.17392	3.9
233.19017	4.3
235.20543	4.1
236.19696	1.4
339.27405	1.7
341.28363	2.4
359.29361	3.9
371.29483	2.4
371.40784	1.4
379.29779	1.5
411.36124	2.5
421.34732	14.3
439.35727	100.0
440.35968	3.0
457.36832	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	457.3678
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	16.4
56.46957	2.5
57.07068	7.0
65.03908	2.8
67.05504	30.3
69.07055	17.3
69.47768	18.3
71.04975	9.8
79.05496	22.1
81.07056	52.8
82.86565	3.1
83.04980	5.5
83.08604	12.5
91.05492	25.3
93.07039	51.9
95.04980	6.0
95.08611	100.0
97.06462	6.5
97.10166	8.6
99.08076	6.4
105.07040	50.1
107.08594	82.2
109.06551	3.0
109.10159	67.5
111.08084	5.5
113.09644	10.1
117.07024	6.6
119.08585	66.4
121.09313	5.6
121.10137	60.6
121.10802	1.9
123.08054	10.0
123.11738	19.4
125.09635	10.9
127.11174	7.9
129.07030	4.4
131.08560	27.9
133.09244	4.7
133.10143	52.6
135.08072	16.8
135.11687	30.9
137.09598	5.0
137.13248	8.3
141.09154	2.6
143.08530	7.0
145.10130	38.2
147.11685	51.7
149.13264	19.5
151.11142	6.6
157.10118	10.4
159.11682	47.8
161.09764	2.8
161.13240	24.6
163.11166	18.3
163.14868	17.5
165.12799	3.6
171.11679	7.9
173.13280	23.5
175.11191	4.0
175.14847	23.3
176.20361	2.7
177.12717	8.6
177.16354	12.2
179.14250	4.8
185.13289	7.7
187.14844	24.2
189.16429	20.1
191.14241	3.1
191.17938	6.9
193.15918	6.5
197.13249	3.6
199.14790	8.7
201.16350	32.6
203.14345	7.0
203.17995	20.1
205.15881	49.2
207.17412	9.1
213.16315	7.6
215.17938	25.2
217.15808	9.1
217.19426	5.6
219.17401	21.6
221.18979	8.9
227.17957	4.2
231.17476	6.3
233.19016	17.5
241.19475	3.7
243.21022	3.2
245.18997	6.1
247.20642	3.8
257.19119	3.2
295.24115	4.9
297.25681	11.3
313.25269	13.2
315.26804	15.8
353.28598	8.9
403.33243	4.2
421.34698	45.7
439.35718	63.8
457.36966	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	457.3682
Annotation	Petatrichol A
Peak:m/z	Relative Intensity
53.03937	0.7
55.05511	6.7
57.03424	0.8
57.07086	3.0
65.03909	1.0
67.05185	0.7
67.05509	9.4
69.07069	14.6
69.32580	0.6
69.84975	1.0
69.85394	2.4
71.04993	7.4
71.08642	0.9
77.19138	0.5
79.05485	6.9
81.06587	1.2
81.07058	22.3
83.04973	1.9
83.08618	5.3
85.02886	1.2
85.06557	0.7
91.05478	8.2
93.07048	23.9
95.04960	1.4
95.08609	32.3
97.06529	2.1
97.10175	1.8
99.08090	7.6
101.06010	0.9
105.07028	19.1
107.08598	44.1
109.06523	2.4
109.10159	32.0
111.08060	1.3
111.11738	1.2
113.09616	0.9
117.07018	1.8
119.08586	36.6
121.06490	1.2
121.10148	35.1
123.08028	3.0
123.11710	18.2
124.94781	0.6
125.09641	2.9
127.11195	12.2
128.06181	0.6
129.06964	1.3
131.08540	5.6
133.10133	38.6
135.08063	20.4
135.11694	43.1
137.09659	3.2
137.13254	7.2
139.11157	0.9
143.08580	2.4
143.10707	1.8
144.09369	0.7
145.10129	11.9
147.08072	1.2
147.11687	27.1
149.09613	5.4
149.13261	22.7
151.07536	4.5
151.11197	1.3
151.14842	1.2
153.12726	0.8
154.46774	0.7
156.09343	0.6
157.10136	4.0
158.10843	0.9
159.11697	20.1
159.13014	1.0
161.09596	5.4
161.13255	21.3
163.11165	4.6
163.14819	8.2
165.12860	1.4
165.16495	0.8
167.10706	0.8
169.10168	1.3
170.10965	0.9
171.11722	2.4
173.13297	9.1
174.13934	0.6
175.11186	11.5
175.14813	12.1
177.12801	3.5
177.16406	6.9
179.10602	0.9
180.44301	0.7
183.11653	0.8
185.13263	3.4
187.14801	6.3
189.12837	4.0
189.16365	11.1
190.13324	0.6
191.14371	1.9
191.17966	6.5
193.16023	1.2
196.12111	0.7
199.14850	3.8
200.30692	0.6
201.16385	21.2
203.14299	11.0
203.17947	19.6
203.19765	1.3
204.15112	3.0
205.15877	20.8
205.19511	2.3
207.17421	1.9
211.14799	0.6
213.16388	2.9
215.17973	8.3
217.15997	5.1
217.19504	17.1
219.17456	2.7
219.21120	0.9
221.15326	3.9
221.19055	1.6
227.17982	1.0
229.15881	2.0
229.19513	1.1
231.17499	4.4
233.19034	4.6
235.16916	1.0
235.20465	3.0
239.17899	0.8
241.19475	1.1
253.19452	1.4
269.22711	0.9
289.25110	1.0
323.27444	0.9
338.49173	0.6
341.28494	1.9
353.28387	1.7
359.29428	5.2
360.08813	0.6
371.29483	3.9
379.30035	1.6
403.33685	1.0
407.51422	0.8
411.36197	1.5
421.34689	18.8
439.35730	100.0
440.36044	2.6
457.36832	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	457.3678
Annotation	3-epi-Flindissol
Peak:m/z	Relative Intensity
53.03917	3.9
55.05502	13.8
57.07065	7.1
59.04995	5.1
59.57449	3.2
65.03959	3.8
67.05502	47.1
69.07068	23.8
71.05011	5.1
71.22181	5.3
79.05497	22.1
81.07066	60.1
83.04961	4.0
83.08623	14.2
85.06529	5.4
91.05496	22.2
93.07047	56.7
95.04984	3.9
95.08613	100.0
96.04504	59.9
97.10141	5.5
99.08126	3.1
105.07039	42.7
107.08587	68.1
108.89210	3.5
109.06517	4.6
109.10162	74.1
112.12141	3.7
117.06989	6.4
119.08585	47.3
121.10151	76.6
123.08076	8.9
123.11716	21.2
125.09586	4.8
127.11213	17.4
129.06953	4.0
131.08574	18.2
133.10152	49.5
135.11707	37.1
136.07587	70.0
137.13222	11.7
145.10118	32.7
147.11693	41.6
149.09668	5.1
149.13275	31.7
157.10120	11.2
159.11681	34.7
161.13257	37.2
163.14833	15.3
171.11714	9.2
173.13278	17.3
175.14873	18.4
177.16376	26.0
185.13239	7.8
187.14825	35.8
189.16389	40.6
191.17946	5.4
197.05952	29.5
199.14861	8.3
201.16396	19.2
203.17975	37.6
207.17496	11.2
213.16325	11.6
215.17917	23.9
217.19501	6.4
219.17433	8.4
227.17924	8.6
229.19452	7.3
241.19504	9.5
253.19534	3.6
255.21024	4.2
257.22702	5.5
278.79175	3.5
295.24033	5.7
297.25793	63.8
299.27322	3.7
313.25287	6.5
315.04791	3.7
315.26874	59.3
325.28845	4.1
346.94852	3.7
403.33630	4.0
409.34518	5.6
411.32260	4.5
421.34686	28.6
427.35410	4.7
439.35742	27.8
457.31641	5.3
457.36996	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	457.2411
Annotation	Unknow
Peak:m/z	Relative Intensity
54.14400	0.2
55.01842	0.2
57.03421	0.2
69.03423	0.3
69.07059	0.2
69.40174	0.6
69.40596	0.9
70.06597	2.1
72.08149	0.4
79.05477	0.3
83.01095	0.2
83.04973	0.2
84.08147	0.4
85.02899	0.6
86.09709	0.6
91.05444	0.4
95.08575	0.3
96.78123	0.2
97.02876	0.6
98.06023	0.3
98.97574	0.3
105.07039	0.4
110.07162	0.2
112.08733	0.2
113.02153	0.5
113.21563	0.2
120.08099	0.4
121.06531	0.2
133.10136	0.4
139.03934	0.4
150.06601	0.4
163.03874	1.2
176.10725	0.2
185.04227	0.6
191.07098	0.2
191.14296	0.3
192.07439	0.2
201.03711	0.6
203.00578	0.2
203.03424	0.3
203.05269	3.5
206.12740	0.3
207.08710	0.4
207.13683	0.4
208.09729	0.5
209.09892	0.3
209.11571	0.5
237.02937	0.2
250.88281	0.2
253.09262	0.5
277.17746	3.7
295.18890	1.1
301.12604	0.3
345.15225	0.6
369.18832	1.0
371.16721	1.1
387.19971	2.7
413.17834	1.7
439.23145	2.0
457.17276	5.6
457.24081	100.0
458.24530	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	457.241
Annotation	Lys Phe Tyr
Peak:m/z	Relative Intensity
67.16704	0.3
69.03417	0.5
69.28008	0.7
69.28421	1.5
70.06584	0.6
79.05471	0.4
81.03452	0.3
84.08124	0.3
84.96046	0.3
85.02914	0.4
85.98469	0.2
86.09680	0.6
88.38982	0.2
97.02895	0.9
98.97598	2.0
111.04439	0.3
112.99136	0.4
118.69284	0.3
118.74231	0.3
119.08566	0.4
121.02902	0.3
123.04452	0.3
124.42532	0.2
128.95203	0.3
131.00159	0.3
133.10132	0.4
135.04437	0.8
139.03976	0.3
145.02850	0.4
145.10245	0.3
158.99661	0.7
163.03920	3.8
178.01573	0.3
191.06989	0.3
191.10417	0.3
191.14302	0.7
203.05257	2.9
214.55861	0.3
216.23938	0.3
251.09532	0.6
269.10541	0.5
272.10910	0.3
277.07144	0.6
277.17758	5.6
293.10632	0.4
295.18817	1.4
358.08688	0.3
369.18881	2.1
371.16763	0.9
439.22943	1.7
457.24103	100.0
458.24545	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.2413
Annotation	Lys Phe Tyr
Peak:m/z	Relative Intensity
50.64683	0.2
55.05534	0.2
56.96550	0.3
59.04997	0.2
67.05525	0.3
69.03413	0.4
69.23213	0.3
70.06593	2.3
71.04991	0.3
71.52712	0.3
72.08135	0.5
73.02936	0.3
79.05492	0.4
81.03426	0.4
81.07058	0.7
83.04989	0.3
84.08153	0.5
85.02874	0.5
85.06520	0.2
86.09703	0.7
91.05453	0.3
92.47589	0.2
93.07032	0.4
93.39679	0.2
95.01105	0.3
95.04981	0.4
95.08602	0.3
97.02883	0.7
98.97587	0.2
105.07054	0.3
107.08588	0.3
109.06525	0.2
109.10130	0.3
110.07176	0.5
111.04454	0.2
113.02140	0.5
119.08553	0.4
120.08080	0.4
121.06467	0.3
121.10162	0.3
123.04405	0.4
127.03853	0.3
131.04880	0.2
131.28830	0.2
133.10149	0.5
135.04453	0.5
135.07974	0.3
136.07587	0.3
139.03839	0.4
145.10150	0.3
150.06595	0.2
152.67924	0.2
157.04709	0.4
161.09647	0.2
163.03905	1.9
173.13269	0.3
177.05453	0.4
185.04236	0.4
191.07022	0.5
191.10591	0.3
192.07520	0.3
201.03722	0.9
203.05270	4.3
207.08742	0.7
207.13519	0.4
208.09700	0.5
209.11478	0.8
237.11140	0.2
245.06584	0.3
253.09038	0.4
262.22906	0.2
273.09448	0.3
277.17746	4.8
295.18860	1.2
345.15366	0.5
369.18979	1.1
371.16492	1.3
387.19977	2.8
397.13559	0.2
413.17950	3.2
439.23071	2.1
457.17065	9.9
457.24084	100.0
458.18152	0.3
458.24329	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.2071
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	2.5
55.01872	1.7
56.96570	2.5
57.03443	2.2
59.04990	1.4
59.28181	0.9
61.02920	1.3
65.03889	1.3
66.10666	1.0
67.05484	2.5
69.03439	7.2
69.07066	1.5
69.25664	9.2
70.06572	3.9
71.04987	2.9
73.02914	1.8
74.61100	1.0
79.05481	3.4
81.03419	7.6
81.07056	5.6
84.08124	1.6
85.02901	14.2
85.06545	4.7
86.09695	2.6
87.00821	5.2
89.03883	1.4
89.06037	1.3
89.50340	1.0
91.05483	8.3
93.07043	6.7
95.04989	1.8
95.08588	4.6
97.02893	11.0
97.06513	6.1
98.20781	1.5
98.97599	7.9
99.04455	4.2
99.08086	1.3
103.05461	1.1
105.01855	5.0
105.07026	24.2
107.08590	8.1
109.02878	4.7
109.06506	2.1
109.10150	2.3
110.97565	2.5
111.08043	1.6
111.68861	1.1
115.05428	1.5
116.98621	2.8
117.03405	1.5
117.07004	2.8
119.08574	7.6
121.06539	1.6
121.10114	6.0
123.04377	1.2
123.08064	2.1
127.03909	10.2
128.98611	1.8
129.06981	2.7
131.08556	26.5
133.02821	2.3
133.10127	100.0
134.10452	1.3
135.04427	3.1
135.08073	2.7
135.11674	1.2
137.09589	4.0
143.08507	5.4
144.09309	1.4
145.02843	1.5
145.04933	2.4
145.10112	7.0
147.11665	7.6
149.09575	2.8
149.13295	5.4
151.11182	3.7
158.10895	5.5
158.99634	1.2
159.02901	2.7
159.08176	1.1
163.03899	13.6
163.14807	5.1
165.12735	5.0
170.99767	1.4
171.11629	1.8
173.13260	66.1
175.03877	2.2
175.14824	2.6
177.00650	1.2
177.05557	1.0
185.05875	1.0
191.07068	2.3
191.14307	54.0
192.07503	1.6
208.09657	3.1
209.10033	1.9
209.15372	16.9
219.01758	4.5
227.09657	1.3
231.06715	1.2
237.02831	6.3
245.10629	1.3
308.59891	1.1
325.10739	1.0
361.48404	1.0
371.13666	9.0
389.14914	8.9
413.14581	5.4
457.14960	13.9
457.24683	14.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.207
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	1.7
55.01881	2.1
55.05510	3.6
56.96566	3.6
57.03440	1.8
58.90955	1.2
59.05010	1.3
61.02925	2.3
62.49264	1.1
62.90132	1.2
67.05497	4.8
69.03433	10.3
69.07067	7.5
70.03786	1.4
72.08180	1.7
73.02928	8.5
74.03248	2.3
79.05505	6.9
81.03423	3.8
81.07056	8.9
83.04996	1.6
83.08613	2.0
84.08185	1.3
85.02913	12.2
86.03238	2.3
86.09706	3.5
87.00831	1.7
89.09767	1.3
91.05457	7.1
93.07031	6.2
95.04980	2.2
95.08594	2.4
97.02884	10.2
97.06553	1.8
98.03258	1.7
98.97587	5.1
105.07026	7.4
107.04956	3.7
107.08611	19.7
109.02882	2.2
109.06538	3.5
109.10125	6.9
115.03932	4.1
115.05444	2.1
117.07031	2.3
117.93080	1.4
119.08594	3.5
121.06528	3.2
121.10149	11.3
122.07314	4.3
123.04475	1.4
123.08098	2.2
127.03924	5.2
131.08592	4.1
133.02869	1.3
133.04967	5.0
133.10141	100.0
135.04384	1.9
135.08061	9.1
135.11673	1.6
137.05946	2.0
137.09625	52.0
145.02917	2.2
145.04968	4.2
145.10127	2.1
147.11725	1.9
149.09575	1.9
149.13286	8.0
150.24487	1.3
158.99677	1.8
163.03947	8.7
163.14848	1.9
171.11955	1.2
171.58490	1.3
173.13225	8.0
175.04033	1.3
191.03430	3.1
191.07076	2.1
191.14323	58.5
192.07384	1.5
208.09705	2.3
209.15340	6.2
219.01808	4.0
237.00572	1.7
237.02852	1.9
241.07222	2.1
245.10597	1.4
288.59479	1.3
325.10730	2.1
335.09467	2.2
371.13882	4.2
389.14828	4.2
413.15811	2.3
447.97934	1.5
457.14752	31.5
457.20636	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	457.148
Annotation	11,5'-Dihydroxy-2,3,4'-trimethoxy-6',6'-dimethyl-4',5'-dihydropyrano[2',3':9,8]-6a,12a-didehydrorotenone
Peak:m/z	Relative Intensity
54.46748	0.8
56.96579	4.4
69.03441	2.1
70.83961	1.6
76.55411	0.9
79.05519	0.9
81.23325	1.0
84.48778	0.8
91.05485	1.9
97.02911	1.8
98.97585	8.4
105.01849	1.3
105.07037	3.1
107.08614	1.7
110.97586	3.2
112.99097	1.0
115.00682	1.0
116.98676	1.5
119.08626	1.5
128.98633	1.8
131.08534	2.3
133.02838	1.3
133.10161	10.8
145.10139	1.1
147.11725	1.3
149.05925	0.9
155.37247	0.9
163.03944	3.7
173.13237	5.8
174.52780	1.0
175.14845	1.2
191.07089	1.3
191.14340	3.8
208.09726	1.7
209.15515	1.8
219.01759	5.1
227.09570	4.2
237.02921	3.4
245.10736	3.3
269.10638	2.2
281.10492	1.0
287.11725	1.0
311.11609	1.4
371.13834	9.4
389.14832	18.1
404.45526	0.9
413.15414	7.8
431.15933	5.6
457.14767	100.0
457.20853	3.4
473.38873	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.1323
Annotation	KN-92
Peak:m/z	Relative Intensity
55.97513	0.5
56.96577	1.3
65.13865	0.5
70.06578	1.7
71.52391	0.7
72.08143	0.8
85.02905	0.7
89.03918	1.3
94.72465	0.5
97.02916	0.8
98.97560	0.9
101.00914	0.6
107.04954	0.7
111.26471	0.5
116.07048	0.6
117.03357	0.7
119.01936	0.6
121.02852	0.8
121.06492	0.9
123.04453	0.6
126.97527	0.6
127.03767	0.7
131.01891	1.4
135.04399	2.1
143.00208	0.6
143.01909	1.8
145.03551	1.3
149.79239	0.5
157.03458	0.7
161.02956	1.8
163.03885	10.7
164.04135	1.0
169.03517	1.0
173.02985	1.3
179.40164	0.6
181.03543	2.2
184.76472	0.6
187.04526	1.5
203.04092	0.6
223.04547	1.2
239.04121	0.6
287.06122	0.6
307.06656	1.4
317.08380	1.8
371.47812	0.6
415.05450	0.6
457.13150	100.0
458.13492	1.3
466.07956	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	456.2442
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.5
55.01869	9.3
55.05512	1.2
56.96551	1.4
57.03439	20.0
57.07069	3.3
59.04992	4.3
60.04510	1.5
61.02933	16.7
64.40166	1.0
66.56293	0.9
67.05493	3.5
68.76669	0.9
69.03434	35.8
69.64945	0.9
70.06593	5.0
71.01344	4.7
71.04981	1.8
71.53008	2.2
73.02921	100.0
79.05489	3.3
81.03424	7.8
81.07041	3.4
83.08619	1.6
84.04507	1.2
85.02908	80.6
87.04482	6.6
91.03938	3.8
91.05466	3.7
93.03415	1.1
93.07026	2.1
95.04973	2.0
95.08575	1.2
97.02897	60.7
97.06535	6.3
98.03189	1.2
98.97563	2.9
99.04441	4.2
103.03926	4.2
105.07005	2.4
107.08587	1.4
109.02896	6.2
109.10168	12.3
111.04420	1.8
114.05499	1.2
115.03934	45.7
117.07034	1.0
119.04999	1.5
119.08595	1.3
121.06532	2.5
121.10193	1.2
123.04411	9.5
124.04755	3.5
126.05488	1.5
127.02974	1.6
127.03918	28.9
127.11209	9.1
131.08566	2.4
133.04971	56.1
133.10094	2.9
135.04391	3.6
137.02318	3.6
138.02675	1.3
139.02849	1.3
139.03891	2.1
144.06570	6.2
145.04964	48.1
145.12245	2.9
147.04340	2.7
148.04771	2.1
150.07628	5.7
156.06601	2.4
160.77856	1.1
162.07582	4.0
163.03905	5.9
163.06041	19.1
163.07527	3.6
164.04199	2.3
165.05486	1.6
173.06003	1.7
179.07030	1.7
180.08658	5.4
190.08646	1.5
191.03436	10.0
191.07045	13.4
192.03725	8.4
193.02464	1.1
193.03976	4.5
194.04190	2.2
199.06075	3.6
199.81055	1.0
208.09695	23.8
215.11282	1.0
217.07079	2.2
219.01836	1.2
219.10231	3.7
220.70076	1.0
223.06039	7.2
228.18584	1.0
237.02721	2.6
241.07112	8.6
241.14394	2.5
259.08054	10.8
259.15353	6.4
276.10757	2.4
277.09167	3.1
289.16452	7.4
294.11795	3.6
295.10168	2.8
301.07062	1.3
303.07635	1.8
304.07993	1.6
307.17493	1.5
343.08032	2.0
344.08502	1.7
345.08762	2.8
346.08859	4.7
371.13651	3.9
381.22284	1.1
389.14948	2.7
410.31094	1.2
413.15399	1.8
456.19873	9.9
457.14615	11.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	456.2441
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	1.6
53.43487	0.9
55.01867	2.0
57.03439	47.8
57.07075	4.2
60.04516	2.2
61.02927	16.5
66.59114	0.9
67.05504	2.5
69.03430	39.5
69.07058	1.2
70.00974	3.8
70.06567	1.4
71.01347	4.2
71.04993	2.5
72.92902	1.0
73.02919	100.0
81.03426	5.6
81.07043	1.1
83.01308	1.0
83.04982	1.2
83.08605	1.3
85.02905	73.8
85.10168	1.3
87.04465	5.0
91.03951	4.4
91.05493	1.9
93.07052	1.0
95.08603	1.5
96.04488	2.8
97.02895	69.8
97.06522	2.7
98.06074	1.9
98.21460	1.0
98.97557	1.0
99.04476	3.4
103.03970	1.0
105.07028	2.0
109.02912	6.2
109.10157	13.0
115.03931	65.8
119.08572	1.6
121.06482	1.5
123.04414	1.7
126.05513	1.5
127.03928	23.7
127.11193	9.6
132.06581	1.6
133.04980	15.1
133.10010	1.0
137.05954	1.4
139.03938	1.6
144.06548	8.1
145.04967	32.8
145.12198	4.7
146.09616	2.0
149.06024	1.0
150.07643	6.2
156.06612	1.1
162.07631	6.4
163.03931	1.8
163.06052	9.6
163.07446	1.7
173.05911	0.9
179.06982	1.1
180.08658	6.8
190.08731	1.6
191.07054	6.8
193.04997	1.3
203.67496	1.2
204.08597	1.0
208.09700	14.2
215.07048	1.0
219.10124	1.3
223.06061	4.9
241.07072	6.8
241.14392	1.3
259.05804	1.2
259.07956	4.6
259.15485	2.1
271.15292	1.5
276.10785	1.4
289.16504	12.1
293.17270	1.1
294.11966	4.5
294.17581	3.2
295.10202	3.3
307.17215	1.1
312.12863	2.0
456.22601	5.5
466.67404	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	456.1717
Annotation	Unknow
Peak:m/z	Relative Intensity
52.24577	1.4
53.03934	3.9
55.01862	3.0
57.03424	3.7
61.02895	1.9
61.21832	1.8
68.99774	2.1
69.03441	11.9
70.06602	9.6
71.04997	17.0
71.08611	1.4
71.52410	2.1
73.02908	4.2
76.97958	1.5
81.03419	9.8
85.02904	29.9
86.09700	4.1
87.00818	10.7
88.11258	5.8
89.03929	7.1
97.02904	16.3
99.04446	5.9
105.01874	11.2
108.04467	1.7
109.02877	9.6
109.10146	4.2
113.06016	21.6
115.03898	1.7
117.01812	1.6
117.03381	13.5
123.26969	1.6
126.05609	1.5
127.03912	18.2
127.11216	10.7
131.07054	20.9
136.07553	1.4
137.06041	1.6
145.01749	2.7
145.02844	21.9
145.04962	9.8
145.08606	100.0
145.12247	4.0
149.06018	2.6
159.02927	6.8
163.03957	1.7
163.07425	1.8
171.65707	1.6
173.08127	15.2
177.05469	43.6
178.05899	3.6
179.07074	2.2
185.02943	1.5
191.09157	22.7
203.03922	1.5
206.11836	2.4
213.04025	2.2
231.05000	4.7
233.05487	1.8
236.05949	1.4
245.07892	1.7
248.07751	2.6
252.12378	2.4
275.06204	2.9
291.14523	2.5
294.13431	10.8
294.16275	1.5
304.09158	1.6
304.17404	1.5
311.54428	1.5
397.12006	2.1
411.18634	2.5
456.18954	5.3
456.28671	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.3525
Annotation	CHEBI:69223
Peak:m/z	Relative Intensity
53.03938	6.0
55.01867	5.3
55.05514	19.9
56.96562	9.5
57.03434	5.4
57.07061	6.8
59.04990	2.6
61.02901	3.1
65.03937	4.1
67.05506	55.6
69.03429	6.1
69.07068	31.6
69.15385	5.3
69.15786	19.2
71.04996	4.8
71.08627	2.6
73.02905	3.1
74.71665	2.0
79.05499	36.5
81.03414	5.1
81.07059	63.2
83.04977	7.6
83.08614	14.5
85.02914	5.9
85.06520	2.6
91.03977	2.2
91.05480	31.7
93.06480	4.5
93.07048	61.6
95.04975	7.9
95.08611	82.8
97.02913	2.6
97.06527	6.7
97.10171	11.3
99.08107	3.6
105.04511	2.5
105.07040	49.7
105.46841	2.3
107.04971	2.7
107.08595	100.0
108.08881	2.9
109.06529	5.5
109.10163	69.6
110.10501	2.7
110.97543	2.9
111.08109	7.2
117.07014	7.8
119.08590	81.2
120.08917	4.5
121.06503	3.7
121.10146	63.2
122.10360	3.3
123.08089	6.1
123.11719	21.9
125.09645	7.5
127.11239	3.7
127.34109	2.2
129.07033	4.1
131.08577	18.9
133.10127	58.0
134.10541	2.3
135.08092	8.4
135.11691	52.7
137.09641	5.6
137.13246	8.6
141.09111	2.2
141.26859	2.5
143.08575	10.1
143.50171	2.3
145.10127	40.0
147.11685	40.1
149.09634	7.9
149.13275	23.8
151.11163	4.7
155.08568	3.8
157.10130	16.1
159.11694	31.6
159.12880	3.1
161.09692	3.9
161.13269	44.9
162.13538	2.4
163.06134	2.4
163.07515	3.4
163.11166	11.2
163.14828	36.7
169.10088	4.4
171.11722	17.8
173.06082	2.5
173.11801	5.5
173.13303	20.8
175.11203	6.1
175.14838	43.6
176.15190	2.3
177.12706	3.6
177.16380	11.0
179.14365	6.1
181.12192	2.3
183.11697	6.4
185.13342	12.6
187.14832	29.0
189.12807	4.1
189.16415	23.0
191.10597	2.3
191.17993	8.9
197.13284	4.2
199.14810	11.9
201.16417	17.2
203.14333	2.4
203.17992	16.1
205.15921	11.6
207.13878	8.0
207.17279	4.6
209.11763	3.4
211.14848	4.9
213.16428	7.3
215.17969	25.3
217.07524	3.4
217.15880	4.9
217.19635	6.0
219.17497	4.9
225.16454	4.3
227.18031	10.3
229.07472	2.9
229.19510	19.8
231.17593	5.2
233.15431	4.6
233.18889	2.7
235.16911	2.9
239.18016	9.5
241.19536	16.2
243.21175	7.0
247.08493	2.6
247.17079	6.1
247.20720	3.2
253.19543	6.5
255.09132	2.9
255.21153	11.9
257.19107	3.4
257.22577	2.8
259.20651	4.0
261.18576	13.1
267.21097	5.1
269.22757	9.6
271.08517	3.0
275.20160	10.2
283.08694	2.3
283.24155	2.8
287.20111	10.2
295.24390	7.5
299.20132	3.5
301.21588	6.8
313.21750	7.0
313.25220	66.7
315.23218	7.8
317.11102	3.3
327.23264	4.5
341.24649	2.6
349.16696	2.9
355.26245	2.8
367.18427	2.8
369.28064	3.9
383.24362	6.1
391.33618	17.2
393.24161	3.5
409.34683	50.0
419.33127	10.1
437.34149	86.6
455.20856	3.8
455.25922	8.2
455.35257	85.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.3521
Annotation	Krukovine A
Peak:m/z	Relative Intensity
55.01866	4.5
55.05514	28.8
56.96540	4.1
57.07061	16.0
59.04988	7.8
67.05497	39.3
69.03421	6.6
69.07079	33.5
69.25085	3.6
71.04991	9.1
71.08624	13.1
71.52314	5.6
73.02903	4.7
79.05497	26.4
81.07059	65.8
83.08604	20.1
85.10170	11.9
89.06035	10.8
91.05462	21.2
93.07040	52.8
93.99220	4.2
95.04945	3.9
95.08614	77.3
97.06508	5.0
97.10178	9.6
99.08124	9.5
105.07028	46.5
107.08604	80.8
109.06520	3.9
109.09470	7.6
109.10156	76.8
111.11650	5.2
117.07012	4.4
119.08578	57.2
121.10152	62.7
123.08057	22.1
123.11714	23.6
125.09598	16.1
127.11236	18.2
129.06987	6.8
131.08543	18.1
133.08588	7.6
133.10126	53.8
135.08087	22.3
135.11694	51.2
137.09645	36.5
137.13252	12.9
143.08580	8.2
145.10146	37.9
147.07988	5.4
147.11682	42.9
149.09612	16.4
149.13268	33.0
151.07535	51.4
153.09097	12.8
157.10098	12.5
159.08078	6.4
159.11707	34.8
160.12320	4.1
161.09644	16.9
161.13300	29.0
163.11163	5.6
163.14844	23.0
165.09055	19.0
171.11679	10.0
173.09598	5.6
173.11909	4.7
173.13234	22.2
175.11130	17.3
175.14821	16.4
177.09195	5.3
177.12784	4.0
177.16373	7.0
179.14348	8.0
183.11598	5.9
185.13295	8.3
187.11160	9.3
187.14833	17.1
189.12727	8.2
189.16394	18.5
191.10678	6.1
191.17938	14.4
199.14845	7.0
201.16417	22.1
203.14310	66.2
203.17889	22.2
205.15851	7.4
207.17430	6.3
211.14839	4.9
213.16447	8.8
215.14391	8.4
215.17953	22.5
217.15927	6.1
217.19536	19.4
221.15443	7.2
227.18034	7.6
229.07578	5.0
229.15855	16.7
229.19479	11.7
231.17473	5.1
233.15395	6.1
241.19388	5.7
243.21025	5.8
247.16872	9.8
255.21083	9.8
256.61981	4.4
261.18506	9.4
279.21082	4.4
285.25797	4.5
287.20078	4.3
303.26797	5.9
315.23099	5.3
339.26804	4.8
353.24655	4.8
361.98499	4.6
369.28217	5.5
409.34650	35.8
419.32916	22.5
427.35394	6.4
437.34171	100.0
455.35184	71.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.3522
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.7
55.05516	8.1
55.91719	0.7
57.07072	3.4
67.05512	10.2
69.07076	10.2
69.33422	6.1
71.08640	1.2
77.73676	0.8
79.05497	8.0
81.07062	19.4
83.04981	0.9
83.08620	7.0
85.06533	1.3
91.05482	15.2
93.07054	23.0
95.08616	34.4
97.10188	3.3
98.20718	1.3
99.08097	18.9
105.06309	1.1
105.07037	33.6
107.08607	38.6
109.06553	1.0
109.10169	21.2
111.11723	0.9
116.06190	0.8
117.07050	4.1
119.08591	49.3
121.10152	29.0
123.11713	7.9
130.07759	1.5
131.08575	32.8
133.10143	44.6
135.11707	23.3
137.13274	3.6
142.07782	1.1
143.08560	4.4
144.09357	1.1
145.10135	31.7
147.11697	46.2
149.13260	11.9
157.10136	7.7
158.10970	1.1
159.11702	27.7
161.13278	16.4
163.14824	6.3
171.11745	3.6
172.12447	2.0
173.13271	11.3
175.14883	10.2
177.16473	3.5
179.14316	2.8
183.11716	1.9
184.32706	0.8
185.13332	3.5
187.14847	23.9
188.15680	0.8
189.16388	19.0
191.17963	100.0
192.18312	1.0
195.13832	0.9
197.13324	1.7
199.14859	4.0
201.16394	84.2
203.17975	29.6
205.15919	2.2
205.19542	3.2
209.29451	0.8
213.16399	2.7
215.17934	5.3
217.16124	1.4
217.19543	10.5
219.17444	13.7
225.16417	1.5
227.17944	1.6
229.15868	3.1
229.19615	3.6
231.21074	4.8
241.19525	1.1
243.21083	2.5
247.17004	3.5
253.19510	1.2
255.21118	1.4
259.20673	0.9
265.17999	1.6
267.21100	1.3
269.22672	1.1
289.56870	0.9
325.25204	1.0
337.28949	3.3
339.26639	1.1
353.28629	1.0
367.29755	0.9
391.33682	4.3
393.56995	1.0
409.34689	32.7
409.40121	1.7
419.33273	1.3
437.34235	9.0
455.35248	30.2
456.35855	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.3522
Annotation	Melilotigenin B
Peak:m/z	Relative Intensity
53.03942	6.6
55.05503	23.7
56.96574	3.0
57.03439	3.4
57.07082	17.5
58.07401	3.1
59.05015	3.6
61.02954	2.4
62.06092	10.8
65.03956	4.1
67.05509	61.4
67.85052	2.5
69.03435	4.9
69.07069	37.0
71.05006	4.8
71.08631	7.2
75.59979	2.6
79.05495	35.9
81.03447	4.1
81.07059	77.0
81.07528	4.4
83.04980	9.7
83.08630	18.0
85.02925	8.1
85.06538	6.4
91.05485	33.4
93.07050	64.6
95.04985	18.9
95.08611	100.0
95.24951	1.9
96.08971	3.1
97.01334	2.5
97.06545	10.6
97.10194	11.9
98.20747	8.3
98.98491	3.5
99.08079	3.0
101.06031	3.4
105.07036	67.1
107.08599	96.8
109.06518	18.5
109.10163	67.6
111.08091	9.4
117.07063	9.2
119.08590	75.8
121.06524	4.9
121.10154	69.4
121.11056	3.8
123.08076	14.2
123.11694	22.7
125.09682	11.2
129.07027	7.4
131.08569	35.9
133.10138	56.7
133.11087	3.1
135.08064	30.7
135.11702	45.9
137.09660	6.6
137.13280	9.6
142.07846	4.1
143.08571	14.3
144.09354	5.0
145.10133	49.6
147.11697	43.4
149.09671	11.2
149.13271	26.5
151.07594	10.6
151.11185	5.3
156.09296	2.8
157.10153	20.6
158.10954	2.6
159.11703	57.0
161.09633	8.7
161.13258	52.8
163.11249	10.5
163.14818	19.9
165.12787	3.4
169.10130	4.2
171.11732	13.8
173.09740	2.6
173.11864	3.2
173.13245	32.4
175.11234	7.8
175.14818	32.6
175.16028	2.6
177.12842	5.2
177.16431	11.3
179.14474	3.9
183.11714	2.6
185.13290	10.8
187.11247	3.1
187.14842	24.3
189.12794	2.6
189.16412	19.1
191.14308	3.2
191.17937	5.8
193.15910	4.1
197.13359	5.7
199.14897	17.7
201.16365	40.9
203.14278	13.5
203.18005	15.4
205.15904	13.9
207.17427	5.6
209.13412	2.7
211.14812	4.7
213.16399	12.8
215.17966	31.6
216.06432	2.3
217.15993	6.7
217.19652	5.7
219.17482	24.8
221.15472	10.1
221.19066	5.2
225.16484	5.5
227.18076	4.4
229.16103	5.8
229.19568	6.8
231.17583	9.3
233.18977	11.9
235.17055	3.0
239.18047	6.2
241.19586	4.6
243.21327	3.9
247.17017	6.7
253.19626	2.6
255.21262	2.6
267.21274	4.4
282.28110	2.9
283.25244	2.8
283.28217	19.0
287.19986	3.0
313.27698	3.2
314.27734	36.0
314.30997	3.5
327.89877	2.3
339.26968	4.4
341.28738	2.6
367.68555	4.6
379.30109	5.7
391.33615	4.6
397.31119	7.6
409.34845	8.6
419.33182	18.7
425.34421	3.7
427.35950	7.1
437.34280	97.3
438.34772	2.6
455.26437	5.5
455.35419	79.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.352
Annotation	CHEBI:69223
Peak:m/z	Relative Intensity
53.03926	2.1
53.45938	2.5
53.47044	2.2
55.05509	10.5
57.07078	2.8
67.05515	19.6
69.07068	17.0
69.63577	4.7
69.63996	10.0
70.74655	2.2
71.21532	2.0
72.20526	2.2
79.05500	12.7
81.07056	41.4
83.08624	7.4
91.05479	18.2
93.07047	37.7
95.04982	2.7
95.08605	63.4
97.06535	3.2
97.10183	5.2
98.20847	3.7
105.07032	32.6
107.08598	64.6
109.10161	38.7
117.07024	5.1
119.08584	47.3
121.10153	48.5
123.08064	2.4
123.11698	20.1
131.08572	19.2
133.10147	43.6
135.11696	35.3
137.13266	7.7
143.08627	8.7
145.10143	28.5
147.11699	30.9
149.13257	18.7
153.09119	3.0
155.08517	4.1
157.10120	12.1
159.08145	2.3
159.11665	25.1
161.13275	36.5
163.11165	3.1
163.14824	47.2
171.11734	16.2
173.13277	23.3
175.14819	27.5
177.09192	2.4
177.16435	9.3
179.14322	4.5
183.11716	3.4
185.13304	9.6
187.14830	22.7
189.16368	14.3
191.17963	3.7
197.13347	3.5
199.14862	8.7
201.16431	18.1
203.18013	14.1
205.16014	5.8
207.13930	4.1
209.13274	2.6
211.14867	5.0
213.16374	9.0
215.17917	32.4
217.19568	6.3
227.17960	7.9
229.19543	23.7
233.15327	3.5
239.17950	9.3
241.19434	12.0
243.21187	11.4
247.17000	5.9
247.20613	3.0
253.19577	3.4
255.21083	16.3
261.18542	14.4
267.21103	8.9
269.22598	11.3
273.18579	5.3
273.22018	2.7
275.20132	7.7
281.22818	3.8
287.19998	11.8
289.21701	4.2
295.24277	6.3
299.20175	5.0
301.21674	9.2
313.21744	5.7
315.23212	13.0
321.25763	3.7
367.26154	2.8
391.33582	23.7
409.34683	55.7
410.34824	2.4
419.33038	9.2
437.34186	100.0
443.46506	2.5
455.35254	96.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.3519
Annotation	CHEBI:69223
Peak:m/z	Relative Intensity
53.03933	2.7
55.05504	10.9
56.63305	2.3
57.07075	5.3
60.11096	2.2
62.35091	2.2
67.05499	15.1
69.07066	18.5
70.02868	8.2
70.03264	4.7
71.93594	2.2
79.05489	13.8
81.07059	41.3
83.08624	8.6
91.05461	12.6
93.07050	41.7
95.08610	55.9
97.10168	6.1
98.20834	3.6
104.82691	2.5
105.07031	29.1
107.07877	4.1
107.08598	63.4
109.10156	39.3
111.08084	2.8
117.06998	4.8
119.08581	52.2
121.10152	51.0
123.11710	19.2
127.11243	3.2
131.08559	17.4
133.10127	36.4
135.11699	40.8
137.09563	2.3
137.13234	8.9
143.08597	5.6
145.10133	29.5
147.11662	29.2
149.13292	15.6
153.09079	3.3
157.10115	10.1
159.11696	25.8
161.13263	24.5
163.14828	51.1
168.64359	2.4
169.10085	2.8
171.11723	13.6
173.13275	22.1
175.14803	17.9
177.16382	9.2
179.14392	5.0
183.11646	3.7
185.13266	11.5
187.14810	18.7
189.16359	14.7
191.18022	5.4
197.13263	2.6
199.14839	10.6
201.16386	17.9
203.17921	11.9
207.13820	3.8
209.15350	4.0
211.14836	4.3
213.16368	7.2
215.17914	33.4
225.16374	2.6
227.17955	9.8
229.19496	30.1
231.21075	2.6
233.15532	2.4
239.17953	8.8
241.19469	14.1
243.21103	10.7
247.16902	5.5
253.19470	4.5
255.20984	14.3
257.22760	5.1
259.20581	2.9
261.18488	19.3
267.21109	4.6
269.22705	10.9
273.18552	3.1
275.20160	4.9
283.24194	2.8
287.19992	13.5
289.21747	4.2
295.24246	4.1
299.19995	4.1
301.21542	11.3
313.21512	7.1
313.25186	3.0
315.23276	11.1
319.22983	2.9
341.24664	5.1
391.33698	19.9
394.92288	2.4
409.34641	51.7
414.25192	2.6
419.33026	6.9
437.34174	100.0
455.35220	96.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.352
Annotation	Lansionic acid
Peak:m/z	Relative Intensity
53.03947	3.2
53.59999	2.6
55.05516	18.4
57.07077	4.9
67.05504	23.0
69.07063	27.7
69.47069	9.3
69.47472	11.5
70.53474	3.2
79.05493	26.2
81.07063	66.5
83.08594	15.1
91.05477	24.7
93.07049	67.9
93.07633	3.5
95.05010	3.8
95.08611	100.0
97.10173	8.9
99.08089	10.4
105.07031	61.4
107.08597	88.6
109.06516	4.8
109.10157	60.9
111.08079	84.6
115.05267	3.1
117.07036	7.6
119.08587	93.2
121.06539	3.7
121.10139	73.5
123.08148	5.8
123.11699	16.5
129.07063	3.8
131.08571	34.2
133.10136	73.1
135.11694	32.8
137.13248	5.5
139.11176	13.1
143.08566	4.9
145.10127	50.0
147.11693	75.2
149.13260	46.9
153.09158	3.9
157.10112	10.7
159.11697	36.8
161.13240	50.1
163.14844	32.0
165.12753	4.5
171.11758	6.6
173.13258	28.3
175.14830	41.6
177.16380	33.4
185.13306	6.7
187.14812	31.7
189.16394	72.1
191.17947	60.3
199.14832	8.2
201.16374	81.4
203.17963	75.4
205.15871	17.5
205.19492	5.1
207.17444	15.5
213.16415	10.1
215.17946	21.2
217.15973	4.4
217.19595	8.3
219.17450	21.3
221.19086	9.2
227.17955	5.1
229.19641	6.7
231.17535	5.3
231.21233	4.0
233.19075	4.4
235.16983	5.0
241.19423	7.0
243.20961	3.9
247.17003	15.3
249.18529	9.8
257.22690	4.3
261.18454	6.0
261.22180	4.8
269.22778	3.7
351.30255	3.9
381.18921	3.1
391.33496	11.7
397.31152	7.7
409.34698	74.4
409.40186	4.7
419.33145	3.8
425.34015	10.4
437.34210	42.2
455.35150	49.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.3329
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05439	1.7
55.05499	7.8
57.03441	1.8
57.07077	92.0
58.04216	3.4
59.05005	26.0
65.44656	2.0
65.87968	1.8
67.05495	6.8
69.07057	7.2
69.78792	7.0
71.08636	100.0
72.05763	4.1
73.02934	3.2
73.06541	5.3
79.05489	3.8
81.07066	8.4
82.07823	1.9
83.08614	5.3
85.10185	85.4
86.07336	3.0
87.04488	9.8
88.05246	3.0
88.07642	15.5
89.06033	11.4
90.01920	30.6
93.07023	5.2
95.08594	8.8
96.09333	2.3
98.20850	2.9
99.11752	9.7
103.07559	7.0
105.07028	3.2
105.24184	1.8
106.28646	2.1
107.08604	5.5
109.10138	5.6
117.09149	4.3
119.08598	2.9
121.10126	3.5
129.25731	2.0
133.08597	2.4
133.10120	3.7
135.11641	2.1
138.14006	5.4
141.16380	12.1
145.10054	3.7
147.11685	2.0
178.06976	2.0
181.19727	2.0
185.19072	2.9
196.08202	1.7
198.19844	2.8
199.20581	15.8
201.16447	1.9
218.51842	1.9
222.09700	7.6
225.29303	2.4
240.10802	9.1
242.24785	3.8
243.23235	5.5
274.70407	1.9
284.13608	2.8
324.00140	2.0
411.43930	1.9
438.30511	2.8
455.34982	3.9
455.45724	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	455.3156
Annotation	Unknow
Peak:m/z	Relative Intensity
54.30358	4.0
55.01860	4.0
55.05505	24.8
56.96584	4.1
57.03434	8.9
57.07085	6.3
64.60851	3.8
67.05507	64.3
69.03468	3.6
69.07063	27.6
71.04969	10.7
71.08608	5.1
78.29417	3.9
79.05498	33.9
81.03400	6.8
81.07063	72.8
83.04988	11.3
83.08618	13.6
85.02892	6.8
85.06536	7.0
91.05479	49.9
93.07047	60.5
95.04982	13.4
95.08611	77.0
97.06519	10.8
97.10134	7.1
99.08060	4.2
105.07031	85.0
107.08595	74.1
109.10162	68.2
111.08097	6.0
116.09306	3.7
117.07030	27.7
119.08589	100.0
121.06544	8.1
121.10141	40.4
123.11715	6.0
128.06267	5.1
129.06999	16.1
131.08582	65.6
133.10136	64.7
135.08083	4.5
135.11688	27.8
137.09598	6.7
137.13229	4.7
139.05896	3.7
141.06966	6.7
142.07767	4.6
143.08589	31.1
145.06503	4.6
145.09070	5.9
145.10129	82.4
147.08054	7.4
147.11720	39.2
149.09624	7.4
149.13219	23.3
151.07487	4.1
151.11182	9.8
155.08495	9.8
156.09308	7.2
157.10141	26.2
158.10963	4.0
159.11696	52.7
161.09660	11.2
161.13280	94.7
163.11194	11.6
163.14822	29.6
169.10161	11.8
170.10948	5.1
171.11691	25.4
173.11842	6.6
173.13234	45.2
175.14825	35.5
177.12744	43.8
177.16380	12.6
179.10719	4.7
181.10095	4.3
183.11700	11.3
184.07382	5.6
184.12430	4.8
185.13246	26.9
185.34264	3.9
187.11195	7.2
187.14810	82.2
189.12741	21.5
189.16374	36.1
191.14281	22.4
191.17986	6.8
195.11717	4.2
197.13219	12.5
199.14818	33.9
201.12744	5.7
201.16389	65.8
203.14337	12.1
203.17934	29.4
205.12210	5.2
205.15974	9.0
207.13707	33.1
209.11684	5.2
211.14827	8.9
213.05420	4.7
213.16341	10.9
215.14252	11.4
215.17976	13.0
217.15898	11.3
219.17499	9.9
221.15433	6.7
225.16356	12.4
227.17909	7.7
229.15973	4.2
229.19502	4.9
229.85983	5.0
233.15367	15.0
241.19563	4.4
243.17490	15.9
245.15399	6.5
247.17046	20.9
261.18552	19.6
278.91965	4.1
283.15082	4.2
292.12463	5.0
371.74844	4.9
373.28714	14.1
375.30325	5.5
391.29907	45.4
393.31427	5.9
409.30981	68.5
411.27591	5.3
419.22250	10.3
419.29239	19.1
437.23291	21.0
437.30362	27.9
455.26221	15.7
455.31607	37.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.2178
Annotation	Unknow
Peak:m/z	Relative Intensity
54.99277	0.4
55.01859	0.5
55.05498	0.8
56.96552	0.6
67.05497	0.9
68.52225	0.4
69.03421	0.9
69.07071	0.7
70.06590	3.4
71.04988	0.6
72.08154	34.4
81.03403	0.6
81.07024	0.7
82.06567	1.2
83.04958	0.4
84.04536	0.4
84.08118	1.1
85.02905	0.9
89.03901	0.8
91.05465	1.8
93.07054	1.0
94.06564	1.1
95.04984	0.5
95.08593	0.8
96.08096	0.6
97.02882	0.8
98.09674	0.7
98.97561	1.2
100.85573	0.4
105.07027	1.2
108.08099	0.8
109.02856	0.8
116.06342	0.4
116.98601	0.7
117.03372	1.3
119.04945	0.8
119.08540	0.5
120.08072	1.3
121.06526	0.4
122.06030	0.8
122.09692	0.5
123.04431	7.3
127.03889	0.6
133.10179	0.6
134.09651	1.5
135.04442	1.1
136.11223	7.4
139.03902	1.3
141.06995	0.6
145.02826	3.7
145.10059	0.5
146.09622	0.5
147.04433	3.8
147.10487	0.5
148.11224	2.3
149.05991	0.9
149.12041	0.6
151.03902	5.7
160.11272	0.8
161.05980	1.0
162.12836	0.6
163.03894	3.2
165.05452	1.0
174.12868	0.5
176.07091	0.4
177.05476	8.2
181.05142	0.4
186.02719	0.4
187.07657	0.8
188.06969	0.4
188.10767	0.6
188.14259	0.4
189.05476	3.0
190.08606	1.2
191.06995	1.5
203.05643	0.8
204.06567	1.3
204.10269	0.7
205.08627	0.9
207.06529	0.8
215.07166	2.4
215.08862	0.4
216.06415	0.4
216.10176	1.2
217.08577	1.8
219.01619	0.4
228.06613	0.5
229.07367	0.9
229.10977	1.4
230.11755	1.3
232.09686	17.8
234.11192	2.7
244.09692	1.4
244.13283	1.2
250.92758	0.5
256.09576	2.4
257.10397	1.9
258.11252	4.4
258.14841	1.2
268.13293	1.0
286.14380	42.9
287.05624	0.5
287.14865	0.5
298.14487	0.7
303.17029	100.0
304.17325	1.4
315.17062	4.5
342.25610	0.5
366.13461	1.0
420.17783	0.9
437.20694	4.4
438.19125	0.9
455.14722	10.9
455.21713	21.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.1526
Annotation	TyrMe-His-OH
Peak:m/z	Relative Intensity
50.61704	0.3
66.92162	0.3
70.06581	0.4
71.36427	0.3
71.52260	0.4
72.08176	0.5
75.79245	0.3
78.88137	0.4
85.02888	0.7
89.03911	0.7
91.05481	0.4
93.90450	0.4
97.02871	0.4
98.97559	0.4
105.07051	0.5
117.03388	0.8
122.02388	1.1
123.02769	0.5
123.04415	0.5
131.12436	0.4
135.04430	0.7
138.05296	0.4
139.03906	0.7
140.03416	0.3
144.08086	1.2
145.02861	1.2
159.04399	2.3
163.03914	2.2
164.04346	0.5
176.04547	0.3
177.05482	2.0
195.73180	0.4
213.12497	0.4
303.40994	0.3
317.08316	0.7
323.10855	1.1
396.84183	0.3
417.61850	0.4
431.07150	0.4
434.54868	0.4
455.15286	100.0
456.15585	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	454.3739
Annotation	Unknow
Peak:m/z	Relative Intensity
53.02892	0.8
53.03964	1.0
55.05500	3.6
56.85468	1.0
57.03423	1.1
57.07079	96.4
59.05005	16.5
61.67582	0.9
66.93562	1.0
67.05486	4.2
69.07066	4.4
71.08634	100.0
71.17718	1.3
72.08141	1.1
72.48585	0.8
75.68124	0.8
79.05481	2.5
81.07039	3.0
83.08613	3.5
85.10184	86.5
87.04458	1.8
89.06035	64.0
91.05451	2.6
93.07045	3.1
95.08601	3.8
97.02861	1.2
97.10151	3.4
99.11736	9.5
103.07597	6.5
105.07037	2.2
107.07084	2.0
107.08605	4.3
109.10150	2.9
119.08580	4.5
121.10121	2.4
123.11687	1.5
125.09705	0.8
129.72577	0.8
130.08646	1.6
131.07054	1.6
131.08568	0.9
133.08607	69.4
133.10182	2.5
141.16385	11.6
145.10144	2.2
147.11603	2.7
149.13266	1.3
151.09654	1.7
159.11662	2.4
173.13338	1.1
175.09698	2.0
175.14729	1.1
177.11230	17.1
177.12735	1.9
187.14894	1.5
189.16399	2.5
195.12230	2.0
199.20578	14.1
201.16391	2.2
203.18027	1.7
221.13820	9.4
229.19308	0.9
239.12570	2.0
239.14905	34.9
243.23244	6.7
271.12164	1.3
279.17944	6.6
283.17480	5.6
297.19193	4.9
313.27313	3.1
409.34460	1.6
435.73434	1.1
437.34708	20.0
454.33597	2.2
455.36148	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	454.2928
Annotation	LysoPE(0:0/16:0)
Peak:m/z	Relative Intensity
55.05500	1.9
57.03436	3.7
57.06793	0.7
57.07079	21.1
62.06093	24.9
63.19541	0.5
64.53983	0.5
67.05509	4.0
69.07071	2.9
71.08636	14.5
71.37955	0.7
81.07064	4.8
83.08625	3.9
85.10189	7.8
89.06038	0.6
95.08614	7.9
97.06573	0.6
97.10175	2.3
98.91375	0.5
98.98464	5.2
103.07579	0.8
107.08562	0.5
109.10146	3.7
111.11714	0.6
113.13316	0.5
123.11718	1.8
124.01635	1.3
137.13290	0.5
142.02654	1.5
155.01030	4.6
173.02058	0.7
198.05247	1.9
216.06284	3.4
239.23706	1.3
257.24835	0.6
261.53677	0.5
282.27908	12.3
313.27371	100.0
314.27710	1.2
379.22736	0.5
393.23987	7.1
430.23901	0.5
436.28336	5.6
454.29617	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	453.3365
Annotation	Stellettin J
Peak:m/z	Relative Intensity
55.05505	7.8
57.07074	3.6
67.05486	13.7
69.07069	16.6
70.77321	9.7
77.87385	3.8
79.05473	11.7
81.07059	41.1
83.08607	10.1
87.95634	3.6
91.05482	17.7
93.07042	30.2
95.08607	69.2
97.10147	4.5
105.07032	54.6
107.08597	50.6
109.06505	5.2
109.10168	32.1
111.08078	11.0
117.07008	7.2
119.08588	75.2
120.14489	3.5
121.10137	31.1
123.08051	4.0
123.11668	14.2
129.06989	4.1
131.08592	26.4
133.10123	43.8
135.11700	17.4
137.13228	5.9
143.08519	18.5
145.10127	50.9
147.11714	32.1
149.13237	13.7
151.11197	6.0
153.09123	5.3
155.08554	3.7
157.10117	23.9
159.11728	29.1
159.98685	3.1
161.13266	49.6
163.14844	18.7
169.10095	11.8
171.11659	22.1
173.13260	22.7
175.14832	28.5
177.16376	23.4
179.14293	29.9
183.11713	9.6
185.13242	11.5
187.14845	34.4
187.40817	3.3
189.16406	41.0
191.14432	4.2
191.17920	6.9
193.15866	24.4
197.13237	13.4
199.14828	22.8
201.16399	41.4
203.17979	43.8
205.15955	23.1
209.13211	5.3
211.14766	6.3
213.16356	25.5
215.17953	17.9
217.15939	21.3
219.17458	14.1
225.16444	9.3
227.17950	14.1
229.19463	7.4
231.17403	18.0
235.16942	8.1
237.16302	19.0
239.18008	20.9
241.19447	10.7
245.19006	5.4
247.16882	6.0
249.18512	8.6
253.19487	11.6
255.20897	3.9
257.18982	10.2
259.16928	4.4
259.20605	8.0
261.18631	6.1
267.21155	6.3
271.20535	12.8
273.18442	4.7
277.19653	3.5
279.21176	3.7
285.18488	18.4
299.20123	7.5
349.28900	3.8
376.87234	3.4
389.31842	16.6
395.29367	10.2
407.33054	86.9
423.32526	7.3
435.32678	33.2
453.33630	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	453.3364
Annotation	Stellettin J
Peak:m/z	Relative Intensity
55.05516	20.8
67.05507	30.8
69.07071	20.8
70.77299	2.5
70.77608	6.1
79.05495	27.5
81.07063	67.4
83.04985	3.0
83.08626	12.1
91.05486	23.3
93.07047	56.8
95.04986	10.3
95.08612	94.0
97.06512	2.6
97.10198	5.7
105.07034	70.0
107.08598	77.1
109.06514	3.5
109.10159	46.9
111.08067	2.9
117.07037	9.4
119.08589	99.5
121.10155	45.4
123.08075	6.5
123.11707	13.9
125.09606	6.6
128.06235	3.5
129.07013	7.8
130.07813	3.4
131.08583	40.2
133.10144	54.3
135.11720	23.0
137.09663	3.4
137.13144	3.5
142.07779	4.3
143.08560	26.7
144.09378	5.6
145.10135	58.0
146.10796	2.6
147.11693	38.6
149.13266	53.0
153.09117	6.9
155.08595	6.4
156.09401	4.9
157.10124	39.8
159.11682	56.3
161.09705	3.4
161.13251	32.6
163.11229	4.6
163.14812	30.8
169.10152	9.6
170.10947	2.7
171.11676	24.7
173.13292	23.0
175.11255	3.2
175.14816	41.0
177.16394	21.3
179.10674	2.8
179.14351	3.6
183.11714	10.2
185.13287	17.1
187.14828	42.4
189.16383	100.0
191.14310	3.5
191.17982	14.1
193.15863	4.3
195.11800	3.4
197.13263	7.9
199.14784	40.0
201.16405	70.3
203.14450	4.0
203.17976	22.7
205.15878	7.7
207.17409	5.7
209.13266	6.0
211.14894	9.5
213.16385	33.7
215.14406	4.2
215.17915	22.0
217.15891	36.1
219.17459	21.8
223.14931	5.5
225.16452	13.3
227.17903	21.5
229.15929	5.8
229.19542	7.0
231.17435	19.8
233.15273	3.0
233.19049	4.2
235.16994	11.9
237.16585	5.8
239.17973	11.9
241.19553	10.8
243.17513	3.6
243.21074	4.7
245.19176	6.3
247.16936	4.2
251.17934	4.4
253.19579	7.9
255.21091	4.3
259.16965	3.3
261.18549	3.5
265.19553	5.1
267.21112	8.3
271.20740	2.6
273.18466	4.3
279.21103	4.2
281.22708	7.0
283.20578	4.8
285.18616	5.5
291.21060	3.4
292.07950	3.4
293.22583	6.2
295.24350	3.4
313.21579	3.0
325.21545	4.6
327.23096	4.5
327.36447	2.9
333.25836	4.3
389.32004	35.2
395.29483	3.8
407.33121	97.3
417.31699	4.4
423.32629	3.4
425.34186	3.3
426.17908	2.6
435.32639	70.7
453.33701	87.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.3365
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	3.3
55.05292	1.6
55.05511	15.0
57.07071	6.3
65.03927	2.0
65.15060	1.4
67.05184	1.8
67.05507	24.6
69.03407	2.3
69.07064	20.4
70.61051	1.5
71.16522	3.7
79.05490	20.9
81.06592	3.6
81.07053	55.1
83.04993	2.2
83.08611	9.2
91.05477	22.3
93.07040	43.5
95.04955	4.3
95.08606	79.2
97.06520	3.6
97.10151	4.3
103.82590	1.6
105.07030	69.3
107.08595	57.9
109.06506	7.1
109.10162	42.7
109.44786	1.7
111.04474	1.6
111.08083	14.5
111.11715	1.9
117.07005	9.1
119.08578	82.5
119.80322	1.5
121.09325	3.0
121.10142	40.8
123.08051	2.7
123.11707	17.3
125.09644	3.2
128.06238	2.5
129.07010	5.3
130.96906	1.4
131.08572	27.5
131.79417	1.6
133.10132	53.2
135.08072	2.8
135.11699	26.9
137.09641	2.3
137.13254	4.4
139.11194	4.1
142.07765	2.4
143.08566	25.6
144.09306	2.9
145.10118	50.3
146.53653	1.5
147.11687	30.7
149.09651	2.9
149.13272	14.7
151.11176	5.6
151.14806	3.7
153.09103	3.9
155.08566	4.5
156.09372	2.7
157.10126	19.9
158.10999	1.7
159.11674	34.4
161.09622	2.5
161.13255	72.4
163.07669	2.6
163.11142	3.1
163.14819	16.3
165.12772	3.0
168.09227	2.0
169.10109	15.0
170.10771	2.0
171.11697	20.7
173.13260	21.4
175.14796	24.6
177.09088	3.2
177.16402	12.3
179.14311	43.6
181.10054	2.8
181.15871	3.5
182.10822	2.0
183.11690	11.4
185.13243	11.4
187.14807	27.6
189.16359	21.6
191.14284	3.3
191.17905	7.8
193.15889	17.4
195.11737	4.2
197.13318	9.2
199.14806	15.7
200.15578	3.1
201.16371	36.0
201.18221	1.8
203.14320	3.6
203.17947	27.6
205.15833	12.3
205.19475	4.0
207.17606	2.8
209.13284	2.5
211.14828	6.7
212.15608	2.1
213.16353	15.9
215.14412	2.9
215.17932	19.0
217.15891	10.7
217.19521	2.0
219.17474	15.4
221.18996	2.0
223.14795	2.9
225.16389	7.1
227.17935	6.8
229.15999	3.9
229.19528	4.9
231.17390	7.3
233.15373	3.2
233.18939	4.1
235.17026	3.0
237.16365	23.7
239.17897	16.6
241.15727	1.6
241.19542	8.0
243.21132	2.2
245.19202	1.8
247.16940	14.2
249.18564	6.7
251.17946	4.4
253.19547	12.1
255.21100	3.4
259.16937	1.9
259.20590	11.1
261.18457	9.7
265.19440	2.7
267.21063	5.1
271.20584	8.7
273.18570	4.7
275.19879	2.3
277.19568	2.4
279.21082	3.8
281.22604	3.3
283.20444	2.2
285.18512	12.3
287.20251	1.8
293.22662	5.6
299.20105	11.9
301.21625	5.0
311.23529	13.7
327.23340	2.5
337.25137	4.7
349.28876	5.2
377.32010	3.5
389.32071	13.9
395.29291	8.8
407.33087	65.1
423.32617	6.2
435.32697	30.5
453.33624	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	453.3365
Annotation	Stellettin J
Peak:m/z	Relative Intensity
53.03955	3.3
53.24889	1.2
55.05511	16.6
56.74590	1.1
56.96579	1.5
57.03440	2.4
57.07075	4.5
59.04997	1.5
65.03954	1.5
67.05507	30.1
69.03455	1.6
69.07069	18.9
71.05007	2.3
71.08630	1.8
71.52532	1.3
72.08151	2.9
77.03922	1.3
79.05492	24.0
79.05904	1.6
81.03447	2.1
81.07060	43.6
81.07522	2.4
82.28159	1.2
83.04971	2.1
83.08621	14.6
85.06568	3.8
91.05479	26.0
93.07046	48.4
95.04993	3.8
95.08612	62.1
97.06522	5.7
97.10200	3.6
99.08091	8.6
103.05512	1.9
105.04578	1.7
105.07036	53.6
107.08602	73.5
109.06538	2.9
109.10162	55.9
111.08101	7.5
115.05477	1.5
117.07024	9.5
119.08585	88.9
121.06514	1.2
121.10149	60.1
123.08076	3.0
123.11720	15.5
125.06011	1.9
125.09656	3.0
127.11227	2.0
128.06233	1.7
129.07048	4.5
130.07829	2.0
131.08568	34.0
133.10132	61.7
135.08104	2.7
135.11697	35.0
135.12700	2.2
137.09676	2.9
137.13315	4.7
139.07594	1.3
141.07048	2.9
142.07803	2.2
143.08559	13.8
143.09540	1.3
144.09367	2.3
145.10127	55.1
147.11693	41.3
149.13240	14.2
151.11263	1.4
151.14920	1.9
153.09117	2.6
155.08638	5.6
156.09402	2.1
157.10139	25.0
158.10939	2.0
159.11700	43.2
161.09705	2.7
161.13268	25.3
163.07584	3.0
163.11165	2.1
163.14827	17.0
165.12750	2.4
168.09413	1.5
169.10129	7.7
170.10982	3.2
171.11690	22.3
172.12517	1.7
173.09732	1.5
173.11833	3.2
173.13248	32.4
175.14839	25.2
175.16232	1.9
177.09216	2.9
177.16399	23.9
179.10803	3.3
179.14395	5.0
181.10165	2.4
182.11067	2.0
183.11661	9.2
184.12518	2.4
185.13269	14.4
187.11313	1.7
187.14832	29.7
189.09160	1.8
189.12842	2.3
189.16388	39.4
189.18103	2.0
191.10736	1.7
191.14354	2.4
191.17964	5.7
193.12302	2.1
193.15871	6.3
195.11815	3.7
195.13867	1.7
196.12640	2.4
197.13319	8.1
198.14076	1.8
199.11292	2.3
199.14839	24.9
199.16579	1.5
201.16393	51.7
203.10736	2.1
203.14352	2.6
203.17975	19.1
203.19717	1.6
205.12256	2.3
205.15990	4.7
205.19714	1.5
207.17577	3.0
209.13322	4.5
210.14197	1.4
211.14850	8.0
213.16377	21.7
215.14493	1.8
215.17960	19.2
217.12234	2.1
217.15836	6.8
217.19594	5.2
219.13869	3.3
219.17606	5.3
221.19075	1.5
223.14914	3.1
225.16385	6.6
227.17970	22.4
229.16092	2.1
229.19582	5.9
231.13890	2.5
231.17554	3.1
233.15501	5.0
233.19112	2.2
235.14915	2.1
237.16582	4.3
239.17964	9.1
241.19585	8.7
243.21138	6.7
245.15396	8.7
245.19093	3.0
247.16875	7.4
251.18063	3.3
253.19530	9.8
255.17583	1.6
255.21121	3.7
259.16992	12.2
259.20786	1.5
265.19617	2.9
267.21237	5.3
269.22913	1.4
271.20740	1.8
273.18680	11.6
273.22061	2.0
279.21207	2.8
281.22833	3.3
283.24344	2.0
285.18677	5.1
285.22006	1.9
287.20306	3.2
287.23669	2.0
293.22839	4.2
297.18643	2.9
297.22208	1.3
299.20163	8.7
301.21753	2.4
305.22864	2.2
307.24570	1.6
311.23630	1.7
313.21701	3.0
313.25040	1.2
319.24295	2.4
325.21585	3.0
327.23267	2.4
335.27518	3.0
339.23593	2.7
347.27557	1.6
351.23157	2.3
365.24692	1.6
367.26474	3.0
379.26541	1.6
389.32101	14.7
391.33859	1.3
407.27820	2.6
407.33136	47.9
408.33478	2.1
417.31772	2.6
435.32626	57.2
453.16791	39.7
453.24060	2.8
453.33908	100.0
454.34192	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.3366
Annotation	Stellettin J
Peak:m/z	Relative Intensity
53.03942	2.1
55.05508	6.6
56.75990	0.9
57.07076	5.0
65.03914	1.2
67.05506	15.6
69.03421	1.9
69.07075	13.7
69.31754	3.1
69.32178	5.7
70.83458	0.9
70.86391	0.9
71.04981	2.2
71.08616	2.1
75.79083	1.0
76.57106	1.0
79.05490	11.5
81.07059	29.1
83.04993	2.2
83.08610	4.9
85.10183	1.6
91.05475	8.4
93.07044	23.4
95.04961	1.0
95.08607	43.8
97.06534	1.9
97.10140	3.1
104.45874	0.9
105.07030	22.9
107.08599	35.3
109.06515	2.3
109.10159	30.1
111.08044	1.5
111.11737	1.3
117.07014	3.7
119.08589	25.9
121.06493	1.8
121.10143	33.7
123.08092	2.2
123.11703	9.4
128.17644	0.9
129.07033	2.4
129.56332	0.9
131.08565	10.6
133.10139	26.9
135.08073	2.1
135.11699	17.7
137.09674	1.5
137.13261	2.9
139.07538	1.7
142.07730	1.3
143.08545	5.9
144.09279	2.1
145.10129	16.6
147.08009	1.5
147.11682	23.0
149.09621	2.0
149.13268	10.2
153.09076	2.2
155.08542	1.6
156.09428	1.4
157.10124	8.7
159.08064	1.6
159.11670	16.1
161.09637	2.5
161.13235	12.0
163.07494	1.5
163.11198	2.5
163.14854	6.6
165.09081	1.8
167.10724	2.4
169.10167	2.9
171.11685	8.8
173.13281	10.6
175.11153	1.5
175.14815	7.6
177.16393	4.8
179.10834	1.2
183.11702	3.7
185.13216	6.2
187.11247	1.3
187.14821	9.7
189.12759	3.2
189.16365	19.6
191.10680	1.2
191.14290	1.6
191.17981	3.6
197.13272	2.5
199.14833	9.0
201.12541	1.2
201.16374	16.5
203.14322	3.2
203.17966	25.6
205.12222	1.5
205.15866	1.6
209.13359	1.6
209.15291	1.4
211.14850	2.8
213.16348	5.2
215.14409	2.2
215.17960	10.4
217.16060	1.4
217.19560	4.6
219.13812	1.4
221.15332	1.9
225.16446	2.7
227.17964	4.1
229.19595	2.9
231.13866	2.1
231.21074	2.1
235.16966	2.7
237.16473	1.4
239.17963	2.3
241.19536	2.2
243.21152	3.5
245.15302	1.1
247.16989	1.5
249.18529	1.4
253.19533	2.8
253.62027	1.0
255.17490	1.1
255.21034	1.7
257.18887	1.3
259.17090	1.6
263.16425	2.5
269.22614	1.7
273.18524	2.7
282.27859	3.4
283.24289	1.7
301.18271	1.0
303.19388	1.0
313.27344	7.4
315.23318	1.9
323.27408	2.3
333.25659	1.2
337.29001	1.7
343.22632	2.2
347.27289	2.3
348.28433	1.2
355.26355	1.8
365.28436	7.5
365.32364	2.0
375.30432	1.5
389.31827	2.1
393.31583	11.7
407.33112	9.2
411.32562	3.0
417.31540	2.5
424.12613	1.0
425.34177	22.5
435.32584	22.5
453.33685	100.0
454.33902	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	453.1376
Annotation	Catechin 3'-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
52.66139	0.7
55.01878	0.7
56.96305	0.7
56.96569	10.1
61.02924	0.9
65.03899	0.7
67.05478	1.1
69.03426	1.4
70.06577	2.9
70.10161	2.9
80.30880	0.7
81.03391	1.2
82.69095	0.7
83.13228	0.6
85.02903	3.5
86.09695	0.8
89.03896	1.0
91.05482	0.8
95.04953	1.2
97.02876	1.6
98.97572	2.5
107.04955	0.8
111.04421	1.0
116.98616	1.2
117.03390	1.9
119.04942	2.0
120.08054	1.3
123.03589	1.0
123.04432	16.6
124.99138	1.7
126.14909	0.7
127.03911	1.6
130.06558	3.9
134.04442	1.1
135.04424	4.5
139.03905	28.8
141.02245	0.9
142.08672	0.9
143.00171	2.7
144.08063	1.1
145.02803	2.5
147.04356	4.5
151.03899	2.0
159.03259	1.2
159.07751	0.7
161.01212	1.9
161.05920	1.4
163.03914	14.2
165.05476	3.4
167.00175	1.3
169.01688	1.3
170.99617	1.3
172.07596	1.6
175.00621	1.1
179.00259	0.8
185.01215	1.8
187.02745	2.4
189.00693	0.7
193.01738	2.1
194.99649	0.8
197.01259	1.0
203.02251	2.0
209.01241	2.1
211.02803	0.8
213.00677	2.5
218.99690	2.5
219.17279	0.8
221.01231	1.1
221.03214	1.3
227.13910	1.5
231.01813	3.4
237.00748	5.5
247.05988	1.4
249.02847	2.9
250.10341	0.7
251.02310	1.1
255.01762	15.0
257.04559	0.8
273.02820	10.8
273.07553	1.8
291.08698	5.4
301.03644	1.1
317.08319	1.5
323.04510	1.1
349.06122	1.1
367.03174	1.1
368.05212	0.7
375.03790	0.9
377.05811	1.1
383.07187	0.7
393.04977	4.3
393.14108	1.1
411.05923	7.9
429.07101	8.9
453.13602	100.0
454.13904	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	453.1369
Annotation	Aspalathin
Peak:m/z	Relative Intensity
55.01867	0.4
56.96563	6.0
67.05502	0.4
67.76125	0.4
69.03410	1.3
70.06580	1.8
71.52431	0.6
73.02899	0.5
84.04496	0.4
84.96072	0.5
85.02895	1.4
89.03922	0.8
91.05507	0.6
94.14138	0.4
95.04958	0.4
97.02919	0.9
98.09701	0.5
98.97585	1.6
100.11243	1.0
107.04944	0.5
109.02896	0.5
116.98563	0.4
117.03374	1.1
119.04929	0.5
123.04423	5.0
124.99111	1.1
127.03926	0.7
130.06516	1.7
130.08612	0.5
131.00137	0.5
134.04527	0.4
135.04391	1.9
137.05959	0.6
139.03902	7.2
140.61696	0.4
141.02179	0.4
142.08633	0.9
143.00166	2.2
144.08102	0.5
145.02855	1.3
147.04420	1.5
151.03880	0.6
159.03236	0.7
161.01254	1.3
163.03908	7.5
165.05481	0.6
167.00201	0.6
169.01637	0.7
170.99748	0.5
173.08115	0.4
173.11531	0.4
175.00542	0.9
177.05544	0.4
185.01236	1.5
187.02725	0.6
189.00665	0.7
193.01776	1.4
194.99573	0.5
200.09290	0.5
203.02287	0.9
205.03700	0.4
209.01184	0.8
211.02811	0.7
213.00694	1.1
218.99672	0.6
227.13948	0.8
227.17503	1.1
231.01799	2.0
237.00705	4.0
247.05835	0.6
249.02863	1.5
255.01733	8.6
273.02792	6.8
273.07477	0.6
279.01688	0.4
287.05280	0.4
291.08878	1.4
295.76971	0.4
316.03806	0.4
317.08447	1.6
323.04303	1.0
367.03232	0.6
375.03986	1.1
377.05963	0.5
393.04855	2.5
393.14594	0.6
411.06000	5.8
429.07080	4.6
435.17752	0.5
453.13647	100.0
454.13892	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.12
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02375	1.0
53.03943	1.0
55.01860	2.0
56.96573	0.6
59.34848	0.6
65.03894	0.5
67.05509	1.4
68.99790	2.0
69.03430	1.4
69.28330	4.4
70.06586	0.6
71.05010	0.7
72.08129	1.1
75.90318	0.6
79.05486	2.7
80.47308	0.5
81.03403	2.0
81.07065	1.5
83.08641	0.8
85.02897	1.2
89.03925	2.1
89.36654	0.6
91.05486	3.8
93.03397	1.7
93.07034	1.1
95.05006	2.9
95.08605	1.7
97.02892	1.7
97.06512	1.6
100.11250	1.6
103.05447	0.8
105.03361	0.9
105.07021	2.1
107.04979	3.2
109.02857	0.8
109.10166	1.5
110.83531	0.6
110.99590	0.5
111.04472	1.0
115.05478	0.9
117.03402	1.5
119.04942	7.3
119.08597	0.8
121.10175	1.1
123.04431	55.3
131.04939	1.7
133.06464	1.1
133.10094	1.0
135.04425	14.0
135.11699	1.1
137.02347	31.6
137.03398	1.2
137.05957	1.5
138.04572	0.6
139.03909	8.3
143.04924	2.0
143.10635	0.7
145.02831	2.3
145.10129	0.7
147.03230	1.2
147.04410	21.2
147.11737	1.0
149.05977	1.0
151.07475	0.6
153.01816	1.2
159.04420	1.7
161.05984	7.5
163.03915	33.9
164.04211	1.0
165.01863	2.9
165.04181	1.1
165.05486	15.3
167.07005	0.6
169.06595	0.6
173.06003	0.9
175.03914	2.1
177.05458	1.6
179.03522	3.4
179.07036	3.0
179.08401	0.8
183.02902	1.6
185.05939	1.0
187.03902	2.6
189.05475	2.7
191.03398	100.0
197.05817	0.9
201.05528	1.1
201.16478	1.0
203.03419	7.8
203.06985	1.5
205.04988	4.2
205.08514	0.8
207.02965	2.3
207.06511	8.3
213.05521	2.3
215.07047	1.6
217.04956	1.5
217.08537	0.7
221.04350	4.1
225.05463	0.7
229.05141	0.9
231.06563	0.8
232.08226	0.6
233.04405	2.3
237.18541	1.0
241.05032	1.6
243.06496	0.6
247.06087	1.9
255.06610	0.8
259.06027	8.1
259.09061	0.9
260.09949	1.1
261.10574	2.1
271.05978	4.7
273.07431	0.8
283.05954	1.4
285.07632	1.2
289.07010	1.3
291.08670	0.8
301.07077	29.3
313.07040	16.2
317.06650	6.2
325.06970	1.4
343.08133	48.2
393.09686	0.8
411.10788	7.7
435.11185	3.7
441.83875	0.7
453.11838	6.9
453.20975	3.5
453.34280	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.1195
Annotation	Unknow
Peak:m/z	Relative Intensity
54.44646	1.1
55.01870	2.3
55.05516	9.4
67.05499	4.0
68.99791	1.9
69.03429	3.2
69.33736	10.0
70.06567	1.6
79.05481	4.0
81.03398	2.6
81.07031	2.5
82.06574	2.9
83.04985	2.8
83.08176	1.6
83.08621	10.1
84.04516	1.7
89.03922	1.4
91.05492	2.6
93.03387	1.6
93.07026	1.8
95.04950	3.1
97.02879	1.4
100.07607	3.5
100.11260	58.0
107.04943	4.2
109.02916	1.4
110.06043	2.9
111.04445	6.1
112.07607	1.2
115.05462	1.5
117.03362	2.3
119.04960	6.4
123.04437	49.2
128.07059	4.2
131.04941	2.3
133.77052	1.0
135.04416	14.1
137.02353	26.4
137.03392	1.4
139.03902	13.7
139.08647	4.6
140.07094	2.6
143.04977	2.2
145.02823	3.3
147.04424	18.9
147.11673	1.3
151.03899	1.8
159.04501	1.5
161.05977	7.9
163.03914	41.0
164.04195	1.6
165.01871	4.3
165.04370	1.3
165.05505	11.5
167.08508	1.9
174.06723	1.2
175.03909	2.7
179.03374	4.2
179.07077	2.4
182.15404	15.8
185.05975	1.6
187.04004	2.1
189.05476	2.3
191.03406	100.0
199.03882	1.5
203.03369	6.1
203.06921	1.7
205.04974	2.6
207.06541	7.0
209.16467	19.6
210.14874	19.8
213.05446	1.7
213.09027	2.1
215.07037	1.8
216.07452	2.0
217.05025	2.3
221.04480	4.3
226.19160	5.3
230.99080	1.3
233.04506	2.2
241.04941	2.4
251.07082	1.6
259.05975	7.6
259.09653	4.3
260.10098	4.2
261.10220	4.4
262.18069	1.3
271.06009	4.5
301.07028	25.9
313.07095	14.8
317.06549	6.4
325.07001	3.6
326.27921	2.8
336.22855	3.2
343.08154	44.7
411.10672	7.3
435.10858	3.5
435.33267	18.4
449.78244	1.4
453.12479	5.2
453.21124	21.6
453.34363	97.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.118
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02374	0.4
53.03945	0.6
55.01871	2.0
59.28685	0.3
62.64888	0.3
65.03935	0.6
67.05497	1.2
68.99780	1.6
69.03436	0.8
69.27834	2.9
77.03931	0.8
79.05484	2.8
81.03407	1.0
81.07052	0.3
85.40989	0.3
89.03918	1.1
91.05493	2.3
93.03400	1.8
94.64317	0.3
95.01289	0.3
95.04962	1.4
97.02885	0.6
97.06523	0.6
105.03389	0.7
105.04487	0.4
105.07034	0.4
107.04946	4.2
107.48325	0.3
109.02870	0.9
109.06503	0.4
110.23194	0.4
111.04446	0.7
113.56704	0.3
115.05443	0.7
116.37241	0.3
117.03402	1.9
119.04945	5.9
119.75119	0.3
121.02887	0.7
123.04430	47.6
127.03913	0.5
131.04910	1.6
133.06503	1.0
135.04419	12.8
137.02345	25.8
137.06009	0.5
139.03900	4.3
143.04898	2.0
145.02827	2.4
147.04407	18.0
149.02299	0.4
149.06003	1.1
151.03928	0.7
153.01871	1.0
153.05490	0.8
157.06534	0.4
159.04427	1.0
161.05978	6.8
163.03909	27.9
165.01851	3.4
165.05486	12.3
171.04448	1.0
172.90314	0.3
173.05983	0.8
175.03922	1.7
177.01810	0.6
177.05466	1.3
179.03391	2.3
179.07016	2.2
183.02914	1.2
185.06024	0.6
187.03941	2.3
189.01862	1.4
189.05495	2.2
191.03395	100.0
192.03917	0.9
199.03952	0.4
201.05472	0.6
203.03400	6.1
203.07060	0.7
205.04962	2.3
207.02939	1.1
207.06538	6.2
213.05530	1.8
215.03375	0.7
215.06995	0.7
217.04961	1.0
221.04472	3.5
229.04927	0.7
231.06567	0.8
233.04408	1.7
241.04988	1.6
243.06422	0.5
247.06071	1.9
249.07552	0.8
259.06021	8.3
259.08951	0.6
259.09885	0.4
271.06064	3.5
273.07504	0.6
279.64938	0.4
283.06104	1.1
289.07062	0.8
291.08603	0.7
301.07071	27.9
313.07068	12.8
317.06613	5.1
317.10165	0.7
325.07050	1.5
343.08133	46.7
344.08365	0.5
393.09683	1.1
411.10706	6.7
435.10645	2.5
453.11850	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	453.0707
Annotation	Unknow
Peak:m/z	Relative Intensity
51.20403	1.1
56.61873	0.9
56.96568	62.6
58.34469	0.9
71.52084	1.4
71.95277	1.5
74.97649	1.2
78.40844	1.1
84.96037	2.5
89.03926	4.4
96.97387	1.0
98.97597	16.1
101.00909	3.1
109.67841	1.0
110.97522	1.3
112.99139	7.3
113.00870	2.3
115.02410	1.8
116.98618	3.7
117.03370	2.8
117.04076	1.9
119.01907	3.4
124.99114	16.3
127.00724	2.3
127.02399	1.2
128.98607	2.5
131.00159	6.4
131.01915	4.3
133.03479	1.9
135.04303	6.3
137.00891	1.1
139.00662	3.6
141.02232	13.2
141.03976	1.4
143.00159	22.2
143.01924	4.0
145.01805	1.3
145.02841	4.6
148.99191	1.3
150.42706	0.9
151.00696	4.2
152.98625	2.1
155.01913	9.2
156.02707	1.5
157.01692	1.9
157.03474	2.0
159.03304	8.6
159.05034	7.6
161.01227	9.3
161.03008	1.7
163.00729	1.2
163.03897	28.0
167.00175	6.3
168.98135	1.8
169.01765	11.9
169.03349	1.7
170.99701	3.1
171.05029	12.0
173.02969	5.6
173.06589	2.2
175.00691	12.8
176.98546	2.2
177.06102	2.3
183.05122	1.2
185.01234	16.1
185.02884	2.3
186.99202	3.0
187.02768	11.5
187.04381	1.5
189.00746	4.5
189.06064	5.5
191.00154	4.2
193.01740	13.4
194.99666	8.9
200.98659	2.0
201.06087	6.5
203.02278	16.4
203.04063	5.3
203.07664	2.0
205.03856	2.5
206.63567	1.1
206.99669	2.6
209.01253	8.7
209.03096	1.3
211.02806	9.4
213.00690	14.1
213.06111	3.3
218.99586	13.4
219.07211	2.5
221.03279	4.3
221.05176	9.3
225.00737	3.3
227.02281	2.0
229.03877	2.4
231.01756	29.2
237.00702	34.8
239.04031	1.2
243.07274	1.8
249.02863	17.3
255.01773	100.0
259.06601	1.7
261.08194	18.9
267.03943	1.5
273.02814	73.6
278.03391	1.0
279.09222	24.2
291.03809	1.3
305.03284	2.0
307.04999	2.4
311.04263	1.4
323.04480	8.5
331.04843	2.8
341.05511	2.0
345.10345	2.5
347.04495	2.1
349.02240	2.9
349.06003	5.2
357.10318	1.6
365.05365	5.5
367.03360	8.0
367.07330	2.2
375.03949	10.8
385.04507	1.5
393.04877	31.1
393.12399	47.4
411.05975	58.8
413.48688	1.3
429.07056	40.0
434.07733	1.2
453.07071	21.7
453.13632	2.9
471.08270	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	452.3499
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	0.4
56.05027	0.6
58.06591	1.0
59.07368	0.2
60.08165	12.6
66.68448	0.2
66.70055	0.2
67.05499	0.4
69.07068	0.6
69.81759	1.1
71.07375	3.2
73.16545	0.2
81.07063	0.4
85.26469	0.2
86.09707	25.0
95.08593	0.3
95.75034	0.2
98.20773	0.2
98.98470	3.1
104.10744	100.0
105.07072	0.3
105.11037	0.3
107.08559	0.4
119.08565	0.3
121.10143	0.2
123.08072	0.2
125.00006	19.8
143.00957	0.2
173.37036	0.2
184.07347	23.3
189.53239	0.2
199.14801	0.2
222.20665	0.2
261.58679	0.2
297.60968	0.2
384.62668	0.2
407.33380	0.3
434.34137	0.3
452.35013	28.6
453.35016	0.4
478.83588	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	452.1765
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02381	0.6
53.03947	0.6
56.96567	4.2
57.03432	3.3
59.04993	0.8
60.04514	0.6
61.02919	0.7
63.62837	0.4
67.05492	0.7
69.03434	12.7
70.06586	0.6
71.51685	0.7
76.84061	0.5
77.03949	0.5
81.03418	0.8
84.96043	0.6
85.02905	9.5
87.04472	9.7
89.03900	0.6
97.02293	0.9
97.02892	10.6
98.97575	2.5
105.03419	1.1
109.02885	2.0
115.03931	14.7
116.07091	0.8
116.98608	0.6
117.03381	0.9
123.04432	100.0
124.04776	0.7
124.99099	0.5
127.03931	1.8
133.04967	18.3
135.04424	1.2
136.07573	1.5
137.05991	1.0
137.07886	0.5
138.05479	2.0
139.03885	1.0
140.07138	0.6
141.02199	0.8
141.05455	1.4
141.06561	1.0
143.00172	1.0
145.04988	1.7
150.07652	1.9
151.04007	0.6
161.01244	1.6
161.05968	0.7
163.03931	6.0
165.05484	1.4
170.99626	0.5
173.88354	0.5
177.05458	0.5
187.02866	1.0
201.02222	0.8
213.00656	0.6
219.08006	0.5
221.03510	0.5
231.01802	0.9
237.00769	1.6
237.07552	0.9
249.02937	1.2
255.01660	3.3
259.08237	1.4
267.04324	0.5
272.16855	1.2
273.02875	2.5
274.02591	0.5
277.09064	0.6
279.75659	0.5
289.06970	0.5
295.10352	1.0
313.64075	0.5
337.79190	0.6
392.03635	0.8
393.04849	0.6
410.05115	0.7
411.06110	1.9
429.07172	1.9
439.74054	0.6
452.16550	0.7
452.23026	1.0
453.07178	0.7
473.09891	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.3208
Annotation	Versicolactone D
Peak:m/z	Relative Intensity
55.01875	3.6
55.05510	11.3
57.03426	3.0
57.07080	2.4
60.08161	2.1
67.05509	20.2
69.03425	4.1
69.07067	23.6
69.32999	7.6
69.33424	7.8
69.69183	1.8
71.05003	2.3
79.05492	17.6
81.03403	4.4
81.07056	30.6
83.05035	4.0
83.08619	9.8
86.09700	2.4
89.03896	4.7
91.05490	23.7
92.90104	2.2
93.07045	31.2
95.04965	6.5
95.08608	42.2
97.02900	3.9
97.06523	39.8
97.10189	3.7
103.05456	4.1
104.10729	4.7
105.03415	1.8
105.07028	37.8
105.11095	1.8
107.04942	4.1
107.08599	31.8
109.06510	4.1
109.10158	22.8
111.04452	3.6
111.08062	4.0
117.03397	8.0
117.07036	6.8
119.08579	55.1
121.06503	21.7
121.10147	23.7
122.06849	5.1
123.08064	2.8
123.11684	7.1
125.09624	3.5
128.06238	2.6
129.06999	5.5
131.08572	20.1
132.62892	1.8
133.10132	33.5
135.04439	18.2
135.08043	4.4
135.11700	9.9
137.05966	3.2
137.13258	2.6
138.05502	7.3
139.03867	3.2
139.05798	2.1
142.07755	5.7
143.08557	14.9
145.02840	14.3
145.10127	32.4
147.11678	19.6
149.09650	3.4
149.13271	8.0
153.09048	2.7
156.09381	2.4
157.10155	19.2
159.11696	24.8
161.02408	3.5
161.09662	3.3
161.13251	26.5
163.03902	91.3
163.07507	2.5
163.14867	3.6
167.08569	3.7
169.10100	8.8
170.10927	1.9
171.11685	15.5
173.02353	5.2
173.09555	2.3
173.13287	15.2
175.14810	20.5
177.09171	2.7
177.16362	4.3
179.14285	11.3
181.10023	2.7
183.11731	10.1
184.07343	5.9
185.13298	10.1
187.14832	17.5
189.12816	2.9
189.16383	7.6
191.14284	2.2
193.10088	1.8
193.15880	17.9
195.11708	5.9
197.13309	9.2
199.14803	22.9
201.09077	2.4
201.16400	21.6
203.14296	2.9
203.17986	5.8
205.15863	3.6
207.11746	2.9
209.13380	4.0
210.13922	2.0
211.14836	8.7
212.46332	2.3
213.16393	13.1
215.07072	6.1
215.14238	2.4
215.17883	3.9
217.15930	6.2
219.13702	3.0
221.13428	2.3
223.14841	5.8
225.16420	6.0
227.18025	5.6
231.17506	3.8
235.14807	2.2
237.16257	9.6
239.18016	5.9
240.14839	2.2
241.08754	1.9
241.19495	3.9
243.17563	2.2
245.15495	2.2
247.17058	2.1
249.16441	3.2
251.17946	4.6
253.19576	3.7
257.19037	4.7
259.09650	96.4
259.17032	2.7
260.10034	1.9
265.19470	4.5
267.21106	2.4
271.20505	2.9
277.19736	2.3
279.21219	1.9
281.22705	2.6
283.16959	4.2
291.20959	2.6
297.18619	4.2
299.20016	2.6
317.22458	2.3
325.21414	2.0
331.24289	2.6
339.23407	2.3
341.20859	2.6
359.22253	4.2
359.27017	3.2
363.26718	2.4
377.28323	3.1
387.30411	8.2
393.27805	2.9
405.31528	47.9
407.33029	4.5
421.30768	2.5
423.28827	8.2
433.25870	2.6
433.31027	19.8
451.26669	26.2
451.32034	100.0
452.32547	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.3207
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02374	1.1
53.03942	2.4
55.01867	3.6
55.05509	9.0
57.03431	1.2
57.07074	2.5
59.39887	0.9
65.03926	2.3
67.05502	15.6
69.03429	1.8
69.07066	24.3
69.32387	8.9
69.88618	1.0
71.04981	2.5
71.38557	0.9
73.77752	1.1
79.05490	20.2
81.03388	2.6
81.07056	29.0
83.04976	4.4
83.08620	4.5
85.02882	1.4
85.06520	1.1
86.09676	2.0
89.03922	5.6
91.05483	14.4
93.07044	21.4
95.04962	6.6
95.08609	30.4
96.04520	1.0
97.02898	2.4
97.06527	36.8
97.10185	1.9
97.34815	0.9
98.09659	1.1
99.08118	2.5
103.05466	1.2
105.04448	1.0
105.07027	33.7
106.07372	1.1
107.04966	2.7
107.08591	32.1
109.06528	2.6
109.10158	14.8
111.04497	1.3
111.08069	5.0
117.03378	9.3
117.06993	6.0
119.04986	1.1
119.08582	48.3
121.06498	3.5
121.09301	2.1
121.10137	18.7
123.04437	1.8
123.08046	2.3
123.11683	6.8
124.99965	1.3
125.09634	2.6
128.06204	2.3
128.22458	1.0
129.07007	5.9
130.07814	1.2
131.08559	19.2
133.02869	1.4
133.06456	1.1
133.10127	24.8
133.11099	1.8
134.03642	4.5
135.04405	14.0
135.08066	2.4
135.11676	11.6
137.06082	1.4
137.09621	1.8
138.05496	8.3
139.05844	3.1
139.11189	1.7
141.07021	2.4
142.07799	3.0
143.08575	13.1
144.09328	2.0
145.02850	15.1
145.06532	1.2
145.10141	29.8
145.11281	1.5
147.08034	1.9
147.11678	18.7
149.09645	2.1
149.13260	6.2
151.07602	1.5
151.11234	1.5
153.07031	1.1
153.09094	2.2
155.08575	4.6
156.09306	2.8
157.10117	21.0
158.10947	1.1
159.08148	1.2
159.11682	23.2
161.02370	3.3
161.05988	1.1
161.09662	2.2
161.13245	21.6
162.03062	1.4
163.03902	88.0
163.07539	2.4
163.11179	1.7
163.14816	4.1
167.08629	2.2
169.10103	8.7
170.10858	1.9
171.11716	14.3
173.02310	5.9
173.09650	1.3
173.13243	17.0
175.07503	1.1
175.11292	1.7
175.14810	19.2
177.16393	5.1
179.14299	12.2
180.09207	1.2
181.10147	3.1
182.10974	1.4
183.11674	7.2
184.07336	5.0
184.12512	2.4
185.07787	2.0
185.09584	1.8
185.13231	10.7
187.14818	17.5
189.16396	5.5
191.03357	1.7
191.14313	2.3
193.12350	1.1
193.15886	12.5
195.11717	4.6
197.13281	9.9
199.14827	18.6
201.16396	15.4
203.14355	1.4
203.18031	3.0
205.15868	5.4
207.02887	1.3
209.13347	4.3
211.14848	7.8
213.16389	12.1
215.07013	9.3
215.14227	1.9
215.17992	3.5
217.05022	1.6
217.15923	5.9
219.11812	1.6
219.13866	2.4
219.17445	3.4
221.13315	2.1
223.14845	4.1
225.16376	7.2
227.17958	6.9
229.15892	1.6
229.19583	1.7
231.13774	1.5
231.17465	4.2
233.15411	2.5
233.19067	1.4
235.14868	4.0
237.16360	6.1
239.18019	3.9
241.08540	8.7
241.19557	2.8
245.15413	2.2
245.18953	1.6
247.17036	1.6
248.81171	1.1
249.16348	1.5
251.17972	4.3
253.19583	4.8
257.15424	1.7
257.18973	2.6
259.09656	100.0
259.20499	1.3
260.10150	1.3
263.18011	2.1
265.19559	3.4
267.21011	1.7
271.16895	1.7
271.20624	4.5
273.18591	1.7
277.19495	1.7
279.21063	1.8
281.22549	1.9
283.20322	2.1
285.18661	1.7
285.22043	1.6
291.21085	1.9
295.20972	1.4
297.18665	3.0
299.20111	1.4
299.23740	2.1
309.22113	1.7
311.20157	1.7
325.21573	2.1
347.27383	2.6
352.48499	1.3
359.22211	3.5
387.30402	7.3
393.27823	5.0
405.31628	34.5
407.32993	2.6
415.30524	1.1
421.30963	3.0
423.29007	3.4
433.21414	1.1
433.31113	13.9
451.32120	70.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.3209
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	29.6
56.96573	8.7
57.07064	6.7
61.02932	7.2
64.51456	5.3
67.05235	4.8
67.05511	52.0
69.03435	7.3
69.07063	28.7
71.52098	7.9
79.05495	51.0
81.03446	9.0
81.07063	94.6
83.04998	8.0
83.08632	19.9
86.09727	6.2
91.05485	46.8
93.07045	55.2
95.04957	20.8
95.08611	77.0
97.06524	11.5
97.10174	18.1
105.07034	73.1
107.04988	6.5
107.08596	66.8
109.06520	22.1
109.10150	41.4
111.08100	8.4
117.07021	14.6
119.08588	83.8
121.06520	6.3
121.10155	35.6
123.11747	14.2
125.09651	10.6
127.07603	8.3
131.08577	40.6
133.10146	52.6
135.11707	23.7
141.07004	7.7
142.07895	6.5
143.08582	25.9
145.10143	59.1
147.07985	6.2
147.11679	34.6
149.09673	13.7
149.13284	13.5
151.11224	8.1
155.08531	14.1
157.10136	29.0
158.70702	5.9
159.11659	45.3
161.09604	6.5
161.13292	50.4
163.11157	8.2
163.14830	13.6
169.10123	14.1
171.11678	27.7
173.11923	8.2
173.13271	29.5
175.11168	7.6
175.14815	25.3
177.16409	10.2
179.10519	5.4
179.14326	26.2
181.10088	9.0
183.11742	12.8
184.07372	7.1
185.13306	31.0
187.14839	29.3
189.11119	5.5
189.16399	9.9
193.15903	11.3
195.11739	16.4
197.13312	14.7
199.14827	22.0
201.16342	35.0
205.15877	11.7
207.13828	8.4
209.13255	7.3
211.14883	13.1
213.16385	21.6
215.17982	6.6
217.15947	6.4
219.17346	9.2
223.14934	8.0
225.16379	16.7
227.17966	7.0
231.17551	8.9
235.14967	12.2
237.16423	20.9
237.42746	6.2
239.17908	9.5
241.19736	5.8
247.16743	7.0
251.17972	11.6
257.19220	7.6
259.09616	15.3
259.17041	10.7
263.17853	5.5
283.16824	10.3
297.18524	8.4
341.21060	11.5
347.27509	7.1
359.22153	18.7
393.27930	11.0
405.31604	50.9
433.25931	10.4
433.30960	43.8
451.09906	6.6
451.26776	21.7
451.32047	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.3208
Annotation	Puliscabrin
Peak:m/z	Relative Intensity
55.05515	17.0
65.03931	3.2
67.05506	22.4
68.29842	2.0
69.07054	11.5
69.53320	1.6
70.96829	2.2
70.97156	3.3
79.05499	22.4
81.06586	3.1
81.07057	47.3
83.04993	4.4
83.08608	4.0
91.05487	24.1
93.07041	38.7
95.04964	5.7
95.08614	51.4
96.62428	1.8
97.06526	3.8
99.08084	5.8
105.07034	56.4
107.08599	59.7
109.06528	2.8
109.10162	27.9
115.05445	2.6
117.01044	2.0
117.07012	10.6
119.08587	82.6
121.10143	31.4
123.08051	4.9
123.11713	5.8
128.06204	5.9
129.06998	7.5
130.07784	2.4
131.08578	33.1
133.10138	27.1
135.11661	13.0
137.13280	2.4
141.07083	2.1
142.07793	8.2
143.08557	25.3
144.09392	2.8
145.10133	51.3
147.11685	31.1
149.13226	12.0
151.07535	2.9
153.09030	3.0
155.08533	12.2
156.09386	6.9
157.10141	36.6
158.10905	4.3
159.11703	41.2
161.13257	24.6
163.07555	4.9
163.14835	8.1
165.12782	2.1
167.08554	2.8
168.09375	3.0
169.10153	17.7
170.10970	3.3
171.11705	23.3
173.13264	26.9
175.01590	2.6
175.11203	2.4
175.14828	25.7
177.12755	2.3
177.16380	3.3
181.10117	6.8
181.12250	3.8
182.10974	3.1
183.11690	14.7
185.13278	19.1
187.11275	3.0
187.14818	35.4
189.16368	15.7
191.38443	1.9
193.10150	5.6
193.15953	3.0
195.11774	6.1
196.12430	2.2
197.13275	15.8
199.14841	34.5
201.16417	33.4
203.14372	3.8
203.17952	3.6
205.12285	2.2
205.15894	4.8
207.11697	5.6
209.13254	9.4
211.14828	13.7
213.16393	25.1
215.14333	8.9
215.17970	6.1
217.15895	11.2
219.13780	5.1
219.17419	2.9
221.13348	3.3
222.92528	1.8
223.14796	11.1
225.16408	12.8
227.17862	9.9
229.15837	5.5
231.17494	6.0
233.15378	5.6
235.14865	5.0
237.16359	12.1
239.18030	7.3
241.19522	4.7
245.15385	5.5
245.19054	4.6
247.17004	2.9
250.16914	2.2
251.18030	8.4
253.19429	7.6
259.16876	3.3
263.18127	3.2
265.19571	6.6
273.18582	2.6
275.17737	2.4
277.19458	4.9
279.21051	9.8
281.22644	8.2
283.20599	4.1
285.18680	2.4
291.21066	4.7
293.22812	3.0
297.22052	2.1
299.23730	3.7
307.24194	3.1
309.22226	3.0
317.22705	3.6
323.20090	2.7
325.21707	3.1
327.23282	2.9
331.24435	2.2
333.25687	3.3
351.23245	2.9
353.24890	3.3
377.31985	2.5
387.30518	28.5
393.28058	4.7
395.10431	3.5
405.31534	64.9
423.32788	3.3
433.31104	50.4
451.32123	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.3206
Annotation	Versicolactone D
Peak:m/z	Relative Intensity
50.53313	2.2
50.87619	2.2
53.96470	2.2
55.05517	11.7
56.92021	2.3
57.07047	2.5
64.20168	2.5
67.05502	10.2
69.07056	10.4
70.76409	3.6
70.76759	5.1
79.05496	12.1
81.07051	26.2
83.08605	4.8
91.05479	16.9
93.07047	24.3
95.08608	35.6
97.10182	3.3
98.68913	2.8
99.08064	2.6
105.07032	34.3
107.08586	34.0
109.06502	3.6
109.10137	21.1
111.08080	7.8
117.07019	6.9
119.08584	61.7
121.10146	19.8
123.11704	9.9
129.06969	3.5
131.08562	17.5
133.10127	30.0
135.11688	16.2
142.07823	4.3
143.08562	13.9
145.10144	37.0
147.11691	20.8
149.13251	7.0
155.08586	3.6
156.09348	3.6
157.10107	17.6
159.11685	25.6
161.13246	35.1
163.14842	6.9
169.10216	8.4
170.10899	2.5
171.11670	13.7
173.13261	20.9
175.14828	28.2
177.16368	4.4
179.14317	19.7
181.10094	4.1
183.11716	7.8
185.13232	8.5
187.14806	20.0
189.16342	4.6
191.14346	3.4
191.17943	2.3
193.15903	22.3
195.11723	3.4
197.13324	10.0
199.14848	19.3
201.16376	19.0
203.18092	3.4
205.15895	4.7
209.13277	6.7
211.14871	5.6
213.16307	13.0
215.10669	2.3
215.18088	6.2
217.15941	6.4
221.13139	3.4
223.14833	4.3
225.16428	6.9
227.10468	2.3
227.17897	6.1
231.17462	4.6
233.15446	2.7
237.16385	3.8
239.17924	4.1
241.19638	4.9
245.15500	5.3
247.16873	3.7
251.17958	8.4
253.19540	5.2
257.18973	4.3
259.17075	7.9
259.20694	3.1
265.19574	7.1
267.21173	3.5
271.20593	8.8
277.19562	3.0
280.67743	3.1
283.17087	3.4
285.18417	3.4
297.18494	6.8
299.20120	5.9
311.20175	3.3
369.24039	3.2
381.24219	4.5
387.30484	8.6
393.27994	11.6
405.31567	40.0
407.33112	6.7
421.31012	6.8
423.29132	2.9
433.30997	21.8
451.32098	100.0
452.32382	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	451.2369
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01529	0.9
56.96568	19.2
57.03433	0.8
57.07083	1.5
59.31287	1.0
67.05508	2.4
69.07059	1.7
70.76971	1.2
70.77306	2.1
71.08621	1.2
71.95262	3.8
72.96025	1.5
81.07053	2.5
83.04950	1.2
84.96031	1.6
89.06071	1.1
93.07008	1.6
95.08635	1.7
97.06544	0.9
97.96822	1.3
98.97595	3.3
105.07075	1.0
107.08595	2.3
108.20746	0.9
109.06599	1.3
109.10186	1.3
110.97617	3.1
112.99176	0.9
123.01198	1.2
128.98671	4.6
131.00208	1.3
137.02768	1.2
146.99614	2.0
171.03339	1.2
189.04312	1.2
210.10736	0.9
245.10686	1.1
247.52769	0.9
259.09979	1.2
307.96732	1.0
312.32748	1.0
317.17889	100.0
318.18277	2.0
333.69983	0.9
335.18921	30.9
339.23151	1.1
358.20554	18.7
359.20694	1.4
391.21561	12.3
443.30731	1.1
451.32556	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	451.16
Annotation	Unknow
Peak:m/z	Relative Intensity
51.38588	0.5
51.53194	0.5
53.03942	0.9
53.83819	0.4
55.01866	1.4
55.05514	1.0
57.03426	1.0
67.05495	2.2
67.90895	0.4
69.03430	0.9
69.06735	0.6
69.07070	6.5
70.23696	2.0
79.05490	6.2
81.07041	0.6
83.04989	0.7
89.03923	1.2
91.05447	0.4
95.05001	0.8
97.06532	60.7
111.04504	0.8
117.03363	3.4
133.02805	0.9
134.03587	1.0
135.04411	4.9
145.02837	4.3
159.04407	3.7
161.02348	12.8
163.03906	33.1
167.08580	0.6
173.02339	18.9
185.05954	0.8
187.03938	0.6
187.07475	0.6
189.05464	0.7
191.03331	1.3
204.23274	0.5
215.07027	28.0
259.09656	100.0
260.09882	0.8
300.10416	0.5
433.15063	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	450.285
Annotation	Unknow
Peak:m/z	Relative Intensity
52.79694	0.9
55.01886	1.0
55.05496	4.3
58.50010	0.9
59.88581	0.9
65.03911	2.2
65.77811	1.0
67.05504	35.8
69.07076	5.1
70.57119	3.1
71.04990	1.0
79.05507	8.2
80.34532	1.1
81.07055	39.8
83.04964	1.6
83.08605	6.4
83.69000	0.9
85.06550	1.9
86.09676	1.2
91.05483	16.6
93.07053	10.1
95.04970	1.1
95.08610	39.2
97.06516	3.4
97.10147	4.3
105.07004	3.5
107.08614	7.2
109.10155	25.5
111.08083	3.1
117.07016	1.3
119.04944	21.9
119.08562	4.6
121.10159	10.4
123.08054	1.7
123.11720	10.5
131.08519	2.4
133.10130	12.0
135.11696	9.4
137.09602	4.6
137.13237	4.0
145.10088	3.2
147.04413	100.0
147.11694	2.6
149.02292	2.6
149.13303	4.8
151.11188	6.9
155.10674	2.9
159.11642	2.1
165.05475	13.7
169.12251	3.4
173.13260	1.6
177.12819	1.1
181.12291	1.3
187.14891	1.9
191.09404	1.0
191.17999	1.6
193.04967	3.7
195.13791	1.9
215.17981	18.9
233.18996	16.3
251.20071	48.7
268.70029	1.0
269.21173	3.3
282.51886	1.0
284.29523	2.5
320.10522	1.2
433.59866	1.0
450.32208	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	450.1972
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	2.3
57.03439	24.0
59.04989	5.3
60.04517	3.4
61.02921	3.5
65.63060	1.6
69.03432	71.1
70.68343	2.9
70.68660	1.6
73.02888	2.6
79.05478	2.1
81.03409	4.0
85.02909	74.4
87.04472	52.1
91.03950	2.7
91.05491	4.7
93.07043	3.2
97.02898	72.1
99.04466	2.5
102.17394	1.7
103.03915	1.6
109.02870	4.3
115.03932	85.9
117.07008	5.1
118.95869	1.5
121.05672	2.6
121.06508	40.7
127.03945	9.7
131.08578	1.7
133.04971	100.0
135.08017	3.2
145.04959	18.4
145.06471	32.5
150.07635	14.1
155.81577	1.5
157.06476	1.7
159.08003	5.2
163.06044	5.5
163.07518	18.8
165.05461	2.7
169.04997	1.6
171.08092	1.5
175.07555	13.6
176.91716	1.4
181.08527	2.9
184.07329	1.8
187.07544	12.4
188.14732	1.3
199.07611	2.2
205.08618	13.9
217.08636	17.4
229.08571	6.1
235.09634	9.6
237.46582	1.7
241.07048	3.0
247.09665	6.3
252.23552	1.5
259.08093	6.6
265.10706	6.8
277.09085	3.3
287.05487	2.2
288.05756	6.9
295.10150	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	449.3051
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.8
55.05515	10.6
57.07081	1.8
62.39291	1.1
65.03934	1.6
67.05506	18.9
69.07075	7.9
79.05496	16.7
81.03411	1.1
81.07063	27.5
83.04986	2.1
83.08608	3.8
85.06516	1.6
91.05485	19.9
93.07052	21.3
95.04942	5.3
95.08611	30.6
97.06538	3.1
97.10167	2.2
105.07039	37.7
107.08595	30.6
109.06532	2.9
109.10159	16.1
111.08047	1.8
115.05429	2.1
115.76865	1.0
117.07026	9.7
119.08584	52.3
121.06463	1.6
121.10139	16.3
123.08073	2.9
123.11678	2.6
125.09636	2.0
128.06229	3.8
129.07004	9.5
130.07883	1.2
131.08572	25.1
133.10141	19.3
135.08044	1.5
135.11696	7.2
139.11086	1.4
141.07033	3.9
142.07782	5.9
143.08574	21.9
144.09355	2.8
145.10132	40.7
147.11681	14.4
149.13275	5.2
151.07561	2.8
155.08556	9.3
156.09328	7.4
157.10156	25.6
157.11458	1.5
158.10873	2.6
159.11700	28.0
161.09578	2.4
161.13292	12.6
163.07498	3.4
163.14867	2.8
166.07753	1.5
167.08580	4.5
168.09349	3.6
168.94902	1.3
169.10114	15.2
170.10948	2.7
171.11697	16.9
173.09595	1.4
173.13263	18.0
175.11214	1.6
175.14865	8.9
177.12817	1.6
179.08659	3.1
181.10109	9.4
182.10968	5.3
183.11671	16.1
184.12462	1.7
185.09656	1.6
185.13268	19.4
187.11220	2.1
187.14832	18.6
189.16373	5.8
191.14293	1.8
193.10094	4.1
194.10815	1.7
195.11630	9.3
196.12511	3.3
197.13251	12.6
199.14844	22.4
201.09402	1.2
201.12762	5.0
201.16397	11.1
203.14259	3.1
205.10017	1.6
205.15955	1.5
206.10893	2.7
207.11707	7.6
209.13274	8.8
210.13934	1.4
211.14777	10.4
213.16411	10.4
215.14339	5.0
215.18037	4.0
217.12326	1.3
217.15781	7.4
219.11739	1.9
219.13748	1.8
219.17479	1.7
220.12436	2.1
221.13223	7.6
223.14830	11.1
225.16434	7.8
227.17912	5.1
229.15883	8.0
231.13794	3.0
231.17531	2.9
233.13283	4.6
233.15407	1.9
234.14209	1.7
235.14804	6.6
236.15475	1.7
237.16370	8.7
239.17972	6.9
241.15901	2.7
243.17419	1.4
245.13208	2.8
245.15544	2.6
245.19002	1.6
247.14854	5.2
248.15697	1.6
249.16431	5.3
250.17029	1.3
251.17839	5.8
253.19522	2.5
255.17583	2.1
257.15344	2.3
259.14728	1.6
259.17130	1.4
261.16318	4.1
263.18076	6.7
265.19547	4.2
267.17401	1.7
269.15439	1.6
271.17065	1.3
273.16306	2.8
275.17969	4.8
276.18884	1.7
277.19601	4.9
279.21036	5.7
281.22690	2.0
283.17023	1.8
287.17947	2.1
289.19458	3.1
291.21268	2.7
295.16885	2.4
297.03967	1.9
297.18622	2.0
297.22107	2.8
301.19455	2.3
303.20999	3.4
305.22534	1.8
307.17145	1.5
307.24329	2.1
315.21060	2.9
317.22745	2.5
321.18347	1.5
323.20093	3.3
325.21640	1.5
329.22745	4.0
331.24255	2.4
343.24261	2.5
345.25708	1.8
349.21469	1.4
351.23218	2.9
367.22766	1.6
373.28833	1.9
375.23148	1.6
375.30664	1.4
385.28915	18.3
386.92416	1.5
387.30530	3.6
389.93433	1.3
391.26587	3.4
400.19833	1.3
403.30011	45.5
405.31625	5.7
419.29437	2.1
421.31015	4.1
431.29526	40.1
449.30536	100.0
450.30945	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.3051
Annotation	Unknow
Peak:m/z	Relative Intensity
51.20509	0.9
51.80103	0.9
53.03949	1.5
55.01847	0.9
55.05510	8.2
57.03422	1.3
57.07071	1.5
59.15302	0.8
60.37921	0.8
65.03938	1.7
67.05506	13.7
69.03440	1.3
69.07068	10.6
69.66875	0.9
77.03915	1.4
79.05494	15.1
81.07056	35.1
83.04981	1.1
83.08613	6.7
91.05489	18.9
93.06476	2.0
93.07047	29.4
93.21996	0.9
94.04465	1.0
95.04969	3.6
95.08613	32.5
96.85435	0.9
97.06544	1.8
97.10170	1.7
105.07035	44.5
107.08598	34.0
109.06519	3.9
109.10158	17.2
111.08100	6.3
115.05447	2.6
117.07035	6.8
119.08586	69.7
121.06549	1.3
121.10149	22.7
123.08091	2.5
123.11719	8.8
125.06046	1.2
125.09634	2.0
128.06221	3.3
129.07001	6.2
130.07794	2.3
131.08565	24.0
133.10139	33.0
135.08060	1.4
135.11685	10.6
137.09642	2.6
137.13315	1.1
139.03847	2.5
139.11194	1.3
139.34660	0.9
141.07025	2.7
142.07808	6.7
143.08569	18.5
144.09370	2.5
145.10126	44.5
146.10759	1.0
147.08080	1.9
147.11691	25.0
149.09639	2.3
149.13266	8.6
151.11198	2.9
153.07019	1.2
154.07826	1.4
155.08566	8.5
156.09357	7.4
157.09189	0.7
157.10139	27.8
158.10892	3.4
159.11700	33.5
161.09631	1.7
161.13257	30.9
163.03911	10.5
163.07533	7.1
163.11221	1.8
163.14796	6.9
165.06995	1.1
165.12744	2.8
167.08551	4.3
168.09352	3.1
169.10135	20.2
170.10916	4.1
171.11705	22.3
172.12459	1.8
173.09605	1.3
173.13280	21.1
175.11224	3.4
175.14815	17.8
177.09151	1.1
177.12737	1.5
177.16406	4.3
179.08679	1.9
179.14304	12.5
180.09334	1.2
181.10127	6.2
182.10976	4.7
183.11691	14.2
184.12474	3.2
185.13243	14.6
187.07582	1.1
187.11211	1.7
187.14822	17.0
189.09267	1.4
189.12746	2.0
189.16405	4.6
191.14258	1.7
193.10150	4.3
193.12085	1.0
193.15901	16.7
194.10966	1.6
195.11719	9.3
196.12469	2.7
197.13275	15.8
199.07582	1.0
199.11308	1.3
199.14819	23.5
201.16379	16.9
201.18060	1.6
203.14351	5.7
203.17984	3.4
205.10223	1.2
205.12180	1.7
205.15913	4.6
207.11694	4.4
208.12396	1.3
209.13234	7.3
211.14838	13.5
213.09143	1.6
213.12704	1.3
213.16341	8.7
215.10616	1.3
215.14330	3.8
215.18045	1.7
217.12312	4.0
217.15871	7.9
219.11745	2.2
219.13858	3.1
220.12508	1.1
221.13283	3.6
222.14040	1.6
223.14804	7.6
225.16408	7.9
227.14310	2.1
227.17981	4.1
229.15894	4.2
231.13850	2.6
231.17485	3.1
233.13237	3.1
234.14034	2.4
235.14847	5.5
236.15527	1.2
237.16394	7.6
239.17952	3.9
241.12361	1.1
241.19559	1.4
243.13838	2.3
243.17532	1.3
245.13219	1.5
245.15414	4.4
245.19054	2.0
247.14890	2.4
249.16388	8.2
251.18007	8.3
253.19569	2.6
255.14139	1.1
257.15421	8.1
257.18967	1.7
261.16364	1.4
263.17987	3.6
265.19562	3.1
267.17328	1.2
269.15652	1.3
269.19037	3.2
271.17068	2.5
271.20468	1.2
275.17987	3.2
277.19501	3.1
279.21130	1.7
281.15674	1.8
281.19034	1.4
283.16946	3.4
287.17844	1.1
289.19598	2.7
291.21204	1.8
295.16864	5.3
297.03946	1.5
297.18719	5.7
297.21902	1.8
301.19397	1.3
303.21127	2.6
305.22864	1.3
309.18655	1.9
309.22067	1.4
311.20142	3.0
315.21127	1.7
317.22687	2.0
319.24127	1.4
321.18658	1.2
328.21530	1.0
329.22699	1.2
335.20059	1.3
337.22418	1.0
337.26651	1.0
343.24142	1.9
345.25845	4.1
347.20224	1.2
347.27429	1.6
375.22928	1.9
375.26938	2.2
375.30838	1.1
385.28918	7.5
387.30478	2.8
389.24734	1.2
390.25507	1.4
391.26279	11.1
403.30103	28.7
404.30252	1.3
405.31647	9.5
419.29428	5.4
421.27399	3.9
421.31870	2.1
431.29477	15.8
449.30527	100.0
450.30786	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.0871
Annotation	XL147
Peak:m/z	Relative Intensity
50.13418	0.2
53.07704	0.3
54.89720	0.2
63.35076	0.2
67.05477	0.3
71.46500	0.2
75.09637	0.2
77.72386	0.2
91.05446	0.5
95.04948	0.3
98.21535	0.4
105.03341	0.3
115.05456	0.3
119.04955	1.5
123.04429	8.3
139.05476	0.3
141.06984	0.4
147.04410	2.3
147.67871	0.2
167.05016	0.4
168.96692	0.3
169.06453	0.2
185.05937	0.5
195.04416	1.1
197.05981	0.5
213.05493	7.8
223.03825	1.5
226.12524	0.3
227.03426	0.7
227.06905	0.4
241.04974	5.8
242.05603	0.6
253.04829	0.5
255.06520	0.6
269.04456	16.6
270.05130	1.2
271.06018	0.3
274.12772	0.2
281.04437	0.6
285.03961	2.3
293.04404	0.6
297.03943	100.0
298.04648	3.9
309.03876	1.0
311.05502	3.6
327.04980	5.8
339.04865	1.3
391.41943	0.3
431.07495	0.3
449.08698	61.9
450.08875	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1082
Annotation	Quercetin-3-Rhamnoside
Peak:m/z	Relative Intensity
53.03936	0.5
53.26969	0.3
55.01853	0.5
55.05502	0.7
55.25040	0.3
57.03189	0.4
57.03439	4.6
62.06120	0.3
62.86900	0.4
65.03928	0.5
66.08556	0.4
67.05472	0.5
68.99792	0.6
69.03416	1.1
69.97591	1.7
70.06571	0.5
71.04994	27.3
73.02925	0.6
75.04460	0.8
81.03418	0.8
81.07049	0.4
83.04972	0.9
85.02906	28.1
87.04472	0.7
93.03382	0.6
95.04970	0.6
97.02906	0.4
98.21457	0.5
109.02834	0.8
111.00806	1.0
111.04457	0.6
117.06979	0.5
119.08553	0.7
121.02852	1.4
121.70805	0.4
123.04461	0.6
127.03889	0.5
128.06245	0.5
129.04547	0.4
129.05484	7.1
129.06944	0.6
137.02338	2.7
137.14128	0.3
145.06447	0.4
146.63344	0.4
147.06511	1.0
149.02328	0.5
153.01843	4.1
155.08499	1.4
163.03911	1.0
165.01808	2.4
165.07013	0.6
166.02545	0.4
173.06001	1.1
183.02879	0.7
183.08043	1.3
186.06714	1.1
187.04013	0.8
201.05431	2.1
201.09119	1.0
211.07544	2.2
213.05301	0.5
229.05060	4.2
229.08575	9.2
239.03307	0.4
239.07207	0.4
243.15903	0.5
247.05945	0.4
247.09740	0.7
257.04550	2.4
257.08063	6.3
274.04712	0.6
275.08997	0.5
285.04034	1.3
287.05511	10.2
287.10406	0.4
303.04993	100.0
304.05301	1.8
345.05811	0.5
415.98727	0.4
449.14178	1.7
449.29974	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.9053
Annotation	Unknow
Peak:m/z	Relative Intensity
60.04526	8.4
69.03422	0.5
69.44003	0.4
70.06586	0.7
70.19305	0.7
70.19650	1.3
71.11527	0.4
71.90192	0.4
84.04494	1.6
84.08133	0.6
85.02917	0.8
86.09709	1.3
88.03996	1.8
90.66860	0.4
94.06564	2.1
94.93029	5.5
97.02896	0.6
106.05036	11.1
107.05385	0.9
110.06023	0.9
126.05511	1.2
127.03899	1.2
130.83339	0.5
132.02095	0.9
133.06123	0.6
138.05505	45.9
139.05850	3.1
145.04863	0.5
176.01093	1.8
178.00940	0.5
198.98520	1.1
224.95633	21.8
231.03391	0.6
246.14575	0.6
246.93845	2.4
262.91220	100.0
263.91666	1.3
268.98334	0.9
287.05460	2.5
318.87869	1.5
347.88800	1.2
416.87897	2.9
448.84680	0.8
448.90530	12.3
449.02454	7.5
449.14557	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.269
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05498	0.4
56.96569	0.2
61.02906	0.2
65.03937	0.4
67.05508	1.0
68.05814	0.2
68.11536	0.1
69.03433	0.2
69.07052	0.3
70.62798	0.4
71.95353	0.2
72.08167	0.2
73.02939	0.2
79.05486	0.6
81.03436	0.2
81.07050	0.6
83.04993	0.2
83.08571	0.1
85.02898	0.4
91.05479	0.5
92.05006	1.7
92.05826	0.1
93.05798	0.3
93.07044	0.6
94.06570	5.3
95.04968	0.3
95.08614	0.5
95.47573	0.1
96.04502	0.5
97.02894	0.4
98.20734	0.2
98.97618	0.2
105.07037	0.6
107.04941	0.2
107.08581	1.0
109.10139	0.2
110.06044	3.3
110.06786	0.2
111.08122	0.1
117.07030	0.2
119.08569	0.3
121.06512	0.6
121.10186	0.3
131.08588	0.2
133.10124	0.2
135.11700	1.0
138.05502	100.0
139.05835	0.7
145.10133	0.5
149.02390	0.2
154.04988	0.3
157.10229	0.3
159.08113	0.1
163.11223	0.6
167.08682	0.1
176.52554	0.1
188.14294	0.1
189.21896	0.2
193.04982	0.3
193.12294	0.2
356.23029	0.3
387.41266	0.1
430.26556	0.2
448.26910	42.9
449.27170	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.1813
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	4.6
59.04999	2.0
69.03432	11.2
71.43755	0.8
73.02925	0.7
74.26297	0.3
78.03437	1.7
80.02130	0.3
83.05027	0.4
85.02908	10.0
87.04467	8.0
96.04492	100.0
97.02889	7.0
101.06021	0.4
109.91782	0.4
115.03937	7.3
127.03909	1.1
131.04961	0.7
133.04974	6.4
135.01453	0.4
136.07552	2.5
145.04932	1.3
154.08629	74.7
194.43089	0.4
221.10233	0.6
316.13919	11.9
325.71384	0.4
448.18188	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	448.1942
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05028	1.2
60.05630	1.3
61.06488	0.5
69.03418	0.9
70.06564	0.6
72.08138	0.5
79.05490	0.8
83.06106	1.7
85.02893	2.4
91.05467	0.7
95.09631	0.5
105.03392	1.9
105.05796	0.6
106.06554	8.8
111.05574	5.5
113.07133	1.1
118.06553	3.1
120.03636	0.9
120.04469	13.3
123.05495	1.1
123.49372	0.6
124.07602	0.6
126.06647	8.4
130.06535	1.4
132.04462	18.3
132.08101	1.2
134.06020	8.7
135.04413	1.0
137.04700	1.9
137.05968	2.6
137.09621	1.2
140.08240	0.8
146.02313	0.8
146.05988	0.9
147.04431	1.1
148.07594	1.0
149.07094	0.6
151.06158	8.2
154.08644	7.4
159.05605	0.7
163.03893	4.8
164.04195	0.6
165.09125	7.4
168.08847	3.0
202.09760	12.7
216.11334	3.5
225.25046	0.5
230.09271	8.7
231.12595	1.0
232.10864	4.3
233.13942	0.8
238.08588	1.1
242.09254	3.6
250.10855	0.9
252.06557	1.3
256.05991	2.6
257.10388	4.3
259.11917	77.4
268.05997	0.6
268.11819	1.4
270.03970	0.8
275.16318	0.6
277.12949	2.1
280.06064	8.8
281.06766	1.7
282.07690	1.2
284.05627	1.8
284.11420	6.6
286.07254	0.8
295.08563	0.7
298.07108	19.5
301.14047	7.1
302.12476	30.4
306.07706	3.0
310.07047	5.2
312.08838	1.3
319.15106	1.7
320.09097	3.1
324.08719	2.4
328.08160	10.4
334.07089	1.6
338.06714	0.9
338.10257	4.4
340.08011	0.8
348.36780	0.7
352.08157	6.4
362.18036	0.8
366.09500	0.8
376.08063	1.1
382.09140	4.3
394.09198	4.0
406.17215	13.5
412.10272	8.2
430.11368	19.7
430.17380	1.0
431.16605	1.1
448.19360	100.0
449.19717	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	448.1241
Annotation	Unknow
Peak:m/z	Relative Intensity
51.49265	0.5
52.44822	0.5
55.01869	0.7
56.05029	1.0
60.05629	0.9
64.38780	0.5
67.05488	0.6
67.83161	0.5
69.03408	1.0
70.06575	0.6
71.52168	0.7
81.03390	0.6
83.06091	0.9
84.04493	0.6
85.02927	3.2
85.52707	0.5
86.09689	0.8
89.03895	0.7
91.05457	1.4
92.05014	0.7
97.02863	1.5
102.05530	0.5
105.03391	2.4
105.05781	0.9
106.06559	9.9
111.05570	5.3
111.93643	0.6
113.07138	0.9
113.65201	0.5
118.06565	3.3
120.04468	12.1
122.02721	0.6
123.05522	1.3
126.06633	8.5
127.04941	0.6
130.06516	1.3
132.03462	0.9
132.04460	18.1
132.08075	0.9
133.05148	0.7
134.06018	8.9
135.04414	1.1
137.02322	0.7
137.04684	2.7
137.05972	2.2
137.09607	1.7
138.05518	0.7
140.08194	0.6
145.02818	0.8
146.02347	0.6
146.05977	0.7
147.04417	1.2
148.07513	1.4
151.06123	6.0
154.08614	6.1
160.07617	0.7
162.06564	0.8
163.03909	6.2
164.04311	0.7
165.09122	11.5
168.08820	2.1
185.07031	0.5
192.74332	0.5
198.05499	0.8
202.09761	12.3
216.06534	0.6
216.11375	3.3
227.09227	0.6
229.56158	0.5
230.09216	7.8
231.12399	1.0
232.10866	4.0
238.08601	1.5
242.09288	3.2
250.10815	1.0
252.06558	2.1
253.07347	1.2
254.08124	1.4
255.08742	0.7
256.05984	5.1
257.10361	4.7
259.11908	73.4
260.12085	0.6
261.07724	0.5
267.05295	1.2
268.11914	0.9
270.03992	1.6
277.12949	1.9
278.08051	1.5
280.06036	18.0
281.06827	3.1
282.04236	0.9
282.07565	2.5
284.05521	2.4
284.08313	1.1
284.11337	6.9
285.06555	0.6
286.07065	1.4
287.05505	24.5
292.06219	0.9
294.07535	2.1
296.09067	1.1
298.07108	32.3
299.07883	0.9
301.14047	6.2
302.12485	28.8
306.07556	4.1
310.07117	8.8
312.08664	1.5
319.15152	1.1
320.05792	0.9
320.09119	3.8
324.08682	3.4
328.08173	21.9
328.12119	1.2
332.08978	0.7
334.06985	2.0
336.08728	1.3
338.06601	1.0
338.10239	7.6
340.08054	1.1
348.08627	0.9
350.10181	1.1
352.08182	13.9
358.09201	0.7
362.18182	0.6
364.08163	2.1
366.09647	2.4
376.08105	1.7
382.09238	6.5
394.09189	6.8
406.17188	13.2
412.04996	1.0
412.10303	15.0
426.01782	0.7
430.11356	28.6
430.17532	1.3
431.11667	0.9
431.16791	0.9
448.12723	7.9
448.19348	100.0
449.19907	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.3832
Annotation	13'-OH-alpha-tocopherol
Peak:m/z	Relative Intensity
55.05511	45.9
57.07075	73.3
57.82961	3.7
67.05477	6.0
69.07069	100.0
70.96642	3.5
71.08645	55.4
77.29591	4.1
81.07053	13.5
83.08144	6.1
83.08615	68.5
85.10179	31.5
91.05453	4.0
93.07068	4.6
95.08604	8.2
97.10174	60.4
107.08585	9.5
109.10142	4.8
111.11720	42.8
120.64560	4.1
125.13280	16.4
135.08057	11.1
137.09624	6.4
139.07556	24.6
145.56206	3.8
149.02336	28.6
149.09601	8.2
151.07561	14.0
153.09084	16.3
153.16454	4.1
163.11163	4.9
163.14824	3.9
165.09120	69.5
166.97430	4.1
167.06992	5.4
169.08595	11.9
179.10576	5.0
181.08580	26.0
205.12253	6.6
244.58466	4.2
356.18796	3.8
429.37173	19.4
447.38376	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	447.2744
Annotation	Berkeleyone A
Peak:m/z	Relative Intensity
53.03934	3.9
54.46633	1.0
55.01870	5.8
55.05275	1.6
55.05514	21.3
57.03438	7.6
57.07061	1.0
59.05008	1.4
65.03939	1.7
67.05506	38.0
69.03417	3.4
69.06785	0.8
69.07072	9.3
69.85314	4.1
71.04974	3.7
71.66814	0.9
74.83685	0.9
77.03893	0.9
77.97463	0.9
79.05497	32.6
81.03414	12.0
81.06594	1.3
81.07058	25.7
83.04977	5.1
83.08618	12.7
83.71844	1.0
85.02903	2.0
85.06542	2.5
89.59082	1.0
91.05483	26.9
93.06483	1.7
93.07044	27.0
95.04376	1.5
95.04968	22.1
95.08601	14.3
97.02866	1.6
97.06535	3.7
97.10176	15.8
99.08094	1.5
103.05470	2.3
105.07034	25.9
107.04971	14.8
107.08599	15.6
109.06512	7.4
109.10143	10.2
111.08073	2.0
115.05430	3.0
117.06231	1.5
117.07014	16.0
118.17628	0.8
118.58377	0.9
119.04948	2.1
119.08578	15.4
121.06506	19.2
121.10129	8.2
123.04427	1.1
123.08067	3.5
125.09643	9.8
128.06221	3.4
129.05464	1.3
129.07010	13.4
130.07738	1.0
131.04927	6.2
131.08569	16.0
133.06497	7.5
133.10103	6.6
135.04437	1.2
135.08043	5.1
135.11708	9.6
137.09633	2.3
141.06990	6.8
142.07761	1.8
143.08562	9.7
145.06480	17.9
145.10124	13.3
147.08054	8.1
147.11688	4.3
149.02359	1.3
149.09624	5.7
153.06966	2.0
153.09064	1.7
155.08583	6.8
157.06482	2.2
157.10106	7.2
158.07239	1.0
159.08054	5.9
159.11691	5.4
161.09593	3.7
163.11198	10.5
165.07039	1.5
165.12799	1.0
167.08553	3.8
168.09378	1.0
169.06409	1.2
169.10144	6.5
171.08040	2.1
171.11679	3.6
173.09610	3.5
173.11816	2.1
173.13287	3.9
175.11194	2.2
175.14873	2.5
179.08551	1.5
181.10098	2.3
183.08073	1.9
183.11690	5.7
185.09618	1.9
185.13240	9.1
187.11205	4.5
189.09247	2.1
189.11240	5.7
191.14333	1.4
193.12259	3.1
195.11743	1.8
197.13245	2.3
199.11235	1.7
201.12733	4.5
203.10706	1.7
203.14328	6.9
205.10307	1.2
205.12244	3.9
207.11641	1.7
209.13242	2.1
211.11272	2.2
213.12669	1.4
219.13861	2.5
223.13275	1.8
225.12741	2.6
227.12721	3.0
231.13835	2.5
237.14827	1.6
239.14282	2.8
241.15820	1.6
243.13995	1.9
244.36201	1.1
245.15485	1.8
249.14816	1.3
251.84674	1.2
257.15329	4.0
259.16827	1.2
261.14758	2.2
267.15927	2.9
275.16473	1.8
283.16980	1.1
287.16422	1.2
293.17825	1.0
309.22040	1.8
319.20599	1.4
327.23306	3.7
337.21597	13.5
349.20224	1.3
355.22647	30.3
373.23663	11.9
391.24667	2.5
393.24295	1.7
401.28516	1.4
403.24777	1.3
411.25281	3.3
429.26395	37.4
447.27432	100.0
448.27832	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2226
Annotation	Unknow
Peak:m/z	Relative Intensity
51.38950	4.0
53.03955	5.8
55.01850	6.5
55.05497	18.8
56.96558	6.6
57.03431	24.2
59.04985	5.3
61.02928	32.5
65.79240	4.5
67.05505	33.0
69.03442	34.7
69.07058	13.1
70.03776	5.0
70.06580	12.0
71.04969	6.9
71.52922	6.8
72.06224	4.3
72.08120	6.7
73.02927	33.7
74.03231	5.9
79.05503	31.7
81.03418	57.8
81.07051	28.8
83.04974	29.3
83.08603	15.0
85.02905	68.8
85.06524	7.1
86.03212	7.9
86.09711	85.1
87.05566	6.2
91.03938	18.1
91.05475	33.5
93.07046	25.6
95.04973	38.1
95.08599	13.6
97.02905	42.8
97.06503	15.2
97.10146	5.5
98.97550	7.5
103.41483	5.0
105.03378	12.8
105.07047	25.3
106.03701	9.8
107.04951	8.9
107.08567	15.2
109.02896	5.2
109.06503	13.8
109.10133	7.7
111.04453	22.5
111.08087	11.0
115.03928	20.6
119.08613	22.9
121.06503	5.4
121.10101	12.6
123.04386	10.6
125.09602	6.6
127.03908	17.7
129.05486	11.6
129.07027	11.4
130.06528	29.4
131.08591	11.8
132.04439	12.7
132.08119	5.7
133.06100	9.3
133.10104	12.8
135.04427	5.3
135.08017	7.7
135.11664	6.1
139.03886	15.7
145.04959	15.7
147.04413	7.6
147.07997	5.6
147.11674	15.6
149.09578	9.6
151.11165	10.3
157.07623	34.6
157.10133	8.3
158.06010	26.1
159.09125	10.8
163.03935	16.1
175.08656	21.2
175.11150	14.9
180.39752	4.6
181.15851	6.4
182.08978	8.2
185.07088	6.4
193.12251	43.5
199.04013	6.2
211.13280	36.1
235.94220	4.7
267.15970	12.5
285.16946	100.0
288.17065	11.7
299.13919	22.7
300.82080	4.4
310.60675	5.1
316.16620	53.6
334.17661	10.5
419.17993	7.6
447.17661	6.4
447.25452	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	446.2539
Annotation	Unknow
Peak:m/z	Relative Intensity
50.60863	0.1
51.60573	0.1
53.03943	0.2
55.05488	0.3
56.96543	0.3
61.02924	0.2
65.03932	0.3
67.05495	0.5
70.02585	0.4
71.05001	0.2
77.03893	0.1
79.05494	0.2
79.19408	0.1
81.07043	0.3
83.04956	0.3
84.04501	0.1
85.02901	0.4
91.05476	0.4
92.05002	1.5
93.05808	0.2
93.07035	0.3
94.06568	4.2
95.04955	0.3
95.08601	0.4
96.04482	0.5
97.02886	0.3
97.06501	0.2
98.21436	0.1
98.97572	0.2
103.05374	0.1
105.07016	0.6
106.07346	0.1
107.08581	0.5
109.10153	0.3
110.06042	3.0
119.08557	0.4
121.06506	0.4
121.10106	0.2
130.05002	0.1
131.08601	0.2
133.10158	0.4
134.02596	0.1
136.06233	0.1
138.05498	100.0
139.05832	0.6
147.11725	0.2
157.10150	0.3
161.13217	0.2
163.03937	0.2
163.11140	0.2
173.13136	0.1
175.11102	0.2
197.13345	0.1
199.14871	0.2
267.09103	0.1
281.19012	0.2
285.07559	0.2
446.25363	39.0
447.25754	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	446.2541
Annotation	Unknow
Peak:m/z	Relative Intensity
51.61013	0.2
53.03916	0.3
54.90878	0.2
55.05507	0.5
56.96570	0.4
57.78982	0.2
59.86201	0.2
61.02915	0.4
65.03951	0.2
67.05508	1.0
69.03421	0.3
69.07053	0.3
70.06590	0.4
71.04996	0.3
71.53075	0.3
71.84811	0.2
79.05491	0.5
81.03417	0.5
81.07053	0.5
83.04987	0.3
84.04512	0.3
85.02890	0.3
91.05482	0.7
92.05002	1.5
93.05775	0.3
93.07049	0.7
94.06568	4.1
95.04960	0.3
95.08620	0.5
96.04491	0.6
97.02879	0.5
97.06511	0.2
98.97604	0.2
105.07017	0.8
107.04958	0.2
107.08613	0.6
109.06544	0.2
109.10110	0.2
110.06045	3.1
119.08570	0.5
121.06484	0.4
121.10149	0.5
123.04377	0.3
123.08097	0.3
131.00189	0.2
131.08595	0.3
133.06480	0.2
133.10101	0.2
135.04459	0.2
135.11687	0.3
136.06213	0.3
138.05504	100.0
139.03893	0.3
139.05835	0.3
145.10088	0.4
147.07933	0.2
154.04941	0.2
157.10124	0.3
159.08049	0.2
161.01138	0.2
161.13252	0.3
163.03905	0.5
163.11150	0.2
173.13214	0.2
190.81822	0.2
193.12212	0.2
199.14859	0.3
232.97986	0.2
285.07471	0.3
401.12939	0.3
446.25381	38.9
447.25726	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	446.1659
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	6.2
55.01873	7.9
55.05510	5.6
56.96561	12.2
57.03437	11.8
61.02908	6.9
62.91306	4.6
67.05515	6.5
69.03418	21.3
69.07054	4.6
70.06593	13.0
71.52101	6.7
72.08172	5.5
73.02906	8.8
79.05504	6.9
81.03416	26.0
81.07086	7.6
85.02910	62.7
86.09712	11.1
87.00850	25.2
89.03896	8.6
91.03986	4.1
91.05460	11.5
93.07061	8.6
95.04990	10.5
95.08608	8.3
97.02911	53.4
97.06544	13.1
98.97574	11.5
99.04456	12.9
105.01897	33.4
105.07014	8.8
107.05002	4.3
107.08604	5.6
109.02917	23.2
109.06517	5.4
117.07018	5.4
121.02863	22.3
121.06507	11.6
124.03986	8.6
127.03928	62.1
129.07030	5.8
133.10155	5.4
139.03946	7.5
143.00174	4.7
145.04938	55.9
145.10162	11.8
153.05475	41.5
159.02904	16.2
161.05994	13.6
163.03870	25.4
163.07552	100.0
167.08710	4.7
179.03462	11.3
189.09160	10.2
191.03459	4.7
205.86107	4.5
209.01283	6.1
215.07187	5.8
223.99803	4.3
227.02251	13.4
228.13132	4.7
231.05054	13.0
252.09451	5.4
259.09668	12.1
260.10049	5.2
330.20682	6.6
333.46408	4.9
366.09628	5.1
370.10840	4.8
377.05548	7.7
382.20169	5.9
422.27838	5.3
428.24927	7.3
439.05441	4.8
446.15979	8.8
446.21402	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	445.3677
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39111	4.1
55.01871	5.6
55.05510	41.8
57.07078	44.9
58.56592	3.3
67.05499	18.8
69.07075	75.3
69.25195	32.5
71.08643	31.9
79.05485	15.0
81.07056	51.1
83.08620	57.3
85.10193	16.9
91.05452	10.2
93.07049	33.6
95.08619	49.8
97.06532	8.1
97.10173	38.0
105.06995	4.2
107.08607	23.0
109.06547	7.3
109.10143	21.6
111.08099	19.0
111.11725	14.5
119.08573	4.4
121.06477	6.7
121.10154	14.7
123.08054	10.6
123.11729	12.4
124.05237	5.9
129.77046	4.0
135.08075	4.8
135.11684	13.7
137.05991	15.5
137.09634	5.8
137.13229	6.4
139.07555	100.0
149.09645	9.8
149.13248	16.7
151.07541	11.9
163.11179	4.0
163.14815	15.6
165.05496	15.3
165.09145	26.0
171.11690	4.8
173.13211	3.9
175.11237	4.8
181.08611	4.8
193.08617	14.5
217.12383	5.8
231.13860	5.2
253.63136	4.1
289.28967	13.1
307.29871	20.7
417.37250	6.4
427.35602	8.3
445.36981	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	445.3676
Annotation	Unknow
Peak:m/z	Relative Intensity
52.14412	2.1
53.82137	2.1
53.82437	2.2
55.05513	16.7
55.77862	2.0
57.07080	10.4
61.38937	1.9
67.05502	7.3
69.07072	46.7
70.92334	1.8
71.04964	2.7
71.08617	5.4
71.53583	2.0
75.21018	1.8
80.21184	2.0
81.07056	13.5
83.08620	20.9
85.10177	2.8
91.05484	4.4
93.07039	3.9
95.08082	2.0
95.08608	15.5
97.10163	10.4
97.55797	1.9
105.07005	2.2
107.08628	6.2
109.10149	8.0
111.11704	6.8
119.08597	6.0
121.10143	3.8
123.08090	2.4
123.11711	4.3
131.08580	2.4
134.71025	2.1
135.08043	3.8
135.11725	3.4
137.09612	8.8
137.13237	2.4
139.07536	3.5
149.09636	9.4
151.18703	2.1
163.11194	8.7
165.09123	100.0
177.09111	10.5
177.12796	2.8
179.10687	2.4
187.11084	2.7
189.09149	3.8
191.10663	8.2
203.10678	7.2
203.79547	2.0
205.12268	14.8
217.12309	2.1
219.13803	3.6
225.53862	2.0
231.13788	5.0
239.43748	1.8
245.15231	2.5
289.21649	2.4
345.27783	3.1
427.35809	25.7
445.20526	11.8
445.36646	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	445.3678
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	1.0
55.05511	8.3
57.07087	4.2
67.05513	4.6
69.07075	15.7
69.25751	5.6
71.08637	1.9
79.05500	1.5
81.07069	6.7
83.05017	0.9
83.08620	7.5
85.10189	1.0
91.05476	1.7
93.07054	2.1
94.76169	0.8
94.89070	0.7
95.08624	6.7
97.10187	4.0
98.20784	1.4
105.07019	1.1
107.08579	3.8
109.10158	5.3
111.11732	2.5
119.08599	3.1
121.10147	1.9
122.07303	0.8
123.11703	1.5
125.13300	0.9
131.08557	1.6
133.10161	1.5
135.08055	3.1
135.11676	1.6
137.09663	6.3
137.13271	1.2
139.07593	1.0
145.10144	1.8
147.11673	0.7
149.09601	8.8
157.10019	0.7
159.11729	0.9
162.06825	0.9
163.11185	9.2
165.09126	100.0
173.09613	1.3
173.13228	1.0
175.11191	3.1
177.09114	5.4
177.12785	1.1
179.10680	1.6
185.13214	1.2
187.11165	2.2
189.09166	1.9
189.12820	1.3
191.10728	5.3
199.11171	2.8
201.12753	1.6
203.10751	3.7
203.14386	1.3
205.12248	7.1
217.12253	1.0
219.13773	1.5
239.14311	1.0
373.14215	1.4
387.16055	1.8
401.17709	1.5
409.34808	0.9
415.15372	2.3
417.20749	1.4
427.35757	5.4
429.17010	2.3
430.17822	4.0
445.20099	35.5
445.29874	1.4
445.36862	10.7
446.20657	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.2183
Annotation	Unknow
Peak:m/z	Relative Intensity
57.71176	1.2
59.04986	1.6
61.59364	1.2
67.05497	3.9
69.03413	2.3
69.75584	1.2
70.03854	5.4
70.06608	1.7
71.04964	1.9
73.04750	1.2
78.87146	1.4
79.05485	2.2
81.03419	1.9
81.07053	4.8
83.08611	1.6
85.02901	3.7
91.03970	1.2
91.05469	3.2
93.20966	1.2
95.08615	3.7
96.00642	1.3
96.69728	1.2
97.02901	3.7
99.47398	1.6
100.11275	2.1
103.05493	1.3
105.07056	1.6
107.08572	2.7
111.07988	1.4
127.03894	1.5
132.08122	2.8
133.08867	5.4
133.10103	2.0
134.09630	4.7
145.04993	1.6
145.08791	1.5
146.09637	2.0
148.11215	17.8
159.07967	1.2
160.11218	27.1
162.12782	3.7
165.11490	3.8
178.12299	3.9
178.27762	1.3
184.41573	1.2
192.13832	33.7
197.05948	2.3
206.11777	18.8
209.11754	1.4
220.13324	32.4
248.12802	6.6
266.13885	100.0
445.20288	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	444.3321
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	13.6
55.05515	26.6
67.05499	2.4
69.03421	2.8
69.07079	4.6
70.07386	2.7
71.20305	0.8
73.02929	1.2
77.02923	0.9
79.05482	3.2
81.07057	5.3
83.04987	0.9
83.08622	15.8
97.10174	38.5
107.08590	5.4
116.56741	0.8
125.09637	100.0
133.09982	0.9
143.10684	54.2
147.89290	0.7
154.72018	0.9
165.09088	1.6
267.19574	11.0
285.20651	7.3
426.34967	1.3
427.30475	1.5
444.33365	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	443.352
Annotation	5alpha,8alpha-epidioxysterol
Peak:m/z	Relative Intensity
55.05498	8.7
57.03418	2.5
57.07071	6.9
64.89805	2.2
67.05505	20.1
68.11179	2.2
69.07067	17.0
79.05501	11.5
81.03423	2.6
81.07059	48.2
83.08615	11.4
87.04446	5.5
91.05487	12.1
93.07048	40.7
95.07998	4.8
95.08610	100.0
95.21522	2.2
95.45792	2.3
97.10171	6.1
100.72295	2.4
105.07034	31.6
107.08599	75.9
109.10155	51.4
111.08028	3.0
117.07045	3.4
119.08583	57.9
121.10153	68.1
123.11702	20.2
129.06972	2.5
131.08546	9.3
133.10132	37.3
135.11694	48.6
137.13287	6.8
143.08557	3.8
143.17587	2.8
145.10110	12.6
147.10547	2.5
147.11691	40.6
149.13278	28.4
153.09160	3.2
159.11682	11.7
161.13257	35.4
163.14838	54.6
165.09152	4.0
165.12758	2.6
165.16377	2.4
173.13268	9.6
175.14827	26.7
177.16389	21.8
187.14825	16.8
189.16393	73.3
191.17961	55.2
199.14830	3.9
201.16405	9.6
203.17950	36.3
205.19528	2.5
207.17465	3.9
213.16368	5.3
215.17889	9.4
217.19531	32.1
219.20886	3.8
227.18024	3.4
229.19527	7.7
231.21045	10.4
235.16920	14.1
241.19498	4.4
243.21118	12.3
249.18636	2.4
255.21065	4.5
257.22714	11.5
261.18427	8.4
263.19986	5.0
283.24222	11.0
289.21729	6.8
301.21722	3.0
301.25061	3.8
315.10852	3.5
315.23132	4.2
338.16571	2.5
379.33551	34.0
397.34656	89.8
407.33121	2.2
425.34152	55.9
443.33572	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	443.3521
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02145	1.6
55.05507	7.6
57.07076	3.2
60.83783	1.7
62.55511	1.9
65.18039	1.9
67.05501	21.0
69.03433	2.6
69.07062	13.4
69.25439	17.5
71.04999	2.0
79.05490	8.9
81.07054	26.8
83.08608	7.2
84.78809	1.9
87.04470	10.5
88.04836	3.4
91.05473	10.1
93.07050	24.5
95.08611	37.1
97.10169	6.3
99.05603	1.8
105.07024	18.9
105.90146	2.0
107.08597	44.8
109.10163	48.3
111.08160	2.4
113.84745	1.8
117.07030	4.6
119.08587	22.0
121.10146	36.3
123.11694	9.1
131.08577	7.3
133.10136	26.0
135.11679	17.7
137.13243	6.6
139.07545	3.6
142.59113	2.3
143.08563	2.8
145.10106	9.6
147.11688	18.0
149.13268	21.3
151.14815	4.0
153.09106	2.9
157.10144	2.7
159.11719	10.1
161.13264	10.5
163.14857	5.6
165.09190	5.2
167.10733	5.0
171.11670	2.6
173.13284	8.0
175.14876	6.4
177.16495	2.5
185.13333	2.5
187.14803	7.0
189.16405	8.9
191.17914	3.9
193.12274	3.0
199.14745	2.3
201.16371	12.7
203.17940	20.3
213.16328	2.9
215.17981	6.4
217.19489	5.7
221.15434	4.3
229.19543	3.2
235.16878	2.9
247.16908	3.7
255.21028	2.3
257.22638	3.2
317.24780	2.5
385.29486	3.5
425.28885	2.1
425.33884	10.7
443.19675	3.5
443.28275	4.6
443.34131	100.0
444.34210	2.9
451.64758	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.2977
Annotation	Unknow
Peak:m/z	Relative Intensity
57.02131	0.3
60.04508	0.5
60.05647	6.2
60.30555	0.4
69.03437	0.9
69.07066	7.0
70.06594	18.0
70.23454	0.8
70.23842	0.8
71.05002	0.6
72.04504	0.3
72.08154	2.7
83.05007	0.4
84.08159	0.4
85.02908	1.5
86.09705	90.7
91.05476	1.1
95.08629	0.5
97.02871	0.6
97.06511	0.6
97.07678	0.6
107.91325	0.3
112.08741	3.4
112.69391	0.4
114.10311	0.6
115.08689	2.7
116.07088	6.7
119.04948	0.8
121.10188	0.3
123.04470	0.5
128.10716	15.8
130.09735	2.4
133.09756	0.5
135.11693	0.4
137.09554	0.4
139.51857	0.3
145.04912	0.4
147.04433	1.1
155.11705	0.4
156.10213	1.1
156.11325	8.3
157.10832	0.7
158.09244	6.6
163.58252	0.4
175.03914	1.5
175.11909	16.3
177.05482	0.9
192.17549	0.3
207.06439	2.2
208.14578	0.4
210.18542	0.7
211.14433	0.4
226.15536	0.6
243.05237	0.5
253.16658	0.5
263.16467	0.5
269.18631	0.9
271.17657	6.8
275.23706	0.4
288.20404	0.9
311.05478	4.4
317.93427	0.3
337.07086	0.6
365.06378	0.4
377.06500	0.5
384.24863	0.3
389.06595	0.4
395.07443	0.4
407.07605	0.5
425.08646	0.6
425.28687	0.8
426.28171	0.5
443.16998	2.2
443.29788	100.0
444.30057	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.16
Annotation	Unknow
Peak:m/z	Relative Intensity
50.82678	0.6
51.14922	0.7
54.03460	3.2
55.04243	2.8
57.03432	0.8
61.02900	0.7
69.03413	1.5
70.06600	1.7
70.33765	1.5
70.34152	1.6
72.08141	3.0
73.02933	1.1
81.03391	0.8
81.04545	21.1
82.05325	7.7
85.02911	3.5
89.10799	0.9
94.39573	0.8
97.02885	0.8
98.97599	1.2
108.05582	1.6
122.07156	100.0
123.07937	92.2
125.11323	0.7
135.04417	2.2
144.04755	1.0
145.02881	1.4
146.06033	1.0
160.04277	2.8
163.03912	9.9
164.04219	0.7
165.07713	3.7
172.04201	1.7
187.84761	0.8
219.01765	0.9
273.74979	0.8
281.10678	58.0
359.16272	0.7
386.68948	0.7
411.06329	0.9
443.15988	92.3
444.16690	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	442.28
Annotation	Unknow
Peak:m/z	Relative Intensity
50.79550	1.2
53.03945	2.1
55.01865	1.7
55.05514	7.2
56.05035	5.3
67.05502	17.9
69.03414	3.3
69.07067	9.0
69.20213	4.3
69.20638	10.8
70.06583	1.9
71.04998	3.5
71.08627	3.5
72.14304	1.5
72.68427	1.5
75.01429	1.4
79.05482	7.9
81.03413	6.3
81.07069	12.6
83.04971	3.4
83.08618	1.7
84.04507	100.0
85.06536	2.5
91.05473	7.1
93.07044	15.7
95.04968	6.6
95.08602	9.5
97.10149	2.2
98.21474	3.1
102.05543	34.9
105.07036	4.1
107.08587	6.5
109.10146	9.7
117.07015	2.9
119.08580	3.6
121.06478	1.8
121.10126	6.4
130.05006	53.2
130.05971	3.3
131.08572	1.5
133.10106	3.6
135.11687	4.0
137.09610	3.7
139.11156	2.9
145.10117	2.3
147.11707	3.4
148.06058	87.6
149.13319	1.8
151.11243	3.2
159.11780	1.6
166.46138	1.5
182.15431	1.4
185.07794	1.6
277.21619	31.7
295.22693	48.3
375.93597	1.4
442.28125	22.2
442.34000	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	443.0855
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	0.3
55.01868	0.2
55.05503	0.3
56.96556	0.3
57.03422	0.3
61.02910	0.2
67.05509	0.7
69.03418	0.8
69.07053	0.5
69.79875	0.4
69.80290	0.3
71.05035	0.2
71.48637	0.1
72.08143	0.2
73.02907	0.3
73.07994	0.1
79.05488	0.6
81.03433	0.8
81.07059	0.8
83.04964	0.2
83.08605	0.2
84.04488	0.2
85.02909	1.3
87.00813	0.5
87.05593	0.2
89.03881	0.2
90.38534	0.1
91.05471	0.7
93.07040	0.7
95.08594	0.5
97.02892	1.2
97.06502	0.2
98.97578	0.2
99.04459	0.2
105.01851	0.3
105.07012	0.6
107.08604	0.4
109.02862	0.4
109.10148	0.3
110.97610	0.1
110.99964	0.3
113.16382	0.2
116.07083	0.2
117.03403	0.2
117.05766	4.0
118.05287	0.2
119.08543	0.7
121.02840	0.3
121.10125	0.4
123.04443	0.2
123.08051	0.2
125.01586	0.4
125.09660	0.1
126.01080	0.3
127.03911	1.0
129.01003	0.1
129.07077	0.2
131.06062	0.8
131.08540	0.2
132.06859	2.7
133.05157	0.2
133.10143	0.2
135.04422	0.3
135.11655	0.2
138.01035	0.4
139.00587	0.5
140.02628	0.2
144.05600	0.2
145.02820	0.3
145.04977	0.6
145.10121	0.3
145.61885	0.2
147.11673	0.2
150.01064	1.7
151.07552	0.3
152.02618	1.7
153.02158	12.7
159.02899	0.3
160.06328	1.7
163.03926	2.0
166.02834	0.3
167.03728	2.7
167.07056	0.5
171.11684	0.2
175.07486	0.2
177.02159	1.0
178.00568	2.1
185.13348	0.2
187.07689	0.2
195.03217	100.0
196.03534	1.0
210.11362	0.2
231.05099	0.2
242.11729	0.2
270.11014	0.2
272.14505	0.4
273.14410	0.3
281.17325	0.2
302.13846	0.3
339.12228	0.7
353.12466	0.3
353.16248	2.1
353.66428	0.3
373.67593	0.2
443.18958	0.8
443.24725	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	442.2651
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	23.1
57.07064	1.2
59.05002	1.6
60.04510	1.1
61.02924	8.1
67.05482	1.4
69.03433	48.6
69.07059	1.2
70.70823	3.0
71.04983	1.6
71.08640	1.7
71.87116	1.1
73.02922	27.5
77.86956	0.9
79.33855	1.0
79.64690	1.1
81.03417	5.5
81.07043	1.6
85.02909	100.0
87.04472	23.5
91.03960	4.6
91.05511	2.2
97.02897	59.3
98.21365	1.1
99.04459	3.4
109.02879	6.3
111.11729	1.4
115.03932	55.9
116.02424	1.0
127.03934	23.9
133.04976	48.6
145.04965	54.5
150.07620	9.2
163.06039	25.9
180.13899	2.1
186.62206	1.2
223.05988	2.8
226.14478	1.2
241.07043	4.5
254.17415	1.8
259.08044	5.3
277.09415	1.7
293.19629	5.2
295.10367	3.1
300.18185	1.4
394.13547	1.3
442.24969	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	442.2646
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	0.9
54.97902	0.8
55.01434	0.8
55.01877	7.1
55.97229	0.7
56.76105	0.7
56.96538	1.1
57.03190	1.0
57.03442	13.2
57.07062	1.2
59.04995	1.5
61.02930	13.8
64.90794	0.8
66.67400	1.0
67.05515	1.1
69.03429	29.3
69.07072	2.1
69.85088	3.6
70.06576	1.7
71.01364	4.0
71.04981	1.7
71.08628	2.2
73.02920	65.6
73.33538	0.7
76.24884	0.7
77.11223	0.8
78.14074	0.7
81.03444	5.9
81.07071	1.6
85.02907	100.0
87.04470	6.0
90.71105	0.8
91.03951	3.5
91.05480	2.0
93.07050	1.3
94.32277	0.8
96.04452	0.8
97.02894	51.4
97.06515	1.7
98.97639	0.9
99.04462	5.3
101.02393	0.9
103.03930	3.1
105.07028	1.7
107.08617	1.2
109.02886	7.8
109.10138	1.1
111.04482	0.8
111.11745	1.4
115.03934	25.7
117.07079	1.0
121.06491	1.6
123.04444	0.9
125.09657	0.8
127.03923	32.7
133.04968	33.5
138.09140	2.1
142.87192	0.8
144.06628	0.9
145.04961	54.6
150.07608	3.3
151.03970	0.9
156.70181	0.8
163.03923	1.9
163.06010	24.5
177.05577	0.8
184.07446	0.9
193.05045	1.4
199.06067	1.9
217.07158	1.9
223.06099	4.6
227.16364	1.3
241.07095	5.9
254.17422	1.1
259.07962	9.2
277.09213	2.7
293.19513	4.1
295.10275	3.7
382.29092	0.9
442.18820	1.6
442.24957	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	441.373
Annotation	21alpha-Hydroxyonocera-8(26),14-dien-3-one
Peak:m/z	Relative Intensity
53.03961	1.5
55.05516	13.8
57.07075	17.7
59.04998	6.5
63.55630	1.7
65.03939	2.4
67.05511	22.6
68.58734	1.8
69.06721	2.7
69.07069	26.1
69.25224	4.7
69.25641	9.6
71.04995	13.3
71.08636	24.0
72.05777	1.9
73.06555	2.9
77.03871	2.0
79.05494	12.0
81.07059	49.5
83.04991	1.9
83.08604	13.7
85.06513	1.5
85.10172	13.1
87.04449	1.9
89.06021	6.9
90.01932	8.9
91.05472	19.4
93.07043	50.5
95.05012	2.1
95.08608	75.4
97.06522	4.8
97.10184	5.5
99.08110	11.3
105.07034	39.7
105.07761	2.0
107.08595	74.0
109.06538	3.5
109.10158	70.2
110.10556	2.3
111.08083	12.0
117.07044	4.9
119.08583	58.5
121.06521	2.2
121.10147	60.2
123.08090	3.9
123.11697	30.7
125.09650	4.7
127.11189	19.6
131.08575	9.5
133.10130	65.9
135.08061	13.5
135.11696	59.3
137.09637	2.8
137.13263	13.0
139.11186	2.2
143.08640	3.1
143.10756	1.9
145.10124	25.6
147.11687	48.7
149.09665	4.0
149.13268	42.6
151.11205	3.6
153.12779	2.4
155.14316	1.6
156.40625	1.8
157.10182	6.1
159.11703	35.8
160.06319	1.7
161.13252	34.7
161.14597	2.2
163.11136	9.8
163.14854	17.0
164.94887	1.6
165.12860	3.0
171.11685	3.8
173.13263	17.6
175.11293	1.8
175.14839	28.5
177.12804	6.7
177.16399	10.2
179.14349	2.6
184.18297	2.2
185.13292	3.3
185.19034	2.2
187.14806	23.0
189.16374	32.4
191.14336	3.4
191.17960	8.7
193.16028	2.7
199.14832	5.0
201.16399	29.9
203.14410	2.9
203.17966	45.0
205.15874	24.3
205.19527	3.3
207.17459	18.0
213.16409	4.6
215.17978	17.5
217.05792	2.0
217.16145	2.8
217.19518	61.8
219.17422	10.7
221.19049	4.3
222.09746	3.0
227.17886	2.1
229.19579	2.9
231.17575	2.5
231.21057	2.4
233.19052	8.0
235.20535	12.4
235.62852	1.8
241.19563	3.7
243.21049	3.1
245.19034	2.5
253.19342	2.1
259.20609	2.0
269.22815	2.0
283.24222	2.2
299.24002	1.9
313.24985	2.2
321.25784	2.2
339.26935	2.0
343.30093	6.7
355.30078	5.2
405.35104	8.9
423.30887	3.9
423.36316	80.7
436.27356	1.7
441.37350	100.0
442.37543	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	441.3727
Annotation	Soyasapogenol C
Peak:m/z	Relative Intensity
55.05504	18.9
57.07074	10.2
59.23805	3.6
67.05499	44.4
69.07064	26.4
71.04998	4.3
71.08628	6.4
71.52711	4.1
79.05489	33.4
81.07058	87.5
83.08614	16.9
86.09721	5.6
91.05485	31.9
93.07046	56.0
95.07990	5.3
95.08601	100.0
96.65682	3.4
97.06514	5.1
97.10173	9.3
105.07047	51.8
107.08599	75.5
109.06491	6.2
109.10157	64.8
111.08076	5.8
111.11721	5.3
117.06995	9.8
119.08585	55.2
121.10139	64.4
123.08092	7.2
123.10947	4.1
123.11711	26.2
125.09657	4.2
131.08534	31.2
133.10123	35.8
135.07991	5.7
135.11697	50.1
137.13243	10.7
139.11269	5.2
143.08585	6.2
145.10127	38.1
147.11691	35.9
149.09598	6.3
149.13239	41.4
154.62277	4.6
157.10115	9.9
159.11694	39.8
161.13246	29.1
163.14816	15.0
171.11673	7.5
173.13263	17.4
175.14758	20.4
177.16382	9.9
185.13281	7.9
187.14813	16.5
189.16396	30.2
191.17950	89.3
199.14828	8.6
201.16374	18.2
203.17963	24.3
205.15834	5.9
205.19479	7.7
207.17476	13.4
213.16495	8.1
215.18037	21.9
217.19530	9.5
219.17435	16.9
231.17438	9.2
233.19058	17.7
243.21107	6.1
365.12405	4.0
405.35275	5.0
423.36365	42.5
441.37610	56.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.3733
Annotation	Soyasapogenol C
Peak:m/z	Relative Intensity
55.05515	9.8
57.03435	2.9
57.07084	7.0
59.05009	2.8
61.41464	2.2
67.05505	19.5
69.07069	16.5
71.08642	5.9
79.05499	15.9
81.07066	46.3
81.07530	3.1
83.08647	8.7
85.06563	8.2
85.10213	2.6
86.09756	2.1
89.06034	7.3
91.05482	12.9
91.25163	2.4
93.07050	41.0
93.07553	3.2
95.04987	2.0
95.08613	79.6
95.87641	2.1
97.06546	4.0
97.10187	7.8
99.08116	2.6
105.07039	34.0
107.08601	57.9
107.09297	3.0
109.06535	2.1
109.10159	48.5
111.08120	7.1
111.11742	2.7
113.09676	5.8
117.07035	4.8
119.08595	49.5
121.06567	6.4
121.10153	50.3
121.11031	2.7
123.08119	3.7
123.11732	21.5
125.09647	3.4
131.08604	9.0
133.08588	4.7
133.10138	30.0
135.11702	37.3
136.05743	2.2
137.13300	7.6
143.08635	2.4
145.10120	25.6
147.11697	32.9
149.13268	23.8
151.11221	2.8
153.74324	2.6
157.10153	4.2
159.11720	22.7
161.13283	27.2
163.14828	28.3
165.09117	4.7
171.11682	4.0
173.13252	17.3
175.14827	25.1
177.16388	15.0
179.14375	3.0
184.07344	4.6
185.13333	3.6
187.14854	16.0
189.16403	27.1
191.14404	9.0
191.17953	53.2
191.19615	3.4
193.15918	2.6
199.14935	4.4
201.16391	22.4
203.17996	27.4
205.15990	2.4
205.19626	8.2
207.17563	9.2
213.16603	4.6
213.19989	2.3
215.17972	24.1
215.19675	2.3
217.19678	9.0
219.17545	9.7
219.21111	2.5
221.19153	5.9
227.17941	4.5
227.76070	2.5
229.17691	2.4
229.19446	10.9
231.17653	4.3
231.21094	2.2
233.19022	31.5
241.19658	4.3
243.21135	4.0
245.19022	3.0
245.22737	3.2
247.20628	3.7
257.22806	3.4
261.22275	3.9
283.24112	2.6
292.54999	2.1
315.18591	2.8
360.46716	2.6
395.37122	3.3
405.35309	6.3
423.36282	91.3
441.37521	100.0
442.37650	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	441.1734
Annotation	Lys-Trp-OH
Peak:m/z	Relative Intensity
53.47211	0.4
54.39225	0.4
63.97356	0.4
70.23558	1.4
74.45766	0.4
81.07037	0.8
92.89224	0.4
107.06076	0.4
107.08569	0.7
108.98292	0.4
112.96661	0.4
124.62170	0.4
163.81213	0.4
178.23685	0.4
185.04128	0.5
193.12004	2.2
203.05283	1.7
227.05312	0.6
245.06313	2.8
253.12701	0.7
282.54538	0.4
289.05353	2.6
334.96259	0.4
337.16275	0.6
355.17276	9.4
373.17136	0.7
379.17462	0.6
397.18338	26.2
398.18634	0.6
441.17343	100.0
442.17694	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	441.3365
Annotation	Unknow
Peak:m/z	Relative Intensity
51.00862	1.3
51.68763	1.3
53.03946	5.0
55.01864	1.9
55.05516	24.1
56.79614	1.5
57.07074	6.6
65.03938	2.6
67.05508	29.5
69.03456	1.9
69.06722	3.0
69.07069	27.9
71.04993	3.8
71.08629	3.3
71.52512	1.9
74.11444	1.5
78.69197	1.5
79.05494	27.5
81.03433	1.9
81.07056	57.4
83.04977	8.7
83.08613	16.2
85.02913	3.6
85.06574	3.5
91.05480	26.2
93.07043	60.9
95.04967	8.4
95.08606	71.9
97.06540	14.9
97.10168	14.3
99.08105	2.4
105.07030	49.0
107.04920	2.7
107.08595	100.0
108.11561	1.3
109.06554	3.9
109.10152	50.7
111.08057	10.5
116.98664	1.7
117.07000	10.4
119.06154	2.0
119.08583	53.4
121.06494	3.1
121.10146	83.3
123.08054	13.0
123.11699	22.1
124.07536	1.6
125.09641	7.1
127.07565	1.6
127.11225	2.7
128.06207	2.6
129.07027	8.2
129.09206	2.0
131.04936	1.7
131.08562	26.0
133.10129	44.2
135.08060	5.9
135.11694	41.2
137.09608	3.6
137.13261	19.0
139.07553	3.8
142.07770	2.7
143.08540	12.2
144.09344	3.6
145.06461	3.8
145.10123	33.0
147.08034	2.4
147.11691	38.1
149.09639	4.9
149.12042	3.1
149.13254	63.5
151.11194	3.5
151.14812	4.2
153.09091	14.0
155.08572	4.0
157.10149	12.5
158.10997	1.6
159.11694	39.5
161.09590	3.0
161.13266	30.4
163.11197	3.1
163.14832	16.3
165.09116	3.7
165.16425	2.1
167.10707	10.2
169.10336	3.4
169.12198	1.7
171.11707	14.9
173.11812	2.2
173.13255	24.1
175.11227	2.5
175.14827	17.9
177.12767	3.9
177.16370	6.4
179.10718	4.1
179.14282	1.8
181.10133	2.1
181.12238	4.9
183.11693	2.7
185.13205	12.1
187.14835	24.4
189.16396	12.5
191.14336	3.8
191.17957	3.3
193.12248	4.1
193.15977	1.6
195.11861	1.7
195.13785	2.8
197.13266	6.3
199.14825	12.6
201.16409	17.1
203.14340	7.1
203.17970	9.9
205.15857	5.0
207.13792	1.8
207.17337	2.5
209.13344	4.1
209.15375	4.2
211.14839	3.6
213.16380	11.5
215.14374	2.8
215.17955	10.5
217.15848	7.4
217.19487	4.6
219.17346	8.0
221.15410	6.3
223.16896	4.3
225.16455	3.8
227.18010	8.6
229.15923	3.1
229.19576	2.7
229.23111	1.8
231.17429	8.3
233.19049	5.5
235.16943	3.2
239.18001	2.2
241.19576	5.6
243.17441	2.5
245.18980	3.3
247.16946	2.3
253.19470	3.0
255.21080	4.5
257.19058	3.0
257.22656	6.3
259.20480	3.0
267.21173	2.6
271.20615	2.2
275.20047	7.7
281.22546	1.8
293.21271	3.2
297.22009	2.6
299.23584	8.1
301.21866	1.8
317.24875	9.8
323.27341	1.9
325.25247	3.4
327.26831	2.7
339.23209	1.8
343.26389	2.9
345.27856	4.7
363.30270	3.2
365.28561	3.3
367.22610	2.4
381.26810	2.7
381.31506	33.3
383.29190	7.5
395.33020	7.0
405.31403	11.0
423.32285	34.4
433.98270	1.9
441.26703	5.1
441.33252	34.2
463.91135	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.173
Annotation	Lys-Trp-OH
Peak:m/z	Relative Intensity
51.29670	0.6
63.19815	0.6
69.03423	1.1
69.98466	0.5
70.06574	0.6
71.52579	0.7
79.05484	0.8
82.88440	0.5
85.02904	0.9
86.09708	0.6
87.16727	0.6
93.07044	1.2
103.86199	0.5
105.06960	0.6
107.08606	1.3
134.91173	0.6
143.01950	0.6
163.03934	1.7
174.05368	0.7
175.04153	0.7
175.05650	0.9
192.06242	1.0
193.06609	1.3
193.11909	1.4
227.05301	0.8
272.61182	0.6
287.03720	0.8
355.17078	3.3
379.17316	2.0
397.18369	22.2
423.16241	8.4
441.17328	100.0
442.17612	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.1735
Annotation	Unknow
Peak:m/z	Relative Intensity
50.42744	1.1
57.03431	1.1
58.15803	1.1
66.81228	1.2
69.03432	1.9
69.07050	1.3
69.39870	2.0
69.40276	7.0
70.06570	2.6
72.08157	1.8
81.07066	2.6
85.02905	1.8
86.09718	10.9
91.05479	2.4
93.07061	3.6
95.27687	1.0
97.02919	1.2
98.97575	1.1
105.07085	1.2
107.08607	2.9
116.07127	2.2
119.01933	1.5
119.08578	1.4
124.99060	1.1
139.03944	1.5
143.01903	2.2
147.04369	1.3
157.03467	1.4
161.02945	1.4
161.05893	1.4
163.03900	2.1
176.40181	1.3
176.83920	1.2
193.12082	2.7
203.05316	1.5
223.95659	1.1
239.13837	2.4
243.04799	7.8
245.03961	1.3
245.06187	2.5
257.14804	1.6
271.04327	2.3
287.03748	78.8
288.04202	1.4
289.05298	29.1
328.18701	1.9
397.18420	9.4
441.17310	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.1734
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05530	0.8
67.05506	1.3
69.03413	0.7
70.06579	1.9
71.52738	1.1
72.08161	1.4
81.07056	1.2
84.08116	0.8
85.02893	1.7
91.05491	1.1
93.07042	2.3
95.08614	1.1
96.08144	1.2
97.02893	1.5
97.10204	0.7
105.07034	1.0
107.08627	1.0
111.08015	0.6
119.01923	1.1
120.08136	0.8
123.04420	2.2
123.08130	0.9
127.03919	0.9
139.03912	10.9
143.01918	1.1
147.04442	1.1
151.03876	5.6
157.03452	0.8
161.02942	1.6
163.03937	2.1
177.05464	1.1
187.00938	1.3
193.04988	2.3
193.12064	2.8
201.03691	1.5
203.05292	8.5
207.15254	0.5
219.01671	0.7
227.05197	1.0
243.04805	9.0
245.06314	3.4
250.78217	0.7
253.96237	0.7
271.04413	1.0
287.03741	71.7
289.05222	32.9
301.07010	0.8
303.17206	0.7
397.07645	0.8
397.18323	8.7
409.17685	0.8
441.06747	2.4
441.17273	100.0
441.24463	37.0
442.17593	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	441.1549
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05486	3.3
56.96569	10.2
66.64056	1.8
67.05499	4.2
69.03452	1.8
69.07059	4.3
69.31222	12.7
71.95226	2.0
79.05473	3.6
81.07065	17.3
84.29799	1.6
84.96046	10.7
84.96481	1.8
91.05486	3.0
93.07031	4.3
94.06566	1.9
95.08604	6.7
98.97591	100.0
105.07023	4.0
107.08570	5.3
107.97616	2.1
109.02842	2.6
109.10187	2.8
110.97579	13.4
112.99145	21.7
116.98639	21.4
119.08580	3.7
121.10117	2.1
128.98605	6.2
131.00166	15.5
133.10149	2.0
134.06886	1.6
134.99657	2.7
140.00229	3.8
140.98616	5.5
143.00186	2.7
144.98056	3.2
145.10117	2.7
147.57809	1.9
149.01224	2.9
156.98059	2.2
158.99657	34.9
159.11732	3.0
162.05818	2.0
171.23114	2.1
173.01205	17.8
177.00740	15.6
184.97574	3.0
185.01094	1.8
189.00713	2.0
191.02304	8.0
195.75232	1.8
200.02296	2.0
201.00722	4.7
202.98586	3.7
219.01801	18.3
237.02760	10.8
244.99686	8.0
253.02333	3.3
253.10905	2.0
259.01273	2.1
263.00903	2.5
303.01114	2.4
335.61679	1.9
355.10095	2.8
355.14297	49.8
373.15308	29.6
396.16919	4.1
397.10587	3.3
397.15329	44.1
415.16293	5.8
423.14322	4.6
441.15219	28.0
441.26572	3.1
441.32941	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	441.1158
Annotation	Unknow
Peak:m/z	Relative Intensity
54.72446	1.2
55.01858	1.3
56.96570	6.9
59.04978	1.8
59.30642	1.2
59.55920	1.1
62.79210	1.2
64.24416	1.1
68.52981	1.2
70.00980	4.2
70.06590	2.0
84.96041	4.3
91.15786	1.3
97.96809	5.3
98.97591	31.0
110.97591	11.7
112.99144	2.1
115.73655	1.3
116.98617	5.3
123.04445	7.1
124.99123	1.4
125.28262	1.3
128.98625	8.1
131.00206	1.4
140.98613	4.2
143.00165	3.7
146.99634	1.7
147.04486	1.6
152.98599	2.4
155.00198	1.4
158.99651	6.7
161.01222	3.1
170.99709	2.6
176.79648	1.5
177.00687	1.9
177.70140	1.2
193.04951	5.6
201.00754	3.0
205.04929	2.3
207.03354	9.6
207.87880	1.4
219.01756	16.4
225.04332	2.5
235.05995	4.1
237.02870	11.8
242.10066	2.7
286.12869	1.4
289.07043	3.1
301.07019	1.5
301.11749	1.6
302.12326	1.5
309.06482	12.0
318.13934	2.1
327.07520	33.5
423.14099	14.5
441.11215	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.103
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02394	0.2
53.03936	0.6
54.86481	0.2
55.01870	0.4
55.05496	0.2
57.03423	0.5
59.04992	0.3
60.65594	0.2
69.03427	1.3
69.07058	1.0
69.43501	0.6
69.43907	1.0
70.06590	1.1
73.02906	0.3
81.03415	0.9
81.07037	0.4
82.06576	0.2
84.04491	0.3
84.08134	0.3
85.02905	3.0
86.09699	0.4
87.00832	1.1
89.03899	0.3
91.05466	0.7
97.02892	1.2
98.97617	0.5
99.04446	0.6
99.42715	0.2
102.48788	0.2
105.01852	0.7
105.03432	0.4
105.07036	0.2
109.02890	1.6
109.53017	0.2
111.11697	0.5
115.04015	0.3
116.07098	0.3
117.03357	0.4
119.04905	0.5
121.06516	0.2
122.03618	0.5
123.04429	0.7
124.07531	0.3
127.03915	2.3
129.12738	0.5
130.31639	0.2
133.02856	14.9
135.04449	0.2
137.05974	3.5
139.03915	0.3
145.04962	0.9
147.04391	1.5
147.13820	0.3
149.05986	1.5
150.03113	0.6
150.98305	0.2
151.03873	0.4
159.02922	0.7
161.02303	0.3
163.03896	0.8
165.05478	1.8
169.29228	0.2
177.05453	0.6
178.02614	7.1
189.05481	0.4
193.04965	100.0
194.05309	0.9
205.04901	0.4
217.05119	0.4
223.56027	0.2
235.06009	1.1
259.05869	0.3
301.07077	0.6
303.08478	0.4
304.08978	0.5
441.12793	1.0
441.19135	0.3
441.25333	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	440.3587
Annotation	Unknow
Peak:m/z	Relative Intensity
52.56462	1.8
53.03954	2.1
55.05490	4.9
56.96548	1.9
57.07078	31.8
57.12373	1.9
59.04975	1.9
61.83640	1.6
63.31104	1.6
67.05489	5.8
68.11712	1.7
69.07065	8.7
71.08300	2.4
71.08635	29.8
71.52396	1.9
73.06538	3.6
79.05477	6.5
79.29247	1.5
79.77395	1.5
79.97589	1.7
81.03413	1.6
81.07043	9.3
83.08614	6.8
85.10182	22.7
87.04466	2.7
89.06030	100.0
91.05440	4.0
93.07032	5.6
95.04980	2.8
95.08591	7.2
96.08922	2.3
97.06503	2.6
99.11730	2.6
105.07026	4.6
107.07051	2.5
107.08578	3.6
109.10143	7.0
109.13905	1.6
113.05968	4.6
117.09100	1.7
119.08574	4.9
120.01857	1.6
121.10181	4.0
123.11742	4.0
127.11189	3.3
127.70515	1.7
130.08611	2.4
131.08582	2.1
133.08603	45.3
133.10123	2.5
135.11711	2.1
141.16394	5.0
145.10074	2.2
160.12112	1.7
177.11226	15.7
185.19066	4.2
197.13312	1.9
229.21672	11.0
232.45526	1.9
239.14926	4.4
269.10519	2.0
273.24234	4.6
283.17523	17.3
307.13388	1.8
345.81250	2.3
379.30557	2.8
398.49567	1.8
422.34933	2.4
423.33066	32.6
439.15488	2.3
440.36362	9.1
464.68176	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.1008
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	0.6
56.96576	0.7
58.19629	0.5
67.51643	0.5
70.06585	0.5
70.30984	2.3
86.09751	0.5
89.03937	0.9
98.21488	0.6
98.97572	1.2
117.03429	1.2
121.75012	0.6
135.04434	2.3
145.02858	1.5
150.05511	1.7
150.86418	0.6
151.05861	0.7
153.53226	0.5
163.03932	11.6
177.01645	2.2
192.03943	18.3
193.04732	6.6
193.94821	0.6
214.03319	1.1
218.99741	0.6
227.05383	1.2
237.02879	0.6
261.03137	0.6
271.04239	1.8
355.09897	4.0
379.09891	0.8
397.11081	24.8
397.16299	1.2
441.10074	100.0
442.10480	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	440.3587
Annotation	Unknow
Peak:m/z	Relative Intensity
52.56462	1.8
53.03954	2.1
55.05490	4.9
56.96548	1.9
57.07078	31.8
57.12373	1.9
59.04975	1.9
61.83640	1.6
63.31104	1.6
67.05489	5.8
68.11712	1.7
69.07065	8.7
71.08300	2.4
71.08635	29.8
71.52396	1.9
73.06538	3.6
79.05477	6.5
79.29247	1.5
79.77395	1.5
79.97589	1.7
81.03413	1.6
81.07043	9.3
83.08614	6.8
85.10182	22.7
87.04466	2.7
89.06030	100.0
91.05440	4.0
93.07032	5.6
95.04980	2.8
95.08591	7.2
96.08922	2.3
97.06503	2.6
99.11730	2.6
105.07026	4.6
107.07051	2.5
107.08578	3.6
109.10143	7.0
109.13905	1.6
113.05968	4.6
117.09100	1.7
119.08574	4.9
120.01857	1.6
121.10181	4.0
123.11742	4.0
127.11189	3.3
127.70515	1.7
130.08611	2.4
131.08582	2.1
133.08603	45.3
133.10123	2.5
135.11711	2.1
141.16394	5.0
145.10074	2.2
160.12112	1.7
177.11226	15.7
185.19066	4.2
197.13312	1.9
229.21672	11.0
232.45526	1.9
239.14926	4.4
269.10519	2.0
273.24234	4.6
283.17523	17.3
307.13388	1.8
345.81250	2.3
379.30557	2.8
398.49567	1.8
422.34933	2.4
423.33066	32.6
439.15488	2.3
440.36362	9.1
464.68176	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	440.2641
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.4
55.01871	0.8
55.05314	0.7
55.05519	8.1
56.05038	3.3
56.96558	0.8
57.03427	2.0
59.28043	0.6
61.02924	1.2
65.03944	1.0
66.85994	0.6
67.05506	18.5
68.05833	1.7
69.03433	1.7
69.07073	14.2
69.69147	4.1
70.06582	0.8
71.04997	3.1
72.08174	0.7
72.65194	0.6
72.75998	0.6
79.05498	14.9
80.05829	0.8
81.03425	4.0
81.07057	14.8
83.04989	4.0
83.08618	2.8
84.04508	100.0
85.02901	3.0
85.06523	1.6
91.05486	12.6
92.05829	0.7
93.07043	14.5
94.07336	0.7
95.04974	6.0
95.08609	9.3
96.05324	0.7
97.02908	1.2
97.06544	2.4
97.10175	2.2
98.20853	1.2
99.08128	0.9
99.22388	0.7
102.05545	15.4
105.07027	9.2
106.07391	0.7
107.04959	6.7
107.08611	8.0
109.06517	2.0
109.10168	9.1
110.10511	2.1
111.08086	1.4
115.62079	0.7
117.07038	3.4
119.08611	7.8
120.08910	0.9
121.06494	1.1
121.10149	8.4
123.08064	0.7
123.11707	1.8
125.09603	1.5
127.71013	0.7
129.07037	1.2
130.05008	72.9
131.08577	4.5
133.06512	0.9
133.10126	7.2
135.08054	6.7
135.11740	1.8
137.09627	1.3
139.11197	4.2
143.08609	0.7
145.10150	3.1
146.10617	0.9
147.11688	4.0
148.06055	30.5
149.09651	2.9
149.13335	0.9
150.71078	0.6
151.11160	0.9
155.10670	1.3
157.10146	1.4
159.11749	2.4
163.03951	0.9
163.11217	0.9
167.10722	0.7
171.11708	0.9
173.11783	1.3
173.13330	1.2
175.11205	1.1
180.13855	1.7
183.13713	1.2
185.13307	0.7
189.11203	1.1
191.03418	1.9
192.03793	1.9
193.12274	1.2
194.12621	0.8
203.12793	6.3
211.13351	2.1
214.10880	0.9
229.07497	0.8
237.14853	4.6
239.18022	1.1
240.16066	1.3
257.19031	2.1
275.20087	28.7
285.10434	0.8
293.21121	18.8
293.36240	0.7
368.93625	0.7
394.25998	2.3
422.26242	2.0
440.26611	21.7
441.28143	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	440.1486
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	0.7
56.96549	1.2
58.99585	4.0
60.81400	0.6
67.05500	1.2
70.06573	1.0
71.52685	0.8
76.02232	7.0
84.04488	1.3
86.99048	2.0
91.05496	1.4
94.06549	0.9
98.97556	1.3
100.02204	6.2
105.00108	1.6
108.04485	1.0
122.06018	1.2
136.07582	1.7
137.05980	1.1
138.05495	1.2
139.03989	1.0
146.02725	8.8
150.05513	0.9
152.03513	0.8
158.09688	0.7
168.08130	1.2
170.09697	2.1
172.07571	2.1
175.08705	3.0
185.10797	1.3
186.09149	2.5
188.03737	2.3
189.10233	2.8
196.04233	1.3
196.07579	2.7
198.09258	5.3
199.08694	1.6
200.07152	1.3
200.10750	1.4
210.09169	1.4
213.10214	10.0
214.08644	2.2
215.08195	1.2
215.11829	3.5
217.09700	4.2
224.07086	1.3
226.07201	1.2
227.08212	2.6
227.11639	3.5
231.11253	1.6
234.04317	0.7
235.10808	6.1
239.08290	1.3
240.08948	3.3
241.09720	28.2
242.04819	1.8
242.08176	3.7
242.10226	1.5
243.09172	1.5
243.11353	16.8
254.06357	1.4
254.10463	1.5
255.11400	4.9
256.10837	1.6
257.12814	1.3
258.12381	8.5
259.10779	25.0
260.09268	2.0
271.08862	1.4
271.13150	1.9
273.06931	1.8
273.12234	1.8
277.11786	1.2
283.10760	8.3
284.09186	1.8
284.14011	1.6
285.12317	10.6
286.09601	2.0
299.08551	2.7
300.10983	1.4
301.08466	1.4
301.11844	28.3
302.10281	3.0
303.13416	4.8
317.10016	0.8
317.13708	21.3
318.12589	4.1
319.12894	4.4
327.07541	1.5
358.10245	0.8
360.13599	1.6
362.11603	9.2
363.10049	3.9
378.14999	1.3
404.12747	17.3
405.11069	5.4
422.13818	100.0
423.12225	10.5
441.10977	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	439.3574
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	9.6
55.14304	1.6
57.07068	3.6
61.15992	1.5
67.05502	18.9
69.07071	13.9
70.91343	3.1
72.21642	1.4
79.05499	9.5
81.07053	26.1
83.08638	7.9
91.05483	7.3
93.07050	28.7
95.08611	55.5
97.10162	4.7
105.07036	25.8
107.08604	47.8
109.10167	52.5
109.38150	1.5
117.07021	2.2
119.08588	37.7
121.10151	35.0
123.11711	12.0
125.09663	2.1
131.08577	3.6
133.10129	35.7
135.08095	1.7
135.11700	25.2
137.13303	3.3
139.07539	2.3
141.06972	1.5
145.10124	5.9
147.11690	26.7
149.13278	17.7
153.09109	5.8
159.11679	5.8
161.13269	22.9
163.14841	18.0
167.10747	3.8
173.13261	6.8
175.14838	13.6
177.16364	9.6
187.14832	4.9
189.16393	34.3
189.18112	2.0
191.17957	100.0
192.18039	1.7
193.12119	2.2
199.14763	1.7
201.16377	6.6
203.17960	88.9
205.19525	24.2
207.17471	1.5
215.18016	7.1
217.19557	17.4
221.15495	2.3
221.18907	2.6
229.19490	2.6
231.17395	2.9
231.21065	4.7
235.16949	5.0
247.17029	6.2
249.18500	21.6
255.21106	1.7
261.18478	4.8
275.19882	1.7
297.25952	1.9
303.67157	1.5
369.27933	1.7
393.35269	7.4
421.34424	5.6
439.35736	48.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.3573
Annotation	Calocedimer A
Peak:m/z	Relative Intensity
53.03942	3.2
55.05517	16.7
57.07066	9.7
59.04977	3.8
65.03931	3.7
67.05503	31.0
69.07069	17.6
69.33977	11.1
69.34391	10.1
71.08640	5.7
75.09599	2.8
79.05500	24.1
81.07056	55.3
82.95644	2.8
83.05003	3.2
83.08617	9.0
85.10162	2.8
89.06013	3.7
91.05463	18.0
91.91737	2.9
93.07043	46.0
95.04992	6.6
95.08611	78.9
95.89976	3.0
96.08974	3.1
97.06541	5.7
97.10198	4.1
99.08075	3.5
105.07034	45.0
107.08592	71.2
108.08991	2.7
109.06528	9.6
109.10154	59.6
109.10846	4.6
111.08099	6.9
117.07044	7.7
119.08575	48.1
120.08936	4.6
121.10139	58.0
123.08066	5.4
123.11691	18.6
125.09623	6.5
127.11216	4.4
128.47725	3.2
131.08554	20.7
133.10138	43.6
135.08066	7.8
135.11690	26.2
137.09648	5.7
137.13269	4.2
143.08565	5.0
145.10123	39.0
147.11697	29.8
149.09674	5.0
149.13255	24.3
150.40601	2.9
151.11208	4.5
157.10156	8.1
159.11693	54.8
161.13269	47.4
163.11162	18.7
163.14856	24.0
165.12770	3.5
171.11777	10.3
173.13280	23.8
175.11223	4.4
175.14839	21.9
177.12708	7.6
177.16365	6.8
180.36772	2.9
182.22624	2.7
185.13348	4.4
186.13959	3.1
187.14821	14.7
189.16412	15.4
190.16687	3.9
191.14267	4.0
191.17984	12.1
192.18295	2.9
199.14848	11.0
201.16406	34.1
202.16829	4.9
203.14415	4.4
203.18018	17.2
205.15874	27.7
207.17508	6.6
213.16451	7.0
215.18034	22.6
219.17453	22.8
221.19043	5.7
227.17854	3.7
231.17426	5.9
233.18970	14.3
259.20715	3.1
265.19659	3.3
313.25427	5.0
381.31580	9.6
403.33545	6.2
421.34659	53.1
422.35468	4.6
439.35703	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.3571
Annotation	Calocedimer A
Peak:m/z	Relative Intensity
53.03941	4.6
55.05280	1.8
55.05516	14.6
57.07074	9.5
59.05938	1.8
61.09333	1.7
65.03951	2.2
67.05509	41.7
69.07070	19.2
69.32178	16.7
71.04991	3.0
71.08638	3.4
79.05484	25.0
81.06594	3.2
81.07064	62.5
83.08621	9.2
89.06036	4.4
91.05482	26.1
93.07046	51.0
95.04940	2.7
95.08611	100.0
95.15248	1.8
97.06545	3.7
97.10176	3.8
99.08089	4.4
105.07032	46.0
107.07874	3.9
107.08597	71.3
109.10155	60.1
111.08092	6.4
113.09614	2.5
117.07041	6.8
119.08585	50.4
119.09376	3.7
121.10149	48.1
123.08075	9.9
123.11713	17.7
125.09646	6.5
127.11156	3.5
129.06958	2.1
131.08543	17.2
133.08592	3.9
133.10147	41.7
135.08054	13.7
135.11703	31.9
137.09622	2.7
137.13263	4.9
139.11180	4.5
143.08583	5.0
145.10143	26.2
147.11687	31.4
149.09589	2.6
149.13251	16.6
151.11151	5.0
157.10135	5.3
159.11699	29.2
161.13268	34.8
163.11176	8.7
163.14838	15.9
165.12758	4.2
171.11667	7.6
173.13263	15.4
175.11182	2.4
175.14835	34.4
177.12766	9.9
177.16377	11.9
185.13333	4.4
187.14821	16.7
189.16399	22.1
191.14389	4.7
191.17970	6.2
193.15923	2.6
199.14870	5.0
201.16379	21.0
203.14345	4.9
203.17940	11.0
205.15894	27.1
207.17480	7.8
209.38460	2.0
212.75786	2.3
213.16409	5.7
215.17966	17.7
217.15883	3.6
217.19571	3.2
219.17451	14.5
220.17018	1.9
227.18007	4.6
229.15894	3.2
229.19678	2.1
231.17505	5.3
233.19106	14.0
241.19540	5.1
255.20950	2.2
259.20468	3.0
293.22797	2.1
295.24338	3.6
297.25729	10.8
313.25269	14.4
315.23657	1.9
315.26788	9.5
363.30231	2.4
381.31543	24.0
403.33444	2.8
421.34613	32.3
422.36011	3.1
439.35794	72.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.3573
Annotation	Calocedimer A
Peak:m/z	Relative Intensity
53.03963	0.7
54.34329	0.8
55.01855	0.8
55.05510	8.6
57.07086	3.9
60.30286	0.7
64.37894	0.7
65.03941	1.3
67.05507	19.1
69.03429	0.9
69.07072	19.1
70.29787	1.9
71.04987	3.8
79.05489	11.3
81.07062	24.1
81.07529	1.6
83.04988	1.9
83.08619	4.7
85.02917	1.1
91.05477	9.6
93.07045	25.0
95.04966	2.3
95.08611	29.0
97.06505	1.7
97.10159	3.2
99.08083	4.7
105.07038	21.0
107.04977	1.0
107.08601	37.8
109.06512	2.2
109.10163	51.4
111.08068	2.2
111.11707	0.8
113.09635	1.1
117.07010	3.5
119.08585	33.3
121.06556	0.8
121.10154	27.7
123.08074	3.2
123.11703	12.4
125.09646	3.1
127.11201	5.9
128.06194	0.9
129.07016	1.6
131.08597	8.3
133.10135	29.1
135.08064	23.6
135.08813	0.5
135.11693	21.9
135.12730	1.3
137.09612	2.7
137.13243	4.8
139.11278	1.1
141.91501	0.7
142.03870	0.7
143.08562	2.8
145.10138	15.4
146.10794	0.7
147.08076	1.8
147.11694	21.6
149.09653	5.3
149.13272	12.2
151.07542	2.0
151.11194	2.7
151.14783	0.9
156.09473	1.1
157.10123	4.8
158.10870	1.2
159.08160	0.7
159.11694	18.7
161.09656	6.6
161.13263	21.3
163.11218	6.0
163.14810	6.6
165.12750	1.4
169.10139	1.0
171.11696	2.8
173.09584	0.8
173.13261	11.3
173.20590	0.7
175.11176	14.7
175.14825	11.3
177.12776	2.5
177.16397	4.3
179.14221	1.0
183.11731	1.2
185.13289	3.2
187.11147	0.8
187.14850	7.1
189.12740	8.7
189.16396	9.1
190.13498	1.0
191.14293	2.3
191.17981	7.0
197.13214	1.8
199.14766	4.1
201.16417	13.3
203.14331	14.2
203.17975	17.2
204.15062	5.1
205.15894	14.9
205.19545	2.3
207.17453	0.9
211.14877	1.1
213.16374	3.4
215.17984	7.8
217.15990	5.1
217.19501	13.5
219.17467	6.9
221.15295	1.3
227.17979	1.5
229.15883	1.6
229.19467	1.4
231.17482	4.9
233.19046	5.1
239.17738	1.3
243.17497	1.1
255.20888	1.1
257.19214	1.2
269.22614	1.5
271.20526	1.4
276.26248	0.7
311.23541	1.1
313.25388	1.2
329.24808	1.4
339.26810	0.8
341.28427	1.4
353.28381	2.0
403.33621	1.8
421.34683	24.0
439.35754	100.0
440.36285	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.3378
Annotation	Unknow
Peak:m/z	Relative Intensity
52.28121	2.2
52.68001	2.3
55.05494	2.2
57.07077	100.0
59.05005	22.8
69.07047	2.9
70.97769	5.5
70.98124	2.8
71.08634	77.3
85.10182	70.9
89.06006	12.8
90.01894	6.6
95.08592	3.4
97.10200	4.4
99.11718	9.7
101.09652	3.1
107.08570	4.3
113.13287	2.9
117.09129	5.9
133.08604	4.4
141.16341	3.6
155.17958	7.8
177.11211	2.7
177.88368	2.4
199.20541	6.3
213.22125	10.4
239.14955	6.2
240.15300	5.0
257.24664	3.5
260.40689	2.5
271.26376	4.8
274.29544	2.5
336.25916	2.7
426.71777	2.9
433.34039	2.7
439.35574	2.8
449.88507	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.3206
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	1.6
53.88626	1.3
55.05509	10.6
55.08583	1.4
56.78120	1.7
57.03430	1.8
57.07077	1.9
57.88313	1.4
67.05188	2.0
67.05510	30.2
69.03416	2.1
69.07070	14.9
71.21914	2.4
79.05492	14.8
81.03420	4.3
81.07059	38.8
83.04984	2.5
83.08632	10.2
85.02876	2.4
88.69087	1.3
91.05477	15.1
93.07043	24.8
95.04965	4.0
95.08613	59.7
97.06522	6.6
97.10153	4.9
105.07036	33.9
107.08593	42.0
109.10156	27.8
111.08070	5.7
117.07003	5.6
119.08583	52.7
121.06537	1.5
121.10140	29.5
123.04420	4.2
123.08066	4.2
123.11695	6.4
124.97488	1.6
125.09586	1.6
129.07037	2.1
130.07866	1.9
131.08582	22.1
133.10133	34.3
135.04395	2.6
135.08115	1.6
135.11681	13.0
142.07756	2.4
143.08539	6.9
145.10121	27.0
147.08041	3.1
147.11694	23.3
149.09602	1.6
149.13261	12.1
151.11226	1.7
153.09100	5.2
155.08562	2.0
157.10110	10.0
159.11702	16.1
161.09616	3.9
161.13243	25.5
163.03888	5.5
163.11172	2.7
163.14827	13.0
169.10052	2.6
171.11711	5.9
173.11812	3.0
173.13239	25.9
175.07507	1.6
175.11229	3.1
175.14832	41.5
177.12733	3.4
177.16370	23.5
183.11711	3.6
185.13290	7.8
187.14809	20.9
189.12741	1.9
189.16389	33.5
191.03403	45.9
191.14319	7.0
191.17995	3.3
193.12285	4.3
193.15860	3.5
197.13217	2.8
199.14815	13.4
201.09245	2.1
201.16376	23.7
203.14365	5.2
203.17970	27.0
205.15947	2.4
211.13206	2.8
211.14958	2.1
213.16347	8.7
215.14371	2.6
215.17953	6.1
217.15872	7.3
217.19478	2.2
219.17465	5.0
225.16328	2.7
227.17989	4.1
229.07381	2.3
241.19499	2.0
245.15207	3.4
247.16901	6.6
249.14719	8.6
253.19600	2.4
261.14828	10.1
263.16434	7.0
267.15863	3.5
271.13220	1.6
297.18738	2.0
325.21692	2.2
343.22430	1.6
375.30301	8.6
379.08206	1.7
393.31552	17.9
421.12619	6.9
421.25510	2.0
421.30923	26.2
439.13864	2.7
439.26740	8.6
439.32034	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.3211
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84768	2.4
51.76449	2.5
53.03942	5.9
55.05515	17.1
56.96570	4.0
57.03419	8.8
57.07066	6.7
60.46416	2.9
61.35047	2.4
66.92546	2.3
67.05506	72.5
69.03464	3.1
69.07072	14.2
69.54388	5.5
69.54793	11.3
71.04989	3.5
79.05481	30.8
81.03442	13.6
81.07060	59.6
83.04978	6.9
83.08611	17.2
85.02899	9.5
91.05486	31.4
93.07048	55.4
95.04981	9.0
95.08614	76.9
97.02864	3.3
97.06525	12.2
97.10200	5.3
99.08109	10.7
105.07034	61.4
105.07690	4.3
107.08603	80.7
109.06517	3.5
109.09466	5.1
109.10165	64.2
111.08085	21.2
117.07026	10.6
119.08583	99.4
121.06522	3.3
121.10157	50.5
123.04404	6.1
123.08063	10.6
123.11725	10.5
125.05968	2.9
125.09657	6.0
128.06267	3.2
129.07014	7.1
131.08574	44.2
133.10138	51.4
135.04393	2.5
135.08029	4.4
135.11693	28.4
137.09581	3.9
143.08542	12.1
144.09418	3.3
145.10127	68.0
147.11678	49.3
149.13290	17.1
151.11215	3.2
155.08557	5.0
155.10553	3.5
157.10143	22.5
159.11694	46.0
161.05986	3.2
161.09665	7.6
161.13271	38.4
163.03896	4.5
163.11165	5.1
163.14812	20.6
169.10135	3.6
170.10959	3.4
171.11688	18.8
172.12520	3.6
173.11798	5.7
173.13248	51.4
175.11192	6.3
175.13452	1.5
175.14832	43.7
176.59431	2.7
177.12741	3.3
177.16408	15.5
179.14365	3.1
183.11671	7.2
184.07446	4.9
185.13286	19.5
187.11226	3.9
187.14825	76.4
189.12819	3.7
189.16379	18.5
191.03392	51.5
191.14320	9.5
193.12274	12.0
193.15950	2.7
195.13858	4.0
197.13292	5.2
199.14857	32.7
201.09210	4.1
201.12683	3.0
201.16382	55.4
203.14400	7.2
203.17950	21.9
205.15862	5.6
209.13335	3.6
211.13293	11.4
211.14919	6.7
212.60112	2.7
213.16373	20.2
215.17929	17.2
217.15874	4.0
219.17432	5.4
221.15341	3.6
225.16475	3.0
227.17932	6.0
229.07521	6.5
229.14249	3.9
229.19672	5.4
233.15337	3.3
238.08295	2.8
239.18047	4.7
241.19521	5.3
247.08569	3.1
253.19640	4.7
261.18515	4.6
267.20740	3.3
269.22513	3.4
271.20551	4.2
305.22644	4.1
321.25745	9.1
375.30658	16.1
393.31540	77.3
394.31540	6.9
395.33209	3.7
403.30014	2.8
421.12778	10.1
421.26096	3.5
421.31061	35.6
439.13617	4.0
439.26755	35.5
439.32108	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.2691
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	2.2
55.01867	2.7
55.05271	1.1
55.05513	13.9
56.96557	2.2
57.03440	7.3
57.07059	1.1
59.04992	3.6
61.02920	1.3
64.22648	0.9
65.03935	2.7
67.05505	100.0
68.05830	1.5
69.03423	3.3
69.07064	6.6
69.19987	1.1
71.04996	7.5
71.52449	1.3
79.05491	18.2
81.03420	30.8
81.07056	27.6
83.04976	6.9
83.08620	15.8
85.02907	19.0
85.06543	3.8
91.05480	22.0
93.07042	15.1
94.55599	0.8
95.04966	14.5
95.08601	13.5
97.02878	3.8
97.06512	7.8
97.10160	2.9
98.97565	1.6
99.08093	2.0
105.07035	12.5
107.04949	3.9
107.08587	10.9
109.06525	3.6
109.10158	66.4
110.10477	1.2
111.04427	1.1
111.08067	6.3
113.06005	2.2
116.98635	1.3
117.07025	1.3
119.08585	15.6
121.06504	1.5
121.10159	6.7
123.04475	2.5
123.08076	1.9
123.11719	2.3
125.09686	1.3
129.06967	4.5
130.05003	1.0
131.08583	6.2
133.06554	1.8
133.10147	7.5
135.04425	1.7
135.11699	2.7
137.02325	1.1
137.09596	3.4
137.13206	1.2
139.03961	1.0
142.07800	1.7
145.10158	2.6
147.08005	1.8
147.11684	8.3
149.09662	3.6
151.11169	1.5
155.10652	4.8
157.10109	7.4
159.11673	2.1
161.13295	1.0
163.03932	2.8
165.12804	1.8
173.11757	17.4
173.13214	2.0
175.11147	7.3
175.14919	1.3
189.11127	1.2
189.16449	1.6
191.03383	15.8
191.18016	2.3
193.12257	27.3
201.16374	1.2
203.17958	2.5
211.13307	32.8
219.10136	1.3
229.14336	5.8
255.08995	2.0
267.09088	3.9
267.13342	1.2
267.15826	5.0
285.10132	2.7
309.10928	1.7
343.08493	1.1
383.17441	1.0
421.25775	3.2
439.26938	88.2
440.27161	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	439.2305
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	0.6
55.01877	0.4
55.05507	0.6
56.96546	0.4
57.03427	0.3
61.02916	0.5
61.92818	0.4
67.05505	0.8
69.03411	0.8
69.07063	0.7
69.28660	0.4
70.06580	1.1
71.04964	0.7
71.53126	0.4
72.08146	1.5
74.02642	0.4
78.03153	0.3
79.05488	0.9
81.03411	1.0
81.07051	1.0
83.08610	0.6
85.02895	1.3
91.05465	1.3
93.07028	0.7
95.04973	0.9
95.08606	1.3
96.01871	0.5
96.08086	0.4
97.02888	3.0
97.06535	1.7
98.09685	0.9
98.97607	0.8
103.05459	0.8
105.03399	0.4
105.07037	1.1
105.84844	0.4
107.04952	0.5
107.08585	1.1
107.81477	0.3
109.06561	0.4
109.10159	1.0
111.04481	0.5
119.08563	1.2
121.06495	0.6
121.10128	0.7
123.04450	0.6
125.02162	0.5
125.09624	0.5
127.03845	0.4
129.07008	1.0
131.08560	1.0
132.57669	0.4
133.02875	2.6
133.06445	0.6
133.10153	0.9
135.04474	0.5
135.07976	0.4
135.11607	0.5
137.05968	2.2
139.03877	0.5
145.06531	0.3
145.10110	0.8
147.11699	0.6
149.06015	1.3
149.13138	0.4
150.06790	0.4
153.05504	0.3
157.04681	0.5
157.06540	0.6
158.05496	0.5
159.08060	0.5
159.11736	0.5
161.05989	0.4
163.03923	1.2
165.05550	0.6
169.04843	0.7
169.06567	0.6
171.11758	0.5
175.07605	0.6
175.11261	0.5
177.05568	0.5
184.07292	0.4
185.06032	0.5
186.04973	0.6
187.07486	0.5
187.11255	0.4
191.03439	2.0
199.14819	0.4
203.05289	3.6
203.10776	0.5
203.18094	0.5
207.06575	0.9
213.05542	0.9
214.27542	0.4
215.07042	0.5
217.08653	0.5
229.08620	0.4
245.08075	0.8
246.08934	0.5
252.73471	0.3
257.04514	0.4
259.16718	2.7
267.15875	0.7
271.06128	0.6
277.17679	1.8
285.10056	0.5
289.57489	0.4
297.07568	0.7
339.14716	0.6
364.66428	0.5
369.18826	5.8
393.13449	0.4
395.16815	0.5
421.12939	0.7
421.22369	0.4
439.23056	100.0
440.23386	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.2305
Annotation	Thr Arg Tyr
Peak:m/z	Relative Intensity
53.03925	0.6
55.01877	0.4
55.05507	0.6
56.96546	0.4
57.03427	0.3
61.02916	0.5
61.92818	0.4
67.05505	0.8
69.03411	0.8
69.07063	0.7
69.28660	0.4
70.06580	1.1
71.04964	0.7
71.53126	0.4
72.08146	1.5
74.02642	0.4
78.03153	0.3
79.05488	0.9
81.03411	1.0
81.07051	1.0
83.08610	0.6
85.02895	1.3
91.05465	1.3
93.07028	0.7
95.04973	0.9
95.08606	1.3
96.01871	0.5
96.08086	0.4
97.02888	3.0
97.06535	1.7
98.09685	0.9
98.97607	0.8
103.05459	0.8
105.03399	0.4
105.07037	1.1
105.84844	0.4
107.04952	0.5
107.08585	1.1
107.81477	0.3
109.06561	0.4
109.10159	1.0
111.04481	0.5
119.08563	1.2
121.06495	0.6
121.10128	0.7
123.04450	0.6
125.02162	0.5
125.09624	0.5
127.03845	0.4
129.07008	1.0
131.08560	1.0
132.57669	0.4
133.02875	2.6
133.06445	0.6
133.10153	0.9
135.04474	0.5
135.07976	0.4
135.11607	0.5
137.05968	2.2
139.03877	0.5
145.06531	0.3
145.10110	0.8
147.11699	0.6
149.06015	1.3
149.13138	0.4
150.06790	0.4
153.05504	0.3
157.04681	0.5
157.06540	0.6
158.05496	0.5
159.08060	0.5
159.11736	0.5
161.05989	0.4
163.03923	1.2
165.05550	0.6
169.04843	0.7
169.06567	0.6
171.11758	0.5
175.07605	0.6
175.11261	0.5
177.05568	0.5
184.07292	0.4
185.06032	0.5
186.04973	0.6
187.07486	0.5
187.11255	0.4
191.03439	2.0
199.14819	0.4
203.05289	3.6
203.10776	0.5
203.18094	0.5
207.06575	0.9
213.05542	0.9
214.27542	0.4
215.07042	0.5
217.08653	0.5
229.08620	0.4
245.08075	0.8
246.08934	0.5
252.73471	0.3
257.04514	0.4
259.16718	2.7
267.15875	0.7
271.06128	0.6
277.17679	1.8
285.10056	0.5
289.57489	0.4
297.07568	0.7
339.14716	0.6
364.66428	0.5
369.18826	5.8
393.13449	0.4
395.16815	0.5
421.12939	0.7
421.22369	0.4
439.23056	100.0
440.23386	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	438.1542
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	5.2
56.05042	10.5
57.03423	4.7
58.99585	13.1
61.01149	3.5
67.05499	3.5
68.05020	5.1
69.07067	2.2
70.02939	5.1
70.06581	2.0
70.10667	5.2
71.04977	4.8
72.04503	9.9
73.01131	2.0
74.00675	11.0
75.01427	1.9
76.01836	2.2
76.02232	31.3
76.04021	10.0
76.04390	1.6
79.05471	3.3
80.05014	9.0
81.05813	3.2
81.97308	1.6
82.06585	3.4
83.06088	6.5
84.04506	99.2
85.01128	36.9
85.02876	5.0
85.04041	3.2
85.06527	1.9
86.00655	35.8
86.98540	3.7
86.99055	66.9
88.02215	4.7
89.00631	4.6
92.01696	1.8
95.04958	4.2
96.04493	2.6
97.01118	8.8
97.06528	27.9
98.00638	2.1
98.06036	2.6
99.02697	2.2
100.02187	4.2
102.00096	2.4
102.03772	20.3
102.05553	14.6
108.04461	4.6
108.08143	2.8
109.07632	3.6
110.05967	2.0
112.02190	30.9
112.03931	3.2
112.07584	1.8
113.00641	2.0
114.00107	3.1
114.03764	15.4
114.05514	4.8
116.01681	30.1
117.01040	1.6
120.08138	1.9
126.03728	3.9
126.05522	1.9
127.02123	6.6
127.43374	1.7
129.06577	4.8
130.03235	17.2
130.05002	34.9
132.01155	3.7
135.05528	2.4
137.08337	5.5
140.01625	2.6
142.03217	19.0
143.02737	35.4
144.01088	6.6
145.02982	2.0
145.06075	4.8
153.06552	4.5
154.06898	2.1
155.08148	5.5
156.06525	4.7
158.02705	8.2
162.02213	16.0
163.03906	8.6
164.04266	2.3
168.04863	2.4
168.06519	3.8
169.04321	8.4
170.02681	2.5
170.06334	12.2
171.02185	5.5
172.07686	1.9
173.09235	3.1
177.03325	11.6
179.04816	8.5
181.06038	4.0
185.03783	2.2
188.03738	5.2
188.07430	6.0
189.03285	100.0
196.04268	11.9
199.05316	2.8
199.06975	2.2
205.06487	8.5
206.08446	4.5
215.04858	45.6
217.06395	21.8
224.03758	4.8
231.04228	2.3
232.05037	2.4
233.05957	21.9
241.06444	3.2
257.09641	6.9
259.07507	1.9
261.67432	1.7
269.05920	3.7
273.09061	2.5
287.06949	15.9
291.10101	59.7
299.07199	2.2
308.09021	2.8
309.10968	2.3
315.01364	1.7
315.04956	1.9
345.07474	4.0
345.11115	4.1
362.10269	11.9
363.12256	4.1
420.14212	4.4
438.15393	16.1
460.76208	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	438.1543
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	3.9
56.05038	8.2
57.10053	1.9
58.99589	13.3
61.01139	3.9
67.05505	3.0
68.05012	2.1
69.03419	2.2
69.07057	2.3
69.77734	3.0
69.78144	5.5
70.02943	6.7
71.05000	2.8
72.04514	5.5
74.00676	10.0
74.02418	2.6
76.02233	19.2
76.03987	5.8
79.77187	1.5
80.05019	6.0
81.05793	1.9
82.06564	2.6
83.06099	6.5
84.04506	88.6
85.01133	32.3
85.02901	5.1
85.04012	3.6
86.00655	27.7
86.98538	3.4
86.99055	61.1
87.02707	2.9
88.02200	3.8
89.00603	4.6
95.04965	5.2
96.04504	3.3
97.01099	6.8
97.06535	12.5
98.00628	3.8
98.06081	2.1
98.20591	1.7
98.93465	1.5
99.05586	1.8
100.02180	4.4
102.03783	16.7
102.05550	8.4
108.04480	4.0
109.07597	3.5
112.02199	30.5
112.07601	1.7
114.00179	1.7
114.03762	11.2
114.05505	2.6
116.01678	22.4
126.03752	2.9
127.02161	6.3
129.06570	3.2
130.03270	15.4
130.04999	28.1
132.01144	2.2
132.83286	1.8
134.19960	1.6
134.21019	1.5
137.08325	3.7
140.01706	2.4
142.03226	20.5
143.02750	34.9
144.01175	5.2
145.02963	2.5
145.06088	4.2
148.17317	1.7
153.06563	2.8
154.06879	2.1
155.08167	4.3
156.06575	3.3
158.02676	6.2
162.02249	9.8
163.03879	6.0
168.04747	4.3
168.06526	1.8
169.04301	7.9
170.02660	2.3
170.06468	7.5
170.55612	1.5
171.02242	5.2
177.03278	8.1
179.04846	7.3
181.06168	3.7
184.06143	2.0
185.03740	1.7
188.03848	2.4
188.07428	4.3
189.03293	100.0
196.04256	8.6
199.07159	1.9
205.06410	8.2
206.08447	2.4
215.04858	48.9
217.06451	8.5
224.03773	4.3
231.04430	1.7
233.05899	18.8
245.06044	3.2
257.09610	4.5
269.05893	2.4
273.09119	2.5
287.06940	15.8
291.07071	2.8
291.10104	32.1
299.07062	2.3
309.11240	2.8
345.07495	4.1
345.11206	2.9
362.10043	10.1
363.12067	1.8
378.07397	1.7
420.14316	2.8
438.15485	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	438.1397
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02373	1.0
53.03950	2.8
55.01877	1.0
56.96581	0.6
57.03432	1.2
65.03933	1.7
68.99800	0.6
69.03434	8.5
70.06553	0.7
70.87354	0.5
71.05002	0.9
72.08157	0.7
73.02898	0.9
78.03456	19.7
80.05025	2.8
81.03422	18.0
83.04984	1.1
85.02909	10.0
86.09699	0.8
89.03972	0.5
93.03414	0.6
96.04504	2.5
97.02885	5.0
98.20699	0.9
99.04434	2.8
106.02919	69.6
109.02886	13.6
111.00743	0.7
111.04444	4.2
124.03956	100.0
126.03133	0.9
127.03920	7.2
139.03911	10.3
140.07156	0.7
141.05450	3.4
143.06978	0.7
145.02773	0.9
145.04918	0.5
156.04103	1.4
163.03944	1.0
166.04984	3.6
169.04961	3.3
170.05739	0.8
171.06516	7.5
177.05524	2.4
189.00974	0.5
195.06572	0.7
196.06024	0.9
208.06088	0.6
226.07091	5.7
232.06017	2.2
232.27855	0.7
250.04425	0.9
250.07115	30.6
261.07617	2.5
268.08173	30.8
279.08517	1.0
317.08569	0.6
402.11804	0.6
438.13342	1.4
439.12180	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	437.3417
Annotation	Alertenone
Peak:m/z	Relative Intensity
55.05515	5.7
55.54123	0.9
57.07060	2.1
67.05506	11.1
69.07069	8.5
71.04993	1.0
71.17139	1.6
79.05500	7.5
81.07058	24.4
83.04985	2.2
83.08618	4.6
85.02888	1.2
91.05489	8.3
91.33709	1.0
93.07050	14.2
95.04958	2.0
95.08614	27.6
97.06512	1.0
97.10178	1.6
98.95185	1.0
101.06036	0.8
103.05422	1.2
105.07035	20.0
107.08601	29.6
109.06504	2.9
109.10169	21.7
111.08090	1.1
117.07006	2.4
119.08590	24.2
121.10146	21.7
123.08073	3.0
123.11707	7.9
124.19540	0.8
125.09667	0.8
128.06213	1.0
129.07057	2.2
131.08582	12.6
133.10136	18.7
135.08072	10.6
135.11694	12.7
137.09612	1.6
137.13277	4.0
142.07762	2.1
143.08566	3.7
144.09334	1.5
145.10129	24.0
147.11697	13.8
149.09641	2.9
149.13283	7.6
151.07553	2.5
151.14809	1.2
157.10156	10.7
158.10924	1.2
158.36458	1.0
159.11710	25.9
161.09613	3.5
161.13263	11.8
163.11203	4.1
163.14885	5.6
165.12823	1.5
169.10153	1.5
171.11705	5.4
173.13266	13.1
175.11229	3.4
175.14870	9.2
177.12756	1.3
177.16393	2.7
183.11736	2.3
185.13228	5.6
187.14830	10.9
189.12839	2.4
189.16397	7.9
191.14279	2.0
191.18018	1.7
193.12251	1.2
194.71213	0.9
197.13347	2.6
199.14760	4.8
201.12747	1.0
201.16383	28.7
203.14313	6.9
203.17973	5.7
205.15921	3.9
211.14876	2.4
213.16356	5.6
215.14621	1.5
215.17952	24.1
216.18535	1.1
217.15926	2.9
217.19482	3.2
219.17471	1.9
221.15312	7.2
225.16389	0.9
227.18037	3.1
229.19495	2.4
231.17557	1.7
239.17966	1.5
241.19550	2.5
243.17390	1.3
243.21144	2.7
251.18279	1.0
253.19574	1.3
255.21112	2.7
257.22632	1.2
260.01315	1.0
261.18588	1.4
267.21127	2.5
269.22623	2.7
273.18594	1.8
281.22543	1.5
283.24182	3.2
285.18665	1.2
295.24197	2.0
299.20074	2.4
301.21774	1.2
313.21692	1.3
321.25720	1.5
335.27676	1.0
341.24777	1.4
369.96777	1.0
381.27905	1.4
391.33670	2.6
391.80765	0.9
401.31863	1.7
419.33160	10.2
437.34204	100.0
438.34915	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.3417
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	8.6
57.07079	9.3
58.70169	1.6
67.05502	17.2
69.07066	11.0
70.63882	4.5
71.08633	3.3
76.41509	1.4
77.48032	1.6
78.02779	1.6
79.05489	7.7
81.07059	25.0
83.08637	7.6
85.10183	3.5
89.06030	3.5
91.05473	8.3
93.07043	16.5
95.08610	50.9
97.10173	3.2
102.45840	1.7
105.07033	20.7
107.08602	29.7
109.10162	51.7
117.07007	3.0
119.08596	45.7
121.10155	26.2
123.11725	11.8
131.08566	13.2
133.08618	1.9
133.10126	41.7
135.11737	8.6
135.12590	1.7
137.13278	4.2
140.71671	1.6
141.16360	1.8
143.08556	4.4
145.10117	25.5
147.11691	19.7
149.13235	5.3
155.08556	6.1
157.10158	5.4
159.11717	22.8
161.09718	1.9
161.13243	12.8
163.14815	12.3
165.16368	2.3
169.10136	4.6
171.11739	7.4
173.13274	14.2
175.14822	19.1
177.16374	15.7
183.11670	3.8
185.13368	3.3
187.14799	11.6
189.16393	36.7
191.17908	8.8
197.13356	2.3
199.14822	5.4
201.16399	35.0
203.17960	33.3
205.19510	3.0
211.14793	2.8
213.16441	7.4
215.17963	17.8
217.19601	4.7
219.13814	1.6
221.15291	1.8
225.16405	10.5
227.17963	6.9
229.19534	5.2
231.17401	2.3
235.16786	1.9
239.17964	9.1
241.19376	3.8
243.21063	3.8
245.15477	2.4
247.16951	4.8
249.18417	2.1
253.19504	4.9
255.21089	3.5
259.17023	2.7
265.19720	1.7
267.21075	3.5
271.16791	3.3
273.18472	3.1
281.22568	2.5
283.24234	4.3
285.18463	7.5
295.24289	3.4
299.20062	5.5
310.85593	1.6
327.23251	2.3
329.24686	2.5
331.93503	2.1
341.24802	4.1
353.24731	1.7
391.33536	18.7
437.34186	100.0
438.34546	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	437.3413
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	9.0
57.07063	5.2
67.05503	17.5
69.06791	1.6
69.07073	15.7
70.01826	7.5
70.02174	1.7
74.56725	1.5
79.05494	9.8
81.07056	37.3
83.08605	6.8
91.05461	10.7
93.07051	21.1
94.42184	1.8
95.08607	56.9
97.10175	2.5
98.21475	2.1
105.07033	23.2
107.08592	32.7
109.10159	21.7
112.59099	1.8
117.07028	3.7
119.08582	25.2
121.10137	27.7
123.08041	2.5
123.11729	10.5
129.06996	2.9
131.08578	14.2
133.10129	17.8
135.07967	2.9
135.11685	18.4
137.13232	16.4
141.06915	1.7
142.07819	2.2
143.08568	7.5
145.10098	19.0
147.11699	15.4
149.13254	15.7
153.09052	3.0
155.08554	2.3
157.10133	9.3
158.07031	1.8
159.11731	20.6
161.13242	15.9
163.14830	11.1
169.10005	3.7
170.10797	2.1
171.11697	9.6
173.13251	10.8
175.14856	13.1
177.16399	6.0
179.14226	2.0
183.11691	6.3
185.13248	7.7
187.14783	10.5
189.16386	15.9
191.17949	5.4
197.13310	4.4
199.14847	6.2
201.16389	18.3
203.18011	8.9
206.55748	1.7
211.14844	7.6
213.16371	5.7
215.17946	19.3
217.19463	4.4
225.16386	4.2
227.17982	5.6
229.19524	8.4
239.17972	11.3
241.19421	8.4
247.17055	2.3
253.19516	10.2
255.21065	10.0
261.18491	5.7
267.21152	6.1
269.22733	3.0
271.17007	1.9
273.18533	2.4
283.20645	1.9
285.18491	7.8
287.20071	11.1
295.24173	6.9
299.19913	9.7
301.21533	10.2
313.21490	2.2
315.23206	2.0
321.25851	2.3
335.27139	2.4
338.26120	1.8
353.24634	2.6
367.26352	2.4
373.25900	2.1
391.33582	26.7
394.28558	5.9
395.29507	3.5
419.33105	6.8
423.92529	2.3
437.34146	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	437.3419
Annotation	Unknow
Peak:m/z	Relative Intensity
50.61152	2.0
53.03951	2.4
55.01883	3.5
55.05516	15.5
56.96566	4.1
57.07080	4.5
57.40737	1.8
59.05005	2.8
60.45093	1.8
65.03968	3.2
67.05510	51.0
69.03431	4.5
69.07066	20.3
69.77980	9.5
71.05006	3.1
79.05497	29.2
81.03429	5.5
81.07063	57.9
81.07526	3.9
83.04994	4.4
83.08625	12.2
91.05485	27.1
91.06007	2.1
93.07043	45.6
94.07423	2.7
95.04995	7.4
95.08614	63.1
96.08971	2.1
97.06548	9.9
97.10186	5.5
98.20789	2.2
103.05476	1.9
105.07040	48.5
107.04985	4.0
107.08597	61.8
107.09293	3.4
108.08929	1.9
109.06506	4.0
109.10161	58.4
111.08123	7.9
117.06997	9.1
119.08588	62.4
120.08990	4.0
121.06544	6.0
121.10154	41.7
123.08108	7.0
123.11698	11.6
125.09653	5.4
129.07034	3.2
130.07814	3.1
130.58221	1.9
131.08568	25.6
131.09395	2.4
133.10138	37.3
133.11098	2.6
135.07198	2.0
135.08075	10.4
135.11676	25.0
137.09671	4.8
137.13277	3.9
142.07828	4.6
143.08508	11.7
144.09364	4.6
145.10132	44.6
146.10497	3.5
147.08093	4.7
147.11710	31.1
149.09674	6.3
149.13271	11.2
153.12854	2.6
155.08614	4.9
156.09415	5.9
157.10164	18.2
158.10910	3.5
159.11703	53.3
161.09615	10.7
161.13280	27.7
163.03966	3.3
163.11194	19.4
163.14812	10.7
169.10265	5.6
170.10854	2.9
171.11739	15.3
173.09648	2.4
173.11826	7.7
173.13356	34.3
175.11194	9.6
175.14888	12.5
177.12817	6.5
177.16438	3.9
183.11768	5.2
185.13263	10.9
187.11421	2.6
187.14833	17.5
189.12750	11.6
189.16385	11.2
191.10803	2.6
191.14317	36.6
195.11839	3.7
197.13362	6.0
199.14807	13.6
200.15283	2.4
201.12860	5.8
201.16417	30.8
202.16776	2.5
203.14397	10.7
203.17955	19.5
205.15977	9.1
207.06587	3.7
208.06989	2.5
209.13405	3.1
211.14896	5.3
213.16388	11.5
215.14438	3.8
215.17964	24.1
217.16022	7.6
217.19614	2.9
219.17609	2.4
221.15602	2.8
223.14842	2.8
225.16501	4.0
227.12689	9.4
227.18076	3.9
229.07704	2.9
229.19644	4.5
231.17590	6.1
233.19244	1.9
237.16333	2.1
239.18112	4.2
241.19730	2.7
243.21332	2.4
253.19556	2.7
267.21060	3.8
269.22687	2.9
293.22992	2.1
295.24097	2.7
337.25269	3.6
379.30331	3.7
391.33249	2.7
401.32285	3.9
407.33310	8.4
419.33105	25.8
419.37607	2.0
437.19525	19.0
437.25397	18.7
437.34366	100.0
438.34665	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	437.3418
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	2.0
55.05515	8.9
57.03420	1.1
57.07074	3.8
65.03951	1.9
65.97973	1.1
67.05508	25.2
69.07076	13.8
71.08640	1.3
71.52022	1.5
79.05496	13.9
81.03441	2.1
81.07063	42.9
83.05002	1.9
83.08623	6.1
91.05481	9.8
91.19220	1.1
93.07053	22.0
95.04989	2.3
95.08614	59.1
97.06561	1.8
97.10185	3.1
104.90182	1.2
105.07034	21.7
107.07883	1.9
107.08607	38.1
109.06514	1.3
109.10167	33.4
110.10546	1.2
111.08107	1.8
117.07021	3.6
119.08588	33.3
121.10146	23.3
123.08104	1.3
123.11713	11.4
124.33882	1.3
129.07047	2.6
131.08580	13.4
133.10143	21.5
135.08035	2.1
135.11694	12.8
137.13271	8.1
143.08585	6.3
144.09367	1.3
145.10135	33.8
147.11699	14.1
149.09644	1.4
149.13272	17.1
151.14813	8.0
153.09102	1.9
155.08594	1.9
157.10139	7.2
159.11717	19.2
161.13252	10.2
163.11206	4.2
163.14859	7.0
169.10149	4.0
170.10785	1.4
171.11688	10.3
173.09715	1.6
173.11867	1.5
173.13257	12.4
175.14851	16.2
177.09198	1.7
177.16374	8.1
179.17911	1.3
183.11777	4.7
185.13307	5.3
187.14836	11.0
189.16379	16.8
191.17963	7.3
193.12167	1.3
193.16028	1.3
197.13255	2.7
199.14873	5.4
201.16382	26.9
203.17992	14.4
211.14822	2.5
213.16440	4.7
215.17941	9.0
217.12247	2.4
217.15933	1.9
217.19604	4.9
219.13890	2.2
221.15321	1.5
225.16537	4.2
227.12901	3.4
227.17889	3.1
229.15909	2.1
229.19591	2.6
233.15318	1.8
239.18008	6.5
241.19511	12.2
243.21150	5.1
245.15479	2.3
247.16933	10.6
249.18623	1.4
253.19620	3.9
255.21138	2.9
259.17023	3.0
259.20642	2.7
261.18594	2.3
267.21072	4.4
269.22653	2.8
273.18631	2.8
279.21426	1.6
281.22589	1.6
285.18573	6.0
287.20099	4.0
295.24170	4.0
299.20102	5.8
301.21698	2.2
313.21735	2.4
315.23410	2.1
321.25885	1.6
323.49045	1.3
347.15652	1.5
349.28900	1.4
353.24838	1.8
391.17886	5.7
391.33594	16.1
419.33121	5.3
437.12180	1.6
437.25720	7.2
437.34241	100.0
438.34351	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	437.3416
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	2.1
53.93345	1.2
55.05516	10.2
57.07079	7.6
58.96923	1.4
59.04969	1.2
64.55323	1.3
65.03940	1.4
65.47594	1.1
67.05176	1.9
67.05510	21.8
69.07073	18.3
69.16451	13.4
71.08641	1.6
79.05479	10.7
81.06591	2.9
81.07059	52.2
83.08620	7.8
85.10190	1.6
85.65336	1.3
85.96429	1.3
88.17450	1.3
89.06056	2.3
91.05478	10.9
93.06501	1.8
93.07050	22.0
95.08613	88.4
97.10162	4.9
98.21548	2.9
105.07036	26.6
107.08598	34.0
109.10159	34.7
112.35787	1.2
117.07012	5.4
119.08587	45.0
120.15134	1.4
121.10146	27.0
122.61437	1.5
123.11698	15.3
129.06967	3.4
131.08585	15.5
133.10135	25.3
135.08064	1.9
135.11703	14.5
137.13261	11.6
143.08588	8.2
144.09340	1.9
145.10121	37.7
147.11707	21.7
149.09587	1.3
149.13263	12.3
151.14844	9.4
155.08554	3.3
156.09390	1.9
157.10121	8.9
159.11702	21.1
161.13272	13.5
163.14827	9.6
169.10152	5.2
171.11676	16.9
173.13272	18.3
175.14832	23.6
177.09134	1.8
177.16399	9.8
183.11739	6.0
185.13223	9.2
187.14853	11.2
189.16388	25.5
191.17912	13.9
193.16054	1.8
197.13315	5.8
198.14162	1.4
199.14848	8.7
201.16400	32.7
203.17960	19.3
205.19542	1.6
211.14883	4.4
213.16386	11.0
215.17957	8.9
217.12306	4.1
217.19501	7.1
221.15337	2.6
225.16483	3.2
227.17993	5.1
229.19576	5.3
233.15161	1.6
235.16991	1.4
239.17847	9.4
241.19516	16.0
243.21149	6.1
245.15395	2.5
247.17024	8.5
251.18051	1.4
253.19583	5.8
255.21028	4.2
257.18900	1.5
259.16946	5.3
259.20624	5.2
267.21057	5.3
271.16910	1.9
273.18631	2.3
279.21030	2.1
285.18546	8.5
287.20120	5.1
295.24191	3.6
299.20114	3.7
301.21664	1.4
307.24176	2.8
313.21652	4.3
315.23132	1.4
321.25729	1.9
327.23077	1.8
335.27371	3.8
349.29260	1.8
353.24698	1.7
360.39297	1.4
377.27866	1.6
391.33530	19.2
409.25696	1.4
419.33203	2.0
437.34186	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	437.305
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	4.9
55.01839	2.3
55.05515	18.8
56.96550	3.7
57.03429	4.0
57.07076	3.7
61.02908	3.3
64.89993	2.2
65.03934	2.8
67.05503	57.9
68.05801	2.3
69.03429	3.5
69.07072	21.1
69.35329	8.9
69.35770	8.3
71.04982	4.7
79.05081	2.8
79.05492	35.0
80.34342	2.6
81.03391	9.0
81.07057	57.0
83.04988	10.5
83.08607	12.3
84.64325	2.0
85.02885	5.7
85.06535	3.5
85.20889	1.9
91.04975	3.0
91.05481	37.3
92.05801	2.3
93.07045	47.2
95.04939	9.5
95.07999	2.6
95.08607	53.0
97.02855	3.9
97.06490	6.3
97.10134	5.2
99.08051	6.9
105.07036	64.0
107.04911	4.2
107.08598	51.3
109.06504	3.8
109.09476	2.9
109.10155	41.4
111.08040	5.0
115.05444	4.3
117.07010	15.2
119.08585	79.4
121.06485	6.3
121.10153	31.8
123.08040	3.8
123.11677	7.3
124.77480	2.0
124.99892	2.2
125.09589	4.5
127.03922	3.1
128.06177	6.2
129.06979	9.2
129.72302	1.8
130.07791	2.8
130.25514	2.2
131.08574	47.2
133.10138	35.3
135.08012	3.8
135.11688	18.1
141.06851	2.8
142.07729	7.3
143.07523	2.4
143.08554	28.3
144.09273	3.2
145.10126	76.0
147.08026	6.9
147.11710	28.2
149.02338	4.1
149.05946	2.4
149.09552	4.9
149.13220	7.8
151.07497	2.7
153.09097	2.5
153.12698	3.2
155.08469	9.1
156.09302	7.1
157.08965	2.5
157.10132	32.2
158.10930	5.0
159.08040	3.2
159.10495	2.8
159.11716	44.2
161.09584	8.2
161.13280	24.2
163.03865	2.1
163.11139	7.8
163.14833	10.5
165.06909	2.3
168.09288	2.5
169.10117	10.8
170.10870	7.4
171.11708	24.2
172.12314	2.3
173.02347	2.8
173.09674	3.4
173.11790	4.9
173.13255	43.7
174.13506	2.2
175.11140	3.8
175.14845	26.1
177.12781	3.9
177.16359	6.0
179.14304	2.3
181.09981	3.6
183.11697	19.9
184.12424	3.8
185.09460	2.3
185.13252	40.5
187.11189	2.9
187.14819	61.3
189.11153	3.9
189.12703	9.6
189.16393	14.7
191.10591	3.7
191.14278	6.5
193.04936	4.2
193.10075	4.2
193.12206	5.9
195.11621	6.9
195.13591	2.8
197.13237	13.7
199.13245	2.8
199.14838	36.8
201.12697	4.9
201.16393	32.1
203.14252	4.6
203.17928	5.9
205.15862	3.3
207.11662	3.7
207.13773	3.5
209.11687	4.7
209.13319	5.2
211.14795	9.5
213.05508	3.0
213.16319	16.4
215.14258	8.5
215.17868	7.6
217.12218	3.0
217.15770	7.9
219.13712	3.7
219.17233	2.8
221.13234	2.9
223.14722	6.3
225.16277	6.6
227.12729	8.0
227.17789	7.6
229.07501	5.2
229.19420	5.7
231.13597	2.5
231.17526	2.6
233.15311	5.0
239.17859	8.0
241.19490	3.1
243.17177	3.1
245.15233	5.3
247.16821	5.4
251.17815	5.6
253.19443	5.9
267.09055	3.1
267.21011	3.5
273.18597	4.1
279.21039	3.6
299.19998	5.2
373.28717	9.6
391.29770	28.4
391.33588	2.9
401.28183	4.0
419.22040	3.9
419.29150	23.4
437.24869	17.0
437.30222	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	437.2537
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	2.3
55.01871	5.0
55.05515	17.5
56.96591	1.0
57.03441	4.2
57.07082	1.6
59.05013	5.5
60.44070	0.8
61.02906	1.0
65.03941	3.4
67.05507	100.0
68.05832	1.0
69.03448	1.7
69.07071	9.1
70.10010	3.3
71.04999	5.0
73.02907	1.4
78.24705	0.7
79.05496	24.5
80.21066	0.8
81.03426	5.1
81.07059	31.2
83.01343	1.7
83.04991	5.8
83.08617	12.0
85.02905	1.6
85.06563	3.3
91.05481	15.0
93.07047	37.6
95.04976	7.0
95.08614	35.5
95.09256	0.9
97.02895	3.9
97.06529	4.4
97.10210	1.3
98.21453	0.8
99.04462	4.1
99.08115	0.9
103.05517	1.2
105.07041	12.1
107.04957	8.8
107.08600	28.6
109.06527	2.7
109.10162	63.9
111.04433	2.2
111.08110	3.5
117.07028	9.6
119.08585	16.9
121.06534	3.7
121.10154	13.6
123.08083	2.0
123.11663	1.1
125.06007	2.4
125.09664	1.8
127.03982	0.9
130.07809	2.7
131.08562	4.2
133.10153	6.3
135.08080	2.6
135.11696	36.0
137.09654	2.5
141.07013	0.9
143.08586	2.4
145.06581	1.0
145.10133	26.4
147.11760	2.6
149.09703	1.2
149.13248	1.1
153.12753	4.8
155.10710	3.4
157.10164	2.6
159.11723	2.9
161.13242	2.1
163.11185	44.6
169.10143	1.1
171.11803	1.3
173.09630	1.3
173.10104	1.0
173.11772	15.3
173.13313	3.4
175.14890	2.4
181.12230	11.0
185.13275	1.4
187.14838	2.3
189.16385	2.2
191.10680	1.6
199.14859	1.1
201.16385	2.9
209.11650	4.9
211.13316	1.9
213.16319	0.8
215.17982	1.5
217.16093	0.9
227.12791	88.8
228.13139	1.4
237.16206	0.9
265.14520	1.2
271.17099	0.9
299.19998	0.9
309.91608	0.8
391.33948	1.8
419.29370	1.6
437.25366	83.2
438.25797	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.2536
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.2
55.01865	6.1
55.05511	16.4
56.96569	1.9
57.03428	3.6
57.07067	1.9
59.04996	3.7
61.02884	1.1
65.03931	2.7
67.05506	100.0
69.03423	2.5
69.07067	9.7
70.82539	1.0
71.04990	4.4
73.02907	0.9
79.05493	23.8
81.03408	5.2
81.06587	1.6
81.07059	30.6
83.04982	8.6
83.08617	13.5
85.02914	2.4
85.06532	3.6
87.04461	0.9
91.05484	17.0
93.07043	38.4
95.04990	6.6
95.08609	39.0
97.02888	5.2
97.06526	3.5
97.10161	2.1
97.76567	1.0
98.97596	1.1
99.04456	3.4
99.08106	1.5
105.07030	12.2
107.04957	8.0
107.08597	33.1
109.06524	3.2
109.10160	70.3
111.04449	4.3
111.08095	5.4
113.06026	0.9
117.07026	9.3
119.08582	20.6
121.06503	4.8
121.10149	14.8
123.08056	2.4
123.11712	1.6
125.05992	2.2
129.06984	1.2
130.07787	1.9
131.08582	3.5
132.05330	0.9
133.10127	5.2
135.08054	2.6
135.11693	37.7
137.09604	3.6
139.07483	1.4
143.08556	2.8
145.10118	23.9
147.08072	1.2
147.11679	3.9
149.02405	1.4
149.09647	1.5
149.13223	1.7
153.12753	9.5
155.08534	1.5
155.10669	3.8
157.10156	2.0
158.85902	1.2
159.11665	4.5
161.13287	2.5
163.11191	45.0
165.11200	0.9
171.11647	1.9
173.09532	2.9
173.11746	14.9
173.13260	5.0
175.14818	2.1
177.12692	1.0
177.16467	1.5
179.07062	1.0
181.12234	13.5
183.11691	1.5
185.13339	1.1
187.14763	2.3
189.16440	1.4
191.10680	1.8
193.05008	1.9
199.14868	2.9
201.16418	1.9
209.11652	5.1
211.13235	1.7
211.14972	1.6
215.17935	2.0
227.12787	90.1
228.13226	1.4
229.14354	2.1
239.17967	1.5
245.30121	0.9
247.16893	1.5
252.09578	1.1
265.14383	0.9
266.64508	0.9
273.09662	1.0
273.66824	0.9
285.18466	1.0
391.33994	1.3
400.83752	1.0
417.69458	1.1
419.24240	2.2
437.25363	80.7
437.30197	3.1
437.35095	4.6
438.27686	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.2534
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	3.4
55.01867	3.5
55.05509	20.8
55.73162	1.9
57.03433	4.3
57.07058	2.9
59.04972	2.6
59.49701	1.9
61.02947	1.9
61.23357	2.2
63.35728	2.2
65.03925	2.3
67.05508	100.0
69.03419	2.7
69.07062	17.0
71.04980	4.5
79.05491	30.5
81.03408	6.0
81.07057	48.0
83.04980	7.3
83.08618	14.8
85.06529	5.1
91.05486	33.9
93.07043	50.7
95.04961	5.6
95.08607	61.5
97.02884	5.5
97.06509	5.9
97.10166	3.3
99.04446	3.7
103.05434	2.7
105.07026	30.5
107.04936	7.0
107.08597	62.7
109.06509	5.8
109.10157	89.3
111.04427	3.9
111.08073	6.0
117.07018	13.3
119.08575	37.5
121.06464	4.5
121.10148	32.7
123.04398	2.8
123.08108	3.8
123.11697	8.7
125.09607	4.8
128.06223	2.8
129.06992	5.2
131.08543	20.7
133.10150	27.3
135.08041	7.5
135.11700	41.1
137.09570	5.7
137.13257	3.4
142.07751	4.5
143.08566	9.0
145.10114	36.4
147.11674	18.5
149.09619	6.4
149.13246	8.1
155.08546	4.4
155.10602	4.5
156.09367	2.8
157.10144	16.2
159.11710	21.5
161.09608	3.3
161.13278	12.9
163.03871	3.8
163.11194	43.7
163.14931	5.0
165.12828	2.3
169.10109	5.2
171.11644	10.1
173.09714	2.5
173.11703	13.0
173.13261	12.9
175.11130	4.2
175.14848	11.4
177.12753	2.5
177.16368	3.3
179.14352	2.3
181.12321	11.1
183.11600	4.4
184.07370	3.8
185.13274	4.5
187.14777	10.1
189.11105	3.0
189.12711	2.5
189.16437	4.8
191.10713	4.3
191.14346	3.6
191.17896	2.0
193.12192	2.6
197.13219	2.4
199.14807	7.4
201.16339	9.8
203.14285	3.9
203.17975	5.3
205.15829	8.4
209.11684	5.1
210.18460	3.6
211.14951	2.7
213.16411	9.9
215.17979	4.8
217.15941	5.4
219.17502	4.1
227.12781	80.5
227.17880	4.8
229.19603	2.6
231.17407	5.0
239.17915	3.9
253.19543	3.1
255.21097	2.7
257.18951	3.1
261.18887	2.9
268.80014	2.8
285.21927	2.9
295.24210	2.6
349.16464	2.4
379.29919	2.2
391.33481	6.1
419.22281	3.7
419.32959	17.3
437.25186	78.5
437.34076	66.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.108
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03421	1.2
61.02888	0.8
69.03393	1.3
69.24047	1.3
69.24455	3.5
71.66093	0.5
72.08106	1.6
72.38013	0.7
73.02869	0.7
81.03373	1.3
85.02914	4.0
85.41129	0.6
86.03088	0.7
91.05434	1.5
93.47388	0.5
95.04941	0.7
95.08527	0.6
97.02856	1.0
98.21523	1.1
98.97546	0.8
103.03896	0.8
105.07027	1.0
106.02841	0.6
106.74425	0.5
109.02829	0.8
117.03313	1.2
117.04190	0.5
120.08006	0.6
121.02822	0.7
125.36830	0.6
129.06989	0.5
135.04324	0.7
136.03897	0.9
139.03845	0.9
145.02777	2.4
151.03848	1.6
152.04256	1.1
154.04926	0.9
155.05112	0.7
163.03935	3.2
164.07080	0.7
167.03365	2.6
177.05502	3.4
178.08801	0.6
183.04227	0.7
217.49936	0.6
228.04079	1.7
231.02692	0.7
233.04486	1.6
242.05829	1.1
243.06549	1.9
244.03659	2.1
245.04457	1.8
246.05241	0.8
256.03677	7.1
257.04443	0.7
259.02414	2.3
260.03235	1.4
266.05673	0.7
267.06674	0.8
268.03827	0.6
270.05243	4.5
271.06033	11.9
272.00244	1.0
272.03177	19.4
273.04019	2.8
274.04761	4.2
275.05508	6.2
277.03439	1.4
281.08286	0.7
282.05246	1.0
283.05795	0.8
284.03140	3.9
284.06424	1.1
285.04269	1.2
285.07578	6.2
287.05511	100.0
288.06140	3.4
294.05298	1.8
296.03113	0.8
298.01559	1.1
298.04758	8.9
299.05560	10.8
299.09012	1.9
301.03543	0.9
301.07071	1.6
302.04379	3.1
309.07614	3.2
310.04892	1.3
311.05469	2.8
312.06284	2.9
313.03500	3.1
313.06998	23.3
317.06570	58.0
322.04739	1.5
325.07037	1.7
327.08621	8.6
337.07104	3.8
338.04077	1.3
339.04752	0.8
341.06552	38.4
350.04276	2.0
353.06549	17.4
355.08170	2.1
365.06573	11.1
368.05350	0.7
371.07639	18.0
372.21774	2.2
373.21982	9.9
383.07617	19.0
401.08698	22.6
401.21512	1.9
418.22427	2.7
419.09698	10.6
419.22610	14.8
437.14291	74.9
460.12598	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.1082
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	1.3
55.01863	1.2
57.03437	1.2
58.37489	0.8
61.02922	0.7
66.17843	0.8
67.05499	1.0
69.03422	1.1
69.77081	1.2
69.77496	2.8
70.06604	1.0
72.08144	0.8
76.48817	0.8
77.71159	0.7
81.07054	0.7
85.02923	3.5
91.03999	0.7
91.05456	1.3
95.55807	0.7
97.02885	2.2
98.97557	0.9
104.49055	0.8
105.07042	1.0
106.02900	1.2
109.02889	0.8
111.04398	1.0
117.03297	0.9
123.04437	1.2
124.03944	3.1
125.04269	1.2
125.06043	0.8
134.03496	0.7
139.03899	1.1
145.02863	2.5
145.10132	0.9
151.03917	12.1
151.05074	0.8
152.04210	6.0
161.05923	1.0
163.03915	2.1
167.03491	1.6
171.13695	1.0
177.05476	3.9
180.61765	0.8
201.05705	0.9
206.09099	0.8
215.99521	0.9
228.04282	2.0
229.04782	0.8
231.03085	0.9
242.05602	1.0
244.03635	2.1
245.04398	1.8
246.05275	0.8
253.04808	0.9
254.05632	1.0
256.03653	6.6
257.04709	1.0
258.05112	0.7
259.02432	1.4
267.02866	0.8
268.03638	0.9
269.04434	0.9
270.02713	0.7
270.05151	4.9
271.06015	13.8
272.03146	20.4
273.03879	1.5
274.04742	5.5
275.05444	6.0
277.03381	1.3
283.05887	1.1
284.03073	3.1
284.06512	1.7
285.04279	1.3
285.07571	5.9
287.05505	100.0
288.06168	7.0
294.05203	2.5
295.05878	1.0
298.04703	7.2
299.05542	12.4
299.08841	1.3
301.03668	1.1
301.07135	2.9
302.04276	2.0
309.07587	3.8
310.04608	0.8
311.05399	2.4
312.06296	3.2
313.03378	3.5
313.06995	20.3
316.13824	1.0
317.06558	68.2
318.06668	1.1
322.04672	1.2
325.07031	2.3
327.05035	1.2
327.08615	10.3
329.06689	1.3
337.06989	3.1
341.06567	38.8
350.04355	1.6
353.06577	15.3
355.08194	2.9
365.06564	10.1
371.07602	17.0
372.08218	0.9
383.07614	19.2
384.08060	0.9
401.08661	23.4
419.09747	16.2
437.10287	14.1
437.22543	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	437.093
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	0.5
53.38913	0.5
53.59485	0.5
61.63858	0.5
67.05486	0.6
71.52320	0.8
79.05486	1.4
79.99155	0.4
83.04961	0.7
88.45621	0.4
89.03411	0.7
89.03923	9.7
90.32568	0.4
95.04948	1.1
101.00898	1.3
107.04322	0.5
107.04940	3.1
111.04450	0.6
117.03390	13.4
117.89859	0.5
119.01936	4.0
120.01996	0.5
121.01688	0.7
121.02855	1.5
127.02394	0.9
131.01913	0.5
135.04428	24.9
143.01921	0.9
145.02818	17.0
157.03473	0.8
161.02954	1.0
163.03915	100.0
164.04237	1.4
167.98109	0.4
169.03488	2.3
170.66240	0.5
171.05037	0.6
175.04604	0.5
185.00967	1.2
185.02975	1.9
187.04567	2.5
203.01906	3.6
203.03735	0.7
215.04187	0.8
221.02974	40.6
222.03200	0.9
229.05588	1.4
239.04065	5.1
244.04546	0.6
245.02913	1.5
247.04564	1.1
247.06776	0.8
257.05060	1.8
259.04428	0.8
261.06271	0.6
263.04077	2.6
271.04510	15.6
272.95084	0.5
273.06055	1.9
275.06161	5.6
287.04028	2.0
289.05603	5.5
293.07251	0.7
297.06149	1.4
299.04028	5.8
307.06763	0.6
313.05530	2.0
315.03683	1.4
315.07108	0.7
317.05087	1.7
323.03958	1.8
331.06671	5.1
341.04919	2.2
349.07681	3.8
359.06223	2.5
377.07199	47.7
378.07480	1.0
395.08304	5.6
401.07175	0.7
418.09671	0.9
419.08481	1.1
437.09302	13.8
437.14755	1.4
455.10217	1.5
459.91907	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.0933
Annotation	Unknow
Peak:m/z	Relative Intensity
53.69993	0.4
61.87494	0.4
65.23026	0.4
70.96164	0.7
79.05482	1.6
81.61588	0.4
84.31577	0.4
89.03419	0.6
89.03926	9.6
95.04958	1.1
99.01026	0.4
101.00887	1.5
107.04959	3.2
111.04493	0.5
112.25936	0.4
117.03390	15.1
119.01933	3.4
121.02866	1.3
127.02427	0.5
131.01920	0.4
135.04427	24.2
137.02986	0.4
138.05449	0.4
142.86406	0.4
143.01941	0.6
145.02814	18.2
157.03461	0.6
163.03911	100.0
164.04256	1.0
169.03468	2.9
170.97528	0.4
171.05032	0.7
185.01003	1.5
185.02971	1.6
187.04489	2.2
193.03505	0.8
195.05074	0.9
196.87354	0.4
197.02980	1.1
203.01907	3.9
203.03654	0.6
211.04504	1.1
215.04080	1.0
221.02966	43.9
222.03050	0.7
224.11644	0.4
229.05594	1.6
239.04031	4.2
243.05089	0.5
244.04514	0.4
245.02971	1.7
247.04543	1.4
257.05090	1.8
257.26993	0.4
259.04626	0.8
263.03964	2.7
271.04526	15.5
273.06052	2.4
275.06180	4.7
281.05054	0.4
287.03976	1.9
287.07416	0.5
289.05615	5.4
293.07028	0.6
295.04614	1.6
297.06116	1.8
299.03949	5.8
301.05545	0.5
307.06589	0.5
313.05643	2.3
315.03674	0.7
315.07162	1.0
317.05112	1.8
323.04108	1.7
329.05060	0.4
331.06653	5.4
333.04495	0.6
334.54022	0.4
341.05151	1.4
349.07700	3.4
359.06168	2.6
377.07190	47.0
378.07440	1.2
395.08264	5.4
401.07529	0.5
418.09988	0.7
419.08389	1.3
437.09341	13.5
437.15344	1.0
455.10464	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	436.2182
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52398	2.2
53.03937	8.9
54.66070	3.0
55.01866	7.8
55.05506	6.4
57.03430	5.7
61.02924	6.0
67.05495	5.1
69.03433	20.0
69.07053	5.3
70.06597	3.9
70.77047	7.7
71.04976	4.4
73.02901	6.1
79.05495	16.6
81.03417	16.3
81.07066	12.3
83.05012	3.6
85.02908	58.4
85.78558	2.7
85.86897	2.4
87.00836	27.8
91.03940	3.4
91.05495	23.7
93.07049	82.2
93.80796	2.9
94.07391	2.4
95.05004	3.1
95.08595	9.1
97.02888	27.8
97.06569	3.3
98.20810	2.6
98.97594	3.1
99.04464	8.4
105.01854	31.8
105.07020	9.6
107.08601	100.0
109.02891	18.3
109.06473	5.0
109.10143	4.3
121.10159	2.7
123.04411	5.3
127.03915	37.9
133.81261	2.4
135.10698	4.4
135.11702	84.1
137.13223	6.3
139.03897	4.0
145.04984	25.1
147.04541	2.6
147.11641	3.5
153.12790	11.9
159.02908	13.3
161.89209	2.7
163.03905	7.0
167.07059	2.7
171.13852	3.0
179.82785	2.7
231.05028	8.3
261.14722	2.9
288.19589	4.0
318.10574	3.2
418.15991	3.9
418.21942	3.2
436.23273	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	436.2182
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	10.3
55.05499	5.7
57.03414	6.6
61.02918	7.6
67.05507	7.2
69.03429	28.8
69.07058	3.5
69.95691	15.2
70.06586	3.1
73.02911	7.2
75.92039	3.7
79.05512	17.3
81.03423	23.2
81.07057	9.5
84.04491	4.9
85.02907	73.6
87.00845	32.6
91.05481	25.2
93.06487	5.5
93.07049	88.3
95.04973	3.8
95.08596	22.0
97.02895	40.8
98.20789	3.9
99.04440	11.2
101.15577	3.4
105.01188	6.8
105.01869	70.1
105.07006	10.7
107.08604	100.0
109.02868	14.2
109.06519	4.4
123.04389	3.7
127.03926	56.2
135.11705	53.3
145.04968	48.3
147.03015	3.4
153.12733	8.2
159.02881	16.5
163.03941	7.0
171.23993	3.6
176.14886	3.7
201.09082	7.1
202.09454	10.1
217.31438	3.3
225.09157	4.6
227.11754	4.4
231.05040	13.9
244.10646	4.2
249.05989	9.1
255.11156	3.8
256.80585	3.5
265.18979	3.1
315.13309	8.0
318.51514	4.0
436.23010	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	436.2182
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49717	1.6
50.50278	1.8
51.34951	1.7
53.03939	7.7
55.01862	4.9
55.05502	6.3
57.03422	3.9
61.02919	4.7
62.16739	1.5
65.03937	1.8
66.94576	1.9
67.05507	10.8
69.03434	21.5
69.07058	6.3
69.52826	12.3
70.06578	2.8
71.04972	3.7
73.02906	4.2
79.05495	13.4
81.03423	14.6
81.07059	15.7
83.04966	2.3
85.02908	63.0
87.00838	28.5
87.04472	2.0
91.05492	24.3
92.69104	1.7
93.07047	87.0
95.04944	4.6
95.08069	3.1
95.08614	36.2
97.02310	1.8
97.02900	27.5
97.06516	3.7
98.21459	3.6
99.04440	5.9
105.01213	3.4
105.01875	48.6
105.07018	11.0
107.08600	100.0
109.02888	20.6
109.06479	5.8
109.10155	6.4
111.04533	2.1
115.00581	1.6
119.08562	7.4
121.10093	5.1
123.04415	5.6
123.11657	8.8
127.03924	46.2
129.01848	3.0
133.10146	4.2
135.11691	59.3
137.13225	2.2
137.58887	1.6
145.04982	27.0
145.10164	2.5
147.11711	8.0
153.12723	10.2
159.02898	8.0
161.13223	2.0
163.03897	1.7
163.05922	1.7
170.15395	2.7
177.12825	2.3
186.76218	1.6
189.03978	2.5
203.17978	14.3
221.18990	10.8
225.12704	2.2
231.05025	13.5
243.13982	2.1
244.10376	2.1
249.06027	8.0
261.14905	2.0
281.21783	1.7
284.09656	3.6
326.07559	2.1
383.16788	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	436.2181
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	0.7
55.05506	1.5
57.09446	0.7
59.05012	1.7
67.05523	0.8
69.03419	1.9
69.07062	1.3
71.04999	14.0
71.43902	1.7
73.06548	2.9
79.05505	3.6
81.03417	1.5
81.07063	18.1
85.02905	4.7
87.00828	2.4
91.05484	1.2
91.40010	0.7
93.07052	11.8
94.67033	0.7
95.08610	2.4
97.02894	1.7
97.06529	1.2
105.01866	2.7
107.08607	9.0
109.10172	2.0
127.03910	2.3
135.11700	20.9
145.04991	1.0
153.12753	100.0
258.95804	0.8
452.17636	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	436.1601
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02382	2.0
52.92545	0.7
53.03939	3.3
53.28978	0.6
55.01867	1.3
57.03445	1.5
67.05515	1.0
69.03428	10.6
70.06586	0.9
71.04993	2.2
71.53283	1.0
73.02934	1.2
78.03458	20.0
79.05522	0.9
80.05020	2.0
81.02985	1.3
81.03421	15.7
85.02908	10.7
89.98630	0.7
90.63581	0.7
91.05484	11.5
93.07047	1.0
95.04977	1.8
96.04503	3.0
97.02894	5.5
97.06545	0.7
99.04462	3.1
106.02916	73.1
107.03263	0.7
109.02882	11.2
119.04944	8.5
119.08651	0.7
121.06497	1.1
123.04408	1.3
124.03956	100.0
127.03928	8.3
136.07568	3.4
137.05968	1.6
138.09152	2.3
139.03902	1.2
145.04939	1.5
147.04424	0.7
151.07539	26.5
152.07089	2.3
163.03873	0.8
164.07085	7.5
166.05054	1.8
168.07390	0.9
175.07558	0.9
205.08849	0.8
226.07185	1.0
232.06096	2.9
233.08511	0.7
234.08423	1.0
250.07120	32.9
255.94893	0.8
268.08160	36.4
275.28848	0.7
289.15643	1.5
332.50171	0.8
418.15613	1.8
436.16013	35.9
437.16199	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	436.1454
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	7.3
55.01877	9.9
57.03427	6.4
57.03676	1.5
57.76376	1.5
61.02919	6.5
65.03943	3.6
68.99786	3.8
69.03438	29.8
69.31512	1.6
69.55996	5.8
69.56396	3.9
70.06588	1.6
71.04981	5.8
71.35111	1.8
73.02916	7.5
81.03426	28.7
83.04982	2.2
84.04506	1.9
84.17130	1.5
85.02913	100.0
87.00836	32.5
88.57327	1.7
89.06426	1.7
91.04002	2.2
93.03438	2.2
97.02892	33.6
99.04449	12.7
103.03960	2.2
105.01877	26.0
107.04973	12.0
108.04494	8.3
109.02887	27.9
111.04436	10.0
113.07111	2.9
115.03952	1.8
117.01841	4.3
123.04446	2.5
125.06057	1.7
126.05519	3.5
127.03932	57.9
129.01826	4.5
129.06595	3.2
130.06523	8.7
134.06017	2.6
135.04414	6.3
139.03911	36.5
141.05499	1.7
141.06534	2.3
145.02843	3.0
145.04970	27.1
146.06009	3.3
147.02931	4.7
157.07634	18.3
159.02904	21.8
163.03925	31.0
170.06013	2.7
171.06540	70.9
177.05525	2.9
181.04945	7.1
184.07370	1.8
189.03905	5.3
195.06528	29.2
197.59317	1.6
205.05075	1.8
207.06688	2.7
213.04065	1.9
213.07581	23.1
222.05225	2.8
228.11385	8.6
230.06563	2.8
231.05008	13.2
237.07600	18.3
241.00281	1.8
248.07719	5.9
256.10828	29.4
261.07660	9.9
274.11862	16.5
279.08688	19.5
298.11761	2.4
316.12872	2.3
400.15179	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	435.3261
Annotation	Plagiospirolide E
Peak:m/z	Relative Intensity
53.03938	1.5
55.05271	0.8
55.05515	10.9
57.07065	2.3
60.37938	0.7
63.00904	0.6
65.03934	1.3
67.05510	23.2
69.06732	1.0
69.07076	13.2
69.60489	0.6
71.08630	0.8
71.23916	1.3
77.03967	0.6
79.05497	10.0
81.07063	25.9
83.08630	6.3
85.06563	0.6
88.93463	0.6
91.05486	11.6
93.07047	21.7
95.04955	1.5
95.08615	27.4
97.06526	0.9
97.10188	1.7
103.05408	0.7
105.07035	23.1
107.04891	0.6
107.08604	29.6
109.06467	1.1
109.10162	30.4
111.08131	0.8
111.11700	1.2
117.07027	4.1
119.08587	39.7
121.10152	17.2
123.08089	0.9
123.11716	5.8
128.06190	1.0
129.07045	3.2
129.37604	0.6
130.07811	0.7
131.08578	12.6
133.10141	16.4
135.11700	11.3
137.13268	2.1
141.07021	1.5
142.07796	1.8
143.08560	8.2
144.09349	1.2
145.10133	20.0
147.11702	16.2
149.13258	12.9
151.07561	1.6
153.09122	1.7
155.08546	2.7
156.09375	2.2
157.10143	11.4
158.10947	1.2
159.08080	1.0
159.11705	17.0
161.09671	0.9
161.13268	9.5
163.07571	3.5
163.11130	0.8
163.14816	4.8
165.07005	0.8
166.07750	0.6
167.08591	0.9
168.09372	0.9
169.10144	6.7
170.10898	0.8
171.11696	12.2
172.12480	1.2
173.09615	0.7
173.11816	1.6
173.13257	14.4
175.14841	11.0
177.09221	0.9
177.16382	2.7
179.08435	0.6
179.10756	1.2
181.10176	2.1
181.12299	1.5
182.10883	1.3
183.11713	5.8
184.12563	1.3
185.13242	7.5
187.14839	10.7
189.09125	1.2
189.16397	10.5
191.17952	1.4
193.10226	1.2
195.11653	3.6
197.13237	6.0
198.14040	1.0
199.07602	0.8
199.14828	10.0
201.09135	1.1
201.16389	15.9
203.10588	0.8
203.17952	6.5
205.12242	0.9
207.11734	2.0
207.13788	1.7
209.13341	3.9
211.14825	5.9
212.15538	0.6
213.16385	8.9
215.10785	1.1
215.14383	1.4
215.17934	7.3
217.19516	1.8
219.11855	0.8
219.13884	2.8
221.13303	1.4
222.14189	0.7
223.14818	3.4
225.16446	6.4
227.17892	4.9
229.19508	1.9
231.13884	1.5
233.15388	3.3
235.14822	1.5
237.16391	4.5
239.18010	5.0
241.19530	2.7
243.13667	0.6
243.20988	1.4
245.15446	3.0
247.16966	1.2
249.16446	1.7
250.17038	0.7
251.17879	3.3
253.19485	3.1
255.21085	1.8
257.15378	2.3
257.22684	1.6
259.17050	1.6
263.17987	2.0
265.19571	2.6
267.21088	4.9
269.15353	0.8
269.22717	1.5
271.16977	2.0
273.18500	2.1
277.19586	2.3
279.21094	5.0
281.22720	2.2
282.23523	0.8
283.17017	2.7
283.24213	6.9
285.18604	2.2
285.25739	0.9
287.20062	1.2
293.22705	1.7
295.24173	1.0
297.18497	3.6
299.20084	1.8
305.22568	1.3
307.24362	1.1
309.18488	1.4
311.20029	1.5
313.21500	1.1
319.24176	2.4
321.25735	0.8
323.20135	0.9
325.21750	3.7
333.25839	1.9
347.27371	1.5
351.23102	1.2
353.24762	2.9
365.24927	1.7
379.26303	4.0
389.32065	20.5
391.33865	1.5
393.28067	1.0
407.33041	2.4
417.31555	2.2
435.27579	6.1
435.32626	100.0
436.33099	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.2746
Annotation	Iriomoteolide 3a
Peak:m/z	Relative Intensity
51.38733	1.3
53.03933	4.2
55.01865	2.9
55.05520	14.1
57.03424	3.4
57.07063	1.7
59.04993	3.1
59.47532	1.7
60.28382	1.3
65.03925	4.2
67.05506	100.0
69.07076	11.5
71.04990	3.5
71.52570	2.1
77.03911	1.5
79.05495	42.4
81.03397	4.6
81.07057	37.3
83.04966	8.8
83.08617	9.1
85.06519	3.8
91.05486	33.1
93.07050	35.8
95.04976	10.3
95.08600	26.6
97.06516	2.6
97.10177	2.9
105.07030	25.6
107.04950	2.8
107.08597	23.7
109.06496	5.1
109.10157	59.0
111.08060	4.9
117.07020	7.3
119.08578	28.0
119.67772	1.4
121.06498	3.7
121.10142	8.3
123.04426	1.6
123.08035	2.5
126.87486	1.7
129.07013	8.2
131.08562	6.2
133.10126	13.8
135.07997	3.1
135.11697	5.4
137.09605	4.1
143.08560	9.2
145.10129	11.3
147.11690	22.2
149.09634	2.2
153.09122	1.5
155.10666	4.4
157.10114	6.0
159.11705	7.5
161.09624	4.3
161.13257	7.4
169.10155	1.9
171.11687	18.5
173.11723	16.1
173.13234	5.1
175.14848	2.4
183.11632	2.1
185.13176	2.3
187.14883	2.7
189.12733	5.7
189.16313	2.4
195.11620	2.6
197.13261	3.0
199.14867	4.4
201.16412	3.4
202.23750	1.6
207.13800	16.1
211.14911	2.4
213.16396	2.7
217.15962	2.5
225.14716	1.8
325.21637	1.8
343.22592	2.7
389.31952	5.0
394.95914	1.5
417.20914	1.9
417.26514	3.5
435.22217	3.7
435.27310	70.4
435.32703	20.3
451.72711	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	435.251
Annotation	1-(9Z,12Z-octadecadienoyl)-glycero-3-phosphate
Peak:m/z	Relative Intensity
55.05518	22.6
57.03419	13.9
57.07066	10.0
60.71033	4.0
67.05511	72.5
69.07065	25.1
70.69655	8.0
70.70016	8.2
71.08636	5.7
79.05486	30.4
81.03407	4.0
81.07061	79.6
83.08620	19.4
91.05502	22.7
93.07059	34.9
95.04984	7.1
95.08611	76.3
97.06520	7.5
97.10167	11.8
98.98470	100.0
105.07055	14.9
107.08590	28.0
109.06511	7.6
109.10165	32.5
111.08095	10.6
119.08559	16.7
121.10160	17.9
123.11694	17.0
131.08574	10.7
133.10135	15.7
135.11679	13.1
137.13287	6.3
145.10130	14.3
147.11696	9.2
149.09695	4.8
149.13281	9.8
151.14833	8.2
155.01064	71.0
159.11790	8.0
161.13240	6.8
163.14891	7.6
171.11664	5.9
173.02068	10.1
173.13383	5.1
175.14848	11.0
185.13200	4.6
197.13335	4.9
199.14850	5.1
245.22746	26.1
259.87680	4.4
263.23746	65.5
264.18539	4.9
331.26089	4.4
337.27402	63.4
343.22687	10.0
390.34995	5.1
417.26263	5.2
435.27527	14.0
435.33191	24.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.184
Annotation	Lonchocarpic acid
Peak:m/z	Relative Intensity
55.48829	0.3
55.57926	0.3
55.66302	0.3
56.29258	0.3
60.08233	0.3
62.87149	0.3
69.03414	0.4
70.06579	1.2
70.76724	0.7
72.08155	0.6
81.07019	0.4
85.02903	0.6
91.05491	0.6
95.05013	0.3
95.08670	0.3
97.02888	1.4
98.03242	0.4
98.97555	0.4
110.06001	0.5
119.04935	0.3
119.08557	0.6
121.02837	0.5
121.68928	0.3
123.04414	1.1
127.03897	0.4
127.77795	0.3
131.08595	0.4
135.04364	0.4
147.04416	0.5
163.03920	1.0
167.07095	0.9
181.04997	2.0
201.09201	0.5
215.06831	0.3
225.34352	0.4
233.08104	1.1
243.06818	0.4
243.10234	0.5
263.09146	0.5
273.07620	0.6
273.11096	0.4
303.14200	1.8
309.38168	0.3
311.09476	0.4
342.20636	0.5
384.25195	2.0
399.26468	0.5
401.28006	2.4
417.15854	0.9
417.27124	0.4
418.26080	1.1
435.18393	100.0
435.28293	4.5
436.18951	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.1653
Annotation	CHEBI:67628
Peak:m/z	Relative Intensity
53.03944	1.8
53.43845	1.1
55.01874	1.2
56.96561	1.4
65.03946	6.4
65.38295	1.2
65.81584	1.0
66.18869	1.1
67.05503	4.2
69.03411	4.7
69.07085	1.8
70.06577	1.5
72.08147	1.9
73.02924	1.3
79.05495	13.9
80.23042	1.1
81.03419	4.8
81.07060	4.8
82.04203	2.2
83.04985	1.4
84.04498	1.1
85.02915	6.5
86.09713	1.1
89.03892	1.1
91.05496	5.8
93.03438	2.0
93.07053	2.7
94.04118	1.0
95.04977	3.7
97.02900	3.4
97.06527	3.4
103.05477	2.2
105.04548	1.1
105.07034	5.4
106.02880	1.1
106.04195	1.5
107.03329	1.1
107.04960	37.4
109.02843	1.3
109.06526	1.9
110.03673	2.9
111.04456	2.1
111.08074	1.6
115.05441	7.1
117.07016	9.8
121.06504	1.6
121.10165	2.1
123.04453	8.7
124.03945	4.5
124.05202	5.2
125.04298	1.8
125.06023	4.7
126.34531	1.0
127.03924	2.3
127.05427	1.7
129.07018	4.0
131.04936	3.7
131.08530	2.9
133.06479	6.1
133.10065	1.5
135.04436	1.1
137.05992	3.4
138.03145	2.2
141.06967	3.5
142.02553	2.2
143.04933	1.5
144.05724	3.9
145.05415	1.8
145.06500	20.2
147.04437	3.0
147.08078	3.1
149.06020	1.6
152.04631	2.7
152.17442	1.1
153.05478	3.9
155.04935	1.8
155.06052	5.4
156.05696	1.2
157.05351	1.3
157.06468	6.4
159.04381	1.2
159.08052	4.5
160.05118	1.6
161.05978	12.9
163.03886	4.3
163.07565	2.1
165.05519	1.2
166.02724	1.4
167.07048	93.9
168.11719	1.2
169.10065	1.5
169.12247	1.8
171.06573	3.2
172.05206	6.6
173.06000	13.7
174.06787	1.8
175.07524	6.2
177.05524	1.8
179.06982	1.5
181.04959	87.3
181.08318	1.9
185.05998	2.2
186.03238	2.0
187.07567	7.5
189.05464	8.0
189.09102	1.3
190.06265	5.4
191.03320	1.2
191.10701	2.1
195.03108	1.3
195.06572	3.6
197.09637	2.5
200.04767	2.1
201.05492	12.0
201.09113	6.7
203.03360	2.1
203.07057	4.6
204.07950	1.2
205.08621	11.8
206.05754	3.0
207.10107	2.6
213.05521	1.9
215.10672	2.2
217.08600	3.9
218.05742	12.6
219.06461	6.8
219.08298	1.4
219.10112	3.6
221.06149	2.0
221.08092	14.9
225.09135	3.6
231.06583	4.4
233.08086	75.8
235.07610	2.6
235.09654	12.2
237.00864	1.2
237.62756	1.1
241.23662	1.4
243.10172	4.4
245.08060	5.8
251.07147	1.6
251.09186	15.3
253.08534	1.1
255.06549	2.9
256.01917	1.5
263.06824	1.6
263.09180	17.7
264.07797	2.5
265.08710	1.3
268.08133	1.5
269.08340	2.2
270.05243	1.9
275.07117	1.5
277.08881	1.2
279.06580	1.1
279.10178	1.3
281.10391	2.2
292.07309	1.3
293.08252	1.3
295.09631	1.6
303.05054	5.8
307.09610	2.3
308.10046	1.5
309.07462	2.8
311.12723	1.1
313.06821	1.3
316.57007	1.4
323.09213	2.6
331.08072	4.7
337.10910	1.6
339.12314	3.9
346.10513	2.6
353.09958	1.4
355.11780	3.2
361.16196	1.3
367.11874	6.1
369.09851	1.4
371.14932	3.0
372.12051	1.8
373.12592	1.3
381.13419	2.1
384.11914	2.2
385.12775	1.2
387.14316	8.7
399.14297	8.7
405.15399	2.7
417.15448	100.0
418.15912	1.4
435.11606	2.3
435.16342	3.4
435.21713	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.14
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01858	1.8
56.96560	1.1
65.03899	0.7
67.05497	1.2
68.99764	1.0
69.03444	1.2
70.06586	2.3
71.52334	1.5
72.08157	4.0
83.04992	0.7
85.02887	2.6
86.09705	2.2
89.03906	1.5
95.04985	2.0
95.46411	0.7
97.02880	2.0
98.97593	1.3
107.04967	1.4
108.05347	0.8
109.02871	1.9
111.04412	1.5
119.01923	1.4
119.04935	5.2
121.02821	1.0
123.04430	39.1
124.07652	0.9
127.03938	1.3
127.40228	0.7
133.06055	0.9
135.04440	5.5
137.02446	1.3
137.05896	0.7
139.03925	11.5
145.02809	1.6
147.04405	17.0
151.03905	53.6
153.05440	1.6
161.05983	5.0
163.03920	14.4
165.05487	9.9
167.07047	1.6
169.06450	0.7
173.06006	4.3
175.03883	0.9
177.05536	1.4
179.07089	1.5
181.04913	6.5
186.06847	1.1
187.04100	1.1
187.07549	1.6
189.05472	1.8
193.04918	4.8
197.05991	1.0
197.09541	1.0
201.09152	1.4
207.06483	3.8
215.10693	2.0
217.08626	1.3
225.09120	1.4
239.07100	1.0
243.10188	7.4
261.11176	1.0
273.07526	1.8
285.04486	0.7
285.07584	3.7
303.08636	100.0
304.09094	1.9
400.24719	2.1
417.27386	4.6
430.07001	0.8
435.08377	1.0
435.18546	6.6
435.28003	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	435.129
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03428	6.7
67.05489	2.5
68.99796	2.9
69.03423	4.3
69.38073	11.4
70.06575	3.9
71.04977	1.6
72.08164	2.9
73.02929	1.7
74.44423	1.6
77.91012	1.4
79.05497	2.4
81.03413	5.4
81.07070	1.5
83.04958	1.6
85.02906	26.5
87.04457	1.8
89.03866	1.3
90.04702	1.3
91.05489	3.4
93.07027	2.2
95.04943	3.4
95.08590	1.5
97.02888	6.6
98.03241	2.4
103.03925	2.3
103.75290	1.4
105.06996	2.4
107.04945	3.8
107.08648	1.9
109.02881	5.6
109.10153	2.8
115.03868	2.1
119.04945	3.0
119.08559	2.3
121.02864	12.9
121.06490	3.1
123.04431	10.7
125.02349	4.0
127.03922	2.5
131.08553	2.0
133.04956	2.5
135.04460	2.7
137.02306	1.6
137.05923	1.4
145.04977	2.4
147.04407	17.6
149.02344	2.4
151.03923	4.5
152.01459	1.5
153.01852	9.4
163.03893	11.1
165.01837	42.8
167.07037	4.4
171.02904	3.8
173.02490	1.9
177.01846	15.0
177.05493	1.8
181.04951	7.0
183.02864	12.6
187.03865	2.7
187.07625	1.8
189.01828	6.5
191.03366	21.6
195.02895	100.0
201.09161	2.6
203.03461	3.7
205.04968	2.4
207.02753	1.6
207.10155	1.4
209.04370	2.4
215.03384	3.0
217.01308	2.1
219.02896	37.2
225.09221	2.0
231.02878	29.3
233.04437	3.1
233.08209	3.2
237.03775	1.9
243.02911	9.4
243.10106	4.8
249.03920	11.9
261.03970	24.8
273.07562	12.2
279.04974	6.3
285.04092	4.7
285.07574	39.1
297.07700	17.9
303.04901	3.1
309.07773	1.7
311.05667	2.2
315.08661	19.5
339.05063	1.5
339.08615	36.5
351.04825	2.7
351.08698	19.9
353.09763	1.6
363.08502	7.8
369.09650	4.5
381.10001	9.7
391.08047	1.5
399.10806	14.6
401.27841	1.7
435.12231	2.1
435.22061	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	435.1288
Annotation	Monospermoside
Peak:m/z	Relative Intensity
53.03944	0.7
55.01866	0.9
57.03442	4.0
61.02929	1.1
67.05489	1.6
68.10535	0.6
68.99777	0.8
69.03427	6.0
69.25197	6.2
70.06566	0.9
70.62074	0.5
71.62511	0.6
71.63907	0.7
72.08155	1.4
73.02900	1.0
78.15972	0.6
79.05495	1.1
81.03404	2.4
81.07052	1.4
83.04961	1.0
85.02432	1.1
85.02903	15.0
86.03222	2.5
86.09695	1.0
87.04478	3.0
88.04808	0.8
89.38232	0.6
89.95000	0.6
91.05486	1.8
93.07031	1.4
95.04962	1.7
97.02890	6.8
98.03213	1.4
98.21489	1.0
99.04470	0.7
103.03931	0.8
105.07028	1.2
107.04948	1.7
107.08578	1.5
109.02869	2.3
109.10150	1.0
111.00824	0.7
115.03928	6.5
116.04272	1.8
119.04916	2.3
119.08548	0.9
120.08148	1.0
121.02862	7.1
121.10165	0.9
123.04406	3.8
124.03915	0.6
124.05889	0.6
125.02307	0.9
127.03899	1.9
133.04973	5.6
134.05302	2.3
135.04413	1.6
137.05992	0.9
145.04916	2.4
146.05266	0.7
147.04391	6.5
147.07999	1.0
149.09518	0.9
150.07584	0.9
151.03928	2.1
151.07475	0.8
153.01833	2.9
161.05960	0.9
163.03963	3.2
163.06030	1.1
164.06407	0.7
165.01837	22.0
165.05591	0.8
167.07040	1.9
171.02985	1.5
175.03937	0.9
177.01830	6.5
177.05421	0.7
179.78787	0.6
181.04953	3.7
182.05357	1.5
183.02885	7.6
183.05429	1.1
187.03918	1.3
189.01836	2.7
191.03394	10.4
195.02893	42.9
201.09137	0.6
203.03412	2.0
205.05055	1.4
207.02850	1.9
215.03371	1.6
217.01492	0.7
219.02893	17.7
231.02875	14.9
233.04405	1.1
233.08083	1.9
234.11116	0.8
237.04002	0.9
243.02875	3.4
243.10298	0.9
249.03937	4.4
261.03946	10.9
273.07632	3.4
273.16718	10.5
279.04987	2.3
281.24002	0.7
285.07553	16.9
297.07666	7.8
309.07602	0.7
315.08615	7.6
339.08670	16.4
351.08624	9.6
363.08722	3.7
369.09760	1.0
381.09518	3.6
385.12900	0.9
399.10809	6.0
405.14642	2.0
417.11621	1.1
418.22150	1.0
435.22021	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	435.129
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	1.5
54.30086	1.2
55.01869	4.0
57.03435	5.4
61.02884	1.5
61.13898	1.6
67.05510	4.0
68.99802	2.7
69.03427	3.3
70.06580	3.0
71.52706	1.9
72.08148	1.6
73.02899	3.6
79.05492	2.2
81.03411	5.8
81.07050	1.4
82.65883	1.4
83.04973	1.6
85.02915	23.7
86.09728	2.0
87.04465	2.5
91.05489	4.5
93.07054	3.1
93.42844	1.3
95.04961	5.0
95.08621	2.1
97.02920	10.5
97.06522	1.7
98.03226	2.9
99.04506	1.4
100.27039	1.4
105.07038	4.0
106.07423	1.9
107.04951	6.4
107.08578	2.1
108.54556	1.3
109.02901	7.8
111.08109	1.4
115.03916	1.8
119.04939	7.1
119.08605	2.5
121.02876	16.6
121.06509	4.8
123.04451	19.1
124.04020	1.8
125.02376	2.7
127.03940	4.2
131.04968	2.0
133.05013	1.6
135.04417	4.9
139.03947	1.8
145.02936	1.5
147.04416	22.0
149.02348	2.3
149.05991	1.7
151.03923	5.9
153.01820	10.2
161.05983	1.8
163.03893	13.6
165.01854	47.6
165.05492	2.0
166.05006	1.8
166.09819	1.5
167.07037	6.3
171.02908	3.2
175.03902	3.3
175.07559	1.6
177.01843	15.8
177.05589	1.9
179.03369	2.3
179.07043	2.1
181.04919	10.1
183.02896	15.9
187.03947	2.5
187.07573	2.0
189.01846	7.3
190.99899	1.6
191.03386	23.6
193.05045	1.7
195.02904	100.0
197.09866	1.6
198.98262	1.3
201.09148	3.6
203.03471	2.7
205.04924	2.8
207.02921	3.2
209.04460	2.1
215.03455	3.5
215.07230	1.6
215.10786	1.9
219.02908	40.6
221.08051	1.6
228.07120	1.6
231.02895	31.7
233.04393	3.7
233.08148	6.0
243.02872	9.1
243.10110	3.9
249.03993	12.5
261.03967	22.1
264.54422	1.4
273.07642	13.9
279.05051	5.2
285.04089	4.5
285.07538	41.7
297.07669	23.5
303.04846	2.2
309.07642	2.3
315.08688	20.1
339.05072	1.7
339.08624	36.7
351.08646	23.4
363.08780	6.8
369.09677	5.6
381.09811	12.0
385.12991	3.7
387.88367	2.0
399.10690	16.9
417.15479	4.2
435.11795	2.3
435.17105	1.6
435.22223	5.8
435.28372	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	434.2753
Annotation	Unknow
Peak:m/z	Relative Intensity
54.93068	3.3
55.01857	3.5
55.05516	11.3
56.96553	6.9
57.03422	4.9
59.02159	3.3
62.53617	3.2
65.03940	5.3
65.62899	3.6
66.54066	3.1
67.05500	15.4
69.03420	8.8
69.07067	17.6
69.23106	3.4
70.06584	4.3
71.04992	38.9
72.08157	3.8
73.06573	4.6
75.05706	3.2
79.05510	22.2
81.03432	5.2
81.07076	44.8
82.18747	3.4
83.04970	6.7
83.08611	11.6
85.02898	15.6
85.06539	9.1
86.09702	5.2
91.03921	3.8
91.05495	26.2
93.07043	35.7
95.04948	11.6
95.08611	45.5
97.02241	4.8
97.02871	26.6
97.06537	23.6
98.97597	5.5
99.04450	7.8
99.08096	11.0
105.07040	49.3
107.07957	4.8
107.08608	42.1
109.06556	5.3
109.10160	22.0
117.07016	6.8
119.08610	16.6
121.06458	5.7
121.10130	22.5
121.45496	4.0
123.04436	4.9
123.08044	10.2
123.11726	9.9
125.09644	26.8
127.03907	5.2
127.07527	5.3
127.11200	8.2
129.07022	4.1
131.04912	4.0
131.08563	14.5
133.10139	95.5
135.11653	4.4
136.52618	4.0
137.05991	8.2
142.91109	3.4
143.10680	63.2
145.10118	23.3
147.04387	5.0
147.11667	15.8
149.13292	34.6
151.11180	4.4
159.11710	16.2
161.13275	20.9
163.03889	11.5
164.04214	3.9
167.14331	85.4
168.14668	4.5
169.12299	8.9
173.13257	5.5
181.04959	9.3
201.05360	3.8
201.09070	7.6
201.16498	18.1
207.06485	4.2
215.07066	3.8
219.17459	100.0
227.16423	5.3
233.08009	4.6
237.18558	21.5
242.08833	4.5
243.10179	4.6
260.10181	5.5
377.11475	7.2
386.12372	4.2
434.15387	7.9
434.21317	7.8
439.13138	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	434.2023
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	1.0
55.01867	1.1
57.03443	7.4
59.04994	0.6
61.02922	0.9
62.06078	1.4
64.38261	0.6
67.79633	0.7
69.03426	2.0
70.06582	2.4
71.01349	0.8
71.04994	70.4
71.52480	0.9
71.52858	0.8
72.08175	1.0
73.02923	2.2
75.04478	4.8
81.03421	1.2
81.07060	0.7
83.04986	6.6
84.08147	0.8
85.02906	100.0
86.03232	0.9
86.06042	0.7
86.09731	1.4
87.04465	2.5
91.05481	21.7
93.07056	0.6
96.38283	0.6
97.02890	8.4
97.03452	0.9
99.04438	1.5
103.03948	1.5
104.05933	0.6
105.03414	1.4
105.07022	2.8
109.02901	0.9
110.06022	1.4
111.04453	7.0
116.07083	0.7
117.07045	1.6
117.95016	0.8
121.02913	0.8
123.04416	1.6
127.03912	4.3
127.58544	0.6
129.05484	48.9
131.08572	0.7
133.06525	2.5
137.06038	1.0
139.03992	0.7
144.38429	0.7
145.04996	3.5
145.06485	0.9
146.08154	1.7
147.04652	1.0
147.06516	26.4
149.09660	1.0
163.03867	1.2
163.06053	0.8
164.09206	8.2
171.06482	1.0
175.07565	2.3
177.05579	1.0
188.92329	0.7
191.03354	0.7
209.15363	1.7
217.08824	0.8
237.07748	1.4
253.10704	1.2
255.08707	2.5
268.08435	0.7
271.91968	0.6
273.09686	1.2
289.76218	0.7
309.11810	3.0
434.27335	0.8
434.40555	0.6
435.18393	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	434.2024
Annotation	Unknow
Peak:m/z	Relative Intensity
52.12830	1.2
53.03950	2.4
55.01862	2.4
55.05523	1.6
57.03439	20.3
59.04993	5.3
60.04528	2.0
61.02919	5.3
67.05470	1.4
69.03429	72.0
70.06577	2.4
70.39776	3.8
71.04994	3.0
72.08148	1.8
73.02907	4.5
74.13666	1.3
79.05508	1.2
81.03426	6.3
81.07049	2.5
82.86623	1.2
83.04990	1.3
84.08121	1.3
85.02905	86.3
87.04468	56.0
91.03930	2.7
91.05481	2.6
93.07029	1.5
95.04959	2.1
95.08631	2.0
97.02892	76.6
99.04456	3.4
105.07018	7.6
107.04955	2.6
107.08564	1.6
108.05360	1.4
109.02880	5.3
115.03930	96.9
117.05463	1.4
121.10175	1.2
123.04433	3.4
127.03918	17.7
128.84883	1.3
133.04964	100.0
133.10097	3.0
145.04961	32.6
147.04439	1.3
147.08020	3.3
149.09608	1.6
150.07611	14.2
151.03905	2.6
159.87375	1.1
161.05930	2.1
163.03876	1.9
163.06010	16.3
164.07071	1.5
165.01802	2.6
167.06984	2.4
167.14362	1.9
169.04944	2.7
171.08028	1.8
177.05548	2.1
181.04958	9.5
182.05276	8.0
187.05963	1.7
189.09152	3.0
191.03264	1.6
191.14267	2.3
193.08635	1.5
195.02892	3.4
201.09132	2.7
205.07083	1.6
209.15427	5.3
213.09056	1.3
219.02924	1.4
219.17586	1.3
221.08174	3.6
222.08365	3.3
231.10313	1.6
236.05551	2.1
241.07047	4.2
249.03676	1.4
249.07753	1.4
249.11194	1.3
250.08011	1.6
255.12044	1.7
259.08115	6.7
270.40070	1.4
276.89047	1.4
277.09155	3.8
285.07733	1.7
285.13312	6.9
295.10303	4.8
347.05350	1.2
403.14026	1.5
404.14249	16.2
427.20053	1.3
435.22058	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	434.1659
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	5.2
57.03440	49.6
61.02928	17.1
69.03434	49.9
70.06588	5.2
70.41428	4.9
71.01350	5.0
72.08156	2.3
73.02924	100.0
79.05514	3.7
81.03407	8.3
84.04494	2.8
85.02911	86.9
86.06705	2.1
86.09697	3.5
87.00852	3.8
87.04472	6.9
90.36937	2.4
91.05470	3.9
96.04490	4.1
97.02299	4.5
97.02899	76.4
99.04467	8.2
105.01899	4.5
105.03371	3.1
109.02883	12.2
110.06055	5.6
115.03942	67.5
115.05199	3.8
117.03419	2.8
119.04955	3.8
122.06023	10.2
123.04439	17.3
126.05495	2.7
127.03913	31.1
129.91510	2.1
131.04968	3.1
133.04970	20.7
139.03896	3.5
140.07065	2.4
144.06548	9.8
145.02954	3.9
145.04976	43.7
150.05547	5.4
150.07584	4.7
151.03891	3.2
151.07590	7.2
157.34621	2.6
162.07587	5.2
163.03905	10.3
163.05972	15.3
165.09045	4.2
168.06554	3.3
173.06013	2.5
177.05443	6.8
180.08624	7.5
193.08580	5.6
207.49202	2.1
219.06610	4.0
223.06029	8.3
235.09619	3.3
241.07071	6.2
259.07977	4.6
277.10709	5.1
283.69278	2.4
285.09799	3.7
295.10312	3.5
406.30359	2.3
416.24228	5.0
434.25610	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	434.1448
Annotation	Dysideaproline E
Peak:m/z	Relative Intensity
51.36500	0.3
55.01874	0.6
56.77906	0.3
57.03426	0.5
59.37587	0.4
65.03915	0.6
67.01853	1.6
67.05488	0.8
68.05006	1.4
68.99781	0.9
69.03442	2.5
69.07052	0.4
70.06598	15.9
71.52071	0.5
73.02888	0.4
79.05499	0.4
80.05027	0.5
81.03417	1.1
81.07057	0.4
83.04974	0.4
84.04530	0.5
84.08126	0.5
85.02898	1.6
86.09719	0.6
91.05478	1.2
93.03381	0.5
93.07048	0.5
95.04955	1.4
95.08657	0.3
97.02896	3.0
97.06545	0.4
105.07032	1.6
107.04935	1.1
108.08128	0.4
109.02890	0.7
109.10150	0.5
110.06019	0.4
111.04453	0.8
114.05553	0.8
115.03927	0.6
117.05785	0.4
118.06532	0.7
120.08127	0.8
121.02863	1.6
122.06076	0.4
123.04433	11.1
124.03974	0.6
124.07565	0.7
125.05996	0.8
127.03915	1.3
128.06227	0.5
128.07088	4.3
130.08649	26.3
133.04994	0.7
133.10135	0.4
134.09698	0.7
135.04417	0.7
135.11697	0.5
136.07574	3.8
137.02354	0.5
137.05965	0.7
138.09109	0.5
139.03899	4.1
141.01883	0.4
144.08131	0.3
146.06050	0.9
147.04437	1.0
148.07590	1.4
149.02409	1.7
151.03917	12.5
151.05122	0.8
153.01869	1.1
153.05492	1.9
153.06561	0.4
156.07999	0.4
160.07571	0.7
161.06049	0.5
162.09167	1.5
163.03918	53.8
164.07074	18.6
165.01871	1.0
165.05496	3.8
165.07773	0.4
166.08629	0.8
168.10208	2.9
172.07584	0.4
175.03954	0.8
176.07076	1.8
178.08652	0.8
179.03444	0.4
181.04958	2.9
184.07724	0.4
189.05533	1.0
190.08597	1.8
191.03406	0.7
192.06551	2.0
193.07373	0.7
194.08138	11.0
195.02873	1.0
196.08167	0.3
196.09702	2.0
197.05881	0.4
205.04886	0.5
206.08136	0.4
213.05486	1.0
215.07086	1.5
217.04968	1.2
218.08099	0.9
224.09193	11.1
226.10768	1.1
231.06554	1.1
232.09813	0.6
233.24796	0.5
234.07690	0.5
234.11478	0.4
241.05025	0.7
242.08961	0.5
243.06544	0.7
243.10207	0.4
248.09200	0.4
250.10886	1.2
252.08708	2.2
254.10181	2.1
259.05994	2.9
268.09659	0.5
269.04425	0.7
273.07742	1.0
278.10272	0.8
282.11346	0.7
283.06036	1.4
284.06360	3.4
285.07211	1.2
286.10712	1.8
287.05554	2.7
298.07928	0.6
305.06512	3.0
310.07718	0.5
310.10901	1.0
312.12286	0.4
313.06989	0.9
314.07440	3.0
324.09555	0.8
328.11826	3.0
338.07300	0.9
356.11337	2.8
368.08612	0.6
370.12952	1.4
380.08499	0.5
388.13849	3.3
398.09491	1.1
406.14792	1.0
416.13638	8.1
429.07230	0.4
434.14539	100.0
435.15015	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	433.3102
Annotation	4,4'-Diaponeurosporenic acid
Peak:m/z	Relative Intensity
51.91959	0.5
52.91743	0.4
53.03932	1.3
53.32014	0.4
55.05513	5.2
57.07066	1.1
65.03943	0.6
67.05503	7.0
69.07069	5.5
69.36043	3.5
77.03931	0.8
79.05502	5.6
81.07060	11.8
83.08616	3.2
91.05486	8.8
93.07050	11.0
95.04978	1.2
95.08614	18.7
95.16206	0.5
96.61535	0.5
97.06522	0.6
97.10196	1.2
101.03465	0.5
103.05414	0.7
105.07037	21.4
107.08601	20.4
107.70368	0.6
109.10156	9.7
111.08058	0.9
114.51869	0.5
115.05434	0.8
117.07018	4.1
119.08588	30.7
121.10152	10.6
123.08092	0.6
123.11746	3.3
128.06213	1.3
129.06976	2.8
130.07813	0.7
131.08562	12.4
133.10132	17.5
135.08084	1.0
135.11703	5.1
137.13252	1.0
138.05496	1.2
139.05902	0.6
141.07008	1.9
142.07814	2.8
143.08569	10.3
144.09338	1.7
145.10133	20.1
147.11691	14.3
149.05972	0.8
149.13223	3.2
151.07472	1.3
153.09094	1.4
155.08566	4.7
156.09354	3.5
157.10126	12.7
157.11334	1.0
158.10919	1.5
159.11702	14.8
161.09695	0.6
161.13258	15.4
161.14607	0.9
163.07527	1.2
163.11223	0.9
163.14821	2.3
163.18759	0.5
165.09041	0.8
167.08623	1.4
168.09363	0.9
169.10130	7.5
170.10867	1.9
171.11684	11.3
172.12486	0.9
173.13278	13.4
175.14827	15.5
177.16373	1.9
179.08548	0.9
180.09328	0.7
181.10098	3.1
181.12299	0.6
182.10915	2.5
183.11707	8.1
184.12465	1.7
185.13268	9.2
186.13994	0.6
187.14818	11.1
189.09114	0.6
189.16393	4.4
191.14522	0.6
193.10130	1.6
193.12119	0.7
195.11671	4.3
196.12466	1.6
197.13255	9.2
198.13992	1.1
199.14825	18.7
201.16402	11.8
203.17943	1.5
205.12247	1.0
207.11774	2.4
208.12518	0.6
209.13307	4.8
209.15157	0.9
210.13922	1.0
211.14824	7.4
213.16383	10.7
215.10699	0.5
215.14342	0.7
215.17986	3.1
217.12157	0.6
219.11734	0.7
219.13722	1.2
220.12251	0.7
221.13232	2.9
221.15248	0.9
222.14082	0.6
223.14835	4.7
225.16423	4.9
227.17938	4.9
229.19440	0.8
231.13795	1.1
233.13235	1.1
233.15379	0.8
235.14838	2.6
236.15572	0.6
237.16344	5.6
239.17973	3.4
241.19583	2.5
245.15440	2.0
247.14774	1.0
247.16962	1.3
249.16295	2.6
251.17972	4.4
253.19484	3.5
255.21136	0.8
257.15417	2.4
259.17010	2.0
261.16431	1.1
263.17984	1.8
264.18698	0.9
265.19464	4.3
267.21103	1.5
271.16870	0.6
273.18521	1.7
275.17966	0.9
277.19498	1.9
279.21133	2.6
280.21960	0.9
281.22672	3.2
283.16870	3.0
283.23923	0.9
285.18591	1.4
289.19592	1.1
291.21088	3.4
293.22855	1.2
295.16998	1.0
297.18591	5.8
303.21075	1.9
305.22543	2.0
309.18604	0.9
311.20071	1.1
317.22711	2.8
319.24277	1.2
323.20084	2.2
325.21692	1.5
329.22623	1.5
331.24280	1.7
333.22174	0.6
337.21609	1.1
339.23212	1.4
344.25031	0.7
345.25751	1.9
349.21710	0.8
350.22681	0.7
351.23279	1.8
359.27365	0.8
363.23215	2.3
365.24759	0.6
373.29150	0.8
375.22897	1.0
377.24750	2.0
387.30481	21.3
388.31122	0.8
389.32080	1.6
390.25717	1.0
391.26266	1.6
405.26987	0.9
405.31952	4.1
415.29898	1.9
433.31042	100.0
434.31354	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2586
Annotation	Rastevione
Peak:m/z	Relative Intensity
55.05500	3.7
57.03419	1.0
62.58404	0.8
64.74408	0.8
65.03930	1.5
67.05509	24.1
69.03394	1.1
69.07077	4.4
69.07410	0.9
71.04989	0.9
71.52241	1.0
73.02917	0.8
79.05499	7.6
81.07061	33.6
83.08614	5.5
84.38553	0.8
85.06536	1.0
86.09724	1.0
91.04976	1.5
91.05481	14.5
93.07049	8.7
93.68181	1.0
95.04977	1.5
95.07992	1.7
95.08609	31.3
97.06529	2.0
97.10148	2.8
105.07034	5.9
107.04905	0.9
107.08586	7.1
109.10162	17.4
111.08065	1.1
117.07037	1.1
119.04124	1.9
119.04949	24.4
119.08596	4.5
121.10142	6.4
123.04404	1.2
123.11713	7.3
125.09641	1.3
130.58279	1.0
131.08571	2.4
133.10132	9.9
135.11737	5.7
137.09624	3.3
137.13235	3.0
141.09000	1.0
141.86433	0.9
143.08615	1.3
145.10089	2.8
147.04414	100.0
147.11674	3.0
149.09627	0.9
149.13263	3.4
151.11183	5.7
155.10643	2.2
159.11671	2.1
161.13194	1.0
163.14729	0.8
165.04189	1.9
165.05495	27.0
169.12263	1.2
173.13185	1.2
174.08031	1.0
181.12151	1.0
184.07291	1.6
195.13750	2.0
215.17914	10.6
231.46696	0.8
233.19052	7.4
251.20061	18.6
261.18698	1.0
317.77930	0.9
433.25668	1.5
433.30936	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1682
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33760	0.6
53.03949	0.9
55.05514	2.0
56.96579	0.8
57.03436	0.7
67.05490	2.4
69.03425	2.2
69.07057	1.0
69.22312	0.7
69.74554	2.9
72.08149	5.0
78.03456	1.3
79.05473	1.4
81.03403	2.2
81.07066	1.3
83.04977	2.8
85.02895	2.8
91.05476	3.2
93.07036	1.5
95.04956	2.6
95.08598	1.6
97.02876	2.2
97.06541	2.0
98.21505	1.1
105.07020	1.1
106.02925	3.4
107.03259	1.9
107.08601	1.2
109.02901	1.5
109.10177	1.2
111.04451	2.3
115.05480	1.3
119.04967	4.3
119.08544	0.9
120.05326	2.3
121.06489	1.6
121.10165	1.0
122.06036	0.9
122.06828	0.8
123.04453	2.2
124.03947	6.3
124.04730	1.0
125.04324	2.2
127.03907	0.9
129.07018	1.2
130.06514	1.6
133.06451	0.8
133.10152	1.0
136.07567	1.1
139.03937	2.3
143.08571	1.1
147.04404	18.0
148.04749	10.3
151.03903	0.9
152.06241	2.9
157.07663	1.4
158.06024	1.0
159.09189	1.4
160.05202	1.3
161.05969	5.7
163.03911	2.7
164.07079	0.8
165.07062	1.3
167.07108	1.8
167.08595	7.6
169.06482	1.3
173.05960	13.5
175.08707	1.8
176.06990	0.8
177.05484	1.2
180.05717	1.0
181.04980	3.4
181.06519	1.9
184.05261	1.5
185.05873	0.9
185.09906	1.4
185.11502	12.0
187.07597	1.0
189.05482	1.6
189.09036	3.6
195.08099	5.1
197.06027	3.0
198.06781	3.6
199.07480	0.9
200.04709	1.2
201.05461	1.3
205.04921	1.1
208.09767	0.8
211.07620	0.9
213.05513	1.2
213.09059	3.3
213.11035	6.5
215.07008	4.8
215.10648	1.6
216.04048	0.8
217.04993	9.1
217.08603	1.7
220.10516	0.8
223.07599	1.0
231.10219	3.2
241.08592	60.0
251.07526	1.5
259.09650	5.7
268.08206	1.9
269.08569	3.6
271.06082	1.3
281.04492	1.0
285.12314	1.0
316.16653	1.2
329.15851	1.9
333.76147	0.8
347.16763	22.2
389.17828	64.0
391.10419	4.4
415.12665	1.1
433.16830	100.0
434.16977	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1494
Annotation	2,3,4,5,2',6'-Hexamethoxy-3',4'-methylenedioxychalcone
Peak:m/z	Relative Intensity
52.27552	0.6
53.03946	1.2
55.01868	1.2
65.03943	7.9
67.05495	2.9
68.25304	0.6
69.03402	2.1
69.16397	6.5
70.06578	1.1
77.03918	0.9
79.05496	7.2
81.03380	0.9
81.07063	1.0
82.04205	3.0
85.02497	0.6
85.02905	5.5
85.55447	0.6
86.09734	0.8
86.83462	0.5
91.05447	2.0
93.03378	2.4
93.07076	0.6
95.04974	6.1
97.02863	1.5
97.06527	3.1
98.20695	1.3
103.05436	1.3
105.04500	1.1
105.07027	6.8
106.89392	0.7
107.04958	18.0
108.02110	1.4
110.03658	3.8
111.04446	0.9
111.08146	0.6
115.05414	1.9
119.28385	0.6
121.02821	0.8
123.00793	0.7
123.04436	6.6
124.05203	3.1
125.06005	3.2
131.04924	0.9
131.81386	0.7
133.06483	7.9
133.10135	0.6
135.33342	0.6
138.03084	2.1
139.03894	0.7
139.07492	0.8
140.04633	1.0
142.02655	3.3
143.06094	0.8
152.04665	1.1
153.05473	2.9
155.07040	2.0
160.05223	0.7
161.05981	11.8
163.03847	1.1
167.07048	22.5
171.06557	3.0
173.05901	0.8
177.05476	1.2
178.06229	1.4
181.04953	100.0
182.05371	0.7
183.06528	2.3
188.40019	0.6
189.05453	2.4
191.03383	0.5
191.07036	1.2
193.08600	14.6
195.08006	0.7
196.08183	0.8
201.09044	0.7
205.08676	0.7
206.05745	1.8
215.07014	1.3
219.06523	0.9
221.08083	33.7
233.08287	1.0
241.08597	1.5
249.07597	18.5
254.12292	1.0
259.09702	0.6
267.06418	0.7
298.08316	0.6
313.10330	0.6
317.08646	0.7
327.08630	0.9
333.71289	0.6
358.10760	0.7
372.11935	0.8
373.12799	1.1
403.13885	85.8
404.14590	1.1
433.14880	3.1
433.27484	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1495
Annotation	2-(3,4,5-Trimethoxyphenyl)-5,6,7,8-tetramethoxy-4H-1-benzopyran-4-one
Peak:m/z	Relative Intensity
55.05478	1.0
56.96550	0.6
58.10673	0.4
67.05463	1.9
69.07048	1.0
70.57471	0.4
72.43158	0.4
75.82452	0.5
76.37389	0.5
79.05437	1.1
81.03366	0.7
81.07005	2.1
85.02901	0.6
89.06019	0.7
91.05426	1.6
93.07020	1.2
95.04981	0.7
95.08575	1.2
102.34940	0.5
105.03409	0.5
105.06973	1.5
107.08543	0.8
109.10114	1.2
119.08541	1.0
121.06480	1.0
131.08553	0.5
138.05463	1.9
139.03876	0.8
139.05771	0.9
143.08495	0.6
151.03894	2.4
151.07552	0.5
153.05453	1.7
159.11604	0.8
161.13190	0.6
163.03929	1.3
163.07559	0.7
165.04237	0.5
165.05490	7.9
173.13194	0.5
175.07515	0.7
177.05473	0.7
178.06302	1.4
183.02901	3.0
184.07239	0.6
191.06952	0.6
205.08603	0.7
211.02238	1.7
229.03288	0.6
247.13300	1.2
271.06165	0.9
273.07510	0.7
283.05933	0.7
288.06085	0.5
289.07156	3.0
299.05463	2.1
301.07013	0.8
311.05542	1.2
313.06845	0.8
314.07797	0.8
317.06473	3.2
325.06818	0.6
327.04977	3.4
327.08417	0.9
329.06454	1.6
330.03674	0.5
331.08060	0.9
332.09094	0.6
339.05191	2.4
341.02841	1.2
341.06613	1.2
342.07245	2.1
345.06085	7.5
347.11108	0.7
354.07251	1.2
355.04346	1.0
357.05878	1.4
357.09686	2.6
359.07730	2.2
360.08578	2.9
369.05957	0.8
369.09982	0.7
370.06757	1.3
371.07407	0.6
373.05524	4.1
374.09943	0.6
375.10724	2.3
385.09253	6.8
387.06982	4.8
387.10748	0.5
387.72052	0.6
388.07928	4.5
397.23901	0.7
399.10864	1.2
400.11359	0.7
403.10245	69.0
404.10455	1.2
415.25043	0.6
417.11743	3.2
418.12613	7.4
433.14963	100.0
434.15271	1.9
435.48773	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1131
Annotation	Isovitexin
Peak:m/z	Relative Intensity
54.50256	0.7
54.66204	0.7
55.01896	1.0
57.03461	0.8
61.12265	0.8
65.03943	0.7
65.77191	0.8
68.99797	1.1
69.03430	2.2
70.00330	3.5
70.06601	2.0
72.08122	0.9
79.05490	1.9
81.03437	1.4
84.08148	0.9
85.02911	4.5
86.09719	1.0
91.05499	1.9
93.07085	0.9
95.04990	1.2
97.02921	1.6
97.06559	0.9
98.21404	1.1
105.03394	0.9
107.04948	1.3
109.02923	1.1
119.04966	3.3
121.02883	10.3
121.10174	1.1
123.04485	2.4
127.03908	1.1
130.08675	1.6
131.08611	1.1
135.04453	0.8
136.07574	0.8
137.02289	1.2
139.03851	1.9
141.01822	0.9
145.02876	3.2
149.02359	1.4
151.03925	1.5
163.03903	9.2
164.07101	1.4
165.01834	12.3
165.05502	0.9
167.03419	3.7
167.07063	1.2
169.06520	1.8
177.01906	1.8
177.10284	1.0
181.04948	4.4
183.02914	2.6
187.03915	1.7
189.09134	1.0
190.02660	0.8
191.03450	1.2
195.02998	1.2
195.08118	0.9
197.05995	1.0
199.07538	0.9
200.04787	1.0
213.05508	2.0
213.09140	2.2
215.07001	4.3
217.04985	1.1
229.04991	1.3
231.02931	0.9
239.07118	1.0
241.08560	3.7
241.57191	0.9
243.03075	1.2
255.06534	2.1
256.07275	2.3
259.09595	4.5
261.03937	1.2
267.06494	6.1
270.02469	0.8
270.05206	2.7
271.06009	4.8
275.71021	0.8
279.06543	1.5
281.08044	7.1
283.06012	100.0
284.06735	16.0
285.07599	0.7
295.06073	12.1
295.09552	2.2
297.07538	7.0
305.08054	2.5
307.05963	2.5
308.06760	2.1
309.04163	1.5
309.07535	20.4
311.05341	1.5
313.07062	74.1
314.07318	0.9
321.07407	2.1
323.05664	1.1
323.09128	18.1
325.07001	1.8
325.22815	0.8
327.89099	0.9
333.07474	3.4
337.07040	34.6
343.08078	1.8
349.07056	8.9
351.08594	3.4
361.06985	8.7
367.08118	25.4
379.08124	19.6
397.09189	22.7
403.13962	1.1
415.10226	21.3
433.11154	25.2
433.19891	1.3
433.27292	1.4
434.14630	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	432.1289
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02371	0.5
53.03942	1.0
57.03439	0.3
59.11630	0.2
65.03936	0.9
67.05516	0.5
67.18672	0.2
69.03431	3.2
70.06587	0.4
70.30144	0.7
71.04996	0.5
72.08134	0.3
78.03455	5.4
79.05478	0.3
80.05019	0.7
81.03419	5.6
81.07091	0.5
85.02908	2.8
91.05483	8.1
93.07053	0.6
95.04969	0.7
96.04507	1.6
97.02861	2.0
97.06529	0.3
98.20877	0.3
99.04453	1.1
103.05461	0.4
106.02914	20.7
109.02151	0.3
109.02884	4.0
119.04944	20.5
119.08555	0.2
120.31575	0.2
121.06504	8.9
121.07384	0.4
123.04428	6.5
124.03954	37.2
127.03896	2.5
130.74869	0.3
131.08536	0.3
140.64244	0.3
145.02870	0.4
145.04933	0.6
145.10141	0.3
147.04410	100.0
148.04840	0.4
149.06018	0.5
149.09694	0.3
151.03905	2.8
163.03893	0.6
165.05505	1.9
166.05022	1.7
184.13385	0.5
189.05432	0.3
219.10175	2.9
231.06514	0.4
232.06024	0.3
241.08528	0.6
250.07126	8.5
268.08160	22.2
269.08466	0.3
371.14944	0.4
374.99634	0.4
388.13983	0.3
389.17776	0.8
396.10855	0.7
414.11829	4.7
431.28979	0.3
432.12805	10.1
432.18936	2.1
432.29211	1.8
433.16824	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.3521
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	5.8
57.07075	23.6
67.05501	3.4
67.54961	1.7
69.07055	8.8
71.07828	3.1
71.08195	2.0
71.08643	16.7
79.05488	1.9
81.07076	9.4
83.04981	4.6
83.08598	6.3
85.10156	9.3
91.05456	4.0
93.07043	6.6
95.08581	10.8
97.10128	3.2
104.47616	1.8
105.07018	2.6
109.06483	3.6
109.10155	3.2
111.08076	2.4
119.08585	2.5
121.06503	3.5
123.08057	4.2
131.08580	2.2
133.06497	2.0
135.08075	3.5
135.11674	2.0
137.05974	19.4
137.09615	3.2
139.07509	4.8
147.08073	3.7
149.05975	4.8
151.07538	35.8
151.14767	2.2
161.06009	3.3
165.05428	9.6
165.09114	11.6
167.07042	100.0
175.07520	8.3
175.11226	2.2
177.09109	6.2
179.07091	3.8
179.10670	4.1
181.08594	5.1
189.09132	10.7
191.10750	3.2
193.08589	8.0
203.10661	6.3
205.12299	3.0
207.10172	13.5
217.12201	4.3
221.11707	7.2
231.13805	2.7
235.13385	2.9
400.75360	1.9
403.35858	4.2
413.33963	6.5
431.35205	56.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.2907
Annotation	Unknow
Peak:m/z	Relative Intensity
53.60236	0.2
54.14737	0.2
55.05502	0.2
55.72060	0.2
57.00730	0.2
67.05502	0.5
69.03417	0.5
69.07066	0.4
69.57863	0.5
69.58271	0.6
70.06586	0.7
71.04977	0.2
72.08150	1.0
75.60577	0.2
79.05493	0.2
81.03410	0.5
81.07026	0.5
83.04961	0.4
84.08140	0.4
85.02890	0.6
86.09220	0.3
86.09709	3.4
87.00749	0.2
91.05471	0.2
93.07037	0.2
95.04993	0.2
97.02881	1.3
99.04455	0.2
103.05472	0.2
105.06964	0.3
107.08568	0.2
109.02905	0.3
109.10148	0.3
112.09994	0.3
119.04955	0.2
119.08580	0.3
123.04420	0.2
127.03864	0.3
136.07526	0.2
136.45735	0.2
137.02325	0.4
138.09044	0.2
143.08589	0.2
143.11813	0.3
145.04918	0.2
145.10150	0.2
148.84758	0.2
149.09679	0.3
149.10736	1.4
150.11514	0.4
159.11365	0.3
162.11536	0.5
163.03908	0.9
163.11113	0.3
163.12366	0.4
164.04175	0.3
164.09445	1.7
165.10229	0.5
173.13049	0.2
175.12311	0.5
179.11804	3.6
183.10117	0.4
189.13876	0.4
201.09145	0.2
203.15459	0.6
211.07458	0.2
215.15540	0.5
216.16203	0.4
229.08621	0.2
233.15366	0.5
245.18663	0.4
251.16447	0.4
269.17487	0.6
309.23190	0.3
325.22668	0.4
326.23474	0.3
381.25378	0.2
385.24698	0.5
399.26447	2.6
400.27219	7.9
401.23581	0.2
401.28345	1.7
403.13705	0.3
408.39328	0.2
431.19031	9.0
431.29056	100.0
432.18674	0.2
432.29340	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	431.2278
Annotation	Celerioside A
Peak:m/z	Relative Intensity
51.71512	0.8
55.05510	3.2
57.03428	0.9
59.05000	4.4
61.02902	1.6
67.05495	4.5
68.99123	1.0
69.03432	14.1
69.07055	3.8
70.06568	1.9
70.71400	1.8
70.71719	1.5
71.04994	4.9
72.28879	1.0
72.29375	1.0
73.02893	1.1
79.05495	2.7
81.03412	2.3
81.07064	6.9
83.04983	5.4
83.08621	1.1
85.02906	11.4
85.06495	1.1
86.09707	2.3
88.45702	0.9
91.05480	3.4
93.07059	6.2
95.05039	1.6
95.08613	5.2
97.02898	5.1
97.06536	1.4
97.10200	1.1
99.04470	1.1
103.03878	1.0
103.96165	1.0
104.46375	1.0
105.07030	5.5
107.08606	8.8
109.02888	1.3
109.06517	9.4
109.10153	14.9
110.07266	1.1
111.08073	3.3
117.07007	1.9
119.08611	7.5
121.06486	2.5
121.10131	12.8
123.08053	7.3
123.11691	2.5
125.09597	2.1
127.03931	1.5
131.08569	5.1
133.10144	6.2
135.08063	6.0
135.11694	4.2
137.09618	23.5
141.09106	1.2
143.08543	1.8
145.05075	0.9
145.10132	12.5
147.08047	3.3
147.11690	4.9
149.09621	8.5
151.03902	2.3
151.11188	3.8
157.10095	3.1
158.11047	1.4
159.08081	2.5
159.11702	2.5
161.09647	4.4
163.03944	1.7
163.11183	35.4
163.14865	2.0
164.07063	1.0
165.09094	3.5
165.10289	2.7
165.12759	2.0
170.66844	1.0
171.11722	1.1
173.09624	5.0
173.13248	6.5
175.03923	1.9
175.11221	4.7
177.09122	2.3
179.10674	3.9
181.12221	4.6
187.14799	9.2
189.12749	4.2
191.10629	1.8
191.14308	12.8
193.12300	6.0
197.11685	3.6
197.13303	1.4
205.15845	12.8
207.13853	5.8
209.15402	3.2
215.14296	14.9
233.15367	64.9
235.16745	1.0
239.07117	2.6
251.16429	72.8
269.17484	100.0
270.17682	1.8
295.95917	1.1
316.65671	1.1
368.86346	1.3
431.18872	71.0
431.29047	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	430.2284
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03194	1.3
57.03440	19.3
57.07073	16.5
59.04979	4.1
60.04534	1.2
61.02914	1.7
63.04490	21.4
67.05505	1.8
69.03430	66.0
69.38264	8.7
70.06570	1.5
73.02893	4.7
75.04472	1.5
81.03406	3.3
81.03912	1.3
84.04497	2.2
84.08113	1.2
85.02905	45.4
86.09692	3.4
87.04467	51.6
93.06997	1.1
95.08485	1.2
97.02892	56.1
98.21436	2.5
99.04460	2.0
103.92230	1.3
104.30623	1.1
109.02891	1.8
115.03929	79.1
119.04977	1.5
119.10692	100.0
123.04443	2.0
126.91420	1.0
127.03918	6.8
133.04965	75.0
137.21744	1.2
145.05003	5.5
147.04408	3.4
150.07578	6.7
161.11760	1.2
163.03905	2.1
163.06082	1.1
169.04984	1.3
177.05502	1.5
211.06042	1.1
211.84767	1.0
216.26416	1.2
229.06949	1.4
241.07124	1.7
251.14845	4.2
259.08228	2.9
281.15833	4.0
288.49615	1.4
303.04837	2.6
336.48889	1.3
430.21133	4.3
435.11005	1.2
451.33435	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	430.2588
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	0.2
55.05516	0.2
56.96572	0.3
57.03457	0.2
61.02929	0.3
65.03933	0.2
67.05499	0.8
69.03407	0.2
69.07029	0.2
70.06596	0.2
71.04986	0.2
71.52345	0.3
79.05503	0.5
81.03416	0.5
81.07046	0.5
85.02919	0.3
85.67317	0.2
91.03925	0.2
91.05481	0.5
92.05017	1.3
93.05818	0.3
93.07049	0.5
94.06572	4.1
95.04993	0.3
95.08613	0.5
96.04494	0.4
97.02894	0.5
97.06496	0.2
98.97536	0.2
105.07041	0.3
106.72328	0.2
107.04961	0.2
107.08595	0.2
109.10156	0.3
110.06038	2.4
116.98598	0.2
119.08580	0.4
121.06509	0.7
121.10141	0.3
131.08603	0.3
133.10077	0.2
136.06244	0.4
138.05507	100.0
139.05838	0.6
154.05009	0.3
157.10027	0.2
167.03410	0.2
174.04048	0.6
190.01704	0.3
192.13739	0.2
208.02776	0.4
235.13182	0.2
353.53250	0.2
389.22787	0.6
430.25790	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	430.1653
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01578	0.2
51.02374	0.4
51.19565	0.2
52.51196	0.2
53.03921	0.2
55.01868	0.4
55.05497	0.3
65.03937	0.6
67.05486	0.4
69.07069	0.7
78.03456	1.7
78.11400	0.2
79.05486	0.2
81.03409	0.4
81.07049	0.3
85.02930	0.2
91.05489	0.6
93.07041	0.4
95.08607	0.2
96.04497	100.0
97.02898	0.3
97.04833	0.4
98.20740	0.4
103.05461	0.4
105.07042	0.6
108.98462	0.2
109.02898	1.4
114.75916	0.2
115.05453	0.9
117.07022	2.9
119.04948	0.7
119.06039	0.3
121.02880	1.3
121.03972	0.3
128.06258	1.1
129.07028	0.7
131.04939	0.9
133.02837	0.4
133.06535	0.5
134.07257	0.4
136.07617	1.9
139.05415	0.2
145.06497	1.6
147.04485	0.4
147.11603	0.3
155.04958	0.4
155.06100	0.5
156.05708	0.4
157.06483	3.4
168.05736	0.7
171.04428	0.4
173.05994	5.1
184.05223	0.3
185.06053	0.4
197.05826	0.2
201.05482	5.4
209.09569	0.4
211.07802	0.2
229.07678	0.3
234.78442	0.2
237.09085	0.4
241.20308	0.2
265.08655	1.1
293.08115	4.4
331.17276	0.2
333.18988	0.5
335.12793	7.1
349.18643	0.5
430.16528	3.8
430.38791	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.3726
Annotation	alpha-Tocomonoenol
Peak:m/z	Relative Intensity
55.05496	3.1
57.07075	15.2
57.56814	1.2
57.64625	1.3
62.60185	1.1
67.05489	3.8
69.07066	3.5
69.36048	1.2
71.08628	10.0
71.44666	2.2
74.96348	1.1
81.07056	7.3
83.08617	2.7
85.10173	6.9
91.05464	3.4
91.77528	1.4
93.07025	2.5
93.33009	1.2
95.08604	5.6
97.10149	1.7
101.34876	1.3
105.07021	2.3
107.08590	5.6
109.10143	5.5
111.11732	1.4
112.42979	1.2
117.07026	1.7
119.08576	2.3
120.46129	1.0
121.10152	4.2
121.53757	1.2
123.11722	1.2
123.87872	1.2
123.96438	1.2
125.46789	1.1
131.08505	2.4
133.10150	2.2
135.08052	3.9
135.11693	2.3
137.09622	9.7
139.07497	2.4
145.10158	1.7
149.09615	12.3
154.64717	1.3
159.11690	3.8
163.11185	22.2
165.09105	100.0
173.09598	1.8
173.13158	2.2
175.07573	1.4
175.11165	5.2
176.08426	1.8
177.09081	11.5
177.12714	1.9
187.11171	4.0
189.12720	2.4
191.10637	10.7
201.12703	3.0
203.10738	1.9
205.12256	10.7
219.13824	4.3
233.15273	2.8
247.16833	1.6
275.19919	1.9
284.67426	1.3
289.21478	2.7
373.31131	1.7
401.34055	4.6
402.60614	1.5
411.36026	4.4
429.31744	8.7
429.37195	67.9
430.37839	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	429.3728
Annotation	alpha-Tocomonoenol
Peak:m/z	Relative Intensity
53.87827	0.5
55.05518	4.0
57.06796	1.0
57.07079	19.1
63.96478	0.6
67.05511	5.4
69.07068	4.4
71.08628	12.2
74.16471	0.6
79.05478	2.5
81.06646	0.7
81.07063	6.0
83.04947	1.2
83.08607	2.4
85.10199	5.3
91.05488	3.1
93.07027	1.8
94.20709	0.6
95.08611	6.6
97.10159	2.1
99.11768	0.8
103.37157	0.7
105.07027	2.2
107.08595	6.4
109.06499	0.7
109.10164	5.9
111.04442	1.4
111.11706	1.2
117.06973	1.0
119.08559	3.8
121.06495	0.9
121.10123	4.1
121.19936	0.6
122.07317	1.5
123.08081	1.2
123.11720	1.0
125.13303	0.7
131.08569	1.9
132.72035	0.6
133.10112	1.8
135.08072	6.6
135.11685	2.8
137.06012	1.1
137.09619	10.0
137.13304	1.0
139.07542	2.4
144.09377	0.8
145.10115	2.3
148.68074	0.6
149.09631	14.7
151.07539	0.9
159.08035	1.1
159.11702	2.9
161.09595	1.4
162.06865	0.8
163.07568	0.9
163.11191	22.0
165.09122	100.0
166.09454	0.8
172.08861	0.7
173.09621	1.9
173.13266	1.8
175.07512	1.0
175.11214	5.3
176.08325	1.4
177.09116	11.0
177.12672	2.9
179.10715	1.8
186.10461	1.1
187.11206	2.8
187.14871	1.0
189.09222	1.1
189.12759	2.6
190.09898	1.1
191.10655	10.6
201.12744	2.8
203.10698	1.7
203.14339	1.2
204.11417	1.3
205.12238	8.7
215.14322	2.1
219.13817	5.8
233.15327	2.7
247.16835	1.3
261.18506	1.3
275.20120	1.3
289.21622	2.5
303.23129	1.8
345.28287	1.2
353.85345	0.7
373.31000	0.8
401.34036	2.3
411.36111	2.9
414.35385	0.8
429.37289	52.2
430.37503	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.3726
Annotation	alpha-Tocomonoenol
Peak:m/z	Relative Intensity
50.47090	0.5
53.05387	0.5
55.05504	3.4
57.07076	16.8
64.29751	0.6
67.05503	5.6
69.03416	0.6
69.07066	3.8
71.08633	12.5
71.16675	0.9
79.05481	2.3
81.07054	8.3
83.01360	0.6
83.04958	0.7
83.08606	3.5
85.10178	5.6
91.05470	2.5
93.07031	2.5
95.08603	7.0
97.10155	2.5
105.07017	2.4
107.08588	6.0
109.10156	7.2
111.04431	1.1
111.11713	1.9
117.07001	1.0
119.08592	4.2
121.06539	1.0
121.10146	4.9
122.07299	1.1
123.08051	1.2
123.11730	0.9
125.13376	0.5
129.07033	0.6
131.08566	2.7
133.10114	1.3
135.08028	5.1
135.11668	2.1
136.08813	0.6
137.05991	0.7
137.09607	11.8
137.13255	0.7
139.07544	1.9
145.10132	2.5
147.11613	1.0
149.09619	15.4
149.13239	0.9
151.07570	1.4
157.10165	0.8
159.07986	0.6
159.11670	3.6
160.08818	1.0
161.06104	0.9
161.09598	0.8
162.06746	1.2
163.07603	1.2
163.11183	20.1
165.09109	100.0
173.09627	1.8
173.13261	1.9
175.11183	6.0
176.08284	2.1
177.09117	11.3
177.12755	2.3
179.10747	1.8
186.10434	1.3
187.11182	2.6
187.14861	1.2
189.09128	1.3
189.12755	2.0
190.09862	1.1
191.10669	12.2
191.14322	0.8
201.12758	3.5
203.10655	2.2
203.14322	2.0
204.11638	0.7
205.12231	10.7
215.14354	1.4
219.13753	6.0
233.15440	2.7
247.16881	1.7
261.18393	1.5
275.20074	1.2
289.21414	1.4
303.23227	2.3
308.37042	0.6
317.24854	0.9
331.26331	1.0
345.27588	0.9
359.29364	0.9
401.34119	2.4
411.36282	3.8
429.32321	2.4
429.37262	60.0
430.37775	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2122
Annotation	Macrocliniside F
Peak:m/z	Relative Intensity
53.03948	5.6
55.01880	12.7
55.05514	17.3
57.03440	28.4
61.02931	42.5
64.14418	2.2
65.03947	4.6
67.05508	39.5
69.03426	23.9
69.07066	6.6
69.52119	2.0
70.00646	11.0
70.06598	3.7
71.01353	9.5
71.04978	6.0
73.02924	18.0
78.06477	2.5
79.05490	35.6
81.03423	97.3
81.07054	26.6
81.78049	2.2
83.04969	10.7
83.08627	20.7
85.02908	47.1
86.09740	2.5
87.04486	4.2
87.05614	2.8
91.03960	18.6
91.05479	32.1
93.07053	29.3
94.88528	2.7
95.01334	4.5
95.04974	100.0
95.08622	15.2
97.02892	40.8
97.06533	7.2
97.10168	9.0
98.97576	2.3
99.04462	8.1
101.02387	6.0
103.03972	13.2
103.05471	4.2
105.03393	4.6
105.07040	26.4
107.04969	21.8
107.08593	20.7
109.02888	20.6
109.06533	9.2
109.10162	6.8
111.04457	7.1
111.08096	10.9
115.05409	2.7
117.05508	3.7
117.07020	12.6
119.04967	2.5
119.08585	21.5
121.02901	3.1
121.06521	16.2
121.10149	10.7
123.04434	53.4
123.08054	5.4
125.09652	9.3
127.03930	17.2
129.05525	3.1
129.07025	14.7
131.04938	8.0
131.08528	13.9
133.06488	9.2
133.10139	9.5
135.04391	6.3
135.08057	10.9
135.11676	12.5
137.05977	5.1
139.03957	4.7
142.07802	3.7
143.08546	7.1
145.04933	6.0
145.06508	6.8
145.10156	15.5
147.04453	14.2
147.08069	9.3
147.11693	12.9
149.09619	10.9
151.03952	2.4
153.09103	8.5
157.10156	10.5
159.11700	4.2
161.06000	6.4
163.03951	3.8
163.07520	4.4
163.11183	26.3
165.12801	2.4
167.07159	3.1
171.08144	3.4
171.11687	5.8
173.09636	7.9
175.07574	7.0
175.11230	9.9
177.05400	2.9
181.08620	3.5
189.05478	7.5
189.09131	3.6
189.11255	2.9
189.12784	13.1
191.10732	3.6
193.12273	39.0
199.11145	2.9
203.14394	2.5
205.12273	7.4
207.13835	11.2
211.13313	23.5
213.12762	3.8
217.12263	9.9
219.13954	2.6
223.13396	6.6
229.12286	3.4
231.13748	4.2
235.10945	4.9
235.13298	81.0
247.13377	7.4
249.14833	13.5
253.14432	7.2
255.13826	3.5
259.13373	18.2
265.08923	4.4
267.10345	4.3
267.15945	39.6
268.53101	2.7
271.18243	2.4
273.14835	36.5
277.14578	5.7
283.10150	3.5
283.13174	4.9
285.17078	2.9
289.14371	5.3
301.14374	30.7
309.16953	47.6
315.15887	2.9
319.15540	8.0
337.16492	5.8
351.18094	4.5
357.17154	3.6
363.18008	5.6
375.17993	31.8
393.19049	18.6
411.19971	16.1
429.21463	47.9
429.27316	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	427.3574
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	3.0
55.05513	10.7
56.28878	1.4
56.96556	3.1
57.07075	3.0
57.29492	1.2
62.06084	2.2
65.03947	1.2
67.05511	16.3
69.03442	1.9
69.07067	16.0
69.76076	4.0
69.76481	2.9
71.04985	1.3
79.05495	13.1
81.06590	2.4
81.07057	33.5
83.04970	1.7
83.08611	5.4
85.06544	4.6
91.05481	10.6
93.07044	28.1
95.04964	2.4
95.08608	62.5
96.20283	1.3
97.06525	5.8
97.10168	4.9
99.08047	1.8
101.06035	1.4
105.07034	32.9
107.08599	45.5
109.06511	4.0
109.09473	2.8
109.10159	34.2
111.08058	5.6
111.11700	1.8
117.07024	4.6
117.40978	1.3
119.07715	1.4
119.08584	30.8
121.10145	30.9
122.10435	1.5
123.08078	3.0
123.11697	10.1
125.09637	4.9
129.07001	1.6
131.08540	8.2
133.09126	1.8
133.10127	34.3
135.08076	1.8
135.11678	16.0
136.12024	1.3
137.09616	1.7
137.13226	2.8
143.08572	3.4
144.09340	1.9
145.10127	17.8
147.11700	24.8
149.09624	1.9
149.13286	14.3
157.10107	5.0
158.10764	1.3
159.11699	17.3
161.13263	21.5
163.11212	2.4
163.14828	17.0
171.11687	3.6
173.13252	11.1
175.14830	17.5
176.15219	1.2
177.12849	8.7
177.16396	32.5
184.07387	1.3
185.13310	3.5
187.14827	13.7
189.16388	37.3
191.14320	3.1
191.17957	68.2
192.18282	1.8
199.14862	2.4
201.16397	23.4
203.17969	100.0
204.18227	1.5
205.15932	2.6
205.19594	2.2
206.78430	1.8
207.08710	1.8
213.16371	7.7
215.17946	2.9
217.15849	5.1
217.19551	5.6
219.17435	15.2
231.17451	5.9
231.21024	3.7
237.18459	3.1
241.19432	1.8
249.18523	4.4
255.21046	1.4
257.22635	2.5
267.20963	1.7
285.25735	2.3
286.24588	3.7
299.27444	1.5
333.47617	1.4
351.30283	2.3
391.33606	6.8
409.34589	22.2
427.24741	1.8
427.30304	2.9
427.35690	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	427.1578
Annotation	Unknow
Peak:m/z	Relative Intensity
55.44796	0.3
56.96558	0.4
57.04559	0.4
67.05488	0.3
70.06584	0.7
77.00946	0.2
79.05531	0.3
83.04987	0.3
85.02891	0.3
94.04048	1.4
98.97578	0.4
101.77012	0.3
111.04482	0.3
123.04432	2.0
123.06677	0.6
133.05113	0.6
135.04430	0.8
139.03908	4.5
147.04483	0.4
150.07755	100.0
161.05925	0.3
163.03929	2.8
164.04292	0.3
167.03383	0.6
175.03934	0.3
177.05496	0.7
179.03395	0.4
189.05380	0.3
191.03419	1.0
193.04951	0.4
195.08757	0.4
201.05490	0.7
203.03401	0.9
207.08788	7.0
213.05444	0.3
229.04985	1.0
233.04477	0.7
245.04463	0.5
247.06116	0.5
253.09355	5.2
257.04572	0.8
259.06006	0.6
264.06653	0.3
271.05936	0.3
275.05582	1.5
282.12051	0.7
283.06021	0.6
287.05524	3.0
295.11499	24.0
296.11813	0.3
299.86185	0.3
301.07071	0.6
345.83224	0.3
409.08981	0.9
419.12354	0.3
427.14459	3.0
427.19556	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	427.1461
Annotation	Garenoxacin
Peak:m/z	Relative Intensity
51.15236	0.3
55.05488	1.4
57.08981	0.4
59.26957	0.4
62.08152	0.3
65.03920	0.9
67.05504	2.6
67.23018	0.4
69.03406	1.6
69.04527	1.3
69.26922	0.4
69.99472	0.8
69.99861	0.6
75.14819	0.4
81.04572	0.3
82.57873	0.3
83.04984	4.9
85.02887	1.3
93.03382	1.3
94.75276	0.4
98.21328	0.6
109.03934	0.4
111.04456	4.2
122.07154	3.2
124.08683	1.3
129.05457	0.6
134.07086	0.4
139.03905	0.9
146.64395	0.3
150.06628	18.4
163.09793	1.4
168.07730	0.5
194.07976	1.0
197.65694	0.4
207.08771	100.0
208.09222	1.0
209.10297	0.8
235.08295	2.0
253.09322	69.9
254.09738	1.3
275.01315	0.4
279.47986	0.4
288.92593	0.5
296.03943	0.4
381.13947	3.8
409.13568	3.9
427.14618	46.7
428.15076	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.1461
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	0.9
57.08979	0.5
65.03925	0.7
67.05480	1.5
69.03418	0.9
69.04540	1.2
69.79295	1.7
81.04544	0.5
83.04495	0.4
83.04975	5.5
85.02879	1.3
93.03384	1.0
95.04993	2.0
95.05475	0.4
108.05561	0.4
111.04435	2.9
121.02832	0.5
121.03983	0.4
122.07177	3.9
124.08698	0.9
129.05440	0.6
132.28265	0.4
134.07112	0.4
137.61607	0.4
139.03885	0.6
149.76143	0.3
150.06633	20.1
163.09770	1.1
168.07640	0.4
194.07990	1.1
207.08778	100.0
208.09154	1.1
209.10342	1.5
235.08252	1.1
253.09325	68.8
254.09720	0.8
259.09723	0.3
381.14072	2.3
409.13568	16.1
427.14627	32.4
428.15137	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.3778
Annotation	Pachysandienol B
Peak:m/z	Relative Intensity
55.05509	11.1
57.03441	2.9
57.07062	11.7
62.47874	2.9
67.05518	22.2
69.07076	27.5
71.08617	7.0
79.05488	18.7
81.07062	58.5
83.08617	13.9
85.10178	4.0
89.06037	3.0
91.05470	14.5
93.07054	43.1
95.08610	100.0
97.06557	3.0
97.10191	8.2
105.07037	36.7
107.08608	61.3
109.09484	4.6
109.10172	70.1
111.11762	4.4
113.00007	12.5
114.29798	2.8
117.07011	3.4
119.08588	38.3
121.10151	56.5
123.08102	2.9
123.11710	32.5
124.27653	3.0
125.09638	4.4
131.08556	2.8
133.10138	33.2
135.11690	38.5
137.13295	13.2
139.11221	4.0
145.10104	9.6
147.11691	24.5
149.02362	3.7
149.13257	56.7
159.11708	10.5
161.13269	33.9
163.14842	28.8
169.02606	19.1
171.11723	3.0
173.13269	11.8
175.14810	20.6
177.16380	20.0
179.14288	7.8
187.14833	12.8
189.16397	21.9
191.17949	64.3
201.16457	6.2
203.17989	27.8
205.19530	28.3
207.17387	5.0
215.18042	13.5
217.19540	37.7
221.18996	7.1
229.19623	7.7
231.21053	9.4
233.18999	19.0
235.20560	6.6
245.22649	11.0
247.20621	6.0
269.22498	3.2
271.24225	4.5
283.24200	3.4
313.27448	6.7
393.23923	5.9
397.38397	4.4
407.36691	23.0
425.21863	19.3
425.28320	10.3
425.38065	54.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.3779
Annotation	Pachysandienol B
Peak:m/z	Relative Intensity
52.10389	5.9
55.05517	16.6
57.07075	14.8
67.05503	34.4
69.07075	69.2
70.08051	25.9
71.08621	6.6
71.45762	7.7
79.05482	21.3
81.07059	93.7
83.08621	14.5
89.06036	12.2
91.05462	30.3
93.07050	63.3
95.08612	100.0
97.10178	8.1
103.41730	6.6
105.07036	33.1
107.08601	81.2
109.10157	91.2
111.11732	8.3
119.08607	45.5
121.10154	72.9
121.57213	6.5
123.11716	41.5
125.09609	8.9
131.08624	10.4
133.08620	9.3
133.10136	25.6
135.11688	47.0
137.13251	19.9
145.10126	19.5
147.11711	34.1
149.13255	49.4
157.10165	7.5
159.11703	22.5
161.13269	24.5
163.14857	21.7
173.13266	12.5
175.14824	19.0
177.16429	29.2
185.13277	6.2
187.14900	17.0
189.16389	22.8
191.17963	24.5
201.16412	14.0
203.17995	25.2
215.18077	11.5
217.19565	19.1
229.19615	16.4
231.21165	9.5
239.14899	8.3
329.25406	6.7
407.36829	13.2
425.37943	84.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.3417
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	3.4
55.05519	18.9
56.96568	3.6
57.03449	3.2
57.07057	3.5
67.05511	31.5
68.05826	2.7
69.03434	3.7
69.07083	14.2
71.04996	3.3
79.05492	18.9
79.64865	2.3
81.07057	48.1
83.04996	5.3
83.08617	8.9
85.02889	4.1
85.06504	2.7
91.05486	26.2
93.07052	41.9
95.04967	4.6
95.08611	80.9
97.06545	8.2
97.10186	6.0
105.07031	45.9
107.08594	67.8
107.09316	4.7
109.06546	4.1
109.10154	53.2
109.10840	4.3
109.46201	2.3
110.10523	2.5
111.08096	7.4
117.07047	9.0
119.08583	55.0
121.06543	2.5
121.10154	44.4
123.08070	5.5
123.11714	13.7
125.09631	5.8
125.60645	2.3
129.07007	3.3
131.08551	25.5
133.10132	42.2
135.11668	20.5
137.13266	5.6
143.08591	9.0
145.10127	37.3
147.11696	26.8
149.13281	22.4
151.11136	6.2
155.08531	3.3
157.10175	13.4
159.11722	25.5
160.12064	3.0
161.09662	3.1
161.13240	21.3
163.03941	4.8
163.11124	3.3
163.14841	27.1
165.12747	2.8
169.10204	5.4
170.10974	2.5
171.11723	10.5
173.13210	16.3
175.11201	3.4
175.14861	24.4
177.12823	2.5
177.16386	9.9
179.14339	3.7
181.12239	4.1
183.11763	5.1
184.07411	5.2
185.13278	10.1
187.14825	38.7
189.12700	4.4
189.16420	34.9
191.14339	8.0
191.17969	5.6
197.13309	2.8
199.14862	10.0
201.16400	30.1
203.17946	21.4
205.15919	2.6
211.14819	7.6
213.16495	7.1
215.17961	20.4
217.15938	5.0
217.19463	5.0
219.17413	3.3
223.14897	2.2
225.16466	5.5
227.18018	4.6
229.19553	18.4
235.17140	4.0
239.17963	4.0
241.19554	8.1
243.21074	4.9
247.08023	2.8
249.18643	2.9
253.19527	8.0
255.21080	10.1
257.22565	4.0
267.21146	2.6
269.22937	3.6
275.20209	3.4
281.22632	3.6
349.28943	9.7
389.32059	8.1
391.24826	5.1
407.33118	32.8
424.49792	2.6
425.28241	5.8
425.34122	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	425.3419
Annotation	4,4'-Methylenebis(2,6-di-tert-butylphenol)
Peak:m/z	Relative Intensity
55.05507	15.8
57.03429	3.1
57.07080	3.6
64.82174	2.3
67.05508	38.4
69.07072	15.7
69.93609	3.4
69.93948	11.3
71.08614	2.6
79.05492	25.5
81.07059	63.6
83.04966	2.8
83.08603	10.7
85.06525	3.1
86.09687	3.3
91.05482	25.4
93.07044	44.5
95.04953	7.2
95.08614	93.5
97.06525	7.4
97.10175	6.0
105.06400	4.1
105.07045	53.0
107.08594	71.6
108.08942	3.7
109.06502	5.6
109.10167	58.6
111.08073	7.3
117.06996	9.7
119.08591	71.0
120.85673	2.8
121.10153	59.0
123.08066	6.1
123.11702	18.0
125.09616	8.8
129.07011	6.7
131.08585	31.3
133.10136	50.2
135.11691	27.9
137.13237	3.9
143.08546	12.8
145.10126	45.0
147.11699	39.4
149.13275	27.4
151.11156	6.1
157.10101	14.0
158.10849	4.3
159.11696	35.5
161.09555	5.3
161.13277	26.0
163.03894	6.3
163.11154	3.4
163.14813	23.1
167.10728	3.4
169.10258	3.7
171.11684	10.5
173.13266	22.5
175.11212	3.9
175.14827	33.3
177.12770	4.1
177.16356	17.4
181.12228	2.8
183.11697	6.1
184.07384	9.2
185.13277	12.3
187.14838	43.2
189.12727	4.7
189.16393	35.7
191.14378	5.7
191.17940	9.0
195.11601	2.8
197.13335	3.7
199.14911	7.0
201.16354	29.6
203.14236	3.1
203.18002	23.0
205.15796	5.7
207.17403	3.2
209.15343	4.0
211.14848	3.1
213.16389	12.7
214.88551	2.7
215.17970	26.5
217.15833	6.0
217.19485	5.8
219.17496	5.9
223.16872	4.4
225.16473	5.3
227.17972	8.8
229.19560	13.1
233.19095	3.3
239.17926	4.1
241.19621	8.9
243.21106	3.8
247.16908	3.4
253.19460	6.1
255.21077	12.9
257.22787	6.3
259.20529	3.9
267.20984	3.7
275.20193	2.9
281.22699	3.4
293.22672	3.9
295.24136	3.9
311.23715	4.6
319.27151	3.5
329.24826	5.3
349.28830	10.2
389.31989	9.3
391.24622	3.4
407.24396	3.7
407.33063	33.7
425.28192	6.9
425.34109	100.0
444.12152	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	425.3418
Annotation	4,4'-Methylenebis(2,6-di-tert-butylphenol)
Peak:m/z	Relative Intensity
51.02366	2.9
51.59904	1.8
53.03947	4.1
55.05309	1.8
55.05515	20.0
57.03427	3.0
57.07065	4.0
58.93055	2.1
65.03937	3.0
67.05510	34.7
69.07073	18.4
70.63738	3.8
70.64071	4.0
71.04986	3.2
76.38589	1.7
79.05490	29.1
79.45399	2.2
81.03411	2.1
81.06588	3.3
81.07059	59.4
82.07399	2.7
83.04984	2.4
83.08619	10.9
85.02888	2.3
85.06538	7.7
86.09707	4.7
86.34637	1.8
91.05473	35.0
91.06017	2.3
92.05804	2.7
93.06487	4.0
93.07052	75.8
94.07406	3.1
95.04974	5.7
95.08614	71.8
96.08986	1.8
97.02887	2.0
97.06528	5.7
97.10166	6.1
99.08096	15.5
105.07039	84.3
107.04944	8.4
107.08600	86.3
108.08946	2.4
109.06513	6.4
109.10165	48.5
110.10474	2.7
111.08089	9.3
115.05419	3.1
117.07023	8.6
119.08591	97.4
120.08956	4.1
121.09331	3.7
121.10151	47.4
123.08056	3.0
123.11712	16.3
125.09622	4.2
128.06169	2.5
129.06937	5.4
130.07794	2.5
131.08571	44.5
133.10144	66.4
135.08035	6.0
135.11700	34.6
136.12053	3.1
137.13283	3.8
142.07813	3.2
143.08580	14.3
145.10133	45.8
147.08054	2.6
147.10516	4.9
147.11694	100.0
148.12057	2.7
149.09668	3.0
149.13283	47.0
151.11203	2.5
155.08595	5.5
157.10121	17.6
158.10867	2.7
159.10455	3.7
159.11703	47.0
161.09688	3.7
161.13258	30.6
163.11143	3.9
163.14832	20.8
165.12820	2.1
169.10156	7.9
171.11690	17.9
173.11870	2.2
173.13283	28.3
175.11192	2.3
175.14877	23.0
177.12761	3.5
177.16382	20.2
179.14305	2.5
181.10002	2.1
183.11703	5.5
184.07446	3.1
185.13252	13.6
187.14825	52.9
189.12807	2.7
189.16435	21.9
191.14278	2.9
191.17992	3.5
197.13269	7.5
199.14851	13.5
201.16399	45.0
203.14374	8.3
203.17964	23.0
205.15869	19.6
207.17488	3.2
209.13359	2.3
211.14824	8.2
213.16393	11.9
215.17947	6.6
217.15881	8.8
217.19554	4.8
219.17451	11.1
221.19199	3.1
225.16408	5.5
227.12804	2.4
227.17870	11.4
229.07462	2.3
229.19604	2.8
231.17430	5.5
232.38844	2.0
233.18904	2.6
237.16464	3.3
239.17969	4.2
241.19556	4.6
245.19118	9.7
253.19550	4.0
255.21086	4.1
257.18777	2.5
271.20679	3.4
273.21948	2.7
279.21060	2.8
285.10294	2.3
285.22171	3.4
295.24255	3.7
311.23419	2.4
335.27310	5.6
337.25369	2.2
349.28992	7.9
351.26770	2.0
353.28448	8.5
367.29993	48.1
389.32025	5.4
397.34747	3.1
407.33078	36.1
425.25012	6.4
425.34116	92.7
426.34302	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.3414
Annotation	4,4'-Methylenebis(2,6-di-tert-butylphenol)
Peak:m/z	Relative Intensity
52.86755	1.6
53.03944	4.5
55.05510	16.3
57.07078	4.2
60.08149	3.2
60.50370	1.8
63.38132	1.7
65.03920	2.2
67.05511	34.4
69.03416	2.1
69.07068	20.3
70.86315	4.0
70.86649	2.4
71.05016	2.3
79.05499	24.0
81.07061	68.1
83.04990	4.4
83.08633	10.6
86.09726	5.4
87.47894	1.8
89.66895	1.8
91.05482	22.4
93.07043	41.5
95.04966	4.6
95.08609	100.0
96.86137	1.8
97.06559	5.1
97.10168	9.3
103.23238	1.7
104.10760	10.2
105.07037	46.2
105.11118	2.6
107.08600	61.6
109.06535	3.5
109.10164	49.6
111.08101	5.7
113.09680	3.1
116.05264	1.9
117.07034	5.9
119.08585	55.3
121.10149	46.4
123.08054	7.2
123.11699	15.6
125.00003	2.7
128.06255	2.6
129.07019	3.4
131.08560	20.0
133.10133	40.8
135.08073	9.9
135.11693	25.2
137.09665	3.4
137.13260	9.5
143.08586	7.4
143.24881	2.1
145.10112	30.7
147.08087	2.7
147.11691	30.8
149.09636	4.7
149.13261	29.0
151.07556	2.9
155.08643	3.2
157.10127	15.7
158.10869	2.1
159.08110	2.0
159.11699	24.4
161.09608	2.7
161.13260	23.4
163.11218	7.1
163.14824	25.3
165.12947	1.8
165.16374	2.0
169.10201	3.3
171.11668	11.4
173.13269	17.7
175.11237	5.0
175.14838	31.0
177.12737	3.5
177.16397	23.6
181.10027	1.9
183.11723	3.0
184.07399	6.7
185.13297	7.2
187.14838	30.3
189.12819	4.0
189.16400	35.1
191.14401	2.3
191.17986	15.0
199.14885	8.7
201.16405	14.5
203.14394	10.3
203.17964	47.4
205.15912	8.1
205.19611	3.9
211.14943	3.0
213.16414	7.3
215.14459	3.7
215.18016	8.0
217.15936	7.2
217.19533	4.1
219.17464	4.4
221.15422	6.3
225.16415	2.2
227.17992	10.6
229.19579	8.4
231.17590	3.5
231.21225	2.8
233.19209	2.2
235.17061	3.1
239.18039	2.9
241.19576	7.3
243.21133	2.3
245.19083	2.6
249.18486	2.4
255.21164	4.2
261.18610	3.2
273.18411	9.9
283.24341	3.3
287.20227	6.5
301.21823	2.7
311.23749	2.4
329.24649	2.3
351.30637	7.3
352.12488	2.2
379.33688	3.5
389.32059	5.6
395.33179	4.0
397.35342	2.2
407.33020	19.2
425.25961	4.0
425.34229	94.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.3415
Annotation	alpha-Tocotrienol
Peak:m/z	Relative Intensity
53.03945	4.0
55.05511	14.9
56.22699	2.5
56.96557	3.6
57.07085	5.8
59.82218	2.5
67.05510	30.6
69.07068	20.4
69.62476	2.4
69.68571	14.6
71.89219	2.3
76.91364	3.0
79.05489	22.5
81.07059	74.5
83.08620	9.7
91.05464	18.3
93.07045	48.8
93.91236	2.4
95.04975	2.6
95.08607	76.5
97.10178	5.3
103.57449	2.6
105.07038	35.5
107.08596	58.2
109.10158	56.6
111.08125	3.7
117.07047	3.7
119.08588	45.4
119.09367	4.0
121.10139	47.2
123.08037	3.1
123.11713	45.6
130.07910	2.7
131.08592	11.3
133.10136	39.6
135.11699	60.0
137.13206	6.4
145.10092	16.2
147.11656	28.2
149.09712	2.9
149.13280	13.4
157.00679	2.6
157.10141	7.7
159.11658	14.4
161.13251	19.5
163.14798	21.0
165.16435	8.0
171.11662	4.2
173.13255	17.2
175.11171	3.6
175.14819	25.0
177.16376	57.4
177.17828	3.8
179.22282	2.7
184.07320	4.0
185.13257	5.5
187.14847	7.0
189.16388	72.6
189.18112	3.7
191.17987	25.1
199.14943	4.2
201.16449	13.7
203.14337	3.8
203.17975	45.8
205.19527	4.6
213.16415	7.1
215.17978	31.2
217.19557	5.5
221.15335	3.5
229.19681	3.0
231.21037	3.4
235.17027	6.2
240.04782	2.8
241.19539	8.8
243.21083	17.9
247.16927	6.3
249.18503	9.5
255.21207	9.2
257.22617	6.1
261.18484	29.9
265.99503	2.6
267.93314	3.0
269.22696	3.6
283.24124	3.4
287.20001	4.7
289.18506	3.1
289.21439	14.0
301.21667	7.4
303.23096	3.5
315.23233	5.7
379.33527	15.2
407.33191	7.2
425.34189	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	425.3223
Annotation	Unknow
Peak:m/z	Relative Intensity
53.41662	1.4
55.05511	3.0
57.07080	100.0
58.04214	1.6
59.05005	23.1
67.05504	3.4
69.07082	2.7
70.33807	6.4
71.08636	92.7
72.05766	2.4
81.07072	2.1
83.08630	4.3
85.10186	77.5
87.04472	7.7
89.06018	3.7
90.01930	12.8
95.08615	2.8
97.10198	2.8
99.11738	15.7
107.08609	1.9
109.10158	2.4
113.13290	2.7
117.09141	4.0
133.08598	2.0
136.19098	1.6
141.16408	3.1
148.30838	1.7
155.17973	8.2
196.08125	2.4
197.04633	1.4
199.20613	6.3
213.22105	7.8
257.24817	3.3
357.79999	1.5
408.29660	2.2
425.21283	4.5
425.32999	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	425.1784
Annotation	Unknow
Peak:m/z	Relative Intensity
60.44662	0.6
60.56869	0.6
67.05473	0.6
69.07053	1.3
70.70635	0.7
70.70979	1.5
79.05478	1.5
81.07064	4.9
82.15495	0.5
93.07011	0.9
95.08591	2.4
97.02881	0.8
101.00854	2.5
105.06995	0.6
119.01919	1.8
143.01949	1.6
157.03432	0.8
161.02921	1.9
165.09149	0.7
168.99725	0.6
182.60506	0.6
185.02901	1.0
187.00848	2.0
188.18234	0.7
201.03728	1.6
203.05344	1.4
227.05234	1.7
229.01871	1.5
243.04771	11.5
245.06357	7.6
271.04297	1.4
273.03909	1.0
287.03738	84.7
289.05301	67.0
304.57712	0.6
377.56052	0.6
381.18988	5.9
425.17831	100.0
426.18118	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.1141
Annotation	Unknow
Peak:m/z	Relative Intensity
69.84483	2.9
81.03419	0.8
82.99422	1.0
82.99799	3.6
85.89395	0.5
88.26073	0.6
94.99831	1.0
97.02864	0.8
101.00884	18.8
109.02886	1.2
109.78730	0.6
113.00869	5.2
115.02445	0.8
119.01923	17.4
127.02419	4.2
131.01913	6.3
133.03474	1.4
139.02380	1.5
143.01900	38.6
144.02031	1.1
145.03468	9.5
146.03542	0.8
149.02957	1.0
155.01891	16.3
157.03455	6.2
161.02959	38.7
167.01909	11.1
169.03419	3.8
171.05049	1.9
173.02975	15.0
175.04529	1.7
179.01880	4.8
184.04526	0.7
185.02959	32.3
187.04550	4.0
191.04027	3.6
192.01595	0.6
197.02972	12.7
203.04027	13.9
208.04649	0.8
209.03046	1.3
215.03967	5.9
221.05048	0.8
227.04028	7.4
233.05196	0.7
239.03844	1.2
245.05080	100.0
246.05339	2.2
257.05060	4.9
263.06140	25.3
275.03149	0.7
275.06088	15.1
276.06204	0.6
293.07135	2.5
305.07147	9.8
335.08264	3.8
365.09299	8.6
425.11438	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	424.2846
Annotation	Antibiotic BE 14106
Peak:m/z	Relative Intensity
53.03939	1.2
54.79900	1.1
55.05503	5.0
56.95034	1.0
56.96562	2.9
57.03436	1.3
57.07074	2.6
57.36381	1.1
59.04971	1.3
61.02927	1.8
67.05503	8.9
68.05022	10.5
69.03452	2.8
69.07063	5.1
69.34861	3.7
69.35287	5.4
70.06593	21.3
71.04987	1.2
79.05491	13.4
80.05012	4.5
81.03419	1.8
81.07052	12.8
82.06574	5.7
83.08616	2.8
84.04530	1.5
84.08148	1.3
85.02929	1.2
91.05481	18.1
93.07043	17.6
95.04971	8.8
95.08605	9.0
96.08132	4.9
97.02927	2.1
97.06572	2.5
98.06033	1.9
98.97585	4.2
100.07616	14.2
103.05482	1.3
105.07030	29.6
107.08598	14.4
108.08129	5.1
109.06502	2.1
109.10143	6.3
112.99131	1.3
114.05547	9.3
115.05485	1.6
116.07088	2.5
116.98665	2.2
117.07020	8.8
119.08575	27.6
120.08105	3.9
121.06508	2.3
121.10143	7.8
122.09676	2.2
123.08067	1.5
123.11698	1.7
126.09171	1.9
127.04016	1.1
128.06227	2.5
128.07062	15.5
128.07947	1.1
129.07013	5.3
130.07837	2.4
131.08578	18.9
133.09183	1.8
133.10112	12.5
134.09613	2.5
135.08055	3.9
135.11719	5.1
139.11266	1.4
141.06956	1.9
142.07719	2.6
142.08711	6.6
143.08563	12.6
144.09314	1.9
145.10126	20.0
146.10542	1.8
147.08078	1.2
147.11667	6.9
148.11162	9.1
154.08630	27.6
154.09822	1.6
155.08583	3.5
156.09338	3.4
157.10117	11.8
158.09773	1.4
158.10988	2.9
158.99727	1.3
159.11713	7.0
160.11218	3.0
161.13301	2.7
162.12816	1.7
163.03975	2.5
164.07137	3.6
167.08572	1.5
168.10236	9.4
169.10146	6.8
170.99704	1.7
171.11681	7.3
172.11215	2.0
173.13274	11.4
174.12805	3.2
175.03967	2.6
175.14935	2.6
176.04283	2.2
178.08704	4.6
181.10123	1.5
183.11693	4.8
185.13304	3.0
186.12868	1.5
187.14786	4.1
188.07185	1.5
190.68311	1.2
192.10263	2.4
194.11833	16.8
195.11784	1.9
197.13307	2.8
199.14809	5.3
199.27289	1.1
201.16472	2.6
203.05244	1.8
207.11775	1.6
209.13260	5.3
216.10161	2.6
217.15929	2.6
218.11784	5.3
219.01772	1.4
219.12456	2.1
220.13339	4.4
223.14821	1.6
230.11798	1.4
232.13426	2.3
235.14766	1.3
249.16431	1.1
251.66718	1.3
259.08820	1.2
265.19583	3.1
267.09293	1.6
269.10864	1.7
270.14804	1.8
271.06241	1.9
272.06415	2.5
273.03909	1.6
274.04413	4.6
276.16061	1.6
284.16467	2.2
285.10272	1.4
286.18088	2.6
302.17548	2.2
304.05368	2.5
309.22516	1.2
314.21048	10.7
328.05515	1.4
330.20840	1.2
332.22183	94.2
367.18130	1.5
406.27454	14.9
424.16293	1.9
424.28589	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.3623
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	14.5
57.07077	16.7
58.07378	2.9
59.04987	5.2
67.05228	2.6
67.05505	27.8
69.07072	23.1
70.45380	2.9
71.08617	8.2
74.15996	2.8
79.05474	12.0
81.07056	55.6
83.08615	8.3
85.10193	6.5
89.06055	3.1
91.05490	15.6
93.07054	29.8
95.08617	59.5
97.10155	6.1
98.57256	2.5
99.08058	3.1
105.07047	30.0
107.08593	44.5
109.06493	5.3
109.10160	100.0
111.11765	3.6
117.06975	2.9
117.09118	3.2
119.08571	34.7
121.10141	36.6
123.08080	15.1
123.11706	13.8
125.09631	3.6
127.11182	3.1
131.08562	8.3
133.10133	25.2
135.08014	5.6
135.11679	23.0
137.13251	6.1
143.08551	5.8
145.10114	15.0
147.11703	30.1
149.09619	4.5
149.13260	15.0
154.48309	3.2
157.10118	4.3
159.11694	16.5
161.13257	20.7
163.11153	6.9
163.14830	7.2
165.12794	4.3
171.11664	4.1
173.13248	10.3
175.14764	12.8
177.12775	6.0
177.16408	6.6
179.14331	6.6
183.11771	3.9
185.13268	7.1
187.14810	10.3
189.16422	16.8
191.17953	5.7
199.14807	5.0
201.16351	12.3
203.17978	48.6
205.15912	10.5
207.17477	2.9
213.16441	3.4
215.17822	8.4
217.19583	28.7
227.17886	4.0
255.21071	4.2
269.22479	5.1
271.06033	8.2
273.03690	3.5
279.03857	2.9
283.24097	4.2
315.26920	3.2
331.26279	10.3
367.29727	3.5
386.98984	3.8
405.35205	12.2
423.10345	3.6
423.30984	32.3
423.36188	99.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.326
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.3
55.01864	1.7
55.05508	8.9
56.96553	5.2
57.03419	2.2
57.07075	2.7
61.02918	2.6
65.03917	1.2
67.05505	20.9
69.03419	3.1
69.07069	8.6
71.04997	1.6
73.02917	2.4
79.05494	15.2
81.03447	2.6
81.07055	30.7
83.04982	2.0
83.08615	4.7
85.02900	2.7
85.06525	2.2
87.38436	1.2
91.05475	17.4
93.07053	28.9
95.04945	3.2
95.08611	36.8
97.02881	1.5
97.06532	3.8
99.08110	5.6
101.02381	1.9
105.07034	32.7
107.08598	39.3
108.08913	1.6
109.06502	3.4
109.10157	22.3
111.08074	3.2
115.05429	1.7
117.06987	7.5
119.08581	47.0
121.06498	1.6
121.10137	26.7
123.08089	4.2
123.11696	8.0
125.09641	3.8
129.07008	5.0
130.07780	1.6
131.08566	24.8
133.10118	24.8
135.08076	2.1
135.11705	15.3
137.09605	2.5
139.11142	1.4
141.07042	1.8
142.07793	3.4
143.08562	14.3
144.09283	2.1
145.10126	36.3
147.11687	29.1
149.09615	4.1
149.13277	13.5
151.11116	1.4
155.08583	5.3
156.09338	2.9
157.10123	20.2
158.10913	1.8
159.11700	27.1
161.09656	1.6
161.13243	17.9
163.11191	2.5
163.14838	6.4
165.12773	1.4
167.10606	1.7
169.10127	10.0
170.10910	2.5
171.11687	21.9
173.11792	1.5
173.13268	24.6
175.03975	1.9
175.14838	13.0
176.15076	1.5
177.12782	1.8
177.16364	6.1
179.10629	1.3
181.10077	2.5
182.11000	2.0
183.11678	11.6
184.12424	1.5
185.13269	17.1
187.14825	33.3
189.12866	1.8
189.16420	6.0
191.14365	1.8
193.12109	1.2
193.15886	1.5
195.11723	4.8
195.13768	2.5
197.13235	9.9
199.14804	17.5
201.12679	1.5
201.16368	19.0
201.18030	1.7
203.14325	3.4
203.17987	3.9
205.15938	2.8
207.11653	1.5
209.13264	4.9
211.14867	7.8
213.16383	38.1
213.18373	2.6
215.14371	1.9
215.17992	4.2
217.15852	3.4
223.14859	4.6
225.16388	9.1
227.17989	12.4
229.15997	2.2
229.19511	2.2
231.17484	2.7
235.14789	2.6
237.16393	3.9
239.17926	8.7
241.19481	2.6
243.17480	3.5
251.17960	4.7
253.19537	7.6
255.17139	1.7
255.21013	3.3
257.04520	3.0
257.19040	3.1
263.18109	1.7
265.19724	2.9
267.09158	3.2
267.20947	1.7
268.09369	1.8
269.10718	4.6
269.19241	2.2
270.11005	2.7
271.06039	6.4
271.20621	1.7
273.03937	11.8
277.19507	2.9
279.21039	1.4
283.20578	4.1
285.03809	2.5
285.10178	1.9
287.11722	2.2
293.22775	3.1
299.05530	3.6
303.04883	8.7
305.22653	2.2
307.23877	1.4
313.07126	1.2
317.22693	1.9
321.25824	2.7
327.05090	4.2
333.25943	2.1
335.23764	1.8
339.05017	2.7
339.75140	1.2
347.27463	4.1
349.29346	2.2
351.26840	5.7
356.66867	2.8
357.06073	3.1
357.16922	1.4
365.16107	1.6
365.28415	6.7
366.17007	1.4
377.32159	1.7
387.07156	2.3
387.30353	6.9
405.26047	1.8
405.31506	34.5
423.10330	2.0
423.28369	5.0
423.32611	100.0
424.33072	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.3256
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.7
55.01886	1.7
55.05313	1.1
55.05510	12.0
56.96561	3.8
57.03433	2.6
57.07074	3.3
61.02906	2.0
67.05507	37.0
67.78440	1.1
69.03432	2.3
69.07070	18.4
71.04989	2.6
71.08599	1.3
71.52911	1.7
73.02905	1.6
79.05497	15.8
81.03410	2.1
81.06590	2.2
81.07062	44.0
83.04957	1.9
83.08626	8.4
85.02872	3.9
85.06510	1.4
86.09706	2.4
91.03954	1.6
91.05483	17.4
93.07050	29.3
95.04981	1.9
95.08611	55.4
97.02888	2.2
97.06541	2.6
97.10163	3.2
105.07032	31.6
107.08595	37.7
109.06504	3.1
109.10160	35.3
111.08069	2.7
117.07015	5.1
119.08586	60.2
121.06519	1.6
121.10143	28.1
123.08089	2.1
123.11707	8.4
125.09659	1.8
127.03905	2.0
129.06973	3.2
131.08568	25.3
133.10141	32.1
133.36366	1.2
135.11699	12.8
137.09547	1.4
143.08565	7.7
145.06570	1.3
145.10127	46.3
147.11678	19.7
149.13264	16.8
153.09087	2.6
157.10143	7.0
157.76537	1.2
158.10933	1.7
159.11697	28.5
161.09608	1.5
161.13255	23.9
163.14839	24.5
169.10135	5.8
171.11687	5.4
172.12492	2.0
173.11775	4.3
173.13226	34.0
175.14822	36.5
177.16391	13.9
177.83803	1.2
179.14316	4.8
183.11697	3.4
184.07356	1.7
185.13223	6.5
187.14830	35.8
189.16379	46.5
190.87311	1.2
191.17944	2.1
195.13789	2.5
197.13263	1.9
199.14888	7.2
201.16386	52.1
203.17961	22.4
205.19550	1.5
213.16345	7.8
213.63556	1.4
215.17963	15.9
221.15349	4.5
225.16356	1.8
227.17950	3.9
229.07503	2.9
229.14407	1.8
229.19522	13.2
233.15320	2.0
235.16867	2.4
239.17990	8.8
241.19569	9.4
243.09079	1.7
243.21237	3.0
247.16853	6.4
249.18468	3.8
253.19518	3.9
255.21040	1.9
257.04526	2.8
261.18555	4.5
267.09106	1.6
267.20944	1.9
271.05988	12.7
273.03931	17.7
281.22656	3.7
285.18454	10.8
299.05359	2.2
299.20139	2.5
303.04980	8.6
307.24207	2.4
315.23163	1.4
323.05463	1.8
327.04990	4.7
339.04977	1.9
351.04745	1.9
353.24838	1.4
357.05984	2.6
369.06012	1.9
377.32037	29.0
378.32455	1.3
381.27850	1.8
405.31223	3.0
423.10474	3.4
423.27231	15.4
423.32532	100.0
424.33197	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.3105
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	7.9
57.07062	3.2
65.59924	1.8
67.05511	15.3
69.07076	12.0
71.04980	3.5
71.51779	1.5
71.52216	2.1
75.73547	1.5
79.05492	11.0
81.07059	27.5
83.04984	4.5
83.08611	6.2
85.06545	1.9
85.66109	1.7
89.06017	2.2
91.05486	8.6
93.07053	16.0
95.08604	28.7
95.33241	1.6
97.06554	3.3
97.10173	1.8
102.53615	1.7
105.07027	9.3
107.08601	18.7
109.06537	10.3
109.10173	15.9
111.08056	2.1
117.07074	2.3
119.08582	16.9
121.06503	2.1
121.10132	14.2
123.08073	45.0
123.11695	6.4
125.09588	1.9
131.08597	4.6
133.10129	7.9
135.08047	7.8
135.11665	8.8
137.09644	2.1
143.08563	2.6
145.10117	7.8
147.11664	7.6
149.09602	3.8
149.13258	6.5
151.11150	3.2
157.10208	3.3
159.11673	11.1
161.13255	4.2
173.13268	6.6
175.14876	4.6
177.12775	5.6
177.16396	3.2
179.14322	12.8
185.13351	2.2
187.14798	3.2
191.17928	1.8
199.14772	2.5
201.16457	4.3
203.17902	3.2
229.19377	2.3
242.43451	1.7
257.22705	2.4
263.20175	1.9
271.06036	5.2
273.04001	4.8
275.20117	5.8
296.10190	4.6
299.05807	1.8
303.04974	3.0
303.26825	4.1
331.26294	30.1
332.26614	2.2
367.24713	2.1
405.34842	2.9
417.72128	1.7
423.31113	100.0
423.36295	12.5
424.22723	1.9
424.31439	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.3105
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	0.9
55.01863	1.6
55.05316	0.9
55.05517	9.1
57.03425	2.9
57.07063	2.7
65.03905	0.7
67.05181	1.2
67.05511	14.4
69.07072	15.4
69.41366	1.7
69.41769	4.6
71.04984	3.2
71.08633	1.7
72.08134	0.8
75.04462	0.8
79.05490	7.9
81.06589	1.4
81.07060	24.2
83.04994	1.8
83.08636	5.5
86.32255	1.1
91.05492	7.6
93.07044	16.6
95.04987	1.0
95.08609	26.3
97.06526	2.0
97.10166	3.0
98.20812	1.6
99.08107	1.3
103.44799	0.7
103.45551	0.7
105.07041	12.2
107.07874	1.3
107.08602	20.7
109.06531	9.6
109.10162	23.7
111.08090	3.1
111.11735	1.1
116.54366	0.8
117.07030	2.3
119.07814	1.4
119.08593	19.9
121.06507	0.8
121.10149	16.1
122.07339	0.7
123.08074	43.2
123.11700	6.7
125.09669	1.7
127.11195	4.1
131.08577	4.6
133.10139	16.8
135.08084	8.3
135.11713	10.4
136.81595	0.7
137.09639	4.1
137.13232	2.9
143.08504	3.1
143.78964	0.8
144.09265	0.7
145.10132	9.9
147.11681	12.6
149.09627	4.0
149.13290	7.1
157.10155	1.7
159.11696	10.8
161.09608	1.0
161.13242	9.8
163.11169	2.4
163.14822	3.5
165.12764	1.4
171.11681	2.8
173.11891	1.0
173.13252	5.2
175.14844	7.2
177.12804	3.8
177.16321	3.5
179.14333	16.0
183.11626	1.2
185.13312	1.9
187.14839	6.0
189.16435	7.3
191.14287	1.5
191.17982	2.9
193.15862	1.2
199.14830	2.3
201.16403	7.5
203.14296	1.2
203.17964	10.5
205.15877	3.3
205.19553	1.0
211.14819	1.1
213.16370	3.1
215.17964	4.7
217.19536	7.5
219.17438	1.7
225.16425	0.9
227.17969	2.3
229.19492	2.2
233.18996	2.3
241.19458	1.0
242.45908	0.7
243.20973	1.0
247.20547	1.7
255.21153	1.2
263.20081	1.2
267.20932	0.9
269.22476	1.2
271.06079	3.6
273.03946	2.6
275.20071	3.4
293.21066	4.1
303.04999	1.9
303.26871	3.8
313.25211	1.8
327.04764	1.0
327.26721	1.4
331.26312	26.5
337.28955	0.8
339.26682	1.1
349.27383	6.7
367.24945	1.8
405.30322	1.6
405.35153	5.7
423.30978	100.0
423.36240	30.3
424.31317	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.3107
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03968	0.9
55.01862	1.1
55.05514	5.3
56.96582	0.9
57.03429	1.7
57.07068	2.2
65.80018	0.7
67.05507	19.1
69.03420	0.8
69.07076	8.6
69.64449	3.3
71.04993	2.3
71.08607	1.0
79.05495	7.4
81.07066	16.3
83.05012	1.4
83.08620	5.2
85.06542	1.3
91.05495	5.9
93.07049	11.7
95.04957	1.6
95.08615	13.0
97.06525	2.1
97.10192	0.9
98.20813	1.4
99.08147	1.1
105.07039	7.0
107.08603	11.5
109.06523	10.3
109.10161	10.7
111.08085	2.5
117.07050	1.9
119.08586	8.0
121.10145	6.7
123.08075	39.0
123.11751	2.2
129.07024	1.2
131.08603	3.3
133.10159	5.3
135.08057	8.2
135.11736	3.4
137.09572	1.9
137.13329	0.8
143.08546	1.1
144.09262	0.9
145.10095	3.6
147.11726	3.4
149.09663	3.6
149.13261	3.9
151.11188	1.0
157.10207	1.6
159.11667	4.2
161.13277	2.9
163.11224	2.0
163.14841	1.0
173.11765	1.9
173.13242	1.8
175.04019	0.9
175.14822	1.5
177.12733	4.1
179.14320	23.1
179.15825	1.3
185.13284	1.0
187.14862	1.6
189.16411	2.1
193.15889	1.0
201.16496	0.9
205.15904	0.8
217.19655	1.0
219.17300	0.9
233.19202	1.0
247.20735	1.5
249.11014	1.0
257.04465	1.8
263.20114	1.2
271.06094	3.5
273.03964	9.4
274.04413	1.0
275.19998	4.5
285.04129	1.2
289.25320	1.1
299.05594	1.8
303.05054	4.1
303.26733	4.1
313.07001	1.0
313.25299	1.0
327.05139	2.2
331.26306	28.6
339.05075	1.4
349.27695	1.5
357.06082	1.1
367.24741	2.8
369.05957	1.2
387.07300	1.7
423.10400	1.5
423.31226	100.0
424.31940	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.3108
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.9
55.01863	0.6
55.05512	4.4
57.03444	2.3
57.06836	0.4
57.07077	4.4
59.05001	0.5
65.03915	0.4
67.05509	13.5
69.03426	0.8
69.06730	0.5
69.07074	5.9
70.11211	1.2
71.04975	1.3
71.08640	3.6
79.05499	6.7
81.06603	0.8
81.07062	13.1
82.59650	0.4
83.04962	1.3
83.08622	3.0
85.06536	2.4
91.05482	5.3
93.07049	8.2
95.04974	0.8
95.08611	10.4
97.06532	1.5
97.10157	1.0
99.08083	2.0
105.07042	4.5
105.95689	0.4
107.08602	6.7
109.05806	0.8
109.06526	14.6
109.10163	8.3
111.08066	1.5
114.47920	0.4
117.06999	1.0
119.04904	0.5
119.08590	5.4
121.06561	1.0
121.10164	4.9
122.07275	1.6
123.08076	28.9
123.11694	1.9
127.11164	0.5
131.08568	2.2
133.10153	3.8
135.08044	6.4
135.09012	0.7
135.11716	2.5
136.08841	0.5
137.09612	1.5
137.13254	0.9
139.11180	0.5
139.79707	0.4
145.10124	2.2
147.11726	2.9
148.76338	0.4
149.09607	1.7
149.13266	2.2
151.11252	0.5
151.14763	0.5
155.10820	0.4
157.10191	0.7
159.11732	2.4
161.13264	1.6
163.11162	0.6
165.12752	1.5
167.14302	1.0
169.10129	0.4
171.11650	0.5
173.11749	1.5
173.13214	1.0
175.14888	1.1
177.12784	1.8
179.14317	73.6
180.14594	0.5
182.51567	0.4
183.11734	0.7
185.13205	0.6
187.14854	0.9
191.14287	1.1
193.15892	2.7
195.13763	0.8
201.16393	0.7
203.18015	0.7
205.15907	3.2
210.73187	0.4
215.17966	0.8
227.73254	0.4
233.18950	0.9
271.06085	3.2
273.04031	2.4
275.20078	1.9
275.63651	0.4
288.06946	0.6
289.25320	0.5
293.21179	1.2
299.05212	0.5
303.05014	1.5
303.26950	0.9
313.25342	0.9
321.48413	0.4
328.10168	0.9
331.26334	28.5
332.26605	0.6
349.27374	5.7
367.24945	0.8
370.45282	0.4
405.30212	1.2
423.31158	100.0
424.31458	2.6
442.03391	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.1435
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.9
56.96557	3.1
57.03423	0.9
58.99305	0.9
58.99575	5.2
61.02914	1.7
65.03964	1.0
66.47223	0.8
67.05511	8.1
69.03430	4.4
69.06729	1.2
69.07070	14.9
70.06596	1.3
71.52211	1.2
73.09185	0.7
76.02223	3.3
81.03399	1.9
83.04983	1.9
84.08120	1.1
85.02899	9.5
89.03923	3.7
92.40655	0.8
93.07046	1.1
95.04974	6.1
95.08605	1.1
97.02892	4.0
98.97589	18.6
99.02670	2.7
99.04448	1.2
101.04242	46.6
107.04953	1.1
108.48641	0.7
109.02859	1.5
110.97559	2.0
111.04450	2.1
112.07583	1.8
116.98626	5.6
117.03363	4.5
120.08138	1.1
122.02724	0.9
122.06012	1.1
124.07585	0.9
124.99112	2.7
127.02135	5.2
127.03911	3.3
127.05760	1.9
128.98615	1.4
129.03705	2.6
134.99626	1.0
135.04420	7.1
138.05515	1.6
139.03891	2.3
140.07072	8.1
143.00154	3.6
145.02850	5.2
151.74667	0.9
152.05257	0.9
155.01648	1.7
158.99678	6.1
163.03903	44.1
164.04242	1.9
168.63409	0.8
170.06334	2.8
170.99608	1.8
172.04276	100.0
173.01343	0.9
177.00702	3.5
180.04726	1.8
182.08151	2.7
182.99696	2.2
185.01190	1.1
189.00728	2.3
189.04327	1.2
197.07373	1.9
198.05850	4.8
201.00688	2.8
214.05333	10.4
215.08537	5.3
217.15897	0.7
218.55618	0.8
219.01738	4.4
231.01749	1.6
237.02776	3.0
238.05290	1.5
243.04936	3.8
244.06454	7.5
249.02818	2.9
261.06546	1.5
261.09085	13.3
273.03751	1.0
276.37424	0.9
286.07263	0.9
291.03839	3.2
291.07553	3.0
303.10083	2.2
309.08588	4.3
319.08066	1.1
329.50311	0.8
334.09384	1.6
342.10315	1.3
370.09772	0.9
377.13712	8.1
423.14261	82.4
423.32642	1.5
424.14719	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.126
Annotation	Unknow
Peak:m/z	Relative Intensity
58.37543	1.3
61.90330	1.1
67.59548	1.1
68.79354	1.1
69.15860	13.4
71.85457	1.2
76.54768	1.3
94.06586	2.5
98.21474	2.7
116.64030	1.3
119.60355	1.1
134.93405	1.2
138.05510	2.5
178.03378	1.4
232.04475	2.3
408.33188	1.4
423.12698	100.0
424.13004	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.1432
Annotation	Asperlicin E
Peak:m/z	Relative Intensity
53.03908	0.8
55.01863	0.6
56.96558	1.2
58.99589	6.3
61.02917	0.8
67.05193	0.5
67.05510	7.0
69.03156	0.5
69.03433	5.2
69.07071	14.8
69.43157	0.5
70.06586	0.8
70.22733	1.2
70.23132	1.1
76.02230	3.0
81.03391	2.0
81.03802	0.5
83.04957	0.6
84.08163	0.7
85.02907	9.5
89.03886	1.5
95.04959	2.8
97.02888	5.0
98.97584	2.6
99.02702	2.5
101.04244	42.3
102.03796	0.7
109.02894	0.9
110.06013	1.4
111.04403	0.7
112.07595	3.0
117.03370	1.5
122.02686	0.7
124.99084	0.6
125.04176	0.6
126.05495	0.5
126.65569	0.5
127.02153	5.5
127.03888	2.1
127.05789	2.1
129.03699	2.4
130.67422	0.5
135.04398	2.5
140.07068	9.0
143.00128	0.9
145.02847	1.4
152.05232	0.8
155.01642	1.5
158.99623	0.7
161.02991	0.6
161.42447	0.5
163.03906	15.6
165.37158	0.5
168.04813	1.2
170.06328	2.5
172.04272	100.0
180.04770	1.6
182.08112	2.9
185.06705	0.7
197.07436	3.5
198.05827	5.8
206.08153	0.7
214.05331	10.0
215.08524	5.7
219.01790	0.7
243.05171	1.0
244.06383	8.3
248.09276	1.0
261.09052	14.1
267.03937	0.7
269.57990	0.6
286.07410	2.3
293.10956	0.7
302.12357	1.1
303.10172	2.2
316.08514	1.1
321.55627	0.6
334.09592	5.2
377.13791	9.6
423.14337	68.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.1072
Annotation	Thonningine A
Peak:m/z	Relative Intensity
50.59253	0.2
54.71971	0.2
69.03395	0.2
71.03667	0.2
71.03988	0.3
77.16033	0.2
89.28454	0.2
91.05459	0.8
103.05461	0.2
115.05437	0.3
119.04951	2.3
121.10038	0.2
123.04438	3.3
141.06995	0.3
147.04417	4.9
165.05473	0.6
167.07030	0.4
169.06479	0.8
175.03819	0.3
177.05478	0.3
189.05455	0.9
197.06049	1.0
201.05486	0.3
215.07047	1.6
217.04988	4.7
217.43309	0.2
225.05434	0.7
227.07014	0.3
229.05013	0.3
243.06532	8.0
244.07082	0.4
253.04678	0.2
255.06471	0.6
256.71997	0.2
257.04456	0.9
257.46710	0.2
259.06027	11.6
260.03296	0.3
261.03955	0.3
269.34515	0.2
271.06018	100.0
272.06555	2.3
273.03964	4.4
274.04709	0.3
283.06021	1.2
285.04016	0.5
285.07526	0.6
295.05930	0.3
299.02252	0.3
299.05402	1.0
301.07089	3.5
303.04944	3.2
313.07028	0.4
327.05106	1.7
339.05008	0.7
351.04971	0.5
357.06104	0.7
369.06180	0.7
387.07184	0.9
405.08722	0.7
423.10751	34.6
424.11151	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.092
Annotation	Isomangiferin
Peak:m/z	Relative Intensity
51.32936	0.9
69.54919	6.0
70.60407	1.0
81.03418	1.2
83.13964	0.9
85.02897	1.8
98.21479	2.0
103.03998	1.2
105.16168	1.1
107.01318	1.6
130.84598	1.1
148.59776	1.0
153.01845	1.5
171.04430	1.2
179.33237	1.0
183.04465	1.5
197.05888	1.7
211.03918	2.7
219.02934	1.3
221.06000	1.2
225.05504	3.9
227.03267	1.1
229.04893	2.8
245.04410	2.8
245.12209	1.1
253.05066	2.4
257.04462	21.1
260.03195	3.5
261.03983	5.6
267.02756	2.3
271.05997	7.5
273.03937	100.0
274.04523	5.0
281.04532	2.6
283.06064	1.4
285.04013	14.1
287.01920	1.2
287.05511	1.3
295.06027	3.5
297.03952	3.2
299.02017	3.2
299.05460	19.3
303.04993	68.2
304.05475	1.4
305.04437	1.5
311.05469	2.3
313.07062	8.0
323.05542	3.2
327.04984	46.4
339.05066	15.6
339.97861	1.0
341.06512	1.8
351.04999	12.0
357.06027	25.5
369.06030	24.2
387.07135	28.1
405.08148	16.5
423.09271	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	423.0921
Annotation	Mangiferin
Peak:m/z	Relative Intensity
57.03427	0.9
70.77115	1.9
70.77454	1.0
75.88876	0.8
85.02921	1.9
91.05437	1.2
97.02901	1.3
98.10942	0.8
105.95803	0.8
109.02882	0.9
120.32096	0.7
123.04479	1.1
139.03896	1.1
153.01816	1.5
171.04350	1.0
175.04001	0.8
187.03899	1.9
201.05286	0.9
203.03377	1.4
205.04855	1.3
211.03886	1.3
215.03345	1.4
217.05017	1.6
219.02846	0.9
224.04288	0.8
225.05489	2.3
228.04207	2.8
229.05009	2.0
231.02919	5.2
233.04474	3.3
239.03502	1.4
243.02899	1.5
245.04468	4.6
246.05190	4.2
249.03998	2.4
253.04921	1.9
256.03690	3.4
257.04453	11.3
260.03174	3.4
261.03940	5.1
267.03098	1.1
267.06464	1.6
269.04480	2.1
271.06039	3.3
273.03934	100.0
274.04697	21.4
275.05399	1.4
281.04361	1.8
285.03979	14.7
287.05530	8.9
295.06073	2.6
297.03943	3.5
298.04840	2.7
299.02225	1.4
299.05450	13.2
301.03415	3.1
303.04990	80.5
304.05426	1.9
308.63797	0.9
311.05423	1.9
313.03589	1.3
313.06995	16.6
315.05142	2.9
323.05524	2.4
327.05002	30.7
328.98575	1.0
333.06491	0.8
339.04926	7.2
341.06592	5.4
351.04941	4.3
357.06036	19.4
369.06100	13.8
387.07117	24.2
388.07022	1.0
405.02802	1.0
405.08179	31.3
423.09225	55.9
424.09796	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	422.2902
Annotation	Unknow
Peak:m/z	Relative Intensity
50.91037	1.9
57.06835	3.0
57.07074	36.3
58.07403	3.4
59.04992	6.0
67.05497	7.7
69.07054	9.9
69.76208	6.5
69.76626	6.0
71.04949	3.2
71.08635	28.1
72.08949	2.4
81.07048	8.0
83.08604	5.1
85.10178	13.5
86.10517	5.3
87.04465	2.4
89.06018	7.8
90.33457	2.1
93.07023	3.0
95.08585	5.2
101.25242	1.9
105.07019	4.6
107.08569	4.9
109.09486	2.9
109.10160	41.4
119.08591	2.9
121.02858	4.6
127.11195	100.0
131.08572	2.3
133.08594	5.8
133.10223	2.4
149.02341	57.5
152.23569	2.3
170.03117	2.2
287.38123	2.0
422.35129	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	422.3842
Annotation	Unknow
Peak:m/z	Relative Intensity
51.91750	2.0
55.05506	4.8
57.03435	4.2
57.07078	100.0
59.05005	53.9
67.05495	4.7
69.07056	4.6
71.08238	3.9
71.08633	75.0
74.66648	2.0
81.07040	6.8
83.08623	3.0
84.84760	2.1
85.10186	70.4
93.07063	5.0
95.08624	9.1
97.10207	5.1
98.20689	3.2
98.85271	2.3
99.08142	2.2
99.11751	14.6
105.07031	5.8
107.08559	3.7
109.10130	13.9
113.13316	4.3
117.08394	2.8
117.09145	24.8
119.08597	5.4
121.10150	5.3
129.55785	2.1
133.10152	6.2
135.11725	2.3
145.10109	3.8
147.11700	5.6
153.98474	2.3
155.17958	10.3
161.13222	3.2
175.13359	4.8
175.15067	2.0
189.16443	2.3
203.17964	4.3
213.22194	17.4
244.16920	2.2
271.26279	16.9
274.17194	2.3
301.72256	2.2
374.41165	2.3
376.13889	2.4
405.35495	14.7
422.36591	6.9
423.36105	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	422.1591
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	2.9
56.96560	3.7
57.03435	3.3
57.72807	1.9
58.99600	14.6
67.05498	2.8
69.03431	2.5
69.07059	6.9
69.55023	9.0
69.55428	2.6
70.06595	4.8
72.08154	2.3
74.00665	3.1
76.02232	85.2
76.03991	4.9
79.05499	9.9
84.04507	34.2
85.02889	4.0
85.04021	6.1
86.99034	2.0
89.03892	3.4
91.05465	2.0
91.65803	2.0
97.02915	2.5
97.06533	100.0
98.97590	3.0
99.05605	4.3
116.01682	21.2
116.07077	2.9
117.03387	2.6
120.08093	2.8
123.04485	2.5
127.03878	5.1
129.03722	2.9
129.06578	1.8
130.05006	23.6
130.06476	3.1
131.04524	2.2
135.04405	9.0
137.05977	22.0
138.06364	4.7
142.03209	7.9
143.00139	4.2
144.01184	14.0
145.02806	4.4
145.06070	3.4
154.06850	5.6
162.00981	3.3
162.02205	37.3
163.03906	34.8
164.04300	3.5
172.07944	3.0
173.36920	2.2
177.00902	2.3
177.03342	19.8
179.04860	85.4
203.65778	1.9
233.05869	23.7
233.17738	2.1
242.09122	3.1
245.05966	3.5
275.10623	7.5
291.06177	3.2
306.07507	3.1
308.09116	58.4
326.84152	2.0
386.13199	2.5
406.08838	1.8
422.17123	11.0
423.09192	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	421.2584
Annotation	Unknow
Peak:m/z	Relative Intensity
51.71223	2.0
53.03935	6.9
55.01860	7.7
55.05513	28.6
56.18453	2.0
56.96566	2.9
57.03438	10.2
57.07065	2.8
59.04981	3.2
65.03932	4.2
67.05505	76.6
69.03415	8.3
69.07065	17.9
71.04986	7.8
71.52452	2.9
77.70318	1.7
79.05073	3.7
79.05494	44.5
81.03423	23.4
81.07061	54.5
83.04966	8.7
83.08620	17.2
84.96410	1.8
85.02893	4.0
85.06531	5.5
91.05484	57.2
93.07044	51.4
93.07622	3.7
95.04967	54.1
95.08613	42.0
97.02877	3.2
97.06549	11.3
97.10182	11.7
98.97578	3.1
99.08079	3.0
103.05408	2.7
105.07036	40.6
107.04967	20.1
107.08595	35.4
109.02908	2.5
109.06532	10.5
109.10156	48.0
111.08077	9.1
115.05444	4.9
117.07012	20.2
119.04944	4.3
119.08581	44.2
121.06512	16.5
121.10148	24.6
123.04417	2.5
123.08055	8.1
123.11697	4.8
125.09587	10.6
128.06194	5.3
129.06998	18.4
131.08578	31.5
133.06477	6.2
133.10126	28.1
135.08064	10.0
135.11723	9.1
137.05913	1.8
137.09607	8.2
139.11185	3.1
141.06975	7.3
142.07794	7.2
143.08548	18.6
144.09271	2.2
145.06482	4.6
145.10126	37.9
147.08035	6.2
147.11674	12.9
148.97357	2.2
149.09601	8.9
149.13229	5.2
151.11160	3.2
155.08527	8.1
156.09334	4.9
157.10132	28.6
159.08058	4.1
159.11711	28.2
161.09625	6.0
161.13240	10.7
163.07336	2.2
163.11179	9.9
163.14821	2.7
165.06857	2.8
167.08553	4.6
168.09435	2.4
169.10117	17.9
170.10878	2.4
171.08063	2.7
171.11674	20.3
173.09619	4.4
173.11717	8.2
173.13263	15.3
175.11198	14.1
175.14894	9.3
177.12698	7.8
177.16409	3.0
181.10103	8.8
182.10866	3.6
183.11702	14.3
185.09619	4.7
185.13257	18.9
187.11206	5.7
187.14864	10.4
189.09042	5.8
189.11191	6.3
189.12735	4.5
189.16383	5.4
193.12228	16.2
195.11684	7.8
196.12431	2.4
197.13338	9.9
199.11136	4.2
199.14865	16.9
200.15309	2.1
201.12737	5.8
201.16347	6.1
203.10690	8.4
203.12740	4.2
203.14455	2.9
205.12286	5.7
205.15852	3.1
207.11580	1.9
207.13779	2.5
209.13223	5.8
211.14841	20.4
213.12775	3.6
213.16350	7.1
215.14333	5.0
223.13086	4.1
223.14992	4.0
225.16388	7.9
227.17970	3.0
231.13765	2.6
235.14941	2.3
237.16417	5.1
243.17461	2.8
245.15578	2.3
249.14835	6.3
251.17993	4.7
253.15721	2.8
265.19403	3.8
283.20428	2.7
293.18954	2.7
301.21524	5.1
311.20157	14.7
311.23334	3.0
329.21100	74.3
345.25739	2.6
347.22311	12.8
362.13043	2.6
363.26706	2.7
367.22852	3.1
375.30322	3.9
385.23877	4.9
385.28775	3.6
403.24695	60.1
403.29898	20.3
421.25720	100.0
421.30969	71.8
422.26132	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	421.2587
Annotation	15-oxo spinosyn macrolactone
Peak:m/z	Relative Intensity
50.72723	1.3
51.32561	1.4
53.03944	5.1
54.40805	1.9
55.01875	8.2
55.05512	23.5
57.03440	10.2
57.59681	1.4
62.73549	1.5
64.24604	1.4
65.03957	4.2
67.05512	55.3
69.03433	6.2
69.07067	11.0
69.22040	1.4
69.37991	11.5
71.04996	5.7
75.29072	1.4
79.05500	32.2
81.03428	16.3
81.07067	34.2
83.04989	5.7
83.08633	12.5
85.02915	2.1
85.06544	2.8
91.05489	41.5
93.07054	30.5
95.04979	61.5
95.08611	25.9
97.02917	1.9
97.06547	5.2
97.10188	11.5
97.50003	1.9
103.05443	1.9
105.03403	1.9
105.07043	18.4
107.04961	22.2
107.08616	12.0
109.06547	8.1
109.10170	22.5
111.04459	1.5
111.08061	3.0
115.05459	1.8
117.07040	15.0
119.04981	2.8
119.08595	20.4
121.06514	21.5
121.10155	8.8
123.08058	7.5
123.11697	1.6
125.09624	9.8
129.07019	13.3
131.04955	2.4
131.08572	16.4
133.06512	7.1
133.10132	9.6
135.08051	7.3
135.11731	4.5
137.09641	6.9
141.07008	2.8
141.14671	1.7
142.07823	4.0
143.08542	10.2
145.06477	4.5
145.10104	10.1
147.08032	8.9
147.11713	4.8
149.09633	4.8
155.08546	5.0
157.06491	3.4
157.10106	8.5
159.08080	2.8
159.11699	9.4
161.09596	7.6
163.11171	7.2
167.08643	3.2
169.10152	3.5
171.08066	2.6
171.10287	3.0
171.11742	3.5
173.09541	1.9
173.11877	2.9
173.13254	2.1
175.11189	7.5
177.12764	4.5
181.10146	2.4
183.11732	4.1
184.99965	2.0
185.09691	4.6
185.13197	2.1
187.11194	3.7
189.09177	6.4
189.11229	6.3
189.12682	3.6
191.10826	1.6
193.12254	8.8
195.11717	2.5
199.11235	3.0
201.12758	3.2
203.10722	9.7
203.12630	2.8
203.14427	2.4
205.12253	4.9
207.13814	1.9
217.12210	4.2
219.13863	1.9
223.13278	5.1
231.13765	4.9
233.15271	1.6
237.14801	1.7
249.14978	6.3
283.20566	1.9
293.19046	1.8
301.18677	1.6
301.21539	8.2
311.20035	11.9
319.22601	2.1
329.21149	79.6
330.21469	1.9
341.21011	2.1
347.22086	12.5
367.22781	3.4
377.23325	2.5
385.23819	3.6
403.24817	66.7
404.24942	2.0
421.25897	100.0
422.26102	2.2
445.80194	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	420.2229
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02373	1.1
53.03942	1.8
55.01873	1.3
55.05509	0.7
57.03427	2.1
61.02910	1.1
67.05502	1.8
69.03432	7.1
70.06558	0.6
71.02197	0.5
71.04998	2.2
71.52541	0.7
72.08157	6.1
73.02891	1.1
73.08498	0.8
78.03453	9.0
79.05486	1.0
80.05032	2.6
81.03424	12.6
81.07060	1.9
83.05000	2.9
83.05421	0.5
84.04503	0.7
85.02907	12.3
86.09708	1.1
86.56908	0.5
86.88393	0.6
87.04494	0.9
91.05493	2.7
93.07069	3.4
95.04971	3.0
95.08605	3.8
96.04495	4.1
97.02889	4.7
97.06505	1.8
98.97578	0.7
99.04453	2.2
105.07014	1.9
106.02920	43.1
107.04960	21.7
107.08595	2.2
109.02882	7.2
109.06519	1.1
109.10159	2.9
111.04457	0.6
117.06992	0.7
119.08572	1.7
120.08128	0.6
121.02872	3.2
121.06522	4.8
121.10156	2.1
123.04485	2.9
123.08073	100.0
124.03959	98.7
125.04317	1.0
125.06062	0.8
125.09632	1.8
127.03927	4.7
130.98073	0.5
131.08522	0.6
133.10146	1.8
134.79466	0.5
135.08081	0.8
135.11693	1.7
137.06003	1.0
137.09618	2.7
138.09157	0.9
139.03911	4.0
139.07582	0.9
140.04240	1.6
141.61742	0.6
145.04910	1.2
145.10095	1.1
149.05981	0.5
149.09598	0.9
150.09154	0.5
151.03964	0.5
151.11179	1.7
151.38257	0.6
151.74666	0.6
153.09111	1.1
159.11719	1.3
161.06026	0.8
161.09642	13.2
163.03951	1.3
163.11183	3.0
165.09097	1.1
166.04955	0.7
167.07011	1.8
173.06126	0.8
177.12772	1.2
179.10680	40.2
180.11125	0.6
181.12228	0.9
183.06459	0.6
197.11740	9.5
205.08728	0.6
205.12230	2.3
208.06175	0.9
217.08698	0.9
218.09056	0.7
219.10088	0.9
223.13289	18.7
241.14372	14.5
244.29120	0.5
250.07121	13.8
268.08163	31.2
269.08466	0.7
273.12622	1.3
361.21973	0.9
374.12338	2.8
385.12564	0.9
402.11777	1.1
402.16437	1.6
403.26746	6.0
404.11517	0.6
420.12900	54.6
420.29401	11.9
421.13107	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	420.2229
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	0.9
53.50679	0.2
53.56400	0.2
55.01870	0.3
55.05503	0.7
57.07077	1.6
61.02919	0.6
65.03939	0.3
67.05512	3.2
68.47991	0.2
69.03436	2.3
69.07066	2.7
70.91099	0.6
71.04970	0.3
71.36768	0.2
73.02926	0.7
73.53125	0.2
79.05495	6.6
81.03421	1.8
81.07057	100.0
82.07378	0.5
85.02906	6.4
87.00829	3.2
93.07060	0.7
95.04967	0.3
95.08607	16.4
97.02290	0.5
97.02895	5.3
99.04464	0.8
105.01863	6.6
107.98470	0.2
108.04503	0.4
109.02886	1.8
109.10175	1.3
127.03920	7.0
127.04819	0.4
137.13257	24.6
145.04964	5.2
145.06032	0.4
154.15939	1.0
159.02902	1.2
192.33322	0.3
196.69200	0.3
211.60992	0.3
226.59241	0.2
231.05006	2.7
232.60712	0.3
235.36288	0.3
248.07776	0.5
249.06042	1.3
284.09882	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	420.1865
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03241	1.7
57.03438	18.9
59.04994	3.6
65.41266	2.1
68.73240	2.2
68.83438	2.2
69.03432	60.0
69.17961	2.9
69.18230	5.7
69.18639	16.3
73.02906	4.6
81.03403	2.2
85.02426	4.4
85.02907	50.9
87.04469	41.1
91.05485	100.0
97.02897	63.3
97.03521	3.6
105.07048	3.6
107.04961	8.7
115.03939	78.8
127.03931	5.7
130.25679	2.2
133.04021	4.7
133.04976	77.1
145.04984	9.4
146.59021	2.3
150.07637	13.7
161.04424	3.1
163.06111	2.4
175.07571	4.3
186.67377	2.5
217.08580	4.0
219.41960	2.3
221.10861	2.5
223.09639	10.5
240.98021	2.4
241.07104	4.5
259.08060	5.4
277.09390	3.1
295.10254	3.6
301.65332	2.3
345.36343	2.7
373.94824	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	420.1652
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	1.2
53.83612	0.9
57.03443	1.0
57.84475	0.8
67.75892	0.9
69.36765	1.6
69.37167	5.6
70.06590	1.9
71.05891	0.7
76.50320	0.8
81.03422	1.3
81.07094	1.0
83.76135	0.9
84.08068	0.8
85.02908	1.7
86.09718	0.9
91.05463	2.3
95.04970	2.6
95.08607	1.2
97.02892	1.0
105.03426	1.1
107.04954	1.0
107.08479	0.8
119.04961	2.4
123.04434	100.0
133.10115	0.9
135.08034	1.1
137.06017	1.1
139.03894	2.6
140.04198	1.0
147.04410	4.8
149.05904	0.9
151.03896	2.6
159.08112	1.0
161.05998	1.8
163.03886	2.8
163.07539	2.8
165.05492	3.0
175.04012	1.6
175.50449	0.8
176.04688	23.3
177.05464	1.8
182.05209	1.2
187.07600	1.9
189.05476	2.7
191.06967	2.1
205.08594	4.0
208.04594	0.8
215.07050	2.7
217.08577	3.2
219.06532	3.1
233.08102	42.6
243.06602	5.5
243.08853	1.4
245.08116	12.2
251.09100	2.9
253.57114	1.0
295.06119	1.3
324.10571	1.4
367.11768	14.7
385.12845	14.3
403.14038	5.1
420.29279	1.7
440.08542	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	420.1286
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01585	0.9
51.02388	0.9
51.22557	0.5
53.03938	2.2
55.01864	1.2
56.96573	0.5
57.03425	1.5
65.03926	0.9
67.05502	0.9
68.65485	0.5
69.03424	6.2
69.31589	3.9
70.06598	1.3
71.04980	1.5
72.08154	5.2
73.02904	0.6
73.08482	0.9
75.20014	0.5
76.02232	0.6
78.03457	11.2
79.05491	1.4
80.05035	2.8
81.03423	9.2
81.07047	0.8
83.04983	1.5
84.04487	0.9
85.02908	8.6
86.09692	0.8
90.39874	0.6
91.03985	0.5
91.05473	3.8
93.07024	2.6
95.04964	1.8
95.08592	1.3
96.04480	3.9
97.02893	4.8
97.06551	0.6
98.97559	0.5
99.04459	2.1
105.07013	1.0
106.02919	43.8
107.04958	24.8
107.08593	1.1
109.02886	6.8
109.10197	1.3
112.05102	0.8
116.01691	0.6
116.07040	0.7
119.08604	0.8
121.02895	3.6
121.06470	2.5
121.10159	1.1
122.03230	0.6
123.03582	0.6
123.04460	2.8
123.08070	38.4
124.03956	100.0
125.09519	0.6
127.03903	5.8
129.07030	0.6
133.10133	0.9
135.04478	0.8
135.11752	1.0
137.05994	1.2
137.09615	4.0
138.09142	1.0
139.03911	5.8
140.04256	2.0
141.09091	0.9
145.04988	0.7
149.05991	0.7
150.09102	0.8
151.03842	0.8
151.11082	0.7
153.05370	0.9
159.11725	1.1
161.09621	5.7
163.03911	1.3
163.11217	2.1
163.81375	0.5
165.09143	0.6
166.04892	0.6
167.07022	1.1
169.06578	0.6
177.12691	0.6
179.10677	17.0
183.06538	0.8
197.11787	3.2
205.12265	1.5
217.08554	1.3
218.09123	0.7
220.10451	0.6
223.13277	7.1
223.15182	0.8
233.08073	0.6
241.14388	5.7
249.11287	0.9
250.07129	14.8
250.09505	1.1
268.08157	33.2
273.12653	1.1
310.18204	0.6
361.22397	1.0
374.12445	3.4
402.11636	1.3
403.26678	4.5
419.28949	1.2
420.12897	63.7
420.29251	8.5
421.12793	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.2908
Annotation	Unknow
Peak:m/z	Relative Intensity
52.49189	0.4
52.63432	0.3
55.05517	0.6
56.96569	0.6
57.03445	0.6
65.73380	0.3
67.05527	0.4
67.68450	0.3
69.03424	0.8
69.07075	0.4
69.65289	1.8
70.06599	3.6
71.04990	0.8
72.08160	53.7
79.05510	0.4
80.05030	1.3
81.03434	0.6
81.07066	0.8
84.08159	0.5
85.02913	1.4
86.09711	1.1
87.00846	0.5
89.03973	0.4
91.05482	1.3
93.07038	1.3
95.04989	0.3
95.08646	0.6
96.04517	0.6
97.02879	0.6
98.21577	0.4
98.97611	0.7
105.07043	0.7
107.08604	1.0
108.04485	1.5
109.02898	0.6
110.06056	1.6
117.07017	0.5
119.04960	0.5
119.08580	0.9
120.08111	0.7
121.06529	0.3
121.10169	0.7
122.09693	0.7
123.04476	0.9
127.04021	0.4
131.08582	1.0
132.08076	0.4
133.06636	0.3
133.10097	0.4
135.11694	0.5
136.07631	0.5
139.03923	0.4
143.08566	0.4
145.10144	0.8
146.09627	0.3
147.04414	1.4
147.08095	0.8
150.09145	9.6
150.10344	0.5
153.12778	1.5
157.10165	0.4
158.99556	0.3
163.03944	0.9
164.10736	1.0
171.10262	0.7
171.11639	0.4
173.13049	0.5
177.05469	1.0
178.05788	0.6
183.11769	0.4
194.00766	0.3
195.11835	0.4
219.01822	0.4
219.13715	0.6
266.10272	0.9
267.10562	1.3
287.05603	0.6
296.19910	0.4
314.21161	0.6
330.10925	0.4
332.22372	3.0
348.21716	3.3
360.21677	11.7
361.02145	0.4
374.26968	1.2
384.25302	4.7
401.28046	4.6
402.26410	55.5
403.26654	0.9
419.29065	100.0
420.29514	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.2904
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05449	0.4
56.96494	0.5
58.65097	0.4
61.97900	0.3
69.03329	0.6
69.24997	2.5
69.25414	1.3
70.06470	2.9
70.06902	0.7
71.06813	0.6
72.08035	21.7
72.08484	3.6
72.12691	0.4
79.05395	0.4
80.04897	2.0
81.03327	0.5
81.06973	0.8
81.07392	0.4
84.04404	0.8
84.08060	0.8
85.02804	1.0
86.09576	1.4
91.05360	1.3
93.06942	0.6
95.04876	0.4
96.04359	1.1
97.02758	1.5
98.05939	0.7
98.26778	0.5
98.97475	1.0
105.06952	0.6
107.04847	0.5
107.08450	0.7
108.04338	2.5
110.05940	1.1
112.03822	0.5
116.07059	2.0
116.98508	0.6
117.16879	0.4
119.04823	0.5
119.08447	1.2
119.60761	0.5
120.07996	0.4
121.06393	0.4
122.05835	0.6
122.09547	0.5
123.04431	2.9
124.04688	0.8
124.07515	0.5
131.08456	0.5
133.09944	0.4
135.04247	0.6
135.07999	0.4
137.05911	0.5
139.03821	0.9
143.08427	0.4
147.04427	2.7
147.07912	0.5
147.11519	0.6
148.04610	0.8
149.09393	0.4
150.09143	11.9
151.03893	4.6
152.04214	3.2
155.08319	0.5
156.76003	0.5
159.11523	0.5
163.03769	1.3
164.10553	0.5
165.05322	0.6
175.07445	1.1
177.05409	0.6
237.02669	0.5
241.98732	0.4
242.04100	0.4
242.07759	0.4
249.32904	0.4
250.93140	0.4
258.05701	2.5
266.10028	0.6
267.10483	0.7
272.78052	0.4
296.19989	0.6
303.08633	2.3
303.16925	0.5
304.08978	7.1
314.21063	1.3
314.75443	0.4
318.05319	0.5
332.22113	1.4
348.21643	2.1
350.23282	0.5
360.21698	19.3
374.26935	0.7
374.66238	0.4
375.16263	0.7
384.25436	3.4
401.27777	2.0
402.26379	67.7
403.26746	1.3
419.15558	5.7
419.29041	100.0
420.29300	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.2903
Annotation	Unknow
Peak:m/z	Relative Intensity
51.17871	0.9
55.74248	0.8
56.96540	0.8
69.03420	1.1
69.89407	3.6
70.06603	4.2
70.06902	0.8
72.08156	63.0
72.42350	0.7
74.90014	0.7
79.03995	0.6
79.05503	1.1
80.05018	0.9
82.73643	0.7
84.04492	1.1
84.08129	1.0
85.02887	2.2
86.09711	1.3
89.03944	0.7
93.07011	0.9
97.02869	1.0
98.20853	0.9
98.97650	0.8
106.06567	9.4
107.04966	4.5
107.06889	5.9
108.04488	1.4
109.02898	1.2
110.06059	1.7
110.28751	0.7
117.03392	1.1
119.08582	1.0
121.02880	1.0
123.40775	0.7
123.73865	0.6
124.07595	1.0
127.03909	0.7
130.05019	0.9
130.06520	0.7
131.08565	0.7
134.09656	0.7
135.04385	2.0
137.05925	1.0
139.03883	3.1
150.09155	6.3
159.11784	0.8
163.03899	7.0
169.03191	0.9
177.03307	0.8
203.03479	0.9
209.08113	2.0
215.11099	0.8
304.08917	1.2
304.16858	0.7
332.22229	3.0
348.21701	4.4
360.21664	12.9
374.26810	1.2
384.25427	4.5
401.28101	5.0
402.26395	51.1
403.26355	1.3
419.14691	18.3
419.29053	100.0
420.29431	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	419.1915
Annotation	Unknow
Peak:m/z	Relative Intensity
50.56287	0.9
51.41631	1.0
53.03947	2.1
55.01856	1.3
55.05503	1.7
56.96525	1.5
57.03433	1.9
57.07084	1.4
60.04531	4.2
63.79351	1.2
67.05527	1.5
69.03426	6.7
69.07065	3.3
69.29369	2.7
69.29788	5.9
69.99311	1.0
70.06596	6.7
71.05001	6.0
72.08158	55.2
79.05490	3.3
80.05015	1.7
81.03425	3.0
81.07053	8.9
85.02914	11.0
86.09717	11.1
87.00840	4.7
87.04421	1.3
91.05498	4.0
92.05839	1.4
93.07040	6.5
95.04971	1.3
95.08616	2.9
96.04508	3.3
97.02898	5.2
97.06550	1.7
105.01878	3.6
105.07043	4.2
107.08598	4.3
108.04488	1.3
109.02908	1.9
109.06495	1.5
109.10152	3.0
110.06072	1.9
115.03938	2.0
119.08611	4.7
121.06572	1.6
122.02407	2.3
123.04453	2.9
123.11726	1.3
127.03938	4.8
128.07135	2.2
128.10768	1.8
131.08542	1.8
132.10242	2.1
133.06482	1.1
134.47337	1.3
135.08081	1.4
135.11723	4.9
137.06000	2.1
137.13277	2.6
139.03912	1.4
143.08545	1.8
145.02921	1.3
145.04958	2.3
145.10141	1.4
147.08104	1.0
150.09140	10.1
151.04033	1.3
153.12752	22.9
159.11705	1.2
163.03928	1.6
167.07079	1.9
169.08112	1.1
173.09628	2.4
173.12842	8.5
177.05476	4.1
178.05838	1.4
201.12453	3.6
214.08672	1.7
219.01826	1.3
219.13509	6.6
243.05267	1.5
243.13768	1.6
260.09210	2.5
266.10339	1.8
267.10495	2.2
278.10300	4.7
287.05597	4.2
332.22238	1.9
347.14304	1.4
348.21732	3.4
354.12454	1.1
360.21732	11.3
361.02396	1.2
373.47894	1.3
374.26813	1.2
383.17099	1.2
384.25275	5.1
401.28168	4.8
402.26370	49.0
419.29062	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	419.1912
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	5.4
53.58892	3.1
55.01870	14.2
55.05529	8.0
57.03429	9.5
57.07069	14.9
59.04983	5.8
61.02938	6.8
64.18832	3.9
65.03956	5.5
67.05516	7.4
68.99798	3.6
69.03433	30.5
69.07069	9.5
70.10996	7.3
70.11386	6.3
71.04997	18.9
79.05498	11.5
81.03412	18.8
81.07068	23.6
83.05012	6.8
85.02907	55.7
85.06531	4.3
87.00822	24.0
91.05482	12.6
93.07049	20.4
95.04982	8.0
95.08620	18.0
97.02888	26.4
97.06522	12.5
98.97582	3.3
99.04469	6.0
103.05457	5.8
105.01849	19.8
105.07031	14.1
107.04953	10.8
107.08582	27.7
109.02897	12.8
109.06504	7.7
109.10187	11.7
111.04443	5.8
115.03931	6.7
117.07026	5.5
119.04968	5.6
119.08582	19.6
121.06548	8.5
121.10169	3.7
123.04399	7.1
127.03915	34.7
129.01895	4.3
129.06993	5.0
131.08560	14.1
133.06432	5.5
135.08095	4.8
135.11671	27.6
137.05933	4.5
137.13290	7.5
139.02814	5.0
139.03903	99.4
141.06979	4.9
143.08574	6.3
145.04979	9.9
145.06438	5.8
145.10130	9.4
147.08058	11.6
147.11682	4.9
149.09595	3.4
151.11159	5.0
153.12752	100.0
155.08569	4.9
155.14236	4.2
157.06415	6.0
158.07339	4.0
159.02954	9.8
159.08066	9.6
159.11694	4.4
161.06012	9.1
163.03903	85.9
165.01849	4.2
165.05511	3.8
165.12781	13.2
167.07056	23.8
171.08020	4.5
171.13838	7.4
173.06137	4.3
173.09633	13.0
175.07581	8.2
177.05452	7.2
177.12762	3.8
181.04961	13.8
183.06549	4.1
187.07550	8.9
189.09152	5.0
191.07059	7.4
191.10631	8.5
195.27649	3.5
197.13303	3.9
199.07523	3.7
201.09088	4.0
205.08604	5.9
217.08664	6.7
219.10110	5.2
221.08055	3.6
231.05063	7.8
231.10239	3.9
243.13834	12.4
249.11244	15.7
261.14908	11.0
269.08179	5.3
315.08789	8.0
323.09177	7.4
330.11081	6.5
347.14871	7.3
351.12302	5.0
356.22208	13.3
365.16025	5.8
369.13312	10.7
383.16595	4.3
401.15817	19.4
402.22733	9.8
419.17538	8.0
419.29514	4.1
437.18091	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	419.1915
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	7.7
53.39180	1.7
55.01880	10.9
55.05509	8.4
57.03176	1.8
57.03434	9.7
57.07074	21.8
59.05012	10.8
61.02929	6.5
63.21887	1.6
66.05405	1.8
67.05508	13.0
68.99786	6.5
69.03083	2.8
69.03434	39.1
69.07070	13.9
70.06570	2.8
71.05000	9.8
71.17025	4.2
72.08160	10.1
72.15819	1.5
73.02913	8.0
79.05480	3.9
81.03416	45.0
81.07082	10.2
83.08602	3.6
85.02911	75.7
85.06561	11.5
85.73853	1.8
87.00838	29.1
91.03954	2.3
91.05464	4.8
93.07035	19.8
95.04990	5.0
95.08608	66.4
97.02892	28.1
97.06530	5.8
99.04461	16.9
99.08095	17.7
105.01858	24.3
107.04947	4.5
107.08617	10.2
109.02148	3.2
109.02880	50.0
109.06525	7.2
109.10166	19.5
111.08067	9.3
111.11674	2.4
113.09644	76.7
115.03951	4.5
116.07112	2.6
117.01881	5.8
119.08572	4.6
121.06551	2.8
123.04434	4.3
124.07582	3.0
125.09650	2.2
127.03925	66.6
127.11205	10.3
129.01845	5.1
131.04872	2.4
135.11699	19.0
137.09624	14.7
137.13261	13.8
139.03891	3.6
145.04974	24.7
147.02879	3.9
153.12747	100.0
155.14308	35.5
159.02893	23.9
161.04550	2.2
161.21469	1.9
163.03867	4.5
167.07066	3.0
168.09315	1.7
171.13808	24.9
175.07541	2.7
177.04033	2.3
177.09157	2.2
181.04910	2.1
183.06572	2.5
195.13817	2.5
231.04971	14.0
244.90117	1.7
249.06052	2.8
249.11230	2.9
279.15921	2.7
304.57657	2.1
307.85422	1.8
313.07309	2.0
359.20874	1.7
384.24951	1.7
388.12268	2.1
401.16110	2.8
401.27048	1.9
402.26276	6.6
419.18777	20.1
419.28836	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	419.1914
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.9
55.01865	1.3
55.05499	2.1
57.03432	0.7
57.07050	0.6
59.05000	1.5
61.02935	0.6
61.89265	0.5
65.03908	0.5
67.05505	1.3
68.33289	0.5
69.03439	2.7
69.07082	3.0
69.31095	1.8
69.31517	2.2
71.04999	13.8
72.08155	0.5
73.06569	3.8
79.05499	5.7
81.03393	1.1
81.07064	21.2
83.04996	0.5
83.08641	0.7
85.02914	6.3
86.06065	2.0
87.00851	2.8
91.05475	2.9
93.07051	14.9
93.12653	0.5
95.04983	1.1
95.08628	3.2
97.02896	1.5
97.06527	2.3
98.20768	1.0
98.97591	0.5
99.04446	0.6
103.05470	0.6
105.01878	3.9
105.07024	2.4
107.04947	0.8
107.08604	10.8
109.02901	0.8
109.10165	2.1
111.04434	0.6
117.07050	0.5
119.08594	2.5
121.06495	0.8
121.10152	0.6
123.04456	0.8
127.03954	3.5
130.41530	0.5
131.08551	1.4
133.10098	0.8
135.11707	21.1
139.03909	6.6
140.91026	0.5
143.08586	0.8
145.05003	1.1
145.10126	0.9
147.11671	0.6
150.19432	0.5
151.03894	0.5
153.12756	100.0
154.13080	1.5
155.08598	0.7
157.10197	0.6
159.08073	0.6
163.03912	5.8
167.07039	2.1
168.07373	0.6
171.11737	0.9
173.06094	0.5
173.13251	0.5
175.07553	1.4
181.05029	0.8
181.06531	0.5
183.11769	0.8
185.13223	0.8
187.07603	0.7
189.09171	0.6
197.13194	0.7
203.17915	0.8
209.08105	0.8
217.08537	0.7
219.10114	0.9
249.11299	0.7
259.96356	0.7
270.19302	0.8
315.08618	0.7
330.10989	1.0
373.25806	2.2
384.42114	0.5
396.37167	0.5
401.25067	4.3
419.26105	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	419.1471
Annotation	TyrMe-Thr-OH
Peak:m/z	Relative Intensity
57.29836	1.2
62.89322	1.5
69.95034	6.1
85.02913	2.3
88.19389	1.3
89.03915	2.1
94.92978	1.8
103.29914	1.3
119.01976	1.5
135.04414	2.7
135.58954	1.4
136.94000	8.0
145.02866	2.0
148.94025	1.4
163.03911	13.7
166.95129	3.0
259.35461	1.5
272.05673	1.2
419.14706	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	419.1338
Annotation	Pinocembrin 5-O-glucoside
Peak:m/z	Relative Intensity
50.68573	0.9
51.02391	0.8
53.03938	1.8
55.01867	2.0
56.40419	0.9
57.03435	4.1
61.02925	1.2
61.19362	0.9
67.01899	1.1
68.22005	0.9
68.99793	2.2
69.03423	5.3
73.02934	1.4
79.05502	2.7
81.03420	4.1
83.01319	0.9
85.02911	22.8
91.05476	4.0
92.91772	0.8
95.04984	2.1
97.02888	5.0
97.06512	1.1
98.21524	2.3
103.05466	9.4
105.07057	1.0
107.04942	2.0
109.02877	3.9
111.00801	0.9
111.04383	1.0
112.55138	0.8
119.04952	0.9
121.02888	4.5
121.06493	0.9
123.04424	2.8
127.03917	3.3
131.04938	27.4
139.03926	7.3
145.04987	2.4
145.06476	1.3
147.04494	1.5
149.02382	1.3
151.03902	1.6
153.01833	44.5
153.05423	1.8
163.03935	3.6
165.01843	17.8
167.07040	2.0
171.02924	2.5
173.05917	1.1
173.09834	1.0
175.04051	1.0
175.07578	1.7
177.01802	4.2
177.05396	1.2
179.03456	2.1
181.05005	2.1
183.02939	3.3
189.01807	1.9
191.03395	10.0
191.07076	2.3
191.10567	1.0
195.02888	29.9
203.03435	1.6
205.08685	1.2
207.02965	1.3
209.08122	2.4
215.03362	1.1
215.16113	0.9
219.02907	7.4
219.10158	2.4
229.14030	1.0
231.02916	8.1
243.02992	3.2
249.03955	2.6
257.08099	100.0
258.08569	1.2
261.03952	4.7
269.08066	19.1
281.08090	8.0
291.56519	0.9
293.07886	1.3
295.09457	1.3
299.09161	14.9
323.09131	17.3
330.10822	1.0
335.09210	7.1
347.09210	4.6
353.10083	3.2
365.10123	5.7
383.11371	5.8
419.24316	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.1311
Annotation	Natsudaidain
Peak:m/z	Relative Intensity
56.96554	7.1
69.03415	2.2
70.03833	4.2
70.04198	8.7
70.06573	7.2
72.08141	10.9
72.93680	2.0
84.08120	3.1
84.96040	2.3
85.02918	2.4
86.09689	9.2
91.05449	2.7
98.09651	2.7
98.97588	40.3
110.97534	8.3
112.99108	2.9
116.04346	2.3
116.07076	4.0
116.98592	7.0
117.07436	2.8
119.08535	6.3
123.04419	6.5
124.04765	2.8
124.99114	4.2
128.98563	6.4
137.05867	2.4
139.03838	2.2
140.98586	3.1
143.00124	5.4
147.04356	5.3
147.08017	5.1
148.04778	2.8
151.03889	12.4
152.04181	8.2
152.98605	2.5
158.99698	18.0
161.01187	2.4
161.05727	2.1
163.03888	4.3
164.04187	2.3
170.99664	3.7
175.07542	23.9
176.07903	4.4
177.00650	9.3
201.00732	4.6
204.03787	2.7
219.01796	14.1
235.37997	2.7
237.02786	11.5
242.08195	3.2
278.10184	4.1
287.07889	9.1
291.03748	9.0
296.09286	4.2
298.09195	2.7
303.08420	6.6
304.05984	1.9
304.08963	17.1
305.09055	25.3
317.08414	3.1
375.16202	2.4
402.26492	14.2
419.12552	100.0
419.28772	22.1
420.12683	2.5
438.97485	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	419.1187
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	13.6
55.01880	15.5
55.03916	2.4
57.03423	9.2
61.02909	9.3
65.03950	5.0
67.05482	3.2
68.99773	10.3
69.03432	30.5
70.06605	3.4
70.32003	9.4
71.04981	6.0
72.08146	10.7
73.02905	8.0
74.51865	2.5
74.88668	2.3
79.05482	5.1
81.03423	36.6
83.04961	3.4
84.04492	2.9
85.02908	100.0
87.00828	41.7
89.03925	2.8
89.06012	5.0
90.06379	3.3
91.03970	2.3
91.05467	3.1
97.02893	40.3
98.97582	4.6
99.04470	22.1
103.03932	4.6
105.01859	24.9
107.04963	32.3
109.02884	36.9
109.05865	2.6
111.04436	20.6
117.01852	8.0
123.04457	5.7
125.06016	2.6
127.03925	53.5
129.01830	8.3
133.06459	2.2
133.08632	3.5
135.04408	13.0
139.02957	3.8
139.03918	43.7
140.67760	2.9
145.04962	25.3
145.06039	3.8
147.02901	6.6
147.04308	3.4
149.02344	2.5
159.02928	22.4
163.03922	52.6
167.07124	3.2
171.05179	4.3
171.06538	58.7
177.05481	4.3
181.04968	14.8
183.06477	3.2
189.03947	6.3
195.06537	42.3
205.04906	3.3
207.06514	7.1
209.08037	5.0
213.07596	22.7
222.05132	6.0
231.04997	9.8
233.08072	7.3
237.07555	28.6
239.14696	5.2
240.15231	9.7
261.07574	18.3
279.08673	26.6
282.22101	2.7
304.08768	3.4
360.21484	3.1
402.26309	8.2
419.14832	34.4
419.20013	3.3
419.29050	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	418.2284
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96561	1.1
58.61321	0.6
61.02921	1.3
61.19537	0.7
66.05088	0.6
68.14691	0.8
69.03413	2.0
70.06587	1.5
71.04975	0.7
72.08126	0.7
74.32987	0.5
81.04560	0.7
84.08119	0.7
85.02535	0.6
85.02915	6.5
86.09671	1.0
87.04462	1.2
89.03886	1.1
89.06035	63.1
97.02887	2.9
98.20798	1.8
106.06567	4.4
107.07081	1.2
112.03954	1.3
116.07079	1.0
120.04482	0.6
123.04431	2.5
124.08683	1.1
133.08612	33.2
135.04393	1.7
139.03922	1.8
142.01529	0.8
147.04390	1.1
151.03897	2.3
151.09641	2.9
163.03932	6.0
177.11250	5.3
193.04991	0.7
195.12315	1.9
203.03401	1.8
239.14896	100.0
240.15359	0.9
245.14992	0.7
266.06583	1.1
267.34613	0.8
303.08661	3.6
377.07944	0.8
418.13849	0.7
419.14566	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	418.171
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68525	0.2
53.03955	0.3
55.01860	0.2
57.03441	0.8
59.08409	0.2
69.03138	0.2
69.03440	2.0
70.06579	0.5
72.08157	0.4
73.02926	0.3
78.80380	0.2
79.05497	1.8
81.03422	0.3
84.08118	0.2
85.02902	1.7
87.04475	1.0
91.05475	0.4
96.04536	0.3
97.02897	1.3
105.04530	0.2
106.06562	100.0
107.06892	0.5
108.08107	0.5
112.03973	0.7
115.03930	1.1
116.07085	0.3
118.06546	2.8
120.08134	0.3
122.02389	0.2
123.04428	0.5
124.03968	0.2
124.07600	0.7
130.06509	0.9
132.08070	0.2
133.05002	0.8
134.06058	0.2
135.04482	0.3
139.03944	0.5
147.04417	0.3
148.07585	1.8
151.03856	1.1
160.07510	0.2
163.03915	1.3
170.05759	0.2
170.08142	0.3
190.08571	0.2
212.72156	0.2
238.10768	3.6
250.10828	0.4
256.12024	0.3
266.06934	0.2
268.11923	0.3
286.12930	0.3
303.08710	1.2
377.08636	0.5
418.16574	0.4
419.14719	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	418.1709
Annotation	Unknow
Peak:m/z	Relative Intensity
51.16547	0.5
55.05494	0.6
56.41780	0.5
57.03442	3.1
59.04988	0.8
65.03941	1.4
69.03430	4.0
70.06582	1.7
71.01366	1.2
71.04991	1.0
71.44223	0.9
72.08151	5.3
73.02923	0.8
73.08493	0.8
75.04480	1.8
79.05466	0.5
81.03419	0.8
81.07069	0.8
83.04927	0.6
84.95269	0.6
85.02906	9.2
87.00848	1.0
87.04466	1.4
88.41744	0.5
91.05482	100.0
93.07085	0.6
97.02904	6.6
99.00805	1.8
99.04449	1.1
111.04477	1.1
113.02380	1.0
113.05995	0.8
116.07095	1.6
119.08542	0.5
121.02875	24.6
123.04459	0.9
127.03900	5.0
131.03412	1.4
137.05968	7.1
139.03899	1.4
141.01849	0.8
145.04959	1.5
151.04147	0.5
153.05476	28.8
163.03932	0.6
167.07097	0.5
169.04955	2.1
170.05298	1.7
173.04436	1.0
184.72812	0.6
191.76785	0.6
193.08615	54.2
211.09650	19.4
221.08168	2.1
231.05063	0.8
235.58076	0.6
291.12119	0.6
331.49106	0.6
383.13571	1.3
417.27588	1.4
418.17194	1.7
418.27811	27.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	418.1498
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02378	0.8
51.89935	0.5
55.01874	1.2
59.17719	0.5
64.10668	0.5
65.03947	0.7
67.05498	1.1
69.03423	0.9
69.62105	3.3
70.06594	16.0
72.08156	0.9
78.58860	0.5
81.03404	1.0
85.02891	1.0
91.05480	1.4
95.04961	1.8
97.02887	0.6
105.03378	1.0
107.04987	0.8
109.02884	1.1
111.04467	0.7
112.03986	1.7
116.07098	30.6
119.04161	0.6
119.04927	3.8
119.08515	0.5
123.04433	30.5
124.03957	0.6
127.03937	1.0
133.02792	0.5
135.04424	3.2
137.02373	0.8
137.05992	0.9
139.03911	13.3
143.04872	0.9
147.03249	0.8
147.04425	14.3
147.08006	0.6
151.03908	79.1
152.04222	1.0
153.05457	2.1
161.06052	2.5
163.03915	6.1
165.05473	8.1
170.08121	0.8
173.06029	2.7
175.03889	2.2
175.07568	1.7
176.07892	1.4
177.05476	1.7
179.07043	0.5
181.04968	5.5
182.17625	0.5
187.03926	0.7
189.05472	1.0
193.04985	4.6
197.05853	0.7
199.07539	0.6
203.03404	7.4
204.06631	0.6
207.06543	2.6
215.06953	1.1
217.08609	1.8
231.02910	2.1
243.06367	0.8
257.08026	0.6
261.07587	0.9
266.06592	5.4
266.09897	0.9
267.06488	0.8
268.89963	0.6
278.06653	1.0
285.07492	2.6
297.09381	0.6
303.08640	100.0
304.08932	1.4
418.21936	0.6
418.27588	1.2
419.12845	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	418.1499
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	1.9
67.05498	0.9
67.15914	0.5
69.03422	1.1
70.06586	4.6
70.26689	1.1
70.27074	1.2
72.08142	0.9
79.05486	1.1
81.03436	0.6
81.07043	0.5
83.04991	0.5
85.02915	0.9
86.09715	0.6
91.05472	2.2
93.03413	0.6
95.04971	1.7
97.02872	1.5
102.07455	0.6
105.03378	0.9
105.06982	0.6
106.06532	0.6
107.04942	1.0
109.02884	1.7
111.04442	1.0
112.03977	9.0
116.07101	6.6
119.04948	4.9
119.08590	2.2
120.01166	1.1
120.08904	1.9
121.02868	0.6
123.04438	29.9
124.03932	0.7
125.00565	0.7
127.03913	0.7
135.04439	3.4
137.02333	0.8
137.06033	0.8
139.03906	12.0
143.04866	0.6
147.04411	18.0
147.08034	1.7
148.08389	0.9
151.03914	56.6
153.05457	2.7
161.06013	2.7
163.03908	8.1
165.05478	7.3
169.88170	0.6
170.08174	2.8
173.05980	4.0
175.03885	1.1
175.07545	11.6
176.07892	13.1
177.05423	0.9
179.03352	0.9
179.06987	1.4
181.04985	7.1
189.05556	1.0
193.04942	5.0
197.05981	0.8
207.06580	3.0
208.05106	1.0
215.07039	0.6
217.08656	2.0
239.07076	0.9
243.06619	1.0
267.06561	0.7
285.07620	2.2
296.51962	0.6
297.09811	2.2
303.08643	100.0
304.09036	1.7
418.12308	1.7
418.27841	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	418.1346
Annotation	Unknow
Peak:m/z	Relative Intensity
53.59188	0.6
57.03437	3.7
61.47447	0.7
65.03930	1.3
66.20271	0.7
67.05500	1.5
68.58577	0.6
69.03428	4.0
70.06589	2.0
70.76787	1.7
71.01352	1.4
71.04997	1.0
71.57822	0.7
72.08166	7.0
73.08482	1.6
75.04489	1.1
75.36389	0.8
81.07063	1.5
85.02911	9.2
87.04471	2.0
91.05486	100.0
95.04973	0.7
97.02909	7.6
99.00837	1.1
99.04464	2.3
103.03945	0.9
104.24139	0.7
105.07060	1.2
111.04454	1.1
111.08147	0.8
113.02438	1.3
116.07098	1.2
119.08663	0.8
121.02876	38.2
127.03912	4.7
131.03438	1.3
131.08636	0.9
134.09671	0.9
136.07658	0.8
137.05974	6.7
139.03941	2.0
145.04988	2.9
153.05479	38.6
169.05049	0.8
173.04552	0.9
177.01540	0.8
193.08626	52.9
211.09692	17.1
221.08188	1.7
231.05045	0.8
321.84686	0.8
383.13474	2.2
417.27551	0.8
418.17627	1.7
418.27863	28.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.2749
Annotation	Oleoyl 3-carbacyclic Phosphatidic Acid
Peak:m/z	Relative Intensity
52.28006	0.1
55.05489	0.1
69.03436	0.2
70.06591	0.9
71.04980	0.1
71.52581	0.1
72.08155	25.0
73.08466	0.2
79.29926	0.1
79.74159	0.1
81.04647	0.1
83.53572	0.1
85.02905	0.6
86.09699	0.5
91.05477	0.3
91.46391	0.1
93.07036	0.1
96.04498	0.2
97.02937	0.2
119.65527	0.1
122.06000	0.4
123.04407	0.2
123.54466	0.1
129.05444	0.2
134.06030	0.2
138.93922	0.1
149.10625	0.1
165.01779	0.3
165.10222	0.9
176.10735	0.2
215.46552	0.1
219.02963	0.3
224.09212	0.2
255.19902	0.2
285.07877	0.2
297.07724	0.2
339.08582	0.3
348.21384	0.1
358.20111	1.6
399.26559	0.3
400.19403	0.2
400.24826	4.9
417.27460	100.0
418.27805	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.1547
Annotation	Comazaphilone C
Peak:m/z	Relative Intensity
53.03924	0.9
55.01868	1.5
55.05507	1.3
56.96544	0.9
57.03425	0.8
61.02915	0.8
65.03922	3.0
65.19046	0.6
67.05505	3.4
68.99776	0.9
69.03407	3.1
69.07056	1.3
71.04996	0.7
71.52570	0.8
72.08139	1.0
78.04698	3.1
79.05489	5.9
81.03403	2.2
81.07042	2.6
82.04202	1.6
83.04958	0.9
83.08608	0.8
84.08095	0.8
85.02918	4.6
86.09696	0.9
91.05467	3.2
93.03416	1.3
93.07036	2.4
95.04965	2.9
95.08600	1.9
97.02882	1.9
97.06515	2.6
98.97563	1.1
103.05462	5.7
105.03375	0.9
105.07060	3.4
106.04178	1.4
107.04964	7.7
107.08573	2.2
109.02890	1.0
109.10135	0.8
110.03661	2.1
111.04439	1.0
111.08099	0.7
115.05476	3.6
117.07019	5.9
118.04176	1.2
119.08583	2.3
121.06453	0.9
121.10130	1.1
123.04438	8.7
123.11686	0.7
124.05213	2.8
125.06002	1.6
127.05435	0.8
131.04941	5.1
131.08560	1.1
133.06512	1.4
133.10101	1.3
135.08046	0.9
135.11638	1.0
136.76968	0.8
137.02351	0.8
137.06013	1.7
138.03102	1.2
139.03888	4.7
142.02592	1.5
145.06496	8.4
145.10117	1.5
147.08041	1.3
148.05173	2.9
151.03937	4.0
151.06346	0.8
151.11162	0.8
152.04659	2.9
153.05479	1.5
155.06079	3.3
157.10036	0.8
159.08054	1.3
159.11594	0.8
161.05983	1.0
161.09630	0.8
161.13333	0.8
163.03914	4.0
163.07562	5.5
163.26666	0.7
165.05414	1.0
167.07048	100.0
171.06563	1.6
173.06006	17.6
175.07594	1.6
176.04761	0.9
177.09117	1.7
179.06921	1.1
181.04967	60.6
182.05315	0.8
187.07550	1.0
188.07033	0.9
189.05501	0.9
191.07045	17.4
195.06572	2.9
201.05399	1.2
201.16351	0.8
205.08566	4.5
207.06590	0.9
209.08054	1.0
217.08675	1.7
219.10147	1.9
221.08165	1.0
233.08115	6.8
235.09734	3.1
247.07535	0.8
259.09738	0.9
262.11935	1.0
263.09018	0.9
277.08807	0.7
304.53613	0.7
329.10135	1.1
339.12274	0.9
343.36578	0.7
357.13550	1.3
367.11798	0.9
371.14981	0.9
371.23764	1.0
381.13254	2.1
385.12997	0.8
387.14371	14.2
399.14407	2.5
399.23712	2.3
417.15515	40.7
417.27954	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.1548
Annotation	Comazaphilone C
Peak:m/z	Relative Intensity
53.03934	1.2
55.01859	0.9
57.03410	0.6
63.43199	0.4
64.90408	0.4
65.03931	1.4
67.05490	1.7
67.81299	0.5
68.58981	0.6
69.03412	1.0
69.07051	0.6
69.28023	3.5
70.06583	0.8
72.08160	1.1
77.03923	0.5
78.04706	1.9
79.05487	2.0
81.03407	1.0
81.07047	1.9
83.04980	0.8
84.08149	0.5
85.02917	2.9
86.09698	1.7
91.05488	2.2
93.03394	0.4
93.07034	1.0
95.04955	1.6
95.08615	1.0
97.02895	1.3
97.06538	1.2
98.21507	0.8
98.97571	1.1
101.06049	0.4
103.05488	2.0
103.21381	0.4
105.03329	0.4
105.07033	1.4
106.04168	1.1
107.04979	2.1
107.08586	0.9
109.02875	0.8
109.06523	0.9
109.10161	1.0
110.03659	0.6
111.04461	0.5
111.08067	0.6
115.05462	3.9
117.07017	5.1
119.04942	0.5
119.08580	0.8
121.78844	0.4
122.03661	0.8
123.04442	8.3
124.05222	2.4
125.06011	0.5
127.03928	0.5
127.05415	1.0
129.07060	0.5
131.04910	0.6
131.08571	0.5
133.10133	0.7
137.06015	2.5
139.03883	1.8
142.02600	0.7
144.05714	0.8
145.06485	8.7
147.04384	1.2
147.08112	0.6
151.03912	1.9
151.07529	0.6
152.04666	1.9
153.05388	0.6
155.06023	3.5
157.06543	0.5
160.05063	0.5
161.06032	1.0
163.03954	1.2
163.07468	0.7
165.05515	0.5
167.07045	100.0
168.07445	0.7
169.12238	0.6
171.06581	1.1
173.05995	16.0
175.03915	0.9
175.07529	1.0
177.05428	0.7
179.07140	0.8
181.04965	24.2
188.05016	0.4
189.05620	0.4
189.09048	0.6
191.07010	2.7
193.08670	0.6
201.05533	0.6
201.09062	0.5
203.07097	0.7
205.08650	3.7
207.06480	0.9
217.08592	0.7
222.03896	0.6
233.08093	8.3
234.11229	0.5
235.07454	0.7
235.09663	4.3
251.14978	0.4
265.10745	0.4
298.48889	0.4
329.10208	0.5
339.08978	0.5
355.11429	0.6
367.09058	0.5
369.30466	0.5
381.13083	0.9
382.03769	0.4
384.12314	0.5
385.09909	0.4
385.12704	0.5
386.28149	0.5
387.14404	15.3
399.14236	1.0
416.29861	1.9
417.15472	40.0
417.30472	11.3
418.15634	1.0
420.99683	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.1183
Annotation	Daidzin
Peak:m/z	Relative Intensity
51.74594	0.3
52.02547	0.2
55.01851	0.3
57.03423	0.4
59.04983	0.3
60.04548	0.3
61.02922	0.6
65.03963	0.4
67.01847	0.7
67.05492	1.0
68.99799	0.5
69.03439	1.4
69.03745	0.3
71.05000	0.4
72.08149	0.9
79.05489	0.6
81.03405	0.5
81.07030	0.7
82.06539	0.3
85.02901	3.7
91.05508	0.4
93.07034	0.5
95.04993	0.3
95.08603	0.5
97.02905	1.4
97.06549	0.4
99.04456	0.4
103.05466	1.3
105.03370	0.4
105.07006	0.5
107.04963	0.7
109.06552	0.4
109.10120	0.5
115.05386	0.3
117.07032	0.5
119.08521	0.3
123.04417	0.9
127.03939	0.7
129.03377	0.5
130.05061	0.3
131.04834	0.5
133.10112	0.3
145.04922	0.3
145.06532	0.7
145.10172	0.3
146.20886	0.3
147.04442	0.3
153.01826	2.7
167.07036	8.9
173.06030	1.0
181.04951	3.9
183.79312	0.3
191.07025	0.8
205.08749	0.4
209.06003	0.3
233.08012	0.8
255.06523	100.0
256.06873	1.1
267.06485	0.4
326.64395	0.3
357.13382	0.4
361.56790	0.3
387.14496	1.4
417.15411	2.9
417.21231	1.0
417.28195	0.5
418.25925	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.1183
Annotation	Unknow
Peak:m/z	Relative Intensity
51.74594	0.3
52.02547	0.2
55.01851	0.3
57.03423	0.4
59.04983	0.3
60.04548	0.3
61.02922	0.6
65.03963	0.4
67.01847	0.7
67.05492	1.0
68.99799	0.5
69.03439	1.4
69.03745	0.3
71.05000	0.4
72.08149	0.9
79.05489	0.6
81.03405	0.5
81.07030	0.7
82.06539	0.3
85.02901	3.7
91.05508	0.4
93.07034	0.5
95.04993	0.3
95.08603	0.5
97.02905	1.4
97.06549	0.4
99.04456	0.4
103.05466	1.3
105.03370	0.4
105.07006	0.5
107.04963	0.7
109.06552	0.4
109.10120	0.5
115.05386	0.3
117.07032	0.5
119.08521	0.3
123.04417	0.9
127.03939	0.7
129.03377	0.5
130.05061	0.3
131.04834	0.5
133.10112	0.3
145.04922	0.3
145.06532	0.7
145.10172	0.3
146.20886	0.3
147.04442	0.3
153.01826	2.7
167.07036	8.9
173.06030	1.0
181.04951	3.9
183.79312	0.3
191.07025	0.8
205.08749	0.4
209.06003	0.3
233.08012	0.8
255.06523	100.0
256.06873	1.1
267.06485	0.4
326.64395	0.3
357.13382	0.4
361.56790	0.3
387.14496	1.4
417.15411	2.9
417.21231	1.0
417.28195	0.5
418.25925	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	416.2432
Annotation	Smenospongine C
Peak:m/z	Relative Intensity
55.01875	0.4
55.05496	0.3
60.65976	0.3
65.45586	0.3
67.05488	1.1
69.03439	1.9
70.06567	0.7
70.57114	1.1
72.08138	0.3
74.95482	0.3
79.05471	1.4
81.07071	1.6
81.20582	0.2
86.06066	7.3
86.09726	0.4
91.05478	4.0
93.07041	1.8
93.33182	0.3
95.08602	0.9
96.04456	0.5
97.02872	0.4
101.76852	0.4
105.07019	2.5
106.06516	0.7
107.08575	1.3
108.04446	0.3
109.06534	0.3
110.06049	1.0
117.07004	2.3
119.08565	1.8
120.08124	0.9
121.06509	0.4
121.10162	0.5
122.06035	3.7
122.09696	0.3
124.07548	0.6
128.06270	0.3
129.06990	1.2
131.08575	2.8
133.10118	2.0
134.06030	3.6
134.09618	0.7
135.08057	0.8
135.11710	0.7
136.07578	2.5
141.06946	0.5
143.08568	2.3
144.08076	0.4
145.06482	0.9
145.09050	0.6
145.10123	5.7
146.05986	0.5
146.09682	0.5
147.04411	0.4
147.11711	1.7
148.07567	3.1
149.09572	0.3
150.09129	2.4
155.08524	1.1
157.10120	2.1
158.09676	0.3
159.08020	0.4
159.10510	0.3
159.11711	1.3
160.07549	1.0
160.11211	0.4
161.13219	0.4
162.09148	11.1
163.07463	0.4
164.07074	0.4
164.10725	0.5
167.08444	0.4
169.10143	1.3
169.91583	0.3
171.11699	0.8
172.07584	0.5
173.09502	0.3
173.13263	1.3
174.09186	1.5
175.11131	0.4
175.14757	0.5
176.10701	4.8
178.08603	0.7
181.10110	0.8
183.11671	1.1
185.13254	1.1
186.09184	0.9
188.10733	1.2
189.12704	0.4
190.08670	1.9
193.10170	0.6
195.11633	0.7
197.13297	0.8
199.14871	0.8
200.10718	0.8
202.12312	1.5
203.14337	0.6
204.10184	1.5
206.11046	0.3
207.11659	0.7
208.12346	0.3
209.13266	1.1
211.11043	0.3
211.14812	0.5
214.12190	0.8
216.13873	0.4
217.10086	0.3
221.13242	1.2
225.16257	0.5
228.10165	0.6
230.11739	1.3
237.12805	0.5
239.14331	0.6
240.13698	0.6
249.12807	0.5
249.16415	1.0
252.13826	0.4
254.15569	0.5
266.15378	0.7
267.17572	1.5
268.16953	0.4
277.15906	0.9
278.15369	0.6
283.36682	0.3
285.18564	0.7
294.18530	0.8
295.16904	1.0
296.16464	0.4
296.20117	0.6
303.34036	0.3
306.18494	0.6
312.19644	2.0
313.18176	0.4
322.17865	0.3
324.19577	2.5
330.20602	9.4
331.18866	1.6
334.21588	0.9
342.20627	12.1
352.22675	4.9
362.21072	0.8
370.23761	50.0
371.24045	1.0
372.17172	0.4
377.20978	0.3
380.22232	2.5
398.23248	100.0
399.23590	2.2
416.24295	93.1
417.15704	0.3
417.24600	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.2958
Annotation	Unknow
Peak:m/z	Relative Intensity
51.08540	0.1
52.59978	0.2
55.05523	0.3
56.96566	0.2
57.03424	0.2
58.62059	0.1
59.04987	0.3
61.02918	0.5
67.05491	0.4
69.03419	0.3
69.07035	0.3
70.06576	0.5
71.52851	0.3
72.08162	1.8
79.05497	0.3
81.03416	0.3
81.07042	0.5
84.08129	0.2
85.02912	0.8
86.09698	0.8
91.03955	0.3
91.05470	0.4
93.07043	0.2
94.25394	0.2
95.04973	0.2
95.08590	0.4
97.02899	1.0
97.06503	0.3
98.09703	0.8
98.97567	0.3
99.10011	0.3
105.07037	0.2
107.04968	0.4
107.08624	0.3
109.06552	0.2
109.10147	0.4
112.09951	0.2
114.90617	0.2
119.08567	0.4
121.02861	0.5
121.06491	0.2
121.10112	0.2
123.04419	0.4
125.64344	0.2
126.09136	0.2
127.03889	0.3
133.10060	0.2
135.08023	0.2
136.07559	0.2
137.05981	0.3
139.03918	0.4
143.08646	0.2
143.11794	0.2
145.10127	0.2
147.09146	0.2
147.11705	0.2
149.05907	0.2
149.09695	0.3
149.10744	1.2
150.11494	0.6
151.08655	0.3
155.08478	0.2
157.10129	0.2
162.11534	0.5
163.03859	0.4
163.12337	0.4
164.09445	2.2
165.10234	0.3
167.07011	0.5
175.12318	0.4
177.27939	0.1
179.11794	4.6
181.05002	0.4
195.06404	0.2
195.63754	0.2
201.13872	0.3
203.15462	0.7
215.15433	0.6
216.16191	0.3
217.08662	0.8
218.08943	1.0
263.11023	0.4
280.00897	0.2
289.03314	0.2
290.04263	0.2
303.77191	0.1
309.23251	0.5
310.24014	0.1
315.32663	0.2
325.22726	0.3
342.20627	0.2
353.26196	0.2
365.25699	0.4
367.27426	0.4
369.25360	0.6
383.26913	2.6
384.27710	7.0
385.24249	0.2
385.28696	1.3
398.26675	0.2
415.18140	3.7
415.29544	100.0
416.29813	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	415.1575
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	0.8
55.05507	1.4
56.96564	1.2
57.07063	0.8
67.05501	1.7
69.03421	1.7
69.07046	1.7
70.06585	1.6
71.52733	0.8
72.08150	2.2
73.02916	0.8
79.05508	3.3
80.30624	0.7
81.03395	1.0
81.07056	3.4
84.22408	0.7
85.02903	2.1
91.05488	2.7
93.07040	2.9
95.04963	1.3
95.08611	2.0
97.02899	2.8
97.06517	2.5
98.09776	0.9
105.07027	2.2
107.04946	2.4
107.08588	1.7
109.02874	0.7
109.06512	1.4
109.10157	1.4
111.08076	1.3
119.08550	2.7
121.06561	1.0
121.10145	1.7
123.04417	1.0
123.08040	0.8
127.00052	1.4
127.18304	0.7
131.08553	1.4
133.10112	1.0
135.11690	0.9
137.05992	0.9
139.03926	4.1
145.10126	1.9
147.11690	1.2
151.21181	0.7
159.11668	1.2
163.03932	2.6
165.09100	0.8
167.03223	3.9
167.07059	4.4
167.10454	1.1
173.13268	1.2
181.04973	2.9
185.04227	1.8
191.03429	1.9
195.06500	4.3
200.45959	0.8
201.58966	0.7
221.05017	1.0
227.05254	8.6
233.07939	0.9
241.71703	0.7
253.03256	0.9
271.04279	29.9
291.06906	0.7
323.19653	0.9
329.15344	1.6
371.16791	11.5
387.14194	0.8
415.15775	100.0
415.25732	3.1
416.16357	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	414.3216
Annotation	Unknow
Peak:m/z	Relative Intensity
53.08583	2.8
55.05527	7.3
56.96571	16.9
57.03430	4.8
61.02921	12.4
61.82954	3.0
67.05199	4.0
67.05503	26.8
67.26717	2.9
69.03419	4.9
69.07072	19.1
69.60322	2.9
71.04980	3.8
71.08634	9.1
71.52454	3.9
73.02938	4.6
78.65362	3.1
79.05497	18.3
81.03441	5.8
81.07061	22.5
83.04976	6.7
83.08606	4.5
85.02901	7.7
85.06546	5.6
86.09700	5.1
91.05476	15.2
92.62531	3.1
93.07047	25.0
95.08606	14.8
97.02898	6.4
97.06558	5.4
98.97580	7.5
99.08104	10.0
104.10739	5.0
105.07037	11.7
107.08601	18.8
109.10155	19.0
109.46844	3.0
112.99174	3.1
116.98644	3.5
117.06940	3.1
119.08595	37.9
121.10138	13.6
123.11697	2.9
129.45705	3.0
131.00185	3.7
133.10136	10.2
135.08110	4.3
135.11674	17.2
147.11717	6.0
149.13281	5.1
167.80829	3.2
179.14297	33.6
184.07405	5.5
185.29686	3.2
204.38150	3.0
211.06451	4.6
229.07439	36.6
229.14438	8.0
243.08855	5.8
247.08595	17.8
248.11786	3.6
259.20456	3.9
266.63940	8.9
267.08969	10.0
270.10263	4.4
277.21634	23.6
285.10062	13.3
351.21149	6.9
351.25302	100.0
353.17917	7.1
373.16797	3.4
397.16321	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	414.3216
Annotation	Unknow
Peak:m/z	Relative Intensity
53.08583	2.8
55.05527	7.3
56.96571	16.9
57.03430	4.8
61.02921	12.4
61.82954	3.0
67.05199	4.0
67.05503	26.8
67.26717	2.9
69.03419	4.9
69.07072	19.1
69.60322	2.9
71.04980	3.8
71.08634	9.1
71.52454	3.9
73.02938	4.6
78.65362	3.1
79.05497	18.3
81.03441	5.8
81.07061	22.5
83.04976	6.7
83.08606	4.5
85.02901	7.7
85.06546	5.6
86.09700	5.1
91.05476	15.2
92.62531	3.1
93.07047	25.0
95.08606	14.8
97.02898	6.4
97.06558	5.4
98.97580	7.5
99.08104	10.0
104.10739	5.0
105.07037	11.7
107.08601	18.8
109.10155	19.0
109.46844	3.0
112.99174	3.1
116.98644	3.5
117.06940	3.1
119.08595	37.9
121.10138	13.6
123.11697	2.9
129.45705	3.0
131.00185	3.7
133.10136	10.2
135.08110	4.3
135.11674	17.2
147.11717	6.0
149.13281	5.1
167.80829	3.2
179.14297	33.6
184.07405	5.5
185.29686	3.2
204.38150	3.0
211.06451	4.6
229.07439	36.6
229.14438	8.0
243.08855	5.8
247.08595	17.8
248.11786	3.6
259.20456	3.9
266.63940	8.9
267.08969	10.0
270.10263	4.4
277.21634	23.6
285.10062	13.3
351.21149	6.9
351.25302	100.0
353.17917	7.1
373.16797	3.4
397.16321	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	414.2643
Annotation	Yesodine
Peak:m/z	Relative Intensity
55.05507	2.5
56.96547	1.0
57.07079	1.3
67.05499	4.7
68.05027	1.9
68.58689	0.5
69.03420	1.7
69.07066	3.1
70.06594	33.7
71.04993	0.9
71.52733	1.0
72.08143	1.9
79.05499	4.6
80.05013	0.9
81.03444	1.3
81.05801	0.9
81.07056	6.0
83.04967	2.0
83.08618	2.1
84.08125	1.0
85.02903	1.5
85.06538	2.2
87.04473	1.7
91.03980	0.6
91.05483	7.0
93.07041	7.5
94.06570	1.7
95.04962	2.5
95.08626	3.9
96.08151	4.2
97.02896	1.3
97.06528	2.6
98.06071	1.9
98.97588	2.1
100.07619	10.1
101.63264	0.7
101.91660	0.6
103.05509	0.9
105.07034	13.2
106.06590	0.7
107.08596	7.5
108.08157	1.6
109.06522	4.9
109.10154	3.1
110.09673	0.7
114.05539	4.2
116.07104	2.4
117.07030	2.9
119.08590	12.6
120.08119	4.3
121.06549	1.4
121.10143	3.5
122.09663	3.3
123.04425	2.1
123.08079	2.8
123.10523	0.6
125.05990	1.1
125.09641	1.0
128.06244	1.5
128.07088	13.7
129.07053	3.4
130.07730	0.9
131.08568	9.0
132.08054	0.8
133.10149	6.3
134.09633	2.3
135.08099	2.0
135.11673	1.1
136.11221	3.6
137.09607	1.9
139.03967	1.3
140.07086	0.6
140.10725	0.8
141.07024	1.1
142.07773	4.0
143.08554	6.9
144.09332	2.2
145.10130	14.6
146.09630	1.5
147.08046	2.7
147.10562	1.2
147.11691	4.2
148.11212	3.5
149.09631	1.4
151.06322	1.1
154.08662	2.1
155.08543	2.3
155.10619	0.7
156.09317	3.5
157.10130	10.7
158.09647	0.6
158.10909	1.4
159.08063	1.9
159.11690	3.9
160.11244	1.6
161.09653	1.0
161.13283	0.9
162.12778	2.3
163.11218	1.6
165.09117	3.7
166.08670	1.7
166.59026	0.6
167.08490	0.9
168.10231	28.3
169.10168	2.9
170.10927	0.9
171.11690	5.4
172.11217	0.9
173.09708	0.9
173.13261	3.8
175.11192	3.1
178.08633	6.0
181.05017	0.8
181.09991	1.2
181.12311	1.7
182.10829	1.3
183.11740	3.9
185.13298	4.0
186.12791	0.9
187.14807	1.4
190.15956	2.7
192.10231	2.9
193.10020	1.5
194.11848	5.8
195.11685	2.9
197.13254	3.7
199.11229	1.1
199.14824	3.8
200.10591	0.7
202.15947	0.8
203.03432	1.5
203.14359	2.4
207.11670	1.0
207.13783	0.6
209.13271	2.3
211.14830	0.9
214.15875	0.7
215.14423	2.8
220.12991	0.7
221.13391	0.7
221.15366	15.1
223.14861	3.1
225.16437	1.5
227.14272	0.8
230.11826	0.8
232.13326	1.5
234.14912	3.2
246.14890	1.4
256.38275	0.7
258.14890	1.1
260.16739	0.9
262.06927	0.7
265.19598	2.7
272.16489	1.1
281.19092	1.5
283.20612	1.0
299.20044	2.0
301.21771	0.8
312.19608	0.8
337.06866	0.8
340.19135	0.7
352.26401	1.2
354.10602	0.9
356.22253	1.9
370.27469	6.8
395.02063	0.7
396.25461	2.4
414.26453	100.0
415.26666	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	414.1758
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03425	0.6
70.06594	11.9
71.06023	0.5
79.05483	0.8
81.07052	2.4
85.02914	0.3
90.23752	0.2
91.05480	0.2
98.99899	0.2
109.06532	2.2
116.07095	25.6
127.32973	0.2
135.04379	0.2
137.05980	100.0
138.06317	0.9
163.03914	1.0
252.12326	6.0
262.65152	0.2
414.17618	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	414.2643
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	2.5
56.96547	1.0
57.07079	1.3
67.05499	4.7
68.05027	1.9
68.58689	0.5
69.03420	1.7
69.07066	3.1
70.06594	33.7
71.04993	0.9
71.52733	1.0
72.08143	1.9
79.05499	4.6
80.05013	0.9
81.03444	1.3
81.05801	0.9
81.07056	6.0
83.04967	2.0
83.08618	2.1
84.08125	1.0
85.02903	1.5
85.06538	2.2
87.04473	1.7
91.03980	0.6
91.05483	7.0
93.07041	7.5
94.06570	1.7
95.04962	2.5
95.08626	3.9
96.08151	4.2
97.02896	1.3
97.06528	2.6
98.06071	1.9
98.97588	2.1
100.07619	10.1
101.63264	0.7
101.91660	0.6
103.05509	0.9
105.07034	13.2
106.06590	0.7
107.08596	7.5
108.08157	1.6
109.06522	4.9
109.10154	3.1
110.09673	0.7
114.05539	4.2
116.07104	2.4
117.07030	2.9
119.08590	12.6
120.08119	4.3
121.06549	1.4
121.10143	3.5
122.09663	3.3
123.04425	2.1
123.08079	2.8
123.10523	0.6
125.05990	1.1
125.09641	1.0
128.06244	1.5
128.07088	13.7
129.07053	3.4
130.07730	0.9
131.08568	9.0
132.08054	0.8
133.10149	6.3
134.09633	2.3
135.08099	2.0
135.11673	1.1
136.11221	3.6
137.09607	1.9
139.03967	1.3
140.07086	0.6
140.10725	0.8
141.07024	1.1
142.07773	4.0
143.08554	6.9
144.09332	2.2
145.10130	14.6
146.09630	1.5
147.08046	2.7
147.10562	1.2
147.11691	4.2
148.11212	3.5
149.09631	1.4
151.06322	1.1
154.08662	2.1
155.08543	2.3
155.10619	0.7
156.09317	3.5
157.10130	10.7
158.09647	0.6
158.10909	1.4
159.08063	1.9
159.11690	3.9
160.11244	1.6
161.09653	1.0
161.13283	0.9
162.12778	2.3
163.11218	1.6
165.09117	3.7
166.08670	1.7
166.59026	0.6
167.08490	0.9
168.10231	28.3
169.10168	2.9
170.10927	0.9
171.11690	5.4
172.11217	0.9
173.09708	0.9
173.13261	3.8
175.11192	3.1
178.08633	6.0
181.05017	0.8
181.09991	1.2
181.12311	1.7
182.10829	1.3
183.11740	3.9
185.13298	4.0
186.12791	0.9
187.14807	1.4
190.15956	2.7
192.10231	2.9
193.10020	1.5
194.11848	5.8
195.11685	2.9
197.13254	3.7
199.11229	1.1
199.14824	3.8
200.10591	0.7
202.15947	0.8
203.03432	1.5
203.14359	2.4
207.11670	1.0
207.13783	0.6
209.13271	2.3
211.14830	0.9
214.15875	0.7
215.14423	2.8
220.12991	0.7
221.13391	0.7
221.15366	15.1
223.14861	3.1
225.16437	1.5
227.14272	0.8
230.11826	0.8
232.13326	1.5
234.14912	3.2
246.14890	1.4
256.38275	0.7
258.14890	1.1
260.16739	0.9
262.06927	0.7
265.19598	2.7
272.16489	1.1
281.19092	1.5
283.20612	1.0
299.20044	2.0
301.21771	0.8
312.19608	0.8
337.06866	0.8
340.19135	0.7
352.26401	1.2
354.10602	0.9
356.22253	1.9
370.27469	6.8
395.02063	0.7
396.25461	2.4
414.26453	100.0
415.26666	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	414.1757
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22974	0.4
53.03916	0.9
54.87291	0.4
55.05498	0.4
56.05032	3.5
56.96544	0.4
57.03417	1.2
61.02898	1.9
69.03432	5.6
69.44067	0.4
69.44383	3.2
70.06562	1.0
70.42079	0.4
71.04962	0.5
72.08153	0.4
73.02896	0.4
74.02446	2.5
75.99390	0.4
81.03415	2.1
82.06599	2.1
84.04520	0.6
84.08142	0.7
85.02904	10.7
86.09695	0.5
87.04455	1.2
89.03892	0.4
91.03951	0.7
91.05448	0.7
95.26609	0.4
97.02886	4.0
98.21589	0.5
99.04434	0.9
105.06996	0.5
109.02843	1.6
109.06504	1.2
111.31596	0.4
117.06982	1.2
121.06480	1.8
123.04380	0.5
124.07603	7.1
125.05966	0.8
127.03940	2.2
128.07076	2.2
135.04401	0.8
135.08035	1.7
136.06146	1.0
137.05974	24.7
145.02832	1.0
145.04919	1.2
145.06548	1.1
145.10110	2.3
147.04431	0.6
147.08031	1.2
149.05954	1.3
155.08543	0.6
158.07253	1.5
161.05969	1.0
161.09595	1.9
162.04103	0.9
163.03886	4.9
163.07541	13.9
164.10664	1.0
173.09624	7.8
177.05457	0.6
179.10599	0.9
188.10727	0.6
189.09132	4.6
190.12231	3.6
191.10675	2.4
199.07542	0.5
206.11772	25.5
208.13298	0.5
217.08627	0.9
234.11293	0.6
235.09616	1.6
252.12315	100.0
253.12604	1.5
282.10001	0.6
310.21402	0.5
396.16339	0.5
414.17612	26.1
415.17920	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	414.17
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02378	0.5
53.03938	0.8
53.63093	0.3
58.88303	0.3
63.55291	0.3
67.46631	0.4
71.53522	0.6
74.93257	0.3
75.23621	0.3
78.03488	1.5
78.03859	0.3
91.05458	0.4
95.04962	0.8
96.04492	100.0
97.04861	0.5
105.07040	0.7
115.05463	0.9
119.04958	0.9
119.08595	0.7
128.06235	2.4
129.07019	5.7
133.06468	0.7
134.07297	0.4
136.07600	1.1
141.06975	2.7
155.04907	0.8
156.05699	1.1
157.06488	1.1
161.76100	0.3
168.05737	0.7
169.06569	0.4
172.05238	0.4
183.04390	0.7
184.05243	1.8
185.04285	0.5
185.05962	8.6
203.08566	0.6
205.10161	0.4
221.09683	0.9
231.08034	0.5
249.09161	1.3
277.08572	4.9
277.11261	0.5
319.13293	7.6
414.16910	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	413.1417
Annotation	t(6)a
Peak:m/z	Relative Intensity
54.30590	0.5
56.05016	0.5
56.96558	1.6
57.03434	0.8
69.03417	1.6
69.07057	0.7
69.44275	4.0
70.06577	2.4
72.08148	1.7
73.02882	0.8
74.06066	2.8
74.17820	0.5
81.83532	0.5
82.71409	0.5
83.04958	0.7
84.96013	0.7
85.02902	1.6
87.04475	0.8
89.03947	3.1
90.04193	0.7
96.08175	0.5
97.02883	0.8
98.97585	3.9
102.05547	1.3
107.04954	0.8
112.99078	0.5
116.98660	0.9
117.03381	2.8
118.03761	0.6
119.03563	2.8
120.06574	8.9
121.06501	0.8
128.98532	0.6
135.04411	5.0
136.06187	100.0
137.04639	1.3
137.05934	1.2
142.08640	0.8
143.00114	1.2
145.02876	2.9
146.03160	0.8
154.08643	0.6
158.99706	1.3
161.01248	0.9
162.04120	63.2
163.03903	22.5
164.04262	3.2
170.99673	0.8
189.00673	0.7
219.01802	1.7
236.06305	0.7
237.02565	0.7
251.05812	0.5
268.10355	1.2
281.09930	62.9
303.28278	0.7
339.07623	0.8
413.14481	1.2
433.90897	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	412.2178
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03435	21.7
59.04984	4.3
61.20953	2.9
69.03427	70.3
70.06606	3.2
71.05161	3.0
71.05485	3.8
72.08125	5.5
73.02906	3.5
81.03370	4.4
83.08620	5.2
85.02908	100.0
87.04473	36.1
89.03944	4.8
91.05487	3.2
97.02887	56.2
97.06479	3.1
98.97562	4.7
99.04424	2.6
109.02854	7.7
115.03936	63.8
117.03367	8.2
127.03954	17.0
133.04964	72.2
145.02837	12.0
145.04973	35.6
150.07607	6.2
163.06018	18.2
177.05409	21.2
263.14896	4.0
273.19247	2.8
295.10034	3.9
297.13879	2.8
327.07413	4.7
412.15421	5.5
412.20276	80.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.362
Annotation	4,4-Dimethyl-5alpha-cholesta-8,14,24-trien-3beta-ol
Peak:m/z	Relative Intensity
55.05507	15.6
57.07059	9.2
67.05505	26.2
69.07078	17.9
69.07374	3.0
70.07194	10.6
77.54824	3.3
79.05506	15.5
81.07054	44.7
83.08611	10.2
84.88010	3.0
91.05473	15.5
93.07053	37.1
95.08607	100.0
97.10149	5.7
105.07021	32.2
107.08594	53.9
109.10160	51.6
111.08103	4.8
117.07005	7.1
119.08580	54.7
121.10143	43.4
123.11683	14.7
131.08522	7.7
133.10132	36.5
135.11688	43.9
137.13217	3.7
145.10114	12.0
147.11702	30.4
149.13229	23.9
159.11699	16.4
161.13240	32.2
163.14809	16.6
165.12662	3.9
173.13284	10.9
175.14825	52.5
177.16345	21.9
187.14818	17.5
189.16388	35.5
191.17953	27.8
193.15866	3.8
199.14841	4.9
201.16412	14.8
203.17999	36.6
205.19478	6.9
207.17438	30.8
213.16393	5.2
215.17924	17.2
217.19487	13.4
221.18883	4.6
223.92952	3.2
227.17908	4.1
229.19511	10.0
231.21019	7.6
233.18993	3.5
243.21106	8.9
245.22540	4.3
255.21091	5.5
257.22607	11.4
269.22787	6.5
297.25763	5.7
315.26825	9.7
319.20261	3.7
323.27335	6.3
351.30365	9.2
377.87796	3.8
393.35141	32.7
398.17514	3.7
411.04556	5.5
411.31473	5.5
411.36255	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	411.3622
Annotation	4,4-Dimethyl-5alpha-cholesta-8,14,24-trien-3beta-ol
Peak:m/z	Relative Intensity
51.02383	0.7
53.03944	2.6
53.29126	0.8
55.05511	9.9
57.07082	4.5
59.05013	1.1
65.03944	1.6
67.05510	22.0
69.07072	17.5
69.36104	3.9
69.36526	1.5
71.08629	2.4
79.05497	19.1
81.07059	49.0
83.08623	9.6
85.10165	1.4
91.05489	13.6
93.07047	45.0
95.04945	1.1
95.08611	100.0
97.06508	1.2
97.10172	5.0
98.98465	2.7
99.08114	1.0
105.07034	27.0
107.08600	71.8
109.06526	1.2
109.10162	42.8
111.08089	2.2
111.11745	1.7
113.09647	0.9
117.07005	1.7
117.86138	0.8
119.08590	36.3
121.10146	51.9
123.08087	1.8
123.11713	15.7
125.09647	1.0
129.06995	0.8
131.08598	4.1
133.10133	25.8
135.11700	31.1
137.09607	2.0
137.13258	5.9
139.06317	0.7
145.10114	8.6
147.11697	19.4
149.13263	32.8
151.11212	1.4
151.14804	1.8
155.01065	5.0
158.10945	1.0
159.11699	9.4
160.12523	1.1
161.13254	21.7
163.14830	60.6
165.12798	1.8
165.16393	1.4
171.11696	0.7
173.13271	5.6
175.14839	20.6
175.16287	1.4
177.12778	3.1
177.16391	24.5
179.14297	5.4
181.15947	1.2
185.13278	1.7
187.14821	12.2
189.16386	31.4
191.17937	18.3
191.19603	1.3
193.15807	1.2
199.14856	2.0
201.16374	8.5
203.17963	33.9
205.15919	2.4
205.19550	5.2
207.17474	6.5
213.16338	1.5
215.17978	5.2
217.19487	5.7
219.17593	2.0
221.19014	2.3
227.17969	2.0
228.83989	0.9
229.19513	3.8
231.21072	16.0
233.19028	4.8
233.22681	2.1
241.19597	1.2
243.21140	2.1
245.22791	1.1
247.20592	1.1
247.24275	1.2
255.21103	1.0
257.22601	1.0
261.22235	0.9
269.22675	0.9
269.25381	0.8
271.24139	1.0
289.64328	0.8
297.25797	12.0
299.27457	1.0
313.27393	1.5
315.26871	6.8
318.24136	0.7
331.06195	0.7
341.28406	3.1
393.35141	12.8
411.36237	73.3
412.36655	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.3064
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	5.3
57.06802	4.5
57.07079	82.0
59.05013	20.6
67.05482	4.9
69.07053	8.8
70.04030	3.1
70.14901	11.6
70.15242	3.9
71.08636	93.4
72.05782	3.1
79.05497	5.2
81.07066	10.7
83.08595	5.7
85.10189	100.0
87.04459	11.2
89.06019	9.2
90.01920	21.3
93.07030	9.0
95.08591	16.1
96.03722	3.2
96.94608	3.7
99.11722	7.6
101.09724	3.7
105.07032	6.7
107.08594	7.4
109.10139	9.9
117.09094	3.5
119.08565	8.4
121.10132	7.4
123.11679	6.4
133.10133	6.4
135.11679	5.3
141.16368	6.0
147.11707	3.8
159.11726	4.1
161.13280	3.6
163.14816	5.4
173.13071	3.8
175.14818	7.3
177.16350	3.5
189.16431	4.5
191.18024	4.2
196.08214	3.5
199.20546	12.7
203.17992	11.8
207.17485	3.5
256.67746	3.7
393.35120	5.8
411.36041	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	411.2894
Annotation	Chabrolobenzoquinone G
Peak:m/z	Relative Intensity
51.24413	2.5
53.03930	3.9
55.05503	9.7
65.03927	3.4
66.36394	2.5
67.05511	23.3
69.07066	9.7
69.38410	2.4
79.05506	28.7
80.47653	2.9
81.03422	4.3
81.07063	50.3
83.04973	3.0
83.08615	8.2
85.06564	3.0
87.12846	2.6
91.05487	29.4
93.07050	41.3
95.04987	2.9
95.08618	30.9
96.91057	2.5
97.02959	3.2
97.10188	3.7
98.21557	5.0
99.08105	21.2
105.07034	55.0
107.08599	68.6
109.02828	3.0
109.06582	3.4
109.10190	17.1
112.47303	2.4
117.07030	12.9
119.08588	64.6
121.10152	18.2
128.06212	2.6
129.06989	6.7
131.08575	50.9
133.10141	48.6
133.54770	2.6
135.11690	19.5
142.07800	3.5
143.08559	11.2
144.09360	5.8
145.10127	39.7
147.11697	43.0
149.09694	3.3
149.13272	27.3
155.08540	8.6
157.10112	20.2
159.11713	88.6
161.13266	100.0
163.11266	3.2
163.14821	5.5
169.10158	13.0
171.11745	14.3
173.13278	37.8
175.14822	15.5
179.14403	4.8
181.10184	4.3
183.11694	12.4
184.12531	3.2
185.13217	16.6
187.14822	23.8
189.16522	5.9
191.14238	3.6
195.11676	4.4
197.13313	12.1
199.14833	19.7
201.16385	37.3
203.14333	3.7
205.15923	4.1
209.13264	5.5
211.14845	8.8
213.16414	6.2
215.17851	3.9
217.15944	6.1
221.13341	2.9
223.14917	4.7
225.16446	10.7
229.15930	4.8
231.17386	5.8
235.14835	4.0
237.16403	3.9
239.17973	7.0
241.19588	3.0
245.15369	4.0
251.17987	5.9
253.19493	3.7
263.16229	4.5
265.19647	4.8
277.19687	7.1
293.22696	25.9
323.23642	4.8
333.19211	4.3
333.31311	2.8
347.27338	18.2
351.20190	12.2
365.28424	77.4
393.27774	30.5
411.10120	4.2
411.28952	97.8
411.34140	5.7
412.29358	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	411.1992
Annotation	Flumethasone
Peak:m/z	Relative Intensity
56.96571	0.8
61.02907	0.4
69.03426	0.9
71.52464	0.4
72.08145	0.6
77.80468	0.3
80.64446	0.4
81.03387	0.5
84.66392	0.4
85.02905	0.9
86.09688	0.8
89.77784	0.3
91.05470	0.5
93.07058	0.8
95.04980	0.6
97.02906	0.7
102.06404	0.4
105.07005	0.4
107.04952	0.4
107.08598	0.5
118.26531	0.3
121.06507	0.6
123.04460	1.8
125.00008	0.3
125.06005	0.5
127.11201	0.5
131.08527	0.6
135.04295	0.4
139.03882	0.7
145.06483	0.6
147.04353	0.6
161.06000	0.5
163.03938	1.3
173.09467	0.6
184.07333	1.8
189.09129	0.4
203.05283	3.4
231.13571	2.0
233.11760	1.4
249.11281	1.9
249.14528	0.9
259.05853	0.5
259.43292	0.4
285.03903	0.4
314.04498	0.5
314.54297	0.5
353.15738	8.5
360.37476	0.4
393.18927	0.9
395.43439	0.5
411.12241	2.8
411.19894	100.0
412.20282	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	411.2893
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	6.9
56.96561	1.3
59.32468	1.1
59.73230	0.9
63.56638	0.9
67.05499	6.0
69.07063	4.3
69.51147	8.3
79.05489	8.8
81.07057	19.1
83.04961	1.2
83.08628	8.4
90.47729	0.9
91.05488	9.0
93.07046	15.5
95.08621	15.3
103.03833	1.2
105.07033	38.7
107.08598	17.1
107.82594	1.2
109.10166	5.0
117.07007	3.5
119.08584	26.1
121.10139	9.0
121.81364	1.2
123.08016	1.8
123.11707	2.1
129.06964	1.5
131.08577	15.2
133.10139	21.9
135.08136	1.8
135.11699	6.6
143.08624	3.3
145.10136	11.2
145.89523	1.2
147.11699	15.3
149.05948	1.2
149.13269	15.2
153.09164	2.1
155.08458	1.1
156.09357	1.2
157.10138	4.1
159.11713	17.7
161.13260	100.0
162.13635	1.1
163.07588	1.9
163.11247	5.4
163.14856	4.3
165.12790	2.9
169.10168	1.7
171.11755	5.2
173.13272	8.4
175.14856	11.2
177.12793	1.8
179.10672	2.5
183.11618	1.4
185.13280	4.2
187.14900	5.1
189.16415	2.3
191.14294	2.1
199.14824	5.0
201.16393	39.3
203.14113	1.1
203.17966	4.2
209.13319	1.9
211.14857	1.5
213.16371	2.4
215.18016	1.5
217.15913	2.4
219.17407	2.4
223.14954	1.1
225.16403	1.9
227.17992	1.9
229.15768	1.5
239.18068	2.7
245.15482	4.0
247.16928	9.1
249.14861	2.9
251.18080	2.1
257.19061	1.4
261.14935	4.5
263.16501	1.6
267.21155	1.1
275.16626	1.5
297.18768	1.2
329.21085	1.4
347.27396	6.4
365.28375	9.6
367.29984	1.5
393.27832	16.7
411.28943	48.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.199
Annotation	Flumethasone
Peak:m/z	Relative Intensity
60.47595	0.4
64.41522	0.4
65.73077	0.3
65.82637	0.4
67.05508	0.5
69.03414	0.5
69.07057	0.4
69.87947	1.0
69.88361	1.1
70.06564	0.4
71.04983	0.5
79.05471	0.6
81.03423	0.7
81.07042	1.0
86.09724	0.5
91.05487	0.5
93.07048	0.4
95.04945	0.4
98.21439	0.5
105.07027	0.6
106.61295	0.4
107.04928	0.4
107.08580	0.4
109.02885	0.5
111.04453	0.4
117.06958	0.5
123.04353	0.4
127.03907	0.4
135.04454	0.6
136.06184	1.5
145.10179	0.5
147.09186	0.4
162.04150	3.3
163.03931	2.8
184.07332	0.5
242.92819	0.4
249.14714	1.9
266.16156	0.6
292.13989	2.2
322.09256	0.4
323.14548	0.5
393.18582	0.7
411.19885	100.0
412.20215	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.1987
Annotation	Flumethasone
Peak:m/z	Relative Intensity
53.57988	0.2
63.05662	0.3
67.05479	0.4
69.03442	0.6
70.06609	0.4
70.59605	0.3
71.51952	0.4
72.08159	0.4
75.79551	0.3
81.07050	0.3
84.08164	0.3
85.02906	0.6
86.23315	0.3
91.05479	1.0
92.59711	0.3
95.04962	0.3
98.97591	0.7
105.01897	0.3
107.08592	0.5
120.01392	0.3
123.04362	0.6
131.08691	0.3
135.04416	0.6
147.04390	0.4
158.99591	0.4
163.03889	1.4
203.05249	3.8
207.06647	0.4
231.13628	1.4
233.10199	0.7
237.00633	0.5
241.05101	0.3
259.06000	1.0
291.14331	0.5
325.13776	0.4
353.15720	9.1
411.19907	100.0
412.20285	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	410.3479
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	3.3
57.07079	85.5
59.05000	17.0
61.89074	1.2
62.60389	1.7
67.05508	5.2
69.07063	5.1
71.08636	100.0
79.05495	2.0
81.07049	3.6
83.08627	3.0
85.10188	92.8
89.06042	46.4
91.05480	3.4
93.07054	4.7
94.07391	1.8
95.08601	6.2
96.08958	2.3
99.11738	6.4
103.07581	3.1
105.07022	4.2
107.07059	2.1
107.08627	6.7
108.08936	3.1
109.10177	4.0
110.10470	1.8
111.11707	1.6
119.08587	4.6
121.10144	3.1
130.08675	1.5
133.08591	18.7
133.10106	2.5
135.11719	2.9
141.16377	13.2
145.10091	2.1
147.11684	2.8
149.13278	1.6
157.10013	1.8
161.13287	1.8
163.14818	2.1
177.11230	28.9
177.16383	1.9
178.16692	1.4
187.14729	2.3
195.12296	26.8
199.20566	16.2
221.15457	1.8
221.92760	1.3
235.15388	6.3
239.14944	5.9
241.80455	1.7
243.23161	3.3
253.16487	1.9
257.04526	2.1
258.04825	2.7
279.21243	1.5
323.15341	2.5
336.31097	1.5
338.75577	1.6
341.16342	5.4
364.17871	2.0
392.34052	2.5
393.32062	19.0
410.09647	3.2
410.26898	1.6
410.35059	9.7
426.13937	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	410.2023
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	7.2
55.01872	9.6
55.05497	1.8
56.96573	1.5
57.03445	5.6
57.07072	2.1
59.05013	1.0
60.04517	1.0
61.02926	7.3
65.97166	1.1
67.05498	2.4
67.67873	0.9
68.99787	3.2
69.03432	29.9
70.06599	1.8
71.01364	1.0
71.05001	5.3
71.25663	1.2
72.04481	1.2
73.02924	11.1
79.05482	1.3
79.42309	1.0
81.03421	31.8
83.01339	1.4
83.04963	1.1
83.08613	1.3
84.04509	1.7
85.02909	100.0
87.00833	38.4
87.04462	1.4
91.03966	4.8
91.05480	1.3
95.08613	1.3
97.02896	50.8
98.06044	2.6
99.03852	1.4
99.04468	19.4
100.11269	2.6
105.01871	52.4
108.04479	13.1
109.02885	38.2
109.10153	3.6
115.03924	1.7
117.01848	4.4
126.05473	6.3
127.03924	92.3
127.11176	1.9
128.43782	1.0
129.01854	5.3
145.04967	52.0
147.02917	5.1
159.02908	26.4
159.04135	1.0
164.44366	1.0
168.39680	1.1
172.09654	1.1
177.03943	1.3
182.07991	1.0
189.03871	1.4
196.13403	1.2
213.03996	4.9
230.06609	3.6
231.05028	20.1
248.07663	9.9
249.06085	3.9
257.04553	3.6
258.04892	6.2
266.08844	2.4
276.75992	1.1
410.09061	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	409.383
Annotation	4,4'-Diapophytoene
Peak:m/z	Relative Intensity
53.03944	4.0
55.05511	16.6
57.07072	9.2
67.05508	29.2
69.07067	32.6
70.02819	13.5
72.08160	23.9
78.69116	3.5
79.05491	13.4
81.06586	5.9
81.07058	78.7
83.08625	14.6
89.06027	6.2
90.06397	3.4
91.05480	6.9
93.07047	39.5
95.08610	100.0
97.10149	7.4
103.52572	2.9
105.07030	18.7
107.08588	47.2
109.10164	75.5
109.99159	2.7
111.11732	4.0
119.08605	15.4
121.10132	42.1
123.11708	40.6
131.08556	4.3
133.10103	14.6
135.11699	35.7
137.13239	28.5
145.10051	6.8
147.11653	18.1
149.13258	48.5
159.11810	3.9
161.13300	14.4
163.14841	34.4
173.13318	4.8
175.14864	8.6
177.16388	9.1
179.17952	4.2
187.14751	5.0
189.16373	19.7
191.17979	40.4
195.12265	5.3
203.17996	14.4
205.19493	11.4
215.18053	4.7
217.19568	17.9
217.21324	3.1
219.21082	39.3
229.19508	4.6
231.21210	6.0
245.22597	3.7
257.04465	11.0
257.22522	4.7
285.25781	4.8
344.80212	3.0
409.09433	5.2
409.38330	85.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.3465
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.9
55.01876	1.0
55.05510	9.4
57.07067	2.4
65.03941	1.9
67.05505	24.3
69.07071	14.4
69.99403	0.9
71.16795	1.8
79.05492	23.4
81.07059	50.2
83.04977	0.9
83.08614	6.9
83.89685	1.2
91.05476	16.3
93.07047	41.0
93.07640	2.1
95.04970	2.4
95.08608	100.0
96.08969	1.0
97.06539	1.7
97.10168	4.1
99.08110	1.2
105.06309	1.6
105.07031	55.9
107.08595	64.6
109.06503	2.6
109.10160	40.3
109.10694	0.6
109.10934	1.3
110.59204	1.0
111.08087	16.6
111.11714	1.9
115.06912	1.0
117.07023	4.9
119.06129	1.2
119.08585	46.4
121.10146	35.6
123.08053	1.4
123.11710	11.0
125.09639	3.0
128.06197	1.5
129.06995	3.1
130.07806	1.3
131.06924	1.0
131.08577	14.9
133.10135	26.8
135.11688	23.3
137.09624	1.4
137.13242	4.9
139.11176	3.1
142.07677	1.1
143.08569	11.1
145.10124	29.3
147.08069	0.9
147.11693	39.5
149.13255	30.7
151.11172	1.2
155.08430	1.2
157.10112	9.5
159.11700	19.6
161.13268	19.3
163.11157	1.2
163.14830	20.5
165.12767	2.2
165.16310	1.1
169.10112	1.2
171.11691	6.3
173.11835	1.1
173.13249	13.0
175.14838	21.2
177.12833	1.6
177.16402	17.7
179.14432	1.1
183.11688	2.2
185.13307	5.4
187.14833	38.4
189.16394	17.2
191.14305	1.5
191.17934	8.7
193.15863	1.5
197.13284	2.3
199.14850	9.4
201.16382	17.0
203.14401	1.1
203.17964	23.2
204.18253	1.0
205.15865	9.6
205.19507	3.7
207.17432	1.9
211.14792	2.1
213.16393	14.7
215.17976	9.6
217.15950	3.2
217.19499	7.3
219.17410	3.5
221.15469	1.3
225.16316	2.5
227.17973	5.8
229.04968	2.5
229.19537	5.7
231.17430	4.0
231.21094	2.6
233.18996	1.2
235.20624	1.8
239.17891	2.8
241.19496	9.0
243.21103	5.7
243.36678	0.9
245.04478	1.6
245.18942	1.6
245.96075	1.1
247.20537	1.2
251.18025	1.1
253.19510	3.3
255.21082	13.4
257.04431	14.9
257.22595	2.7
258.05005	1.4
259.20596	1.8
267.21115	3.6
269.22635	6.3
281.22690	2.2
285.22296	1.4
285.25885	1.1
287.05432	1.7
295.24231	4.8
307.24081	1.3
313.25311	7.4
321.25937	1.3
339.26694	1.5
351.30383	7.1
391.33597	9.4
409.09253	7.0
409.26028	3.9
409.34659	72.2
410.09537	0.9
410.34961	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2737
Annotation	10'-Apoviolaxanthal
Peak:m/z	Relative Intensity
53.03943	4.6
55.01868	1.9
55.05512	18.0
57.03429	1.5
57.07062	4.9
59.05000	2.4
62.79354	1.2
65.03930	2.0
67.05508	26.2
69.03439	8.3
69.07071	11.6
69.53984	1.3
71.04997	1.4
77.03950	2.1
79.05492	27.8
81.03422	3.4
81.07059	40.7
83.04977	6.2
83.08621	4.0
85.06531	3.7
91.04902	2.3
91.05479	40.6
93.07047	56.7
93.07645	3.0
95.04966	53.6
95.08610	38.4
97.06522	13.3
98.21583	2.3
103.05482	3.4
103.59768	1.3
105.07032	100.0
106.46533	1.4
107.04939	3.3
107.08592	33.4
109.06509	15.1
109.10152	19.9
111.08072	3.0
115.05479	4.1
116.06216	1.5
117.07014	15.9
119.04922	3.8
119.08588	65.5
120.09400	1.8
121.06506	20.6
121.10152	21.3
123.08070	23.1
123.11726	3.2
125.05929	1.4
125.09649	1.9
127.11239	1.2
128.06233	5.8
128.64392	1.2
129.06998	9.6
130.07808	5.2
131.08571	25.5
133.06496	5.1
133.07468	1.4
133.10141	25.0
135.08067	13.7
135.11656	7.6
137.05975	3.2
137.09612	8.7
141.07013	5.0
142.07765	15.3
143.08545	22.2
144.09351	6.2
145.06516	3.7
145.10126	50.2
146.10997	1.5
147.08026	15.9
147.11687	37.5
149.09633	9.9
149.13278	5.6
151.07533	25.7
151.11093	1.7
153.06956	2.8
153.09076	2.6
154.07784	2.2
155.08560	9.4
156.09358	5.7
157.10127	29.8
158.10931	2.4
159.08083	4.9
159.11699	19.2
161.09608	10.9
161.13277	7.1
163.11237	5.5
163.14824	4.8
165.07066	2.4
165.09120	32.8
167.08548	3.0
168.09412	6.1
169.10136	15.8
170.10950	5.8
171.11699	14.0
173.09610	7.7
173.13319	9.0
175.11197	26.0
175.14882	2.3
177.09167	3.5
178.09824	2.2
179.08589	3.8
181.10136	6.6
181.12271	5.2
182.10875	3.6
183.11693	15.1
185.09602	2.0
185.13202	6.8
187.11246	4.5
187.14853	8.2
189.12758	7.0
189.16469	1.9
191.14394	4.3
193.10139	2.3
194.10928	2.5
195.11700	5.0
196.12479	4.6
197.13263	3.8
199.11264	4.8
199.14906	3.7
201.12685	12.2
201.16339	2.9
203.10767	1.5
203.14323	13.6
203.17795	2.5
206.10930	2.3
207.11694	4.3
207.13843	9.7
209.13283	5.8
209.15410	5.8
211.14865	9.4
213.12669	1.8
213.16370	1.6
215.14432	2.0
217.15892	2.0
219.13794	3.0
221.13376	3.6
221.15355	79.5
223.14772	3.9
225.16280	2.4
227.14308	2.1
229.05020	2.6
229.12617	1.8
229.15891	5.8
229.19562	2.3
231.13802	2.6
233.15421	4.0
234.16139	15.0
239.14304	2.2
239.17856	1.5
243.21336	1.8
251.18018	2.0
253.15921	3.6
257.04465	18.1
269.19016	2.6
281.19116	1.4
286.19299	5.5
286.64700	1.5
287.05557	2.1
287.20084	10.2
299.20380	3.1
300.20859	4.4
313.21616	1.9
317.20917	1.7
325.21600	1.6
329.21185	4.7
335.20383	2.0
345.25577	1.8
353.21085	2.1
373.25269	2.1
391.26190	8.8
391.33612	1.6
409.09213	9.1
409.27390	75.8
409.34537	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	409.2738
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	5.4
55.01880	2.7
55.05508	23.4
57.03420	2.9
57.07063	7.2
59.04984	7.1
61.46611	2.5
65.03930	4.1
67.04279	2.3
67.05508	31.5
69.03416	8.9
69.07079	11.4
70.17770	4.6
70.18170	4.8
77.03955	2.7
79.05489	21.6
81.03415	4.4
81.06606	2.7
81.07064	44.7
83.04977	6.5
85.06524	2.8
91.04971	4.0
91.05485	42.1
93.07046	57.9
95.04967	45.7
95.08053	3.8
95.08604	30.5
97.06548	5.2
97.10135	2.8
98.20888	3.2
103.05471	5.5
105.04529	3.0
105.07037	100.0
107.04902	2.7
107.08597	33.8
109.06519	12.0
109.10172	22.2
117.07031	12.2
118.06645	2.4
119.04918	3.1
119.08589	73.1
121.06519	14.3
121.10150	17.7
123.08083	16.5
123.11674	3.1
125.09660	3.2
128.06252	3.3
129.05481	3.0
129.06996	9.0
130.07774	5.0
131.08548	23.1
132.09372	2.9
133.10110	21.8
135.08043	10.2
135.11679	9.7
137.09586	9.0
141.06956	4.8
142.07802	14.8
143.08563	13.4
144.09355	4.8
145.06421	2.7
145.10132	35.0
147.08072	15.0
147.11691	43.6
149.09642	13.1
149.13280	3.1
151.07533	18.9
155.08571	5.8
156.09373	3.8
157.10143	19.9
159.08078	6.8
159.11757	15.1
161.09615	8.2
161.13254	5.2
163.11137	5.9
163.14806	4.2
165.09100	29.4
168.09431	2.9
169.10115	10.7
171.11678	9.1
173.09636	4.0
173.11832	2.9
173.13242	6.9
175.11186	30.2
175.14783	3.5
177.09129	3.0
181.10098	2.7
183.11740	11.4
184.07487	3.0
185.13231	5.2
187.11191	6.2
187.14807	3.4
189.12679	5.2
191.14264	2.7
197.13210	3.4
199.14722	2.9
201.12723	7.2
201.16370	5.6
203.03368	2.9
203.14296	10.5
207.13826	8.6
209.13274	4.7
209.15294	4.3
211.11183	3.0
211.14838	4.6
213.12744	4.0
219.13773	3.9
221.13458	4.1
221.15376	64.5
229.05029	6.5
229.15823	4.8
233.15372	3.3
234.16170	19.8
235.14781	3.3
239.14409	3.9
245.04465	7.2
257.04474	42.2
258.05023	3.9
286.19412	2.9
287.05344	2.9
287.20013	6.0
300.20798	5.0
329.21136	7.7
391.26187	7.3
409.09317	28.5
409.27197	49.1
409.34601	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	409.2738
Annotation	Unknow
Peak:m/z	Relative Intensity
50.85551	1.7
53.03936	5.8
55.01859	3.2
55.05516	21.6
57.07058	5.9
59.04988	4.8
67.05502	20.1
69.03419	3.1
69.07085	10.5
79.05080	2.1
79.05496	25.3
81.03400	1.7
81.05962	1.8
81.06594	2.6
81.07058	38.4
83.04983	5.3
83.08598	3.4
85.06530	3.7
85.10176	2.9
91.05484	35.9
91.06973	1.6
93.07049	45.4
94.07430	1.8
95.04375	2.7
95.04974	48.1
95.07990	1.9
95.08609	32.9
97.06525	7.8
103.05466	4.6
105.04567	1.6
105.07035	100.0
107.04903	1.8
107.08594	32.4
109.06534	13.9
109.10138	13.6
111.08056	5.3
111.63741	1.4
115.05447	4.4
116.06221	2.7
117.07027	12.7
119.04992	2.3
119.08585	68.5
120.09374	1.8
121.06510	16.8
121.10165	20.1
123.08059	18.1
123.11681	4.9
128.06184	4.1
129.06979	7.9
130.07813	2.8
131.04968	1.6
131.08582	27.1
132.09314	2.5
133.06483	6.5
133.10132	20.7
135.08075	13.3
135.11664	6.8
137.09593	7.6
141.06970	4.0
142.07782	9.9
143.08554	17.8
144.09326	1.8
145.10132	38.1
146.07257	1.7
147.08040	16.7
147.10515	2.8
147.11687	47.9
147.14157	2.4
149.09602	11.2
149.13216	5.5
151.07553	15.9
155.08539	8.2
156.09341	5.4
157.10124	24.0
158.10834	1.8
159.08072	6.3
159.11681	15.1
161.09592	7.4
161.13252	4.4
163.11176	4.3
163.14832	5.4
165.06989	1.7
165.09122	32.2
167.08569	4.3
168.09325	4.7
169.10130	10.1
170.10878	4.2
171.11699	11.4
172.08707	1.9
173.09625	6.3
173.13257	9.0
174.10416	1.6
175.09770	2.9
175.11189	34.0
175.14833	6.2
177.09132	3.1
177.16360	2.5
178.07739	1.8
179.63336	1.6
180.09497	1.8
181.10109	7.1
182.10774	3.0
183.11650	10.1
185.13229	5.6
187.11217	5.1
187.14809	9.0
189.12723	5.8
189.16394	3.2
193.10167	2.8
195.11775	3.3
197.13309	4.4
199.11205	3.3
199.14731	2.9
201.12732	9.1
201.16318	4.4
203.14340	12.0
203.17914	2.9
207.11853	2.3
207.13805	8.8
209.13309	3.8
209.15253	3.7
211.14786	5.1
213.12729	4.1
215.14328	3.4
215.17960	3.9
217.15791	2.1
219.13785	4.5
221.15379	68.0
225.12697	2.9
225.16440	2.2
229.04976	2.8
229.16014	2.3
231.13847	2.8
233.15399	3.6
234.16176	16.8
241.19398	2.5
245.04430	2.6
251.17836	2.0
253.15903	2.4
257.04486	22.0
258.04987	2.0
287.05490	2.8
287.20126	7.7
300.20929	3.6
329.20969	4.0
391.26495	8.3
391.33536	2.4
409.09180	10.7
409.27255	56.6
409.34488	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	409.2565
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	3.7
56.96564	1.3
57.03428	1.0
57.07066	0.9
61.62164	0.5
67.05512	8.4
69.07069	4.7
71.04983	0.5
71.52464	0.8
74.60949	0.5
78.33355	0.5
78.76557	0.5
79.05486	4.6
81.03426	1.2
81.07060	12.3
82.07365	0.7
83.04972	0.7
83.08607	1.8
85.06561	0.7
86.09704	1.4
90.17102	0.5
91.05461	4.5
93.07058	8.0
94.54036	0.5
95.04963	1.0
95.08614	18.4
97.02895	0.6
97.06559	0.8
97.10171	0.7
98.97581	0.6
99.08124	0.8
105.07037	6.3
106.07345	1.3
107.08599	9.4
108.08945	0.7
109.06564	1.0
109.10164	7.9
111.08092	2.4
111.11710	0.7
117.06985	1.3
119.08579	10.5
121.10152	7.3
123.04412	0.7
123.11723	2.0
125.09585	0.6
129.07021	1.1
131.08577	3.5
133.10135	4.7
135.11673	6.7
137.13269	2.3
139.03926	1.2
139.11215	3.5
143.08546	3.8
145.10135	5.8
147.11691	3.3
149.13252	3.7
157.10176	2.2
158.10858	0.6
159.11716	3.7
161.13293	2.7
163.14862	2.7
165.12730	0.8
169.10126	0.9
171.11717	3.7
173.11845	0.9
173.13269	4.7
175.14845	4.3
177.16411	3.5
183.11736	1.1
184.07275	0.6
185.13264	2.2
187.14885	3.4
188.15163	0.9
189.16458	2.2
195.17490	6.5
197.13339	1.5
199.14801	3.1
201.05609	0.6
201.16481	3.2
203.17973	2.1
211.14854	0.9
213.16396	7.2
213.18327	0.7
214.17130	2.2
215.18045	3.2
225.16422	0.8
227.17967	1.7
228.18483	0.6
229.05023	1.7
229.19411	0.9
233.05339	0.6
239.17845	0.8
241.19516	3.1
243.21097	1.0
245.04482	1.1
251.11391	1.0
255.21060	2.9
257.04459	12.8
257.07095	0.9
267.21094	1.7
269.22397	0.5
287.05524	1.2
295.15305	0.7
323.10330	0.6
331.15918	1.3
349.17044	2.9
391.33591	1.6
409.09369	7.6
409.25662	100.0
409.34073	21.1
410.26007	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.1835
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22149	0.3
56.18970	0.3
69.07053	0.3
69.22312	0.3
79.62247	0.3
91.05468	0.3
98.97551	0.3
104.17911	0.2
107.01045	0.6
109.10198	0.3
123.04415	0.9
123.61597	0.3
147.04355	0.5
152.17426	0.2
186.13304	0.3
203.03392	0.4
203.05226	0.4
218.55209	0.2
229.04945	2.7
230.05530	0.4
245.04434	0.8
247.13017	2.9
257.04440	10.9
258.05161	1.0
271.06079	0.7
287.05457	1.8
346.12119	0.3
391.08151	0.3
409.09229	8.6
409.18301	100.0
410.18781	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2563
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.5
54.87522	0.4
55.05509	1.2
56.96563	1.0
57.03440	0.6
67.05506	4.0
69.03418	0.5
69.07082	0.9
71.04990	0.5
71.16814	1.0
79.05509	2.0
81.03406	0.7
81.07066	2.2
85.02928	0.4
86.09698	1.2
88.74847	0.4
91.05476	1.3
93.07052	1.9
95.04992	0.7
95.08603	2.3
97.02930	0.4
97.06557	0.4
105.07046	1.3
107.08592	1.4
109.10171	2.5
109.10813	0.4
113.31698	0.4
117.07056	0.6
119.08614	1.5
119.69260	0.4
121.10175	1.2
123.04412	0.7
131.08498	0.6
133.10144	0.7
135.11728	1.5
139.03883	2.4
143.08551	0.6
145.10132	0.6
147.11617	0.6
157.10182	0.4
159.11697	0.5
171.11671	0.5
173.11859	0.7
173.13292	0.7
187.15019	0.4
189.16400	0.6
201.16393	0.5
203.03394	0.7
213.08075	0.4
213.16426	0.7
223.72240	0.4
229.04945	1.7
229.07018	0.5
245.04457	1.4
257.04468	13.1
257.10477	0.5
258.05090	1.0
287.05502	1.1
295.15152	0.7
309.16714	0.8
331.15601	0.5
349.16870	1.2
365.34128	0.4
367.18759	0.5
409.09366	7.1
409.25641	100.0
410.25818	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	409.1835
Annotation	Unknow
Peak:m/z	Relative Intensity
50.85318	0.5
55.05492	0.8
56.96544	0.7
59.80243	0.5
67.05477	0.7
69.03415	1.5
69.07068	0.6
70.06518	2.5
71.04977	0.6
72.08148	0.8
76.63621	0.5
80.23874	0.5
81.03412	0.9
81.07036	0.8
84.08144	1.0
85.02911	1.6
86.09705	1.1
91.05475	1.1
93.07058	0.8
94.06576	1.5
95.04958	0.9
95.08585	1.3
97.02839	0.6
97.06525	1.2
98.97564	1.5
105.07075	0.8
107.08566	1.2
109.02871	0.5
109.10139	1.0
116.98673	0.7
119.04930	1.3
120.08105	0.7
121.02885	1.0
122.06036	3.1
123.04424	1.7
125.09579	1.1
126.28499	0.6
127.03905	0.7
131.08545	0.7
135.04451	0.6
135.11752	0.6
136.03952	0.7
139.03922	1.3
140.07066	2.5
140.65366	0.5
145.02759	0.6
147.04440	2.7
154.04993	8.4
154.08641	0.7
159.49530	0.5
163.03900	1.8
177.05508	0.7
178.05008	4.0
181.04980	0.6
188.14993	0.5
203.05280	0.9
203.07114	1.7
206.02650	0.8
206.04495	5.7
229.17920	1.1
238.07114	2.4
245.04420	1.0
247.09694	6.0
256.06134	1.1
257.04251	5.2
257.06546	1.4
287.05615	0.8
299.05588	1.2
345.10980	1.5
349.10324	0.6
367.08121	0.7
378.03339	0.5
409.10413	7.1
409.18344	100.0
410.18683	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.1131
Annotation	Unknow
Peak:m/z	Relative Intensity
52.93757	2.9
57.03422	8.4
58.05671	2.2
59.03447	2.3
61.12630	2.2
62.64706	2.2
65.03938	2.4
68.99799	6.3
69.03418	5.3
69.61110	13.0
69.61518	5.0
77.71474	2.2
81.03389	7.0
85.02901	31.4
95.04965	5.1
96.15252	2.6
97.02901	7.5
98.97551	3.0
109.02881	7.7
111.04488	3.0
120.02747	2.4
121.02872	100.0
122.20518	2.5
123.04450	7.7
125.02377	2.7
127.03895	5.8
135.04463	4.8
147.04460	3.1
149.02318	4.5
153.01833	87.1
153.42429	2.5
158.82701	2.3
163.03934	15.5
165.01845	39.5
171.02850	3.0
177.01851	35.2
183.02914	9.3
189.01807	9.0
191.03354	25.3
193.01245	2.9
195.02896	83.4
203.03381	5.6
207.02875	3.9
211.16904	4.5
215.03419	5.5
219.02913	33.8
221.41656	2.7
231.02922	36.6
243.02859	8.9
247.06038	88.3
247.10109	3.4
249.03978	9.0
259.06015	19.1
261.04016	16.4
271.06009	30.2
279.04993	6.1
283.06018	2.6
289.07135	20.5
313.07083	45.8
325.03552	2.8
325.07123	35.3
337.07074	10.2
355.08182	15.4
373.09137	9.2
391.10370	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	409.113
Annotation	Fortuneanoside L
Peak:m/z	Relative Intensity
54.91386	2.0
55.01866	2.5
55.21295	2.0
57.03423	5.9
68.99783	6.8
69.68162	6.2
69.68575	5.2
81.03407	3.8
85.02913	22.3
91.05435	2.4
91.29487	2.0
95.04952	3.0
97.02868	3.9
98.20847	4.2
103.03922	3.2
109.02882	7.3
109.70203	2.1
121.02868	71.9
123.04457	4.9
125.02371	2.8
135.04434	3.4
149.02354	7.3
151.03824	3.4
153.01810	8.1
163.03891	13.0
165.01828	41.3
171.02887	4.4
175.03806	3.8
177.01846	36.4
177.05345	2.1
183.02878	16.0
189.01813	14.0
191.03413	28.6
193.01277	4.0
195.02902	100.0
203.03421	6.0
205.04938	4.2
207.02852	4.9
207.08705	2.7
215.03404	4.2
219.02898	37.9
223.12444	2.0
231.02885	52.1
233.04500	4.1
239.99072	2.0
243.02994	10.6
247.06056	5.7
249.03918	14.8
256.20490	2.3
259.06012	23.5
261.03876	20.7
271.05997	35.2
279.04950	7.6
283.06027	3.4
287.05847	2.0
289.07059	23.0
297.06128	3.7
313.07059	51.7
325.07034	42.9
337.06909	11.7
343.08118	3.4
355.08115	18.9
373.09354	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	409.1109
Annotation	Unknow
Peak:m/z	Relative Intensity
58.15944	1.1
66.76965	1.0
70.16085	4.4
76.99147	1.0
77.68226	1.0
85.85789	1.0
91.62514	1.0
262.91196	2.5
409.11115	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	409.1108
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96559	1.9
65.63914	0.9
70.07351	2.5
97.34704	0.7
98.97605	4.5
110.97568	1.6
112.99150	1.1
115.02488	0.9
116.98619	1.1
119.01944	1.5
128.98686	1.0
131.00183	1.2
131.01877	2.0
135.04451	0.9
143.00195	1.0
145.03459	1.8
148.55716	0.8
151.63791	0.8
155.01942	1.0
158.99680	1.9
161.02953	1.1
163.03871	4.5
193.03520	0.9
201.00792	1.0
210.76675	0.8
219.01732	4.5
235.06700	2.8
237.02911	2.7
250.46428	0.7
253.82269	0.8
257.01279	1.1
262.02469	0.9
277.06055	3.1
279.09247	1.3
295.07031	5.6
302.51968	0.8
303.09305	2.7
305.07324	2.7
317.03537	2.7
331.08826	1.2
351.19180	0.9
391.10892	4.3
409.11047	100.0
410.11395	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.1108
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01840	0.5
55.05529	0.5
69.03426	1.0
70.06587	1.0
71.16765	0.5
71.17087	0.7
71.66851	0.4
72.08171	0.6
73.15346	0.4
85.02921	0.7
86.09721	0.5
95.05050	0.4
95.08605	0.8
97.06531	1.2
105.07059	0.7
105.75464	0.5
109.02892	0.5
119.04943	0.5
119.08633	1.0
121.06546	0.5
123.04413	1.0
124.07604	1.8
125.09620	2.1
142.08646	0.9
146.40054	0.5
147.04398	1.1
163.00055	0.6
163.03911	1.4
171.06444	0.5
177.05437	0.7
190.08662	0.7
209.10504	0.7
211.17047	1.0
219.06305	5.4
229.04950	0.6
229.18085	0.7
233.07799	3.7
245.04543	1.3
257.04379	4.2
261.07318	0.9
281.25891	0.4
287.05499	0.7
391.14221	0.6
392.14832	1.3
409.11072	100.0
409.18079	3.9
410.11438	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.0921
Annotation	Prostalidin B
Peak:m/z	Relative Intensity
56.96545	0.5
57.66628	0.3
67.05471	0.3
69.07040	0.5
69.85174	0.6
69.85592	0.7
70.06567	0.7
72.08146	0.5
79.05474	0.4
81.07047	0.8
85.02908	0.4
91.05466	1.1
93.07008	0.4
95.04941	0.3
95.08616	0.4
97.06521	1.0
98.97570	0.6
105.06989	0.5
109.02847	0.4
119.04945	2.1
123.04432	3.5
135.04408	0.3
139.03903	0.6
147.04416	4.3
155.04973	0.6
163.03954	1.8
165.05466	0.6
173.05977	0.4
175.03909	1.2
183.04422	0.7
189.05571	0.3
194.24594	0.2
201.05524	1.7
203.03421	5.4
213.05548	0.5
215.03456	0.5
219.01793	0.3
229.04982	10.7
230.05777	0.5
237.02751	0.4
241.05002	0.9
245.01875	0.3
245.04469	10.5
257.04465	100.0
258.05139	3.2
259.06168	0.5
269.04459	1.0
271.06000	1.1
287.05518	5.2
301.22556	0.3
323.08026	0.6
341.09061	0.3
373.07153	0.3
391.08078	1.2
409.09174	40.6
409.18292	4.0
410.09610	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.0918
Annotation	Prostalidin B
Peak:m/z	Relative Intensity
66.20987	0.2
70.23463	0.6
75.07540	0.2
91.05490	1.0
95.04943	0.2
101.45031	0.2
110.49636	0.2
115.21556	0.2
119.04955	2.2
123.03593	0.2
123.04443	4.7
139.49347	0.2
145.06512	0.3
147.03224	0.3
147.04411	5.7
155.04878	0.6
165.05513	0.4
173.06050	0.3
175.03928	1.4
183.04372	0.8
201.05438	1.1
202.06241	0.4
203.03400	5.4
213.05452	0.7
215.03325	0.2
229.04974	11.7
230.05713	0.6
241.05020	0.5
245.04474	15.1
246.04846	0.3
257.04453	100.0
258.05145	4.5
259.05991	0.7
269.04507	1.0
271.06018	1.5
287.05511	7.2
299.05573	0.3
345.07568	0.2
391.08203	0.8
409.09198	45.6
410.09573	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.092
Annotation	Prostalidin B
Peak:m/z	Relative Intensity
67.05478	0.5
70.57148	0.6
70.57478	0.5
74.76189	0.3
77.20923	0.3
79.05478	0.3
81.07001	0.4
86.09199	0.3
91.05492	0.7
93.07050	0.4
95.08556	0.5
116.42242	0.3
117.07020	0.3
119.04923	1.4
119.08570	0.4
123.03593	0.6
123.04437	10.6
131.04903	0.6
134.03787	0.3
136.67372	0.4
147.04391	2.4
155.04907	2.1
173.06000	0.7
174.06886	0.3
175.03883	0.7
183.04448	1.3
187.03897	0.8
189.05368	0.4
200.04694	0.5
201.05482	3.7
202.06128	1.8
203.03444	1.9
213.05444	2.3
215.03384	0.6
229.04968	30.7
230.05763	3.4
245.04477	6.5
257.04459	100.0
258.05203	9.0
259.05954	1.1
264.99271	0.4
269.04431	0.8
271.06039	4.1
285.03842	0.7
287.05508	18.8
299.05542	0.9
391.08170	1.6
409.09195	85.2
410.09348	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	408.206
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05491	2.6
56.96305	2.6
56.96566	33.2
57.03420	1.7
61.02921	2.4
61.72033	1.3
67.05521	8.6
69.07059	4.0
71.04976	1.8
71.95284	2.1
72.08162	1.7
72.96019	2.0
79.05499	3.0
81.03436	1.8
81.07040	6.7
85.02908	2.6
88.99141	1.5
91.03954	1.6
91.05473	5.0
93.07046	4.4
95.04939	1.9
95.08566	2.6
96.04501	2.2
97.02875	4.0
97.06537	3.3
98.97559	2.9
105.07008	3.5
107.08603	4.4
109.10161	4.0
110.97563	1.4
114.32818	1.3
115.00694	3.6
119.08559	3.1
128.98619	2.1
131.08539	1.5
133.01704	1.5
135.11755	1.7
137.05957	4.8
139.71538	1.4
145.10098	1.9
153.02264	2.1
157.01598	1.7
157.10133	2.2
171.03307	5.7
173.04828	2.0
177.05913	1.6
181.05388	2.6
185.04938	3.0
187.02806	2.0
189.04314	4.6
190.10042	1.5
197.04892	2.6
199.06425	13.8
201.07889	2.3
203.05984	2.5
209.04903	2.3
211.06470	3.2
212.46800	1.4
213.07959	7.7
217.07492	14.8
223.06503	9.8
227.05939	2.6
229.05330	2.7
229.07495	10.9
231.09053	7.0
235.06544	3.5
237.08026	1.9
241.07452	27.1
243.09001	2.5
245.06937	1.9
247.08545	5.3
251.09602	1.6
253.07585	9.1
255.09070	4.5
257.04471	10.2
259.08569	40.9
264.09189	1.7
267.09106	3.2
269.10654	3.0
271.08588	4.8
273.09918	2.6
277.09729	4.8
281.10638	3.8
282.10172	3.8
285.10007	1.9
322.11633	7.4
322.62201	1.8
327.14697	1.9
331.15884	14.5
339.18369	1.7
349.16876	63.3
360.25037	1.7
367.17935	100.0
368.18256	2.6
372.18402	4.6
385.18991	64.3
386.19513	1.8
390.19727	11.4
408.20404	9.7
408.24564	9.9
409.09201	5.1
409.26108	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	408.1656
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	0.4
53.04552	0.2
55.05504	0.4
57.03423	0.5
59.46093	0.2
61.02932	0.4
65.03940	0.7
67.05502	0.9
69.03434	1.2
69.07014	0.2
70.01035	0.7
70.01382	0.3
70.06583	0.6
71.04986	0.3
72.08103	0.2
73.02897	0.3
78.03449	1.5
79.05483	0.4
81.03426	2.3
81.03872	0.3
81.07064	0.7
83.04965	0.3
84.04518	0.3
85.02905	3.7
87.04459	0.2
90.45953	0.2
91.05479	0.9
93.07051	0.5
94.04189	0.4
95.04979	0.7
95.08610	1.5
96.04492	100.0
97.02889	1.6
97.04848	0.4
97.06547	0.2
105.07053	0.6
107.08575	0.2
109.02881	16.0
110.03721	0.4
111.04444	0.7
119.08627	0.2
121.06518	0.2
123.04433	5.5
123.08052	1.0
127.03906	0.8
133.06499	0.3
133.10095	0.2
133.96387	0.4
136.07555	1.7
145.04968	0.4
145.10182	0.3
148.06053	0.2
151.07542	15.4
152.07932	0.2
157.10110	0.2
161.13193	0.2
163.03946	0.2
184.42053	0.2
200.08971	0.2
203.03595	0.3
246.11255	2.8
256.06107	0.3
257.04440	2.1
257.06860	0.3
271.72531	0.2
380.59738	0.2
408.16519	11.3
409.08987	1.2
432.67038	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.331
Annotation	Unknow
Peak:m/z	Relative Intensity
52.69288	1.1
53.03946	1.6
55.05507	8.6
57.07059	3.3
61.02919	1.4
67.05183	1.4
67.05508	18.2
69.03426	2.0
69.07073	15.6
69.78768	4.2
71.04998	1.5
71.08627	1.0
79.05504	8.8
81.07057	36.2
83.04933	1.3
83.08624	9.1
91.04972	1.4
91.05480	15.3
93.07047	25.9
95.04960	2.5
95.08607	46.0
96.74543	1.1
97.02923	1.0
97.06538	2.5
97.10152	3.9
105.07034	28.2
107.08596	31.3
109.06509	2.2
109.10149	23.9
111.08068	5.3
111.11694	1.5
113.09647	1.5
115.05447	2.4
115.84950	1.1
117.07002	11.1
119.08580	24.2
121.06458	1.2
121.10135	24.0
123.08057	2.2
123.11707	15.5
125.09634	2.6
128.06241	2.8
129.07002	13.0
131.08563	32.3
133.10135	23.5
135.11690	13.8
137.13268	5.2
139.11143	3.8
141.06989	3.9
142.07784	2.8
143.08553	22.0
144.09338	1.8
145.10132	33.0
146.10625	1.6
147.11703	12.8
149.13260	17.1
151.11198	2.1
155.08556	11.1
156.09311	1.9
156.32794	1.0
157.10147	16.0
158.10704	1.9
159.11681	16.9
161.09636	1.7
161.13269	10.6
161.41786	1.1
163.14825	24.4
165.12715	1.5
165.16315	1.4
167.08498	2.5
168.09267	1.6
169.10107	13.8
170.10968	1.1
171.11723	10.4
173.11775	1.9
173.13264	37.1
173.14714	2.3
174.13724	1.0
175.14832	14.7
177.16402	13.8
179.14304	3.3
181.10104	7.1
181.15933	1.4
183.11655	9.9
185.13220	7.6
187.14824	46.2
189.16386	8.9
193.10069	1.3
193.15891	3.7
195.11725	4.3
195.17325	1.2
197.13300	8.2
199.12988	1.7
199.14825	29.8
201.16386	12.8
203.14241	1.5
203.17982	18.0
205.15874	1.4
207.17447	2.5
209.13335	3.2
211.14783	10.4
213.16373	39.0
215.14252	1.1
215.17969	9.0
217.15894	6.6
221.18996	12.0
222.13965	1.7
223.14890	2.9
225.16382	18.3
227.17963	12.2
229.19540	4.5
231.17290	1.9
233.19048	2.9
235.14909	1.8
237.16379	40.5
238.16702	1.6
239.17949	30.0
241.19511	13.0
243.21104	2.5
245.18968	2.3
249.16435	1.6
251.18039	5.3
253.19539	27.9
255.21184	5.1
259.08472	1.5
263.17957	2.3
265.19513	6.0
267.08932	1.5
267.21057	11.7
269.22818	1.2
277.19568	3.4
279.20956	5.1
281.22635	5.1
283.20706	1.7
283.24039	1.2
285.10107	1.5
291.21194	1.6
293.22598	1.5
295.24207	2.6
295.27411	1.2
297.22012	1.7
305.22830	2.9
307.24152	3.3
311.23865	1.6
319.23959	1.9
321.25793	1.4
323.23492	1.2
333.25629	3.6
347.27246	2.0
349.28983	7.6
367.18231	1.4
389.32037	21.1
407.24152	6.3
407.33014	100.0
408.33322	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	407.2792
Annotation	Unknow
Peak:m/z	Relative Intensity
51.96258	0.5
55.05511	3.0
56.12752	0.5
57.07080	8.8
65.03933	0.8
66.41332	0.5
69.07072	19.5
69.15047	3.9
69.15469	1.8
71.08634	11.4
81.07045	0.6
89.06047	1.1
107.08582	0.9
111.11725	8.1
113.13298	0.8
119.08573	0.7
121.02861	3.9
121.03632	0.4
121.04017	0.5
121.10159	0.6
129.12752	5.6
133.08678	0.8
133.10078	0.7
149.02348	100.0
150.02785	0.8
167.02118	1.1
167.03430	8.6
182.80806	0.6
190.05055	1.6
204.38745	0.5
407.24945	2.9
407.33377	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.2008
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	3.9
55.05508	11.4
56.96564	35.7
57.03433	10.6
57.07090	6.1
58.06622	3.3
61.02928	20.2
67.05512	28.2
69.03426	11.3
69.07067	24.7
69.84232	5.5
69.84645	10.5
70.06599	25.6
71.01352	3.2
71.04993	5.8
71.06926	3.5
71.45611	2.7
71.95253	3.2
72.08174	3.1
73.02918	13.0
75.45764	2.7
79.05495	22.1
79.23003	3.0
81.01240	2.6
81.03417	23.3
81.07064	25.7
83.04989	6.0
83.08627	10.0
85.02920	27.6
86.09711	8.3
87.33809	2.7
88.07648	8.8
89.06049	2.9
89.07971	3.3
91.03952	13.9
91.05498	21.0
93.07047	22.4
95.04997	8.4
95.08608	15.9
97.02897	25.3
97.10191	3.0
98.97588	9.9
99.04490	3.6
101.02386	7.1
102.09163	6.0
103.03969	4.8
105.07049	11.9
107.04975	10.0
107.08620	13.9
109.02891	5.7
109.10199	9.1
110.97579	6.6
119.08607	11.2
121.10170	13.2
123.08100	3.6
123.11727	3.6
127.03929	8.3
128.98636	5.1
129.07042	4.7
131.00224	3.4
131.08591	8.6
133.10185	11.4
135.11719	3.5
139.11221	6.1
141.86844	3.1
144.50574	3.0
145.05020	4.6
145.10129	6.6
146.11821	8.5
146.99684	2.9
147.11723	5.7
149.01268	3.8
149.09702	4.8
149.13271	3.6
153.02263	3.8
157.10158	3.5
158.99715	3.5
159.11824	7.7
163.11308	4.1
167.03813	2.9
169.01773	2.9
175.11142	3.7
179.30873	3.0
184.07445	4.6
185.04990	4.5
187.03954	6.1
193.12328	9.3
197.04880	2.9
199.06483	10.7
203.05925	3.7
211.06523	3.2
211.13254	3.4
213.08018	5.6
217.07542	10.6
223.06493	5.6
225.07928	4.1
229.07562	4.8
241.07437	18.6
243.08914	13.1
249.07927	4.7
251.09546	4.2
255.08908	19.2
256.09503	4.5
256.26355	20.6
257.26688	18.6
259.08572	32.7
267.09036	44.6
267.11536	3.3
267.15897	14.1
269.10541	29.5
269.17340	3.4
273.10144	11.8
275.20215	5.0
280.09814	3.5
281.10742	3.7
284.12903	11.1
285.10089	59.9
285.16901	6.8
286.10416	4.3
287.11707	9.6
292.12399	3.6
300.29031	14.0
301.29340	21.5
303.11365	10.7
308.11725	7.1
331.16086	9.1
340.15475	6.9
344.31802	8.7
345.32117	8.0
349.16696	35.3
350.17322	5.9
367.18091	19.8
372.18726	5.4
372.23282	3.2
389.19153	4.9
390.19565	4.2
398.19858	5.1
406.35336	50.3
407.15503	5.3
407.24179	56.1
407.35751	100.0
429.21515	3.9
431.23032	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	406.2437
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	2.1
55.05511	2.1
61.02936	2.1
65.20985	1.6
67.05511	2.6
69.03430	18.1
69.90096	1.4
69.91666	1.9
69.91998	7.1
70.06596	1.9
71.04995	25.2
72.08129	1.7
78.03464	2.2
79.01537	1.5
79.05487	11.5
81.03426	14.8
81.07060	3.2
84.04480	1.5
85.02905	26.1
88.13754	1.4
89.06037	4.9
91.05485	6.7
93.07047	33.2
95.04959	2.8
97.02901	14.9
97.06490	2.2
98.09696	1.7
99.04465	5.3
105.07025	12.6
106.02901	11.0
107.08620	1.9
109.02879	11.5
111.08042	1.8
116.07112	3.7
119.08604	6.3
121.10146	100.0
122.10444	1.8
123.08035	3.2
123.11739	2.8
124.03954	14.2
127.03910	18.6
131.21967	1.9
133.07674	1.7
133.10118	2.3
137.06000	2.0
139.03835	1.5
145.04953	12.6
145.10185	1.7
149.05992	1.5
151.11205	1.6
163.04015	1.8
167.07074	2.3
167.14346	2.0
173.13249	1.8
191.14305	4.6
197.08170	1.9
209.15366	11.8
215.07109	3.2
215.09180	14.3
222.09731	1.4
231.81476	1.6
233.07932	2.8
233.10211	41.1
250.07196	7.5
259.11011	3.0
268.08258	7.4
328.10025	2.5
346.11121	5.1
356.09451	1.9
374.10757	2.8
388.14746	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	406.1642
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.0
53.53091	0.6
55.01865	2.5
55.05510	1.5
56.05041	5.1
57.03441	5.2
57.98803	0.7
58.99591	8.7
61.01137	1.0
67.05532	0.5
68.05017	1.0
69.07031	0.7
69.26020	0.6
69.75333	0.6
70.66040	1.8
70.99590	0.8
73.01130	1.3
74.00658	1.2
76.02228	16.2
76.03983	2.0
79.05505	3.4
80.05025	0.8
81.07056	15.9
83.06099	1.7
83.67191	0.6
84.04507	25.7
85.01130	3.0
85.35230	0.6
86.00667	3.8
86.98591	0.8
86.99056	6.6
87.02686	4.9
88.02227	1.6
91.01046	0.6
94.06551	1.1
95.08610	1.8
96.08116	0.9
97.01115	1.1
97.06525	1.8
98.09706	11.1
99.08108	4.0
101.00595	1.0
101.30045	0.6
102.05547	4.6
105.07001	1.5
108.38739	0.7
110.09692	1.6
112.03956	4.2
113.04240	5.3
115.05796	1.9
116.01683	20.1
122.09664	1.2
127.05774	1.4
129.06570	2.7
130.05000	5.8
130.06873	2.7
130.08624	1.5
139.05746	0.9
142.03226	2.1
143.02711	1.2
144.01137	6.5
145.06058	1.2
156.08426	16.7
156.10193	9.4
157.06834	8.5
162.02211	19.1
170.02708	1.2
174.09494	11.4
179.04848	8.5
187.05502	0.9
189.03293	1.4
210.11264	2.5
216.06920	5.1
233.05919	1.3
242.08446	0.7
259.11124	100.0
260.09348	1.0
260.11639	0.7
266.02872	0.7
272.06564	0.7
273.03882	2.5
274.04263	6.2
277.12198	2.0
285.12759	1.9
295.69714	0.6
300.05893	2.8
301.93018	0.7
308.08945	1.1
313.12094	4.7
314.07635	0.6
328.05142	3.3
331.13217	6.6
340.05334	1.2
358.06363	1.0
370.06271	1.2
388.07501	1.5
388.15320	2.0
406.08514	1.3
406.16440	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	405.315
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05517	4.8
57.07059	1.4
65.03941	0.9
67.05505	8.3
69.07061	5.3
69.60248	2.8
71.04981	0.5
79.02713	0.5
79.05491	5.2
81.07058	12.6
83.08597	2.4
84.72469	0.5
91.05470	5.8
93.07047	10.7
95.04972	1.1
95.08609	28.7
95.72198	0.4
97.06533	0.8
97.10155	1.0
98.21516	0.7
99.08092	2.0
105.07035	13.3
107.08595	13.5
109.06474	0.7
109.10159	11.2
111.08068	1.3
117.07026	3.6
119.08585	18.5
121.09327	0.9
121.10140	10.9
123.08025	0.9
123.11725	4.6
128.06239	1.0
129.07027	2.9
131.08566	8.6
133.10133	9.9
135.11693	5.0
137.13196	0.9
139.11124	0.6
141.07008	1.5
142.07785	2.2
143.08563	9.1
144.09338	1.1
145.10123	15.5
147.11694	8.5
149.13234	4.8
151.11159	0.8
154.07730	0.7
155.08540	3.2
156.09329	1.7
157.10138	10.2
158.10916	1.5
159.11696	12.0
161.09657	0.7
161.13254	8.5
163.14815	5.1
165.06984	0.9
167.08589	1.6
168.09358	1.3
169.10126	6.5
170.10837	1.2
171.11678	10.2
173.13272	10.9
173.14713	0.9
175.14835	6.8
177.16420	2.5
179.08563	1.1
179.14325	0.6
180.09523	0.6
181.10126	4.4
182.10899	1.7
183.11694	7.5
184.12534	1.2
185.13284	8.7
187.14828	9.0
189.16380	2.7
189.31294	0.5
193.10164	2.0
194.10902	1.3
195.11691	5.6
196.12534	1.7
197.13232	6.7
199.14816	7.5
201.16380	7.6
203.14262	0.8
203.17941	1.6
207.11688	2.3
208.12485	1.6
209.13249	6.6
210.13956	0.7
211.14830	6.6
213.16356	8.6
215.14363	1.5
215.17960	2.0
217.15843	3.3
219.11754	0.7
221.13231	2.6
222.14058	1.5
223.14830	6.4
224.15498	0.8
225.16396	4.1
227.17947	3.2
229.15884	1.4
231.17502	1.5
233.13229	1.5
234.14197	0.8
235.14816	7.1
236.15578	1.0
237.16396	10.6
239.17947	5.5
241.15765	0.7
241.19595	2.5
245.19206	0.6
247.14879	1.4
249.16457	1.9
251.17958	13.7
253.19553	4.8
255.17471	2.0
255.20999	0.9
257.19028	1.9
259.20709	0.6
261.16565	1.3
263.17969	3.0
265.19595	4.5
267.21017	1.0
269.19092	0.9
275.17920	0.9
277.19336	2.7
279.21051	2.1
281.19003	1.3
283.20483	2.1
289.19522	1.6
291.21091	2.0
293.22626	0.7
295.20670	0.8
303.21170	1.4
305.22629	1.4
306.81876	0.7
307.20529	0.6
307.24017	0.6
309.22134	2.1
311.23749	5.5
317.22726	2.2
319.24234	1.5
321.25797	1.4
329.22623	0.8
331.24380	2.8
333.25842	1.7
335.23758	1.5
336.24420	0.6
344.25177	0.6
347.23679	0.7
347.27341	4.0
349.25143	0.7
359.27319	1.7
362.26007	1.8
363.26910	1.0
374.30063	0.8
377.28226	3.4
377.32452	0.6
387.30554	7.5
405.31546	100.0
406.31879	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	405.2637
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	7.6
53.21341	3.6
55.01859	11.5
55.05515	50.2
56.96559	16.3
57.03439	8.4
57.07060	3.7
60.32030	3.8
61.02935	10.7
65.03950	6.2
67.05506	64.3
67.17533	3.5
69.03419	12.5
69.07077	48.6
69.38412	29.2
71.04997	7.9
73.02915	9.2
79.05500	55.2
81.03423	11.2
81.07054	74.5
83.04987	10.5
83.08635	40.4
84.99894	3.4
85.02913	13.4
85.06553	4.3
87.04459	5.1
91.03968	4.9
91.05486	81.8
93.07053	63.6
95.04967	11.8
95.08604	43.5
95.47390	3.3
97.02917	9.8
97.06528	14.2
97.10155	10.7
98.20702	7.0
98.24902	3.7
99.04426	5.2
99.08101	5.3
103.05488	4.6
105.07032	67.3
107.04964	11.0
107.08601	32.7
109.06535	14.6
109.10174	16.6
111.08066	9.2
115.05461	7.9
117.07019	50.4
119.08582	36.8
121.06522	8.1
121.10154	30.1
123.08052	9.1
123.11771	4.5
125.09633	7.4
127.03955	7.3
128.06232	13.4
129.07022	57.4
131.08566	100.0
133.06499	9.1
133.10136	20.2
135.08098	8.6
135.11671	8.3
137.09685	4.6
139.11197	7.7
141.07024	20.1
142.07753	4.2
143.08577	38.3
145.06526	6.0
145.10106	26.7
147.08066	7.4
147.11702	10.9
149.09676	11.7
149.13219	4.5
151.11076	5.1
154.07764	4.4
155.08548	35.0
157.06464	5.0
157.10132	26.9
159.08060	4.7
159.11647	20.9
161.09605	5.2
161.13249	7.4
163.11191	10.8
165.06985	5.3
167.08583	10.4
169.10114	19.2
171.08052	7.6
171.11703	14.2
173.09570	4.8
173.13300	4.9
175.09782	5.3
175.11119	7.8
179.08481	4.8
181.10173	14.4
183.11726	15.8
185.13275	12.2
193.12216	5.4
194.10680	3.8
195.11659	15.5
195.13762	4.2
197.13345	8.0
199.00389	3.8
199.14774	5.7
203.14273	4.2
209.13298	8.2
211.11292	3.8
211.14833	7.8
221.13341	16.1
223.14911	18.6
225.58228	3.9
227.05925	3.8
231.17528	4.4
233.15361	13.2
235.14937	8.5
239.14322	10.0
241.15936	7.0
243.09100	4.2
247.17007	4.1
253.15878	9.4
257.15442	8.2
259.08615	4.5
259.17023	7.2
271.17212	7.0
273.04044	6.6
283.08554	6.3
285.10098	7.8
301.09543	4.9
323.23584	8.7
333.22186	16.3
341.24771	13.2
345.14047	5.8
351.23242	45.4
365.16330	5.8
369.24280	33.2
387.25269	37.4
405.26297	19.1
405.31192	7.9
406.34836	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	405.1295
Annotation	Unknow
Peak:m/z	Relative Intensity
51.48253	0.9
55.01873	3.5
55.05481	0.8
59.03341	1.0
65.03956	1.0
67.05494	1.6
69.79170	5.2
70.06589	1.8
76.91990	1.0
78.04738	1.1
79.05520	1.3
81.03415	1.1
81.07063	1.7
83.05001	2.0
83.85539	1.0
84.08131	1.1
85.02901	2.1
91.05502	1.5
91.07803	0.9
93.07073	1.3
95.04948	1.2
97.02894	1.7
97.06553	1.9
103.05443	1.3
105.07032	1.9
107.04974	2.3
107.08573	1.2
108.08094	1.2
109.06605	1.1
119.08617	1.4
121.06525	1.6
121.10223	1.3
123.04449	3.5
123.08101	5.7
124.04738	1.5
124.08408	3.8
131.04968	1.1
133.10156	1.4
136.07558	1.0
137.05977	3.9
139.03914	4.4
141.06940	1.4
145.06517	1.5
145.10170	1.3
147.04424	2.2
147.11693	1.2
161.06012	1.6
161.10852	1.1
163.03972	1.4
163.07634	1.0
164.07045	1.1
165.05531	1.1
167.07059	7.9
175.07620	2.0
177.05518	1.3
181.04982	3.0
183.09190	2.0
184.07564	1.3
187.07416	1.2
189.10280	1.7
191.07112	1.3
193.08640	1.3
195.06450	1.4
197.07048	10.8
198.07793	1.8
199.08739	2.2
210.07793	1.8
211.08653	12.2
212.09474	1.6
213.05518	1.6
213.10248	2.2
217.08566	1.7
219.10257	1.4
225.06639	17.9
225.10172	9.0
226.07281	1.3
227.08156	3.0
227.11816	1.9
228.10283	1.3
229.09615	1.9
233.08215	1.2
235.08762	1.9
237.10316	1.5
239.04489	3.7
239.08171	31.2
240.08896	2.3
243.07716	3.5
245.12871	23.1
253.05920	1.3
253.09706	16.7
254.10258	1.1
255.07631	2.7
255.11324	3.3
257.05655	2.8
257.09293	6.6
259.09869	1.0
263.08258	1.3
267.07611	16.2
268.08438	1.4
269.08853	1.3
271.06409	1.7
271.07883	1.2
271.10724	9.9
273.03937	9.5
273.08582	1.2
281.09204	22.3
283.10709	2.3
285.03976	1.2
285.08636	5.6
289.11868	4.9
293.09106	2.7
297.08545	1.7
299.06061	3.0
299.10263	24.9
309.08694	25.6
311.10361	5.6
313.08063	1.7
317.07965	1.5
317.11395	3.1
323.05630	1.5
327.05295	3.3
327.09760	54.0
329.11414	9.0
337.07886	2.1
345.10834	86.4
347.20435	3.2
355.09235	6.6
359.12540	1.0
369.06168	1.2
373.10321	100.0
374.10547	1.9
377.13699	1.4
387.07312	2.3
387.12000	4.7
405.08237	2.0
405.12955	20.9
405.20770	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	404.3009
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	3.3
53.45118	2.9
55.01867	6.9
55.05511	25.7
56.96566	49.8
57.03441	18.5
57.07080	3.1
61.02914	4.0
66.16570	2.7
67.05183	4.7
67.05507	59.7
69.03423	3.8
69.07074	27.8
69.68269	18.5
71.04975	7.3
71.08632	19.1
72.96024	3.5
73.02879	4.7
75.58604	3.2
79.05495	48.1
81.03420	6.5
81.07063	74.5
83.04967	10.2
83.08613	17.5
85.02890	6.6
85.06541	5.7
91.03979	4.1
91.05460	29.5
93.07044	50.0
95.04979	16.7
95.08620	35.1
97.02890	6.7
97.06517	9.7
97.10165	8.3
98.97581	5.6
99.04406	3.5
99.08108	18.3
105.07037	20.2
107.04977	3.6
107.08602	28.2
109.02905	3.7
109.06514	3.7
109.10141	12.8
110.97531	3.4
111.08073	9.7
115.03871	3.0
117.06994	11.7
119.08575	14.5
121.10165	15.6
123.08049	3.4
123.11685	4.7
125.09624	6.2
131.00197	3.7
131.08595	14.0
133.10138	17.9
135.11699	8.7
137.02747	4.2
139.00635	3.3
139.07486	4.5
139.11154	5.6
143.08479	3.4
145.10085	6.7
147.11684	8.3
149.13257	20.1
150.92557	3.2
151.11195	15.4
159.11691	16.3
161.13269	10.9
163.11172	11.3
171.03320	4.8
173.11766	9.0
177.12767	17.8
179.14288	9.4
185.04829	4.8
195.13803	10.1
203.05878	5.0
225.07953	8.1
227.12782	16.0
229.07526	4.3
229.14410	4.8
237.07874	4.3
241.07275	3.2
241.19373	5.0
243.09039	4.0
253.11313	3.4
255.08896	4.4
259.20554	9.3
267.08997	4.5
269.10788	8.0
269.17496	100.0
277.21805	19.6
279.12979	4.4
283.08566	5.1
285.09970	4.1
291.09085	4.0
299.07947	6.2
307.12170	5.9
317.10797	16.2
335.11847	15.6
345.13779	12.3
351.25314	33.7
363.14615	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	404.3009
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	7.2
55.05518	32.8
56.96558	20.0
57.03429	28.1
61.02925	9.1
67.05506	66.6
69.03433	10.9
69.07079	33.9
71.04983	14.6
71.08631	33.6
71.52621	7.8
73.02919	6.8
79.05498	46.6
81.03420	12.6
81.07066	70.7
83.04960	8.3
83.08603	25.9
85.02908	7.7
91.05507	40.9
93.07050	58.0
95.04948	14.2
95.08623	33.6
97.02887	8.5
97.06512	14.6
97.10155	22.9
99.08107	33.5
105.07027	24.8
107.08582	39.2
109.06564	6.9
109.10112	16.4
117.07021	8.3
119.08571	21.8
121.10095	19.5
125.01740	6.6
125.09618	17.9
131.08537	11.5
133.10112	20.7
135.11707	15.9
137.09525	7.5
145.10095	8.8
147.11716	10.6
149.13261	22.8
151.11143	17.0
159.11693	22.7
161.13251	14.7
163.06343	12.9
163.11165	16.2
171.11702	9.7
173.11736	25.1
177.12727	20.3
179.14267	10.2
189.11215	12.2
195.13754	8.2
227.12903	15.8
245.13881	8.4
259.20679	11.5
269.17490	100.0
277.21750	30.5
286.19971	8.0
351.25357	59.0
368.28149	9.3
413.93005	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	404.2281
Annotation	Unknow
Peak:m/z	Relative Intensity
52.61220	3.5
55.05497	4.8
56.96566	6.5
67.05489	12.4
69.03403	6.2
69.07069	4.7
70.06575	4.2
71.04974	6.1
72.08154	5.7
72.18256	3.5
79.05495	7.8
81.03409	6.4
81.07056	13.7
83.04974	5.3
85.02905	23.9
86.03232	3.2
86.09705	5.2
87.08136	8.3
88.08474	5.8
91.05474	10.4
93.07021	9.5
95.04931	10.7
95.08595	8.2
97.02908	4.1
97.06508	4.7
105.07034	9.1
107.04951	6.3
107.08599	12.3
109.02895	3.5
109.06538	22.4
109.10148	12.1
110.97561	4.6
111.04380	7.3
111.08074	7.5
119.04953	5.8
119.08579	10.6
121.06479	4.1
121.10112	13.9
123.04430	19.3
123.08087	19.3
123.11709	19.4
133.10123	4.8
135.04436	4.2
136.07526	4.1
137.09627	100.0
139.03880	35.9
145.10107	8.1
147.04414	6.9
147.11682	11.7
161.13220	7.3
163.03883	13.9
165.12753	83.2
166.05859	5.6
175.07523	12.7
179.14311	6.6
189.12694	18.8
191.03336	16.3
207.13832	58.6
219.10182	9.7
225.14841	23.1
234.08565	6.6
404.17749	4.3
404.24265	8.5
404.29440	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	404.1917
Annotation	Unknow
Peak:m/z	Relative Intensity
51.59191	1.4
53.03954	1.4
56.96572	9.6
57.03423	3.6
59.76394	1.5
67.05493	2.8
69.03438	2.8
69.07028	1.5
70.06581	1.5
70.83983	3.3
71.04974	2.5
72.08159	2.4
79.05484	3.2
80.59359	1.7
81.03421	4.0
81.07034	2.0
85.02914	7.3
88.03980	2.9
88.30582	1.6
91.05495	6.8
93.07039	6.3
95.04959	5.5
95.08572	1.7
96.65691	1.3
97.02875	1.8
99.04439	2.2
102.05550	3.3
103.05458	2.8
105.02728	2.6
105.03400	40.8
105.07002	3.2
107.04950	3.3
107.08535	2.2
109.06554	3.2
117.06985	2.2
119.04953	2.9
119.08595	2.7
121.06504	34.2
123.04425	23.3
124.04756	10.1
127.03913	2.3
131.00136	1.7
131.08495	2.3
133.06491	7.9
135.08043	1.9
137.05940	2.5
139.03867	4.5
145.06448	1.8
147.04407	6.9
147.08064	3.5
148.04759	4.0
148.06062	1.9
151.03873	2.9
151.07579	2.4
154.93213	2.6
161.05986	26.6
162.06535	1.9
163.03888	5.8
163.07568	3.9
164.07895	1.5
165.05550	8.6
166.05801	2.6
167.07048	2.2
172.94283	5.7
173.06117	1.5
174.06737	1.3
174.84952	1.4
175.07585	5.9
176.08334	69.0
176.09872	3.4
177.05446	5.8
177.08986	5.2
190.95395	2.5
191.07072	1.8
192.07863	4.6
205.08545	3.1
206.08989	2.8
207.10179	100.0
221.08502	2.7
223.06490	3.3
233.08104	8.3
234.08490	12.8
239.07309	2.4
239.09566	24.8
241.07478	22.3
242.11743	42.0
245.08014	2.1
246.08466	1.9
257.10614	10.5
259.08484	10.2
273.04080	2.6
283.08508	17.0
301.09579	32.6
319.05466	1.9
319.10574	2.2
324.11298	2.0
325.54031	1.6
328.08640	2.0
337.06183	1.9
340.19656	1.5
345.10953	1.8
368.12051	3.0
381.05231	3.8
386.13177	11.1
387.27155	1.6
404.14764	4.6
404.23331	2.5
404.29419	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	404.1553
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02370	0.6
53.03951	3.2
55.01833	0.5
55.05503	0.9
57.03430	0.5
69.03429	8.7
71.04984	1.5
71.06592	0.8
71.06905	0.6
73.02911	0.8
78.03452	11.9
80.05007	2.1
81.03419	15.8
83.04996	2.7
85.02905	6.7
96.04504	2.4
96.27949	0.5
97.02888	4.3
99.04451	2.5
101.06018	4.2
106.02914	48.3
109.02883	9.0
121.71887	0.6
122.02350	0.5
124.03954	100.0
127.03918	5.3
135.04454	0.7
139.05115	0.6
140.03433	0.5
145.04929	0.8
163.03922	2.1
166.05087	1.1
213.52138	0.5
226.06909	0.5
232.06036	4.4
233.06425	0.5
250.07121	17.3
265.71887	0.4
268.08163	65.1
269.08603	0.8
280.93625	0.5
286.09134	3.7
318.00992	0.5
341.43283	0.5
386.14444	0.7
386.28506	0.5
389.74966	0.5
404.15491	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	403.1576
Annotation	Benzyl beta-primeveroside
Peak:m/z	Relative Intensity
52.74775	0.8
62.57836	0.6
69.67176	2.9
72.08189	0.8
85.02897	1.1
86.09697	1.1
87.96991	0.6
90.92368	0.6
92.04812	0.6
99.08503	0.6
109.06450	0.6
123.04442	1.1
127.03889	0.5
139.03842	0.7
163.03888	1.1
206.61052	0.7
271.05850	0.6
333.07870	1.5
335.09586	1.3
393.64655	0.6
403.15747	100.0
404.16333	1.1
427.87717	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.1389
Annotation	Rubiginosin B
Peak:m/z	Relative Intensity
50.01600	0.6
55.01866	1.5
55.05507	1.2
57.03430	1.7
59.37792	0.7
67.05493	2.7
68.99792	1.0
69.03424	0.9
69.07045	0.7
70.42873	1.7
71.05008	1.1
77.03922	1.0
79.05482	3.4
81.03409	1.1
81.07057	4.2
83.08620	0.7
83.37382	0.7
84.08149	0.6
91.05475	5.5
93.07063	1.6
95.04964	6.1
95.08562	1.0
97.02908	1.3
97.06536	0.8
103.05450	0.7
105.03374	1.5
105.07024	2.2
107.04945	4.0
107.08611	1.8
109.02870	0.7
109.06516	7.4
109.10146	1.1
111.04493	0.8
115.05428	1.0
116.06343	0.6
117.07033	1.3
119.04933	9.6
119.08570	2.1
121.02888	0.8
121.06508	1.8
123.04428	100.0
124.04786	0.8
131.04968	0.7
131.08546	2.7
133.06509	1.6
135.04436	2.9
135.08049	4.5
137.02374	1.0
137.05968	7.0
139.03917	3.6
143.04904	1.4
145.06467	1.8
147.04410	31.0
147.08005	1.8
149.05969	2.5
151.03911	5.6
151.07549	1.3
153.05478	1.0
153.19609	0.6
155.07040	0.9
159.07985	1.7
161.05986	5.7
161.09650	0.8
163.03876	3.0
163.07578	6.9
165.05486	23.0
167.07074	0.8
173.05879	1.3
175.04066	0.7
175.07578	1.5
176.04660	3.9
177.05440	4.0
177.09081	2.5
179.07080	4.2
181.04976	1.0
187.03897	0.7
187.07535	2.6
189.05461	7.4
189.09094	0.9
191.06996	5.0
197.06017	0.8
201.05397	1.1
203.07137	1.0
205.04802	0.7
205.08571	9.6
207.06546	3.7
213.05579	0.8
215.07109	3.6
217.08614	6.8
219.06549	2.3
221.08087	2.7
227.07024	0.8
229.07402	0.7
233.08081	61.1
234.08626	0.8
235.09662	0.9
245.08044	7.4
245.10101	0.8
251.09206	1.8
255.06555	1.9
263.09134	2.9
275.09003	0.8
291.08615	1.0
339.12436	0.9
341.10159	1.8
343.11572	0.8
349.10553	0.7
357.13107	0.9
367.11798	12.0
367.22577	1.8
385.12799	34.6
385.23679	1.5
403.13895	2.5
403.24084	1.8
403.29446	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.1387
Annotation	Unknow
Peak:m/z	Relative Intensity
50.16929	1.0
53.03955	1.1
54.86129	1.1
55.01882	1.7
55.05482	1.4
62.52678	1.1
65.03952	1.0
66.95087	1.0
67.05495	2.6
68.99769	1.2
69.03415	2.3
69.07079	1.6
70.06586	5.7
71.52631	2.5
71.52985	1.1
72.07755	2.5
72.08157	50.9
79.05481	3.6
80.05017	1.7
80.18208	1.0
81.03436	1.9
81.07052	1.3
83.04958	1.4
84.08118	2.3
85.02893	1.8
86.09711	2.0
91.05479	5.9
93.07029	3.3
95.04948	3.5
95.08597	1.9
95.17379	1.1
97.06510	1.4
98.97561	1.7
105.07034	3.8
107.04958	4.4
107.08559	1.3
108.04511	1.4
109.02857	1.1
109.06528	4.1
111.04439	1.5
115.05484	2.3
117.06966	2.0
119.04935	5.9
119.08578	3.1
121.06496	2.9
123.04433	65.0
123.08083	1.2
127.03933	2.0
129.01900	1.6
131.04892	1.4
131.08592	1.7
135.04422	3.1
135.08031	3.1
137.05960	4.0
139.03893	8.6
145.02861	1.2
145.10172	2.4
147.04405	19.1
147.07941	1.1
149.05986	1.9
150.09129	13.3
151.03902	4.2
152.67653	1.5
157.10191	1.4
161.06012	3.3
163.03909	5.1
163.07535	4.2
165.05524	10.6
167.07043	2.6
175.03923	3.2
175.07462	1.4
176.04713	1.8
177.05479	5.2
177.09178	1.3
179.07059	3.3
187.03860	1.5
187.07507	2.6
189.05490	4.1
191.07060	4.2
201.05418	1.2
202.08594	1.5
203.07018	1.7
203.20982	1.0
205.08582	7.4
205.11955	1.2
207.06538	3.4
215.07047	1.7
217.08612	3.8
221.08064	2.0
233.08083	29.9
243.08975	1.3
245.08081	5.9
263.09140	2.4
270.08417	1.2
316.22870	1.5
327.08685	1.2
332.22296	3.6
339.12256	1.7
344.22119	12.5
358.27396	2.0
367.11511	6.9
368.25800	5.0
385.12805	19.0
385.28546	5.3
386.26892	56.9
403.14624	3.1
403.29544	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	402.2851
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	13.3
55.05498	41.6
56.96546	13.5
57.03434	22.3
59.04997	8.6
60.88927	7.8
61.02908	11.5
65.30991	8.8
67.05506	80.1
69.03389	16.6
69.07069	53.4
70.82999	8.2
71.52342	14.5
71.52733	12.0
79.05499	82.3
81.03419	15.6
81.07069	100.0
83.04960	13.7
83.08634	21.8
85.02887	14.6
86.09693	11.3
91.05505	46.0
93.07048	77.4
95.04951	12.4
95.08605	36.2
97.06519	24.3
97.10178	19.8
98.97573	11.7
105.07021	39.5
107.04797	9.7
107.08599	57.1
109.10130	14.6
111.08126	9.8
117.07028	17.9
119.08566	38.4
121.10127	28.4
123.08057	15.0
123.11708	8.1
125.09575	8.5
131.08562	29.7
133.10133	29.3
134.25912	9.2
135.11671	27.0
140.14377	9.7
143.08435	10.7
145.10124	22.0
147.11649	18.8
149.09656	15.9
149.13258	29.8
158.69356	8.9
159.11719	27.0
161.13179	9.2
163.11186	14.7
173.13213	16.9
177.12726	8.9
179.14340	9.5
185.13058	9.3
215.61426	9.3
229.07361	12.1
255.15897	67.1
257.19073	16.5
269.17459	72.3
275.20111	35.9
312.93631	10.5
316.11499	11.8
349.23669	36.6
402.29068	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	402.2852
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	42.6
56.96565	21.7
57.03429	34.1
67.05509	97.7
68.88629	13.0
69.03432	21.3
69.07057	48.8
79.05498	77.2
81.07065	100.0
83.04993	18.8
83.08624	21.9
85.06557	16.4
91.03967	14.0
91.05485	54.0
93.07046	75.5
95.04929	18.6
95.08600	47.9
97.02882	15.4
97.06509	33.2
97.10186	23.2
105.07032	62.0
107.08593	53.7
109.10143	41.8
117.07024	22.0
119.08598	41.4
120.31330	12.9
121.10174	24.9
125.09604	21.3
131.08540	33.6
133.10127	41.6
135.11707	24.8
145.10121	33.0
147.11678	27.4
159.11714	28.2
171.78415	17.6
187.53763	13.8
195.13794	15.6
227.12898	19.5
229.14256	17.3
255.15907	42.8
257.19055	28.0
269.17422	70.6
275.20074	55.0
296.10327	15.6
349.23837	65.0
365.28760	14.6
367.24838	15.6
402.28564	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	402.2337
Annotation	Unknow
Peak:m/z	Relative Intensity
55.91670	0.8
56.85701	0.8
57.03433	1.9
59.05006	8.2
69.03421	2.9
70.06590	5.9
71.04987	1.4
71.52333	1.3
72.08160	1.5
73.02909	0.9
73.06535	1.9
77.06034	1.3
81.07040	1.1
85.02892	2.9
86.09700	3.0
87.03934	1.0
87.04476	35.1
89.06037	68.1
91.05482	5.4
96.04489	0.9
96.08093	1.0
97.02879	3.2
98.97591	1.2
99.04434	1.0
103.03948	100.0
103.07579	3.6
107.04986	1.5
107.07058	1.7
111.04448	1.4
115.03996	1.0
119.04969	1.0
119.07031	1.5
121.06465	1.0
121.08619	2.5
121.90188	0.9
123.04417	2.7
124.03948	2.0
127.03855	1.1
131.07048	10.5
133.04984	1.7
133.08612	39.8
137.07132	0.8
139.03908	31.4
140.04251	13.7
147.04454	5.6
147.06535	11.5
148.12132	0.9
150.50269	1.0
151.03975	1.9
153.41502	0.9
154.08647	1.4
163.03868	2.1
163.09682	4.1
164.57201	0.8
175.09743	5.1
177.05429	2.9
177.11235	18.2
187.07501	0.9
191.09123	8.8
201.09128	1.8
202.09444	1.0
203.07056	5.8
203.10649	1.2
204.10994	2.9
207.12279	3.5
219.12170	2.2
221.13803	3.1
229.15346	1.6
235.11800	7.1
240.06844	1.4
240.13414	1.8
251.14859	1.6
253.16612	0.9
269.16083	1.7
279.14438	1.7
283.17554	1.7
297.15488	2.0
327.20010	1.0
339.20135	5.3
341.18130	0.9
367.19751	2.6
371.11349	3.0
385.20746	29.1
402.14609	6.9
402.22488	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	402.1396
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	0.9
55.01878	0.9
57.03427	0.8
59.04998	1.6
61.02936	0.7
68.99803	0.7
69.03432	4.8
69.36026	3.2
70.06591	0.8
73.02929	0.5
78.03455	1.8
81.03412	5.6
85.02908	6.9
87.00828	3.4
89.06033	4.8
91.03970	0.4
96.04491	100.0
97.02894	2.2
99.04453	2.3
105.01865	1.4
109.02880	3.2
123.04427	1.7
127.03925	5.9
129.01826	0.5
133.08609	2.4
136.07564	3.6
139.03908	1.6
140.04195	0.5
145.04944	2.2
151.03925	2.0
154.08630	60.5
155.09100	0.5
159.02892	2.6
163.03905	1.5
164.07097	1.2
177.11263	1.0
213.03935	0.4
231.04968	1.1
327.20120	2.0
342.24887	0.4
356.11374	0.5
385.24478	0.6
402.13016	5.4
411.16959	0.4
418.15024	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	402.1972
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96565	6.2
57.03440	20.5
59.05005	22.4
60.10139	4.1
61.02921	7.6
69.03439	69.0
69.53953	24.4
70.06579	4.1
70.92464	4.5
73.02881	5.9
73.06185	6.4
73.06563	98.2
79.42673	4.7
81.03410	6.6
84.08143	5.9
85.02914	62.8
87.04469	48.9
89.03933	6.9
91.07594	33.3
97.02376	5.7
97.02899	63.7
98.97559	8.3
99.59870	4.7
109.02902	5.7
115.03941	100.0
117.03390	5.8
122.02690	7.9
127.03934	16.9
133.04967	90.6
135.04431	13.2
138.42017	4.5
139.03831	4.3
145.02814	9.0
145.04947	10.9
147.04433	5.0
148.27403	4.7
150.07637	5.3
159.08060	6.7
163.03922	47.3
164.04202	9.4
241.07230	4.2
253.12865	8.8
257.21371	4.5
259.08041	5.7
295.10193	5.5
402.15021	6.1
402.22299	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	402.1397
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	1.2
53.50006	0.4
55.01867	1.1
56.08279	0.4
57.03439	0.7
59.05003	4.1
61.02951	0.6
68.99789	0.9
69.03432	6.0
69.30203	3.3
70.06598	0.6
73.02931	0.9
78.03445	1.9
81.03417	4.8
85.02914	7.1
87.00829	3.7
96.04495	100.0
97.02895	2.1
97.04839	0.6
99.04458	1.8
102.56139	0.5
105.01854	1.4
109.02880	4.3
117.01832	0.7
123.04441	1.4
127.03916	6.4
129.01877	0.9
136.07578	6.6
139.03889	1.5
145.04970	2.1
151.03905	1.8
154.08636	79.8
155.08977	0.5
159.02879	3.1
163.03847	1.3
173.34816	0.5
181.05083	0.7
182.50937	0.5
184.31097	0.5
185.56775	0.5
189.03954	0.5
190.10323	0.6
231.04951	1.4
282.17685	0.5
328.11703	0.6
351.17838	0.5
384.10843	0.6
402.12091	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	402.1398
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.1
53.82672	0.4
55.01884	1.1
56.62204	0.4
57.03436	0.7
59.05005	3.9
60.50863	0.4
60.86074	0.4
61.02917	0.5
61.04983	0.4
68.99783	0.5
69.03431	5.3
69.26259	3.6
70.06588	1.2
71.04984	0.6
72.08157	0.5
73.02897	0.7
73.64411	0.4
75.03192	0.4
78.03455	1.4
81.03426	4.6
85.02901	6.4
86.09702	0.5
87.00829	3.8
96.04497	100.0
97.02897	6.8
97.04836	0.7
99.04470	2.2
105.01876	1.5
109.02879	3.5
117.01920	0.6
119.04958	0.4
123.04430	0.4
127.03938	5.5
129.01866	0.5
136.07585	11.2
136.08565	0.9
139.03909	1.2
145.04974	2.1
147.04417	0.7
151.03918	0.4
151.07591	0.4
154.08638	88.7
155.08908	0.6
159.02893	1.9
166.08681	0.6
167.07091	0.4
167.08667	0.3
177.05486	0.5
203.07016	0.8
231.05035	1.0
329.74054	0.4
331.11499	0.5
371.11185	0.6
384.14944	0.5
385.25687	1.9
402.13943	4.6
402.28287	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	402.1185
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	0.6
65.03928	0.6
67.05499	0.9
68.05022	1.1
68.99782	1.2
69.03428	2.1
69.05791	0.5
69.48206	1.9
69.48605	1.2
70.06596	7.4
72.08143	0.6
79.05492	0.9
80.05009	0.5
81.03414	1.9
83.04977	0.4
84.08139	0.5
85.02901	1.2
86.09709	0.8
87.34801	0.4
91.05484	5.6
95.04985	2.8
95.63598	0.4
96.04490	4.7
97.02882	2.1
107.04977	3.3
107.05591	0.7
109.02880	0.9
111.04406	1.4
114.05521	1.7
118.06504	0.8
119.08622	0.5
120.08090	0.5
122.06050	0.7
123.04436	31.9
125.05965	2.0
127.03944	0.7
133.02838	0.5
134.09618	0.6
135.04384	2.5
136.07568	1.5
137.05992	0.5
139.03903	6.3
140.04237	0.9
142.47551	0.5
143.99294	0.6
146.05966	0.8
146.09607	0.5
147.04413	0.7
148.07539	1.7
150.09119	0.5
151.03909	47.1
152.04216	0.6
153.05463	7.6
154.08632	2.6
161.03423	0.7
161.05928	0.4
162.09096	1.7
163.03911	25.7
164.07074	22.6
165.05486	1.9
166.31078	0.5
172.07607	0.5
174.09154	0.7
175.03758	0.5
176.07101	5.6
177.05438	1.0
178.08618	1.7
181.04970	17.6
189.05409	0.8
190.08609	1.8
192.06535	1.9
194.08141	6.2
203.07085	0.5
210.07747	0.8
217.04956	1.0
219.33197	0.5
222.07622	5.7
226.10831	7.9
231.16716	0.4
232.09734	0.8
234.07578	0.5
250.10780	0.8
286.10718	1.6
310.10663	0.7
328.11798	5.9
340.11740	1.4
343.20886	0.8
356.11343	11.4
374.12439	2.8
384.10843	9.2
384.15439	1.1
402.11755	100.0
403.12067	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.2801
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.8
55.01868	0.9
55.05508	0.5
55.99806	0.2
57.03441	0.5
61.02917	0.7
64.53293	0.2
65.03954	0.4
65.60077	0.2
67.05498	1.0
68.99784	0.6
69.03432	4.0
69.74112	1.2
70.06606	0.5
71.01342	0.2
71.04976	0.9
72.08158	26.5
73.02911	0.9
75.58948	0.2
79.05487	0.7
81.02985	0.4
81.03419	3.8
81.07056	1.6
83.04997	0.5
85.02907	7.3
85.06561	0.3
86.09714	0.5
87.00835	4.0
87.04496	0.4
91.03936	0.3
91.05476	1.1
93.07057	1.4
95.04961	1.0
95.08593	0.8
97.02892	8.3
99.04473	1.6
99.45518	0.2
101.01913	0.2
103.03949	0.4
105.01871	3.5
105.07032	1.4
107.04924	0.6
107.08603	1.4
109.02882	2.2
109.06532	1.0
109.10188	0.6
111.04480	0.2
115.05434	0.3
117.01869	0.5
117.07001	0.5
118.06498	0.2
119.08602	1.9
121.02872	3.8
121.03792	0.4
121.06510	0.3
121.10143	0.6
123.04430	2.7
123.08067	0.5
123.11689	0.2
127.03925	5.1
129.01801	0.4
131.08563	0.5
133.10144	0.8
135.04416	0.7
135.07964	0.3
135.11671	0.9
137.09682	0.3
139.03903	1.7
141.05453	0.2
141.06985	0.3
143.08559	0.4
145.02908	0.3
145.04947	3.3
145.10121	0.9
147.02882	0.3
147.04364	0.3
147.08080	0.3
147.11690	0.4
151.03972	0.4
151.07571	0.5
153.05467	4.2
153.12767	0.3
157.06546	0.2
157.10129	0.7
159.02896	1.3
159.11693	0.7
163.03891	2.3
165.10260	1.2
167.07062	0.9
169.10097	0.4
175.11185	0.3
177.05481	0.3
179.07030	0.4
181.05066	0.3
183.11848	0.2
187.03838	0.3
189.12691	0.4
197.13342	0.3
201.09056	0.3
203.10666	0.3
215.87424	0.2
217.08600	0.4
219.10164	0.2
219.13855	0.3
229.05019	0.7
231.05031	0.7
241.05084	0.2
243.13707	0.4
243.66699	0.3
247.05922	0.5
248.08232	0.3
259.08585	0.4
261.14777	0.3
303.17126	0.3
315.08624	0.6
321.16196	0.3
330.11002	0.6
330.20654	0.4
342.20703	0.5
351.12271	0.4
383.15030	0.8
384.25439	0.6
401.27997	100.0
402.23312	0.4
402.28351	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	401.2802
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45934	0.1
55.01844	0.2
55.05500	0.2
56.96545	0.2
57.03422	0.2
59.67105	0.2
67.05500	0.3
68.05046	0.2
69.03425	0.2
70.06583	0.7
71.52926	0.2
72.08137	0.6
73.91407	0.1
79.05495	0.3
81.07063	0.3
84.08124	0.4
85.02890	0.2
86.09689	0.3
91.05458	0.7
93.07035	0.2
95.04949	0.4
95.08581	0.3
97.02883	0.3
97.06523	0.2
98.97578	0.3
99.04445	0.2
103.05510	0.2
103.52556	0.2
105.07018	0.4
107.04948	0.7
107.06087	0.2
109.02869	0.2
109.10123	0.2
111.04441	0.2
111.08163	0.1
111.63586	0.2
119.04939	0.2
119.08585	0.2
121.02810	0.2
121.06508	0.4
123.04443	1.0
128.06282	0.2
129.06979	0.2
131.08575	0.2
132.08151	0.2
135.04417	0.4
137.05966	0.2
139.03902	4.6
141.06960	0.2
141.09027	0.2
143.04875	0.2
143.08553	0.2
144.05675	0.2
145.10052	0.2
147.04388	0.4
149.10742	12.1
150.11598	0.7
151.03909	0.9
153.05478	0.3
157.06459	0.2
159.08044	0.4
161.05989	0.5
163.03882	1.0
163.12314	0.4
164.07037	0.3
165.05440	0.3
167.07030	1.2
173.05936	0.4
175.03944	0.2
177.05527	0.6
181.05011	0.4
181.08574	0.2
183.06429	0.2
187.07484	0.3
189.05482	0.4
189.09119	0.2
191.07001	0.3
197.05939	0.2
199.07533	0.2
201.05481	0.2
201.09190	0.2
203.07019	0.8
203.08876	0.2
203.10696	0.4
204.07452	0.3
205.08461	0.2
207.06580	0.2
217.08630	0.5
219.08141	0.2
219.10208	0.4
221.08023	0.2
229.08609	0.2
231.08156	0.3
231.10254	0.5
233.08028	0.3
247.07562	0.2
247.09782	0.3
248.08301	0.2
263.10712	0.2
282.05618	0.2
283.06082	0.2
287.05457	1.4
292.07251	0.2
293.08203	0.3
295.06055	0.6
297.07669	0.4
308.06918	0.2
309.07559	0.3
311.05402	0.4
315.08633	0.4
322.08337	0.2
327.08679	0.4
330.11124	0.5
337.07129	0.4
337.10742	0.2
339.12494	0.2
351.12244	0.3
353.06503	0.5
353.10455	0.3
355.08115	0.2
356.11688	0.2
369.13464	0.8
370.13751	0.2
383.07541	0.3
383.15134	0.8
383.26862	0.6
384.25479	0.6
401.17331	2.3
401.27985	100.0
402.11774	1.4
402.28293	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	401.1808
Annotation	Unknow
Peak:m/z	Relative Intensity
52.74052	1.4
52.86016	1.4
53.03942	5.1
55.01865	6.5
55.05504	6.1
56.96563	1.9
57.03437	4.5
57.07069	3.6
59.04994	3.7
61.02913	3.9
66.32465	1.4
67.05502	8.3
68.99790	5.6
69.03433	25.4
69.07071	14.4
69.57260	5.7
69.57693	5.0
70.06589	3.0
71.04999	17.7
72.08151	2.2
73.02903	3.9
79.05492	10.1
81.03422	19.4
81.07063	19.6
83.04975	5.1
83.08624	5.5
85.02431	2.6
85.02908	32.1
86.09718	3.9
86.40503	1.5
87.00823	15.8
91.05469	12.7
93.07049	14.3
95.04440	1.5
95.04946	8.2
95.08614	11.3
96.04494	100.0
96.27873	1.8
97.02885	16.9
97.06505	2.4
98.21520	1.7
99.04456	8.1
99.08106	2.9
103.03943	10.0
103.05470	2.2
105.01873	6.5
105.07039	14.7
107.04951	6.3
107.08597	11.6
109.02869	11.0
109.06526	43.0
109.10174	19.6
111.04465	3.9
112.99005	2.0
113.09574	1.5
115.03927	4.0
117.07024	5.1
119.08586	13.6
121.06509	13.7
121.10124	5.7
123.04441	9.8
123.08056	5.3
123.11697	4.6
125.13276	2.1
127.03913	12.9
127.11196	8.6
128.74823	1.7
129.01834	4.1
129.07022	3.2
130.07663	2.2
131.08591	8.4
133.06456	2.7
133.10138	5.4
135.04396	3.2
135.08075	5.0
135.11682	6.7
137.05997	2.1
137.09634	7.8
137.13327	1.9
139.03911	53.1
143.08588	5.3
145.04955	5.6
145.06476	3.1
145.10107	9.0
147.02846	3.1
147.04527	2.2
147.08066	6.7
147.11711	2.7
149.09624	4.1
149.13249	2.8
151.03882	5.4
151.07536	3.0
151.11172	5.1
153.05501	2.0
153.12753	4.7
154.07536	2.8
154.08641	36.4
155.08563	2.5
157.06470	2.1
157.10139	2.6
159.02893	4.7
159.08043	5.4
159.11705	6.9
161.05957	2.1
163.03896	7.6
163.07518	1.7
163.11169	3.9
165.12747	6.0
167.07051	7.0
173.09584	10.1
173.13293	2.7
175.07471	2.5
175.11153	2.6
177.12744	13.9
179.10605	2.2
185.09584	1.9
187.07576	2.6
189.03938	3.7
189.12729	3.6
191.06944	1.8
191.10704	5.8
193.12302	4.7
195.13808	18.6
201.09171	3.3
201.12686	2.0
203.10663	7.6
215.14206	2.5
219.13794	5.1
225.12852	1.7
231.04889	4.2
233.15350	3.1
236.95116	1.7
237.14883	6.7
243.13782	9.3
261.14905	13.0
297.17188	2.5
315.08759	2.2
347.14899	4.6
351.12338	3.9
356.08295	2.3
365.16046	3.4
370.81320	1.8
383.15427	6.7
384.25293	3.5
401.13962	5.8
401.18134	5.0
401.28156	9.0
402.13895	5.1
417.82938	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1809
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	0.6
55.01886	0.9
55.05504	0.6
57.03427	0.8
57.07092	0.2
61.02921	0.9
65.03933	0.6
67.05507	1.3
68.99785	0.6
69.03437	3.9
69.07051	0.5
69.57732	0.4
69.58135	0.9
70.06591	1.1
71.04985	0.8
72.08160	25.6
73.02913	0.7
79.05495	1.8
81.03419	3.5
81.07066	4.4
83.01337	0.2
83.04969	0.7
85.02913	5.3
85.06524	0.2
86.09727	0.5
86.66590	0.2
87.00840	2.8
87.04450	0.3
91.05486	1.5
93.07056	2.2
95.01350	0.2
95.04974	1.6
95.08597	1.1
97.02895	5.5
97.03523	0.3
97.06534	0.6
98.21580	0.4
99.04459	1.8
103.03932	0.5
105.01859	2.3
105.07026	2.1
107.04973	0.7
107.08594	2.4
109.02874	1.7
109.06519	2.0
109.10179	0.8
109.82185	0.2
111.04412	0.6
111.08052	0.2
115.03930	0.4
115.05471	0.2
117.01807	0.2
117.07027	0.7
119.04939	0.2
119.08579	3.5
121.02884	2.9
121.06519	0.7
121.10165	1.2
123.04433	3.9
123.08088	0.4
125.06032	0.5
127.03927	3.9
128.06210	0.3
129.01854	0.6
129.07014	0.4
131.08568	0.9
133.06447	0.2
133.10123	0.7
135.04382	0.4
135.08047	0.5
135.11702	1.5
137.05991	0.5
137.09636	0.6
139.03934	1.7
141.05475	0.5
142.07780	0.4
143.08566	0.7
145.04958	2.1
145.10114	1.7
147.02887	0.6
147.04399	0.2
147.08078	0.3
147.11668	0.7
149.05960	0.2
149.09656	0.4
149.10736	0.3
151.03946	0.4
151.07558	1.2
151.11142	0.4
153.05467	2.6
153.10260	0.2
153.12767	0.3
155.08533	0.6
157.10130	1.0
158.09622	0.2
159.02948	1.1
159.04066	0.2
159.08083	0.4
159.10530	0.3
159.11673	1.5
163.03903	2.1
163.11183	0.3
165.10286	1.2
167.07022	0.8
169.10129	0.4
171.07976	0.3
171.11705	0.5
173.09631	0.3
173.13356	0.2
175.03958	0.3
175.11194	0.5
177.12747	0.4
179.07042	0.8
181.05064	0.2
183.11725	0.3
189.03914	0.5
189.12779	0.3
197.08105	0.5
197.13309	0.5
201.12737	0.5
203.10684	0.3
203.17921	0.2
215.14343	0.3
217.08560	0.5
219.10300	0.3
219.13770	0.4
225.12843	0.6
229.04953	0.3
231.05008	0.6
243.13850	1.0
248.08298	0.2
259.08615	0.4
261.14804	0.5
269.08200	0.3
283.08206	0.2
315.08621	0.9
330.10992	0.9
337.20032	0.3
342.20831	0.4
347.14847	0.4
351.12369	0.4
365.15961	0.3
383.10806	0.2
383.14456	1.0
384.25308	0.2
401.28006	100.0
402.28348	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1806
Annotation	Unknow
Peak:m/z	Relative Intensity
51.42862	4.3
53.03932	13.4
55.01862	20.9
55.05499	22.7
57.03411	11.7
57.07063	18.9
59.04988	5.9
59.86866	4.2
60.69205	5.1
61.02920	18.2
65.15464	4.7
67.05503	39.9
68.99780	19.3
69.03434	81.2
69.07064	58.9
69.19370	47.3
70.06578	5.1
71.01384	6.2
71.04991	49.6
72.08152	10.6
73.02906	9.3
79.05494	44.2
81.03422	59.2
81.07065	75.5
83.04958	14.6
83.08610	22.3
85.02433	8.4
85.02906	95.6
85.25826	4.7
86.09715	5.2
87.00834	48.7
91.05476	54.9
93.07047	63.2
95.04968	32.3
95.08615	38.6
97.02895	41.5
97.06551	12.4
99.04435	12.4
99.08092	11.0
103.03925	15.0
103.05454	7.4
103.29716	4.6
105.01843	18.5
105.07045	54.9
107.04948	33.9
107.08609	56.0
109.02898	27.8
109.05798	8.8
109.06517	100.0
109.10168	58.1
111.04431	11.7
112.03985	6.5
115.03920	17.6
115.05473	5.7
117.06989	24.0
119.04931	6.9
119.08587	59.6
121.06511	30.0
121.10138	20.6
123.04420	24.0
123.08068	22.0
123.11697	33.9
125.13280	7.9
127.03911	47.3
127.11111	11.9
128.06177	12.6
129.01811	13.0
129.06995	12.6
131.08595	29.7
133.06480	16.3
133.10095	17.4
135.08020	14.8
135.11720	31.1
137.05966	8.5
137.09604	23.8
137.13249	13.6
139.03897	60.2
139.11157	5.8
143.08554	15.2
144.05702	10.0
145.06447	14.8
145.10103	27.0
147.02919	5.7
147.08061	29.0
147.11693	19.4
151.07542	7.8
151.11174	22.3
153.12772	26.1
155.08589	12.5
156.05676	7.8
156.24327	6.5
157.10139	8.7
159.02861	10.2
159.08029	31.6
159.11647	15.8
161.05981	8.6
161.09618	7.7
161.13292	5.9
163.03920	20.7
163.11166	17.7
165.12834	28.1
167.07031	57.4
171.08038	8.2
172.60638	6.5
173.09680	39.5
173.13251	9.3
175.07497	13.5
175.11147	11.4
177.12764	43.7
179.14252	5.9
181.04968	12.3
187.07486	12.9
189.03931	12.0
189.09010	13.7
189.12733	7.8
191.10655	19.0
191.14293	9.6
193.12225	14.5
195.06581	6.1
195.13763	32.8
197.13184	7.7
201.03899	13.0
205.12262	7.1
207.08188	5.5
207.13756	6.4
208.05193	16.7
215.14339	10.6
217.08626	28.8
219.08173	9.5
219.10130	8.4
219.13792	13.3
221.08078	12.5
229.08850	5.9
231.04994	12.7
233.15276	9.1
237.14835	14.4
243.13792	31.2
247.07571	6.8
247.09784	7.1
248.08344	7.5
261.14905	48.8
263.10657	6.7
269.08102	14.5
271.09622	9.8
275.07269	7.9
279.10022	5.0
279.16061	8.0
282.08624	7.1
283.05893	5.8
291.10016	11.2
293.08148	7.8
295.06274	5.7
305.07980	8.4
307.09433	9.7
308.10391	5.4
310.08182	6.7
315.08569	50.4
319.09546	9.1
321.07745	7.6
323.09088	8.1
323.12619	10.8
325.10718	9.1
330.10992	64.8
331.11557	7.5
339.12378	5.5
339.18555	5.9
343.11713	17.2
347.14880	11.4
351.12177	28.5
365.15747	11.5
368.12222	7.2
369.13272	9.9
383.14685	42.7
401.15839	21.3
401.19376	9.2
401.28000	94.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1806
Annotation	Unknow
Peak:m/z	Relative Intensity
51.42862	4.3
53.03932	13.4
55.01862	20.9
55.05499	22.7
57.03411	11.7
57.07063	18.9
59.04988	5.9
59.86866	4.2
60.69205	5.1
61.02920	18.2
65.15464	4.7
67.05503	39.9
68.99780	19.3
69.03434	81.2
69.07064	58.9
69.19370	47.3
70.06578	5.1
71.01384	6.2
71.04991	49.6
72.08152	10.6
73.02906	9.3
79.05494	44.2
81.03422	59.2
81.07065	75.5
83.04958	14.6
83.08610	22.3
85.02433	8.4
85.02906	95.6
85.25826	4.7
86.09715	5.2
87.00834	48.7
91.05476	54.9
93.07047	63.2
95.04968	32.3
95.08615	38.6
97.02895	41.5
97.06551	12.4
99.04435	12.4
99.08092	11.0
103.03925	15.0
103.05454	7.4
103.29716	4.6
105.01843	18.5
105.07045	54.9
107.04948	33.9
107.08609	56.0
109.02898	27.8
109.05798	8.8
109.06517	100.0
109.10168	58.1
111.04431	11.7
112.03985	6.5
115.03920	17.6
115.05473	5.7
117.06989	24.0
119.04931	6.9
119.08587	59.6
121.06511	30.0
121.10138	20.6
123.04420	24.0
123.08068	22.0
123.11697	33.9
125.13280	7.9
127.03911	47.3
127.11111	11.9
128.06177	12.6
129.01811	13.0
129.06995	12.6
131.08595	29.7
133.06480	16.3
133.10095	17.4
135.08020	14.8
135.11720	31.1
137.05966	8.5
137.09604	23.8
137.13249	13.6
139.03897	60.2
139.11157	5.8
143.08554	15.2
144.05702	10.0
145.06447	14.8
145.10103	27.0
147.02919	5.7
147.08061	29.0
147.11693	19.4
151.07542	7.8
151.11174	22.3
153.12772	26.1
155.08589	12.5
156.05676	7.8
156.24327	6.5
157.10139	8.7
159.02861	10.2
159.08029	31.6
159.11647	15.8
161.05981	8.6
161.09618	7.7
161.13292	5.9
163.03920	20.7
163.11166	17.7
165.12834	28.1
167.07031	57.4
171.08038	8.2
172.60638	6.5
173.09680	39.5
173.13251	9.3
175.07497	13.5
175.11147	11.4
177.12764	43.7
179.14252	5.9
181.04968	12.3
187.07486	12.9
189.03931	12.0
189.09010	13.7
189.12733	7.8
191.10655	19.0
191.14293	9.6
193.12225	14.5
195.06581	6.1
195.13763	32.8
197.13184	7.7
201.03899	13.0
205.12262	7.1
207.08188	5.5
207.13756	6.4
208.05193	16.7
215.14339	10.6
217.08626	28.8
219.08173	9.5
219.10130	8.4
219.13792	13.3
221.08078	12.5
229.08850	5.9
231.04994	12.7
233.15276	9.1
237.14835	14.4
243.13792	31.2
247.07571	6.8
247.09784	7.1
248.08344	7.5
261.14905	48.8
263.10657	6.7
269.08102	14.5
271.09622	9.8
275.07269	7.9
279.10022	5.0
279.16061	8.0
282.08624	7.1
283.05893	5.8
291.10016	11.2
293.08148	7.8
295.06274	5.7
305.07980	8.4
307.09433	9.7
308.10391	5.4
310.08182	6.7
315.08569	50.4
319.09546	9.1
321.07745	7.6
323.09088	8.1
323.12619	10.8
325.10718	9.1
330.10992	64.8
331.11557	7.5
339.12378	5.5
339.18555	5.9
343.11713	17.2
347.14880	11.4
351.12177	28.5
365.15747	11.5
368.12222	7.2
369.13272	9.9
383.14685	42.7
401.15839	21.3
401.19376	9.2
401.28000	94.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1078
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	1.3
55.01863	1.1
55.05487	0.7
57.03423	1.0
57.84301	0.4
61.02911	1.1
65.03938	1.1
67.24915	0.4
68.99796	0.7
69.03426	6.0
69.90725	1.9
70.06590	1.1
71.04980	1.2
72.08156	15.8
73.02906	1.5
76.70023	0.4
79.05491	0.8
81.03418	5.9
81.07059	0.7
85.02907	13.7
86.09696	1.1
87.00835	6.2
91.05472	0.6
93.07037	0.7
97.02892	16.5
97.03524	1.0
99.04450	1.8
103.98235	0.5
105.01872	5.8
105.07022	0.6
107.05024	0.6
109.02885	4.2
109.10143	0.7
117.01843	0.7
120.08112	0.5
121.02866	9.1
123.04406	1.3
127.03925	10.4
131.08603	0.6
134.09636	0.8
135.04434	0.6
135.15901	0.4
139.03893	2.7
145.02870	0.6
145.04956	6.6
146.06079	0.6
149.10748	5.5
151.03903	0.5
153.05476	7.9
159.02917	2.0
163.03943	4.6
165.10217	1.1
167.07068	1.3
170.06073	0.5
173.06029	0.6
177.05556	0.6
222.23210	0.4
229.04979	1.5
231.05005	1.0
233.08043	0.5
259.08786	0.5
265.08899	0.5
269.13528	0.8
283.87384	0.5
330.10986	1.1
383.15088	0.8
384.25433	0.6
401.14917	2.3
401.19330	2.5
401.27991	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	400.2182
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.5
55.01868	6.5
57.03439	14.7
59.05008	2.4
61.02938	11.2
69.03437	40.2
70.03786	2.1
70.04179	3.1
70.06599	4.0
71.01354	2.1
71.04992	2.9
73.02927	60.2
81.03424	8.2
83.04985	1.3
83.06110	2.7
85.02914	100.0
86.09660	1.4
87.04481	13.0
91.03950	5.5
91.05473	2.8
95.06122	1.7
97.02900	70.5
99.04484	4.0
103.03924	4.9
107.04883	1.4
109.02889	9.6
110.07179	4.4
111.04464	1.4
115.03945	37.2
117.03388	1.9
123.04417	2.8
124.03941	1.8
127.03930	31.5
133.04980	55.8
135.04431	2.0
136.08737	12.1
137.05956	3.0
139.03920	16.2
140.55238	1.5
145.02890	4.2
145.04976	57.1
147.04385	2.7
150.07655	3.4
157.05049	1.6
162.03313	1.5
163.03983	2.1
163.06041	28.8
165.05473	1.8
177.05482	14.2
182.09268	5.0
185.11707	1.9
193.04959	1.7
199.06091	1.9
203.07050	6.3
203.10675	2.0
215.08315	1.7
217.07076	2.1
221.08151	2.6
223.06047	5.4
238.10509	3.1
238.12030	1.6
241.07079	6.7
251.14841	6.4
259.08170	11.2
265.76041	1.4
274.73920	1.3
277.09250	3.3
295.10242	5.8
336.19092	1.7
369.13361	1.5
400.16602	21.5
400.21082	5.6
400.25293	1.9
401.13513	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	400.1601
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04999	3.0
64.13854	1.3
69.03442	2.1
70.06603	2.8
72.08154	2.1
79.05486	1.5
85.02909	2.9
86.06039	1.2
89.03933	3.7
97.02903	5.5
98.20733	4.0
117.03386	3.1
119.58933	1.4
120.08121	1.5
124.03958	1.9
135.04405	8.5
139.03902	2.6
145.02831	7.7
150.06590	1.5
163.03905	100.0
174.12813	2.0
176.67015	1.3
199.03568	1.3
207.08786	2.1
238.14375	3.1
277.36252	1.3
277.39240	1.4
315.10358	1.5
355.10184	1.5
357.11548	3.5
400.10818	3.4
401.10373	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	400.1024
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	0.9
55.01863	0.9
55.05492	0.9
57.03438	0.7
60.13483	0.5
67.05489	0.7
68.99793	0.7
69.03452	0.8
70.06593	1.1
70.62971	1.3
70.63340	1.4
71.08615	0.9
72.08136	1.2
79.01859	1.5
79.05480	1.1
81.03392	1.8
81.07041	1.0
83.08628	0.7
91.05482	3.9
95.04964	1.5
97.02882	5.2
97.06573	0.6
99.37944	0.6
105.03378	0.9
105.07014	0.8
107.08611	1.2
109.10152	0.7
119.04964	4.9
122.06086	0.7
123.04436	42.3
124.03959	0.8
124.08703	0.7
131.04945	0.9
133.02834	1.1
135.04434	1.3
137.05975	0.9
139.03859	0.7
147.03232	1.2
147.04411	22.9
149.05975	0.6
151.03894	1.1
161.06084	0.8
163.03955	0.8
165.05478	6.4
175.03899	14.1
175.05318	1.0
177.05519	0.9
178.05008	3.2
187.03943	1.5
189.05522	1.3
191.03395	2.2
203.03400	100.0
204.03886	1.2
205.04996	1.1
215.03407	17.8
217.05005	2.6
220.06035	10.1
221.04416	1.9
222.11238	0.8
231.02888	24.3
233.04491	2.2
243.02934	6.0
245.04439	3.6
248.05551	33.9
260.05582	5.4
262.07095	0.9
291.06381	0.7
337.07111	9.8
348.61588	0.8
355.08142	34.6
365.06824	0.7
370.22455	0.6
382.09241	1.0
383.07758	1.3
383.15277	0.8
399.25909	0.7
400.10205	5.7
400.26419	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	400.1024
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	0.9
55.01863	0.9
55.05492	0.9
57.03438	0.7
60.13483	0.5
67.05489	0.7
68.99793	0.7
69.03452	0.8
70.06593	1.1
70.62971	1.3
70.63340	1.4
71.08615	0.9
72.08136	1.2
79.01859	1.5
79.05480	1.1
81.03392	1.8
81.07041	1.0
83.08628	0.7
91.05482	3.9
95.04964	1.5
97.02882	5.2
97.06573	0.6
99.37944	0.6
105.03378	0.9
105.07014	0.8
107.08611	1.2
109.10152	0.7
119.04964	4.9
122.06086	0.7
123.04436	42.3
124.03959	0.8
124.08703	0.7
131.04945	0.9
133.02834	1.1
135.04434	1.3
137.05975	0.9
139.03859	0.7
147.03232	1.2
147.04411	22.9
149.05975	0.6
151.03894	1.1
161.06084	0.8
163.03955	0.8
165.05478	6.4
175.03899	14.1
175.05318	1.0
177.05519	0.9
178.05008	3.2
187.03943	1.5
189.05522	1.3
191.03395	2.2
203.03400	100.0
204.03886	1.2
205.04996	1.1
215.03407	17.8
217.05005	2.6
220.06035	10.1
221.04416	1.9
222.11238	0.8
231.02888	24.3
233.04491	2.2
243.02934	6.0
245.04439	3.6
248.05551	33.9
260.05582	5.4
262.07095	0.9
291.06381	0.7
337.07111	9.8
348.61588	0.8
355.08142	34.6
365.06824	0.7
370.22455	0.6
382.09241	1.0
383.07758	1.3
383.15277	0.8
399.25909	0.7
400.10205	5.7
400.26419	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.2381
Annotation	Unknow
Peak:m/z	Relative Intensity
51.45714	3.4
53.03945	4.8
55.01880	4.2
55.05502	8.8
56.14009	3.7
57.03428	5.8
57.07070	3.3
59.04985	4.0
61.02918	9.6
64.54987	3.2
67.05509	19.7
69.03439	18.6
69.07063	11.3
70.06575	5.4
70.12109	15.6
71.04982	16.5
71.08552	4.3
72.08151	15.4
73.13335	3.1
75.17146	3.2
79.05513	18.4
81.03413	12.2
81.07068	67.6
83.04960	9.5
83.08629	5.0
85.02905	34.1
85.06570	4.0
91.03945	6.2
91.05488	24.4
93.07041	44.3
93.72376	3.6
95.04952	11.2
95.08589	27.8
97.02896	100.0
97.06548	17.7
97.10130	4.4
99.04466	5.3
99.08086	8.0
105.07032	57.7
107.05002	6.2
107.08617	31.6
109.02879	3.9
109.06537	5.2
109.10165	31.5
111.04438	5.8
111.08112	5.6
117.06985	5.0
119.04964	5.5
119.08560	34.8
121.06501	4.9
121.10149	25.9
123.04398	7.8
123.08076	4.3
123.11722	18.5
124.03951	5.5
125.05957	4.9
125.09629	21.9
127.03912	12.8
127.07568	10.0
127.11166	6.1
130.04990	4.6
131.08553	9.9
133.10144	53.7
135.07999	5.1
135.11739	9.8
136.06198	4.6
137.09612	6.2
139.03905	8.6
143.08653	4.3
143.10712	19.5
145.04944	5.7
145.10124	16.5
147.04445	6.2
147.07794	3.9
147.11690	41.1
151.03917	12.9
151.11191	8.2
153.05429	8.6
157.10126	6.4
159.11720	16.2
161.13303	8.5
163.03864	3.7
167.10652	5.1
171.05211	4.2
171.11629	4.9
175.07484	5.9
175.11098	6.3
177.77768	3.4
201.16412	15.6
201.54422	3.6
203.17963	8.1
207.06601	4.0
219.17395	23.6
220.06010	9.9
229.15756	4.3
237.18542	7.1
278.11191	4.5
357.13641	4.8
379.13846	8.6
381.12872	4.2
392.23526	3.8
398.46619	3.5
399.26862	44.0
418.71152	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	399.2381
Annotation	Unknow
Peak:m/z	Relative Intensity
51.45714	3.4
53.03945	4.8
55.01880	4.2
55.05502	8.8
56.14009	3.7
57.03428	5.8
57.07070	3.3
59.04985	4.0
61.02918	9.6
64.54987	3.2
67.05509	19.7
69.03439	18.6
69.07063	11.3
70.06575	5.4
70.12109	15.6
71.04982	16.5
71.08552	4.3
72.08151	15.4
73.13335	3.1
75.17146	3.2
79.05513	18.4
81.03413	12.2
81.07068	67.6
83.04960	9.5
83.08629	5.0
85.02905	34.1
85.06570	4.0
91.03945	6.2
91.05488	24.4
93.07041	44.3
93.72376	3.6
95.04952	11.2
95.08589	27.8
97.02896	100.0
97.06548	17.7
97.10130	4.4
99.04466	5.3
99.08086	8.0
105.07032	57.7
107.05002	6.2
107.08617	31.6
109.02879	3.9
109.06537	5.2
109.10165	31.5
111.04438	5.8
111.08112	5.6
117.06985	5.0
119.04964	5.5
119.08560	34.8
121.06501	4.9
121.10149	25.9
123.04398	7.8
123.08076	4.3
123.11722	18.5
124.03951	5.5
125.05957	4.9
125.09629	21.9
127.03912	12.8
127.07568	10.0
127.11166	6.1
130.04990	4.6
131.08553	9.9
133.10144	53.7
135.07999	5.1
135.11739	9.8
136.06198	4.6
137.09612	6.2
139.03905	8.6
143.08653	4.3
143.10712	19.5
145.04944	5.7
145.10124	16.5
147.04445	6.2
147.07794	3.9
147.11690	41.1
151.03917	12.9
151.11191	8.2
153.05429	8.6
157.10126	6.4
159.11720	16.2
161.13303	8.5
163.03864	3.7
167.10652	5.1
171.05211	4.2
171.11629	4.9
175.07484	5.9
175.11098	6.3
177.77768	3.4
201.16412	15.6
201.54422	3.6
203.17963	8.1
207.06601	4.0
219.17395	23.6
220.06010	9.9
229.15756	4.3
237.18542	7.1
278.11191	4.5
357.13641	4.8
379.13846	8.6
381.12872	4.2
392.23526	3.8
398.46619	3.5
399.26862	44.0
418.71152	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	398.2692
Annotation	3,4-Dihydroxy-2-methy-4-[(2E,6E)-farnesyl]-3,4-dihydroquinoline 1-oxide
Peak:m/z	Relative Intensity
53.03949	0.7
55.01867	0.5
55.05516	2.7
56.96561	1.4
57.03428	0.8
57.07065	1.3
58.55177	0.4
59.04996	0.5
61.02928	0.7
63.52028	0.4
64.73363	0.4
67.05513	4.1
68.05034	3.2
69.03426	1.6
69.07071	2.1
70.06594	14.8
71.04961	0.7
71.05294	0.8
73.02912	0.6
79.05498	4.9
80.05022	0.9
81.03431	0.6
81.07056	6.1
83.04950	0.6
83.08607	1.3
84.08138	0.4
85.02887	0.9
85.06538	0.9
90.33547	0.4
91.03943	0.6
91.05480	7.6
93.07047	8.9
94.06563	1.5
95.04982	5.5
95.08607	4.2
96.08127	2.9
96.92130	0.4
97.02893	1.7
97.06528	0.5
98.06028	0.9
98.97592	1.4
100.07613	4.4
102.64146	0.4
103.05477	1.3
104.89853	0.5
105.07036	12.3
106.06514	0.6
107.07294	0.6
107.08591	5.8
108.08129	2.4
109.06525	0.5
109.10152	3.2
112.07612	0.4
114.05537	5.4
115.05460	0.9
116.06341	0.8
116.07089	6.1
116.45173	0.4
117.07001	4.7
118.06516	0.4
119.08588	18.3
120.08117	3.4
121.06551	0.7
121.10139	4.1
122.09669	2.8
123.10459	0.6
123.11655	0.6
128.06218	1.0
128.07071	5.7
129.07042	2.7
130.07788	1.2
131.08568	8.0
133.09059	0.7
133.10130	6.3
134.09631	1.6
135.08041	1.5
135.11690	1.7
136.11191	1.4
141.06967	1.1
142.07726	0.7
142.08701	0.5
143.08560	5.0
144.09348	1.4
145.10120	12.8
146.09679	1.1
147.08113	0.5
147.10590	0.7
147.11665	3.8
148.11189	5.6
148.12292	0.5
149.01277	0.4
149.09645	0.6
149.12004	0.4
150.12746	0.6
150.57744	0.4
151.06285	1.2
152.07031	0.7
154.08704	2.2
155.08559	2.0
156.09410	0.8
157.10138	5.6
158.09703	0.6
158.10896	0.9
159.11708	2.6
160.11224	1.6
161.09660	1.0
161.13278	1.1
163.14801	0.6
164.07069	0.8
166.08665	1.2
167.08673	1.0
168.10237	23.8
169.10167	2.0
171.11661	2.3
173.11906	0.7
173.13246	4.2
174.12718	0.6
175.14856	2.8
178.08636	6.7
179.08461	0.7
181.10152	1.2
183.11685	3.2
184.12555	0.9
185.13280	2.4
187.14850	1.2
188.14372	0.5
191.14290	1.3
192.03712	0.5
192.10207	2.5
194.11816	9.9
195.11729	1.5
196.12520	0.7
197.13264	2.2
199.14861	1.3
200.14168	0.6
206.11839	1.1
208.13242	0.5
209.13319	2.8
210.14032	0.6
211.14824	0.7
212.14249	0.7
223.14879	1.0
225.59036	0.4
229.07520	1.0
230.07962	0.5
230.11746	0.5
232.13428	0.9
234.14868	1.4
235.14861	0.6
239.18202	0.6
241.07468	0.7
243.09108	0.8
244.13422	0.7
246.14967	0.5
247.08609	1.1
251.08577	0.8
253.15871	0.7
257.10846	0.5
258.14865	1.1
259.15845	0.6
260.16498	8.8
261.10211	0.8
265.19473	1.1
267.21176	0.7
283.08450	0.5
283.20590	0.5
288.19550	0.6
301.09494	0.6
306.20724	3.2
307.14822	0.7
307.58902	0.5
337.14059	0.5
353.19183	0.5
380.25845	15.5
398.26907	100.0
399.27106	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	398.2025
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96564	1.8
57.03428	3.4
57.07075	6.1
59.35592	1.3
64.78657	1.0
67.05508	6.7
69.03431	3.1
69.07079	7.6
69.88773	1.2
70.06578	2.9
71.08607	2.4
71.53014	1.7
72.08140	4.9
73.02896	4.1
79.05494	2.7
81.03436	1.4
81.07031	1.9
84.04486	1.6
85.02515	1.3
85.02914	14.5
85.10185	33.3
91.03952	1.8
91.05453	3.6
93.07058	3.1
95.01341	7.2
95.04956	2.1
95.08611	100.0
97.02884	2.6
97.06541	5.6
98.09692	1.6
98.97606	1.4
99.04480	1.4
107.08621	1.3
109.10184	1.5
111.04416	2.3
113.02348	3.6
113.09650	74.3
121.06484	1.8
123.04413	7.7
131.03391	1.7
131.10660	3.3
135.11710	2.0
139.03929	10.2
141.01819	20.0
141.23940	1.1
143.01837	1.2
159.02928	1.3
163.03935	1.7
181.04933	4.4
187.13303	79.3
203.03323	1.5
205.14362	79.0
209.65895	1.4
217.08592	2.2
219.17464	4.7
224.08188	1.8
246.04778	3.2
259.09732	3.8
271.11877	1.3
277.10818	10.7
377.13770	1.8
380.11401	1.8
390.29712	1.3
398.22647	1.5
399.19833	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	398.2022
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	3.5
57.03440	25.7
59.04989	3.8
60.59433	2.5
61.02917	4.2
62.83877	2.6
65.38147	2.5
67.03712	2.3
69.03430	76.4
69.07054	15.0
69.78390	8.1
69.78796	6.6
73.02911	6.7
73.03323	2.3
81.03437	4.0
81.07063	6.9
85.02909	75.1
87.04473	49.9
91.03954	3.7
93.07036	8.6
97.02890	60.3
97.06561	3.5
107.08613	3.1
109.02876	4.5
109.06512	3.8
111.04394	3.1
111.08081	15.1
113.73477	2.5
115.03936	80.6
117.06966	3.3
121.06463	3.4
127.03919	14.0
133.04967	100.0
145.04967	26.7
147.08136	3.5
150.07619	9.1
153.09151	4.5
155.46469	2.4
160.04408	3.2
163.06012	21.3
165.09132	9.6
171.69368	2.8
183.10210	8.3
195.10109	5.2
201.11203	8.1
213.11278	4.2
219.12350	6.0
241.07150	5.0
248.43860	2.5
259.07999	5.1
277.09073	6.5
295.10364	5.5
351.62332	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	397.3829
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	11.0
57.07085	13.2
67.05502	16.5
69.07071	22.3
71.08650	10.1
79.05502	12.0
81.07051	39.5
83.08610	10.7
85.10196	10.6
91.05476	11.2
93.07037	19.4
95.08602	31.7
97.10176	11.2
103.96846	2.3
105.07033	20.3
107.08604	19.7
109.10154	31.8
111.11707	8.2
119.08580	17.4
119.91039	2.1
121.10136	14.4
123.11713	11.7
133.10104	16.9
135.11690	24.0
137.13258	5.3
147.11681	48.7
149.13257	13.9
151.14902	3.3
159.11700	4.1
161.13251	33.1
163.14854	7.8
175.14873	14.5
177.16371	2.5
187.14914	3.7
189.16393	7.5
201.16345	4.3
203.17928	5.7
215.17963	6.4
217.19507	5.2
229.19489	4.8
243.21152	5.1
257.22705	9.5
261.25818	4.2
275.27390	3.2
287.27295	4.2
301.28610	2.2
315.30533	5.5
372.35315	2.2
397.38306	100.0
398.38879	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	397.3101
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	7.4
56.96561	3.5
67.05508	13.4
68.85384	1.4
69.03435	1.7
69.07077	14.7
71.04981	2.3
71.06839	2.9
79.05495	12.0
80.91795	1.4
81.07052	34.6
83.08620	5.8
85.02891	2.1
86.09702	2.7
91.05471	10.4
93.07036	33.0
95.04935	2.9
95.08607	31.5
97.10181	1.7
98.97585	1.4
105.07036	29.3
107.08591	37.5
109.06510	2.3
109.10152	11.4
117.07015	2.0
119.08579	31.4
119.09380	2.8
121.10141	22.3
123.08054	1.5
123.11718	3.3
131.08556	5.0
133.10132	20.9
135.11700	9.9
137.09589	2.1
145.10077	6.7
145.44362	1.3
146.87363	1.3
147.11690	17.1
149.09740	2.1
149.13260	100.0
153.09082	2.0
159.11702	7.2
161.13248	62.9
163.11118	1.8
163.14813	31.7
167.10539	1.9
171.11644	2.6
173.13280	4.7
175.14827	18.6
177.16373	4.7
184.07372	2.8
187.14821	4.1
189.16386	24.8
191.17941	3.9
191.45662	1.5
201.16382	13.4
203.17982	18.7
203.69513	1.5
207.17580	1.3
215.17998	4.8
219.17406	2.0
227.17967	2.7
229.15919	1.5
235.16988	5.0
241.19618	1.9
243.21019	1.7
247.16904	7.9
249.18498	2.9
261.18594	2.3
273.18387	1.8
275.19815	1.8
287.20038	1.7
293.07260	1.6
301.09470	1.4
331.93860	1.3
351.30530	13.8
353.24799	1.4
356.20648	1.4
397.18515	2.5
397.26801	5.4
397.31229	30.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.2043
Annotation	3beta-Hydroxypregn-5-en-20-one sulfate
Peak:m/z	Relative Intensity
53.03944	0.9
55.01867	2.2
55.05501	3.6
56.96552	2.3
59.50665	0.8
61.02895	1.1
62.75715	0.7
67.05506	11.2
69.03433	1.2
69.07072	5.7
71.04981	1.3
71.52946	0.9
79.05501	11.7
80.90052	0.7
81.03407	1.1
81.07060	18.6
83.04987	7.0
83.08604	2.1
84.96014	0.8
85.02908	1.8
85.06563	0.9
86.06077	1.1
91.05495	7.4
93.07040	10.5
95.04966	2.3
95.08610	10.6
97.06537	100.0
97.10152	1.6
98.97552	0.9
105.07019	7.0
107.04939	1.5
107.08586	9.0
109.06523	96.2
109.10158	11.2
110.91163	0.8
111.08035	1.1
117.07001	1.7
118.09309	0.9
119.08583	8.0
121.06523	2.6
121.10138	11.7
123.08061	8.3
123.11716	5.1
131.08592	3.4
133.10126	8.4
135.04393	0.8
135.08127	0.9
135.11671	7.8
136.50844	0.7
137.09630	1.2
139.03915	3.2
143.08574	2.1
145.10199	4.1
145.11121	1.0
147.11717	4.6
149.09636	1.0
149.13287	4.8
157.10155	2.3
159.11702	3.7
161.13260	2.3
163.03932	2.0
163.11176	2.0
169.10182	1.5
171.11725	2.3
173.13309	2.6
175.14867	2.0
177.12752	3.4
177.16504	1.5
183.11743	2.2
185.13303	2.4
187.14786	1.4
191.03476	4.1
191.14325	1.5
191.17963	2.7
199.14783	1.6
201.16493	1.3
203.14409	1.1
203.17963	8.8
211.14839	1.9
215.17995	1.9
217.19504	2.2
225.16399	1.8
229.07536	1.0
229.15863	1.6
241.19368	0.9
253.19489	1.1
281.08481	3.5
281.22672	10.9
299.09451	1.0
299.23706	52.9
317.24820	2.7
347.07724	0.8
352.60559	0.8
397.20499	83.5
397.25592	3.0
398.20694	1.5
403.11862	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	396.3321
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	3.6
55.99212	1.8
56.96557	4.9
57.07076	56.3
59.04993	15.1
67.05504	5.0
69.07062	5.0
71.08634	100.0
71.53448	2.1
79.05492	3.5
81.07058	7.3
85.10184	56.8
86.09689	2.6
89.06038	48.5
91.05466	2.9
93.07063	5.0
95.04966	2.5
95.08598	5.4
97.02927	2.7
103.07523	2.3
105.06988	2.6
123.40678	2.1
127.14820	8.8
130.08676	2.0
133.08617	20.9
146.10489	2.1
177.11227	25.1
184.07329	5.1
185.19005	12.7
195.12285	17.5
207.12181	2.2
223.09886	2.0
232.09782	2.2
235.15431	5.2
236.44455	2.0
239.14867	15.1
262.52301	2.1
281.10547	2.5
345.86179	2.0
347.15579	3.5
365.16238	2.7
366.16403	2.2
379.30576	18.5
384.11441	2.5
396.31607	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	395.2945
Annotation	Sargaol
Peak:m/z	Relative Intensity
53.03936	1.4
55.05515	5.8
56.96558	1.3
57.03418	0.6
57.07068	1.0
61.02914	0.7
61.17395	0.6
65.03955	0.7
67.05178	0.8
67.05510	10.3
69.07074	6.7
69.56725	0.6
70.56853	1.1
70.57247	1.2
72.95943	0.7
73.46480	0.5
79.05061	1.0
79.05500	13.6
81.03440	0.7
81.06587	1.3
81.07060	26.9
83.04993	1.0
83.08645	2.9
85.02901	1.7
90.12917	0.5
91.05476	12.5
93.07050	28.1
95.04976	1.4
95.08609	19.3
97.10169	0.9
105.04495	0.9
105.07036	30.3
107.08601	29.4
109.06535	1.1
109.10166	9.1
115.05424	0.8
117.07034	4.6
119.08588	25.6
121.09333	1.3
121.10156	19.3
121.11034	1.0
123.08031	1.6
123.11694	5.1
129.07005	2.6
130.07751	0.8
131.08571	13.3
133.10133	47.1
135.11688	20.9
137.09662	1.1
137.13239	0.7
139.07518	0.7
141.06981	0.8
142.07751	0.8
143.08557	6.3
144.09326	2.2
145.10133	16.3
147.11691	21.6
149.13271	11.4
151.07523	0.9
153.09131	0.7
155.08571	2.0
156.09207	0.8
157.10138	6.2
159.11699	29.6
161.13263	37.4
163.11240	0.9
163.14867	4.1
166.02332	0.6
169.10109	2.4
171.11656	6.7
173.13263	19.1
175.14828	16.6
177.16438	2.2
179.10637	0.8
179.14243	0.8
181.10086	1.0
183.11658	4.1
185.13284	3.7
187.14845	10.0
189.16380	14.2
191.17923	1.6
195.11691	1.3
197.13266	3.8
199.14821	5.7
201.16399	19.3
203.17970	4.7
205.12077	0.7
207.13852	0.6
209.13271	1.7
211.14816	2.4
213.16386	11.4
215.17964	8.2
217.12106	0.7
217.15791	0.8
217.19484	0.8
221.15376	1.0
223.14819	1.3
225.16330	5.4
227.17993	8.2
229.19510	1.7
233.15262	1.0
235.16870	0.9
237.16489	1.0
239.18022	4.2
239.20145	0.6
241.19513	5.4
243.17419	0.7
243.21082	0.8
247.16954	3.9
249.18585	0.8
251.17931	0.7
253.19472	9.4
255.21043	2.9
257.15363	0.7
259.16916	3.7
261.18469	5.0
265.19641	1.6
267.21112	4.2
267.23529	0.8
269.22696	2.1
271.16910	1.9
273.18472	4.0
279.21078	2.6
281.17361	0.6
285.18500	2.8
287.20084	3.0
293.22656	1.9
299.20062	8.2
301.21545	1.6
307.24283	1.2
313.21658	2.4
315.23199	1.8
320.25040	0.9
325.21548	2.0
327.22784	0.8
339.23291	1.0
344.52734	0.7
347.15359	2.4
349.28894	34.8
350.28867	0.7
353.24738	1.3
365.16312	2.6
366.25851	0.8
367.29889	0.8
377.28439	2.2
395.15088	1.8
395.29431	100.0
396.29703	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.075
Annotation	Unknow
Peak:m/z	Relative Intensity
51.16936	1.9
54.41752	1.9
56.96560	16.0
57.03340	1.8
59.06168	1.9
59.83535	1.8
61.10975	1.9
69.07040	2.6
70.06584	5.2
71.53053	3.1
72.23196	2.0
79.75565	1.8
81.03403	2.6
81.07077	2.6
84.96017	6.1
91.05481	11.9
97.96802	2.9
98.97583	53.9
107.04837	2.1
110.97571	16.0
111.11726	2.5
112.99146	4.4
115.97882	2.9
116.98643	12.9
123.04495	2.1
123.56944	2.1
127.51359	2.2
128.98590	12.0
131.00143	4.5
131.08565	1.8
134.99631	3.0
136.55693	2.0
140.98645	4.2
143.00142	5.0
146.99684	3.1
152.98604	5.5
158.99704	11.2
161.01231	3.1
163.03841	2.8
165.02281	3.4
170.99661	5.9
177.00726	7.7
189.00739	3.5
201.00768	4.0
203.07048	2.9
207.03357	18.1
219.01744	22.3
225.04277	4.9
228.06458	2.9
237.02826	29.9
275.29080	2.2
309.06467	36.4
311.06577	2.3
327.07516	100.0
327.11453	4.7
350.09155	4.4
351.07730	5.8
369.08630	11.2
395.07336	39.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	394.1433
Annotation	Unknow
Peak:m/z	Relative Intensity
51.06984	1.3
51.07619	1.3
56.96569	2.3
58.99589	7.1
59.55662	1.3
60.14463	1.2
61.01144	2.2
61.73672	1.6
67.05502	2.6
69.07085	2.3
70.06590	11.3
71.53075	2.1
72.64883	1.3
76.02234	6.1
79.00845	1.4
79.05504	2.3
81.07047	1.4
84.04519	6.7
86.99068	3.6
88.03992	2.0
91.50542	1.3
94.06545	1.5
96.04520	2.4
97.02893	2.3
100.02205	12.3
105.00093	3.2
105.06992	2.3
110.07152	4.8
116.07057	1.9
120.08099	3.4
122.06050	3.5
134.06049	1.7
136.07599	2.9
138.05534	2.1
140.07118	2.9
146.02698	14.9
146.06020	2.2
147.04381	1.9
163.03854	2.6
167.07224	2.8
172.07663	1.8
176.09383	2.8
177.00616	1.5
182.09677	1.7
184.11241	2.4
186.09151	4.9
188.03793	4.3
189.10246	20.1
196.07639	1.8
197.08476	2.9
199.12257	2.6
200.10701	4.2
201.12486	1.8
202.10733	4.8
204.06480	1.9
210.09109	12.9
211.08641	3.5
212.09172	11.2
212.11185	2.4
213.10239	3.1
214.08665	6.2
214.10732	1.5
215.08243	4.5
216.09042	2.5
216.17641	1.6
224.07303	1.7
225.06625	1.8
225.10172	2.4
226.11075	3.1
227.08224	4.4
227.11768	15.6
228.10258	4.4
231.11285	6.0
238.08702	10.6
239.08096	12.1
240.08884	18.6
241.09573	3.4
242.10487	11.4
243.10100	2.7
245.12625	1.4
253.09773	3.2
254.10548	2.6
255.11276	51.7
256.10995	16.3
257.12964	10.3
258.10025	5.3
270.12430	2.6
271.13174	19.5
273.12317	15.9
274.10547	1.8
280.12360	1.9
304.14868	1.6
324.27570	1.8
332.14130	2.4
333.64621	1.5
345.14273	2.1
355.21875	1.5
359.10583	6.1
376.13257	100.0
377.11569	16.7
394.20520	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	393.279
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	6.1
53.69836	3.0
55.05509	16.8
57.07069	8.5
61.12146	2.5
64.00126	2.1
65.03936	4.5
67.05513	33.5
69.07071	18.5
69.32166	2.4
71.04971	2.7
79.05499	39.7
81.06593	4.4
81.07062	67.7
83.04983	2.5
83.08624	7.9
85.06521	4.6
86.43340	2.6
91.05490	56.3
93.07050	75.6
93.07632	4.1
95.04973	50.0
95.08611	54.6
97.06519	11.2
98.98466	5.1
103.05466	3.4
105.04511	3.7
105.07038	100.0
107.08602	48.2
109.06529	12.5
109.10171	28.8
115.05477	5.2
117.07029	24.2
119.04948	2.7
119.08594	95.4
121.06538	22.8
121.10155	50.7
123.08083	5.4
123.11692	10.7
128.06223	10.4
129.07018	15.9
130.07811	6.7
131.08577	49.0
133.10153	46.1
135.08055	6.1
135.11720	21.4
141.06970	7.3
142.07800	19.7
143.08568	32.6
144.09312	11.4
145.06519	3.9
145.10127	69.6
147.08026	4.1
147.11691	25.8
149.13226	4.6
153.07004	4.1
155.01051	3.6
155.08516	10.6
156.09343	8.0
157.10138	43.6
158.10902	7.7
159.08049	6.5
159.11711	42.8
161.09615	17.7
161.13271	6.7
163.11035	2.9
165.07082	3.5
167.08537	7.3
168.09311	3.5
169.10138	22.8
170.10902	4.1
171.11688	20.8
172.12518	3.8
173.13306	20.0
175.11209	9.8
175.14896	16.1
179.08575	7.0
181.10117	12.4
182.10881	5.0
183.11752	14.5
185.09647	3.1
185.13261	11.4
187.11156	8.5
187.14865	12.7
188.13005	2.7
189.12817	4.1
195.11707	9.0
196.12456	3.8
197.13245	13.3
199.11168	4.0
199.14798	6.8
201.16438	6.4
206.10872	3.3
207.11769	3.7
209.13246	11.0
211.11319	2.7
211.14816	10.8
213.16312	5.5
219.17445	4.7
221.13242	5.7
223.14833	9.3
224.15387	2.7
225.16483	4.4
227.14215	4.7
235.14839	7.5
237.16522	2.9
239.14381	3.1
241.19380	2.8
253.15874	8.0
265.19531	4.7
266.20218	3.3
304.26511	4.9
347.27441	2.6
375.26657	5.8
393.27814	10.0
411.81918	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	393.2612
Annotation	Unknow
Peak:m/z	Relative Intensity
54.18670	0.4
56.96566	3.8
68.73473	0.4
71.95246	0.7
81.07056	1.2
83.13310	0.5
84.96049	0.5
91.05521	0.5
93.07062	0.6
95.08610	1.3
98.20631	1.0
98.97588	0.5
105.06953	0.7
110.97603	1.6
119.08585	0.8
121.10201	0.6
128.98616	1.5
143.00204	0.5
145.10170	0.6
149.02313	0.5
149.13417	0.5
155.96350	0.5
185.04724	0.6
197.01262	0.6
213.08018	0.6
215.02325	0.5
217.07298	0.6
218.07768	0.7
227.05923	0.8
229.25340	0.6
230.07956	0.6
231.09181	0.7
240.06534	0.5
241.07166	0.6
247.08304	0.6
257.07004	1.4
258.07602	3.0
259.08203	1.5
276.08737	0.7
333.17325	0.9
334.17682	2.9
351.18509	2.8
352.18777	12.1
357.20047	0.8
369.19516	2.8
370.19818	17.8
375.20413	1.2
376.25598	0.6
388.21002	1.1
392.21008	1.1
393.21698	5.2
393.26117	100.0
394.26483	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.2786
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	2.0
55.05513	6.5
60.90182	0.8
65.03954	0.9
67.05508	8.6
69.07072	5.9
69.51331	5.6
79.05087	1.2
79.05498	16.1
79.05932	0.8
81.06608	1.7
81.07059	30.9
81.13647	0.7
83.08616	4.5
89.58141	0.8
91.05486	13.2
93.06500	1.7
93.07047	30.6
95.04946	2.4
95.08610	22.9
97.10131	1.0
99.96497	1.0
103.84387	0.8
105.07036	21.7
107.08597	42.5
109.06524	1.4
109.10163	10.2
117.07013	5.9
119.08587	33.1
121.10142	21.2
123.11675	5.0
128.06203	2.0
129.07018	4.8
130.07750	1.4
131.08578	17.0
133.10133	17.9
135.10713	1.2
135.11694	19.9
141.07002	1.4
142.07765	3.3
143.08560	10.6
144.09312	2.8
145.10121	22.8
147.11696	19.4
149.13268	7.3
153.09074	1.4
155.08546	4.7
156.09360	2.2
157.10126	13.8
158.10895	1.8
159.11696	28.3
161.11990	1.3
161.13264	19.1
163.07529	2.6
163.14781	2.6
167.08548	0.9
169.10168	9.0
170.10869	2.3
171.11673	11.2
172.12325	1.1
173.13275	19.8
175.14821	8.0
177.09241	1.1
177.16267	0.9
181.10088	2.7
183.11702	6.4
184.12360	0.8
185.13280	9.6
187.14819	23.3
189.09064	1.0
189.16364	2.9
190.93021	0.9
191.14253	1.3
193.10175	1.0
195.11725	4.4
196.12411	1.0
197.13222	6.8
199.14825	13.1
201.16365	8.9
202.59206	1.0
203.17952	0.9
205.12157	1.2
205.51755	0.8
207.11687	1.2
209.13213	3.7
210.13985	1.2
211.14879	7.6
212.15376	1.1
213.12695	1.0
213.14445	1.0
213.16388	17.7
215.10614	1.7
215.14186	1.1
215.17899	2.2
219.13734	2.2
221.13297	1.5
223.14824	4.5
225.16382	10.2
227.10805	0.8
227.17976	5.8
231.13568	1.1
233.15268	1.1
235.14856	1.5
237.16412	4.5
239.17921	8.3
240.18588	1.3
241.12413	1.0
241.19519	6.6
243.13760	1.5
245.15364	2.3
247.16934	1.2
249.16357	1.7
251.17969	7.5
253.19470	4.6
257.15326	1.9
259.14899	0.8
259.16977	8.6
263.17902	1.7
265.19461	3.0
266.24774	2.8
267.21106	4.0
269.15305	1.7
271.16867	3.9
277.19385	2.1
279.20990	1.3
283.16794	2.8
285.18393	1.9
287.19986	1.0
291.21051	2.3
297.18503	8.1
298.19183	1.2
299.20062	4.2
305.22467	2.9
311.20035	4.5
313.21649	2.7
323.19965	1.6
347.23273	1.6
347.27359	27.2
348.27466	1.1
349.28827	2.7
351.23193	1.6
352.20486	4.5
365.28445	2.1
375.30289	2.4
393.27722	100.0
394.28186	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
56.96561	0.6
57.07076	2.7
58.07426	0.5
59.59864	0.4
67.05511	0.7
69.07069	0.5
69.19897	4.0
71.04983	0.5
79.05512	0.7
81.07023	0.5
86.04637	0.5
87.16547	0.4
91.05437	0.6
93.07070	1.1
95.08608	1.3
105.07050	0.9
107.08601	0.7
109.10137	0.5
119.08589	0.7
157.10194	0.8
172.91902	0.4
239.18198	0.5
254.51172	0.4
302.36896	0.5
308.19794	0.5
309.20016	1.8
375.24823	1.3
393.26114	100.0
394.26617	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	393.1518
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05491	0.4
68.05029	1.6
69.47897	0.6
69.48315	1.5
70.06567	0.6
72.87066	0.3
77.70139	0.3
83.93105	0.3
84.04479	0.4
85.02900	0.5
91.05452	0.8
91.38835	0.3
98.97572	0.5
107.04826	0.4
111.04410	0.4
121.06558	0.4
123.04408	0.4
124.05086	0.8
130.04979	0.9
133.96358	0.4
140.03394	0.6
147.04375	0.6
149.04588	0.8
171.06657	0.5
172.06073	0.9
177.05383	0.4
185.23630	0.4
189.06389	1.0
201.06529	1.7
202.07233	1.7
203.08052	1.8
204.08800	7.3
211.47295	0.4
215.08037	1.4
216.08807	100.0
217.09473	3.1
218.10371	5.1
225.06456	10.1
226.07196	3.4
227.07982	1.2
228.08740	0.6
229.09599	1.3
230.10384	9.5
234.10349	0.3
240.08806	53.8
241.09709	1.9
246.09883	6.1
255.09865	0.4
258.09970	2.1
260.52966	0.4
268.08316	5.0
272.11447	4.1
283.09399	1.3
300.10913	50.2
301.11319	0.9
311.08887	0.6
315.12021	0.5
333.13034	2.9
334.82922	0.4
343.11536	2.3
361.12564	5.2
375.14114	5.8
375.18280	0.3
375.53610	0.3
393.15179	32.9
394.15649	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.1157
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96569	28.1
63.95940	3.4
67.05498	4.4
69.03419	7.2
70.06572	5.3
71.52573	6.9
72.08176	4.8
75.85877	3.6
81.03405	5.8
84.08134	4.3
84.96026	5.3
85.02906	11.6
95.89198	4.7
97.02887	8.4
98.97590	64.7
107.40159	4.2
109.02959	3.9
110.97593	13.8
116.98650	19.9
117.03365	4.5
124.99143	4.7
127.29993	3.3
128.89722	3.6
128.98611	15.3
129.00851	3.4
135.04434	8.1
139.03816	4.0
143.00154	13.4
144.98161	5.4
145.02869	6.6
146.99646	7.7
152.98647	6.7
158.99661	12.9
161.01268	8.5
162.99179	6.6
163.03934	47.2
170.99684	10.9
177.00685	4.8
185.01205	5.4
189.00697	10.8
193.03944	3.6
218.99899	6.7
219.01808	26.0
230.13885	8.7
231.14163	20.6
237.00668	12.9
237.02870	30.4
249.02702	4.1
255.01686	6.0
261.06467	10.8
273.02798	6.9
279.07526	75.8
297.08432	11.6
340.08185	4.7
393.06454	16.1
393.11035	100.0
411.06625	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	393.0584
Annotation	Unknow
Peak:m/z	Relative Intensity
51.77307	6.1
51.95971	6.4
56.96567	11.7
66.42770	6.1
66.80351	6.3
68.40900	5.9
70.06578	10.8
71.04996	6.7
71.52688	9.7
72.08148	11.1
77.58750	6.5
82.06597	6.1
84.04498	10.6
85.02903	17.8
86.09697	9.0
87.19383	7.5
88.66309	6.4
91.05478	12.7
98.97580	13.7
120.08096	12.1
121.02896	9.0
132.68929	8.1
135.04410	7.7
147.04443	20.8
163.03954	13.3
190.65105	6.7
207.08717	9.9
218.85344	7.9
231.02669	22.6
237.00771	41.3
254.25777	7.9
255.01738	17.6
393.05487	100.0
393.16058	10.5
393.20526	23.9
393.25104	34.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.0584
Annotation	Unknow
Peak:m/z	Relative Intensity
57.13008	9.2
67.20941	9.2
68.28622	8.9
71.00319	10.9
195.22807	9.0
239.66605	9.2
375.07559	10.0
386.50937	9.1
393.05756	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	392.2108
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	1.0
55.05510	1.7
55.73569	0.9
56.96568	49.6
56.96852	2.4
57.03423	1.1
57.07079	1.5
61.02920	2.0
64.32068	1.0
67.05497	3.5
69.07072	2.6
71.52988	1.3
71.95276	7.0
72.96038	2.8
74.97588	1.2
79.05497	3.3
81.03455	1.2
81.07069	5.7
84.96018	1.7
85.02914	1.5
86.09711	1.3
91.03947	1.4
91.05483	1.1
93.07039	3.0
95.08607	2.8
97.02903	1.0
97.96844	1.6
98.97560	1.6
105.00182	2.4
105.07043	1.8
107.08609	1.3
109.10154	1.4
110.97546	5.2
115.00677	1.9
119.01712	1.9
119.08572	2.3
127.00673	1.2
128.17607	1.0
128.98570	5.3
133.10112	1.3
137.02754	2.8
139.00677	2.6
141.02234	1.2
141.80774	1.0
149.02301	2.8
150.02664	1.5
151.00710	1.8
153.02220	3.2
155.03824	2.4
157.01765	1.4
159.03331	2.2
165.02313	1.0
167.03831	2.8
169.01717	1.8
171.03343	5.4
173.04865	1.8
181.05339	2.4
184.00291	1.0
185.04892	6.5
185.06268	1.1
187.02759	1.6
189.04329	1.9
193.05435	1.4
195.06961	1.4
197.04909	1.7
199.06444	12.5
203.05907	4.8
207.06999	1.7
211.06404	3.7
213.07997	10.7
213.96217	1.1
217.07498	11.3
221.08585	1.4
222.07968	1.5
225.08051	5.4
227.09543	3.5
229.07489	5.9
231.06972	2.2
231.09082	7.6
236.09616	1.9
237.07933	6.5
239.09563	5.1
241.11154	2.5
243.09061	5.0
245.10634	2.7
247.08426	1.9
249.08035	3.8
251.09492	10.1
253.07523	2.3
253.11122	1.7
255.09061	28.3
255.11661	2.2
257.10559	2.5
259.12100	1.3
267.09039	28.6
269.10608	44.7
269.13507	2.4
271.08521	3.2
272.08817	1.5
273.10117	15.0
278.10709	4.9
285.10107	35.8
287.11655	11.8
289.09348	1.8
290.10538	4.1
292.12143	6.3
303.11066	1.5
308.11862	5.7
315.16174	2.7
323.18771	1.2
333.17340	20.4
351.18414	74.1
352.18753	1.3
369.19495	100.0
370.19968	1.6
374.19894	5.8
387.20593	3.9
392.20987	22.0
392.25092	6.1
392.36234	3.0
393.21274	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.3361
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	12.5
57.07076	12.4
67.05505	7.8
69.07067	33.5
69.28627	1.7
69.58111	1.6
70.66924	4.2
71.08629	6.0
79.05499	3.2
81.07067	12.5
83.08622	29.9
91.05486	3.7
93.07068	4.2
95.08602	24.7
95.30061	1.7
96.36195	1.6
97.10186	6.3
98.98441	2.8
105.07042	5.9
107.08572	7.8
109.10172	15.2
111.11733	4.9
117.07059	2.1
119.08598	6.5
121.10155	5.6
123.11729	6.5
125.13274	10.5
128.06218	10.0
129.07037	3.6
130.07780	2.1
131.08586	8.9
133.10155	5.4
135.11714	2.7
137.13272	13.1
139.14862	3.0
141.06976	3.6
142.07820	4.5
143.08568	84.3
145.10129	82.9
149.02321	10.8
154.07806	6.5
155.08565	16.9
156.09380	4.7
157.10144	26.5
159.11700	19.6
163.14868	4.3
167.08525	3.6
168.09352	5.9
169.10124	58.9
171.11688	42.8
173.13312	3.4
181.10188	4.5
183.11702	30.0
185.13261	16.4
187.14908	3.0
195.11700	5.8
197.13300	20.1
199.14810	6.5
209.13345	3.5
211.14886	10.0
213.16492	2.3
215.61703	1.6
223.14844	4.9
225.16370	5.4
226.47699	1.6
233.10146	1.5
237.16368	3.7
239.17950	99.0
241.19511	100.0
251.17972	3.0
253.19528	20.8
255.21072	5.3
259.23514	1.7
265.19595	4.5
267.20987	13.6
279.21075	5.8
281.22531	4.2
293.22806	5.5
295.24216	47.5
300.10855	1.5
307.24100	2.4
321.25784	36.5
334.46890	1.8
356.28476	2.0
362.94122	1.8
391.33585	59.6
392.33832	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	391.2631
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	4.8
55.01861	2.0
55.05521	12.2
56.96556	3.4
57.07058	5.1
59.04987	2.1
61.02894	3.2
61.85982	2.0
64.32756	2.1
67.05510	23.0
69.03408	6.9
69.07063	10.3
71.08626	5.1
79.05501	21.6
81.03412	3.6
81.07063	33.8
83.04959	3.2
83.08596	4.3
85.02928	2.6
85.06533	3.4
87.66772	1.9
91.05481	28.8
93.07049	31.9
95.04967	32.3
95.08601	24.5
97.06503	6.1
103.05519	2.5
105.07030	51.6
107.05007	2.0
107.08600	23.3
109.06506	6.8
109.10178	11.8
115.05489	2.8
116.79492	1.8
117.07017	12.8
119.08583	39.0
121.06483	8.7
121.10151	21.1
123.08062	3.1
123.11718	2.5
128.06244	4.6
129.06978	11.0
130.07799	6.2
131.08577	21.4
133.10127	14.2
135.07970	5.6
135.11696	4.0
137.05930	2.3
137.09537	2.4
137.94484	2.1
141.06978	6.4
142.07770	13.7
143.08556	26.4
144.09357	5.0
145.10123	37.9
147.08037	6.1
147.11671	12.5
148.45381	1.9
149.01291	3.3
149.02350	31.4
149.09634	3.2
155.08536	10.7
156.09305	13.5
157.10150	25.1
158.10861	3.2
159.08061	5.5
159.11687	17.1
161.09587	7.1
161.13260	3.6
165.06941	5.1
167.03452	3.7
167.08536	7.5
167.10652	3.2
168.09322	5.2
169.10112	17.1
170.10907	5.7
171.11670	15.7
173.09587	5.8
173.13269	10.5
175.11098	4.2
179.08548	9.4
180.09300	5.6
181.10146	14.6
182.10872	5.8
183.11720	18.9
185.09615	3.5
185.13277	4.9
187.11182	4.5
187.14801	4.0
191.14313	5.1
192.09364	4.7
193.10109	11.9
194.10866	7.0
195.08002	2.2
195.11661	17.0
196.12436	4.5
197.09648	2.1
197.13252	13.5
199.11113	3.5
199.14856	3.9
204.09329	2.5
205.10118	4.1
206.10913	6.4
207.11769	13.6
208.12486	3.6
209.13266	15.4
210.10609	2.3
211.11131	4.7
211.14821	6.4
213.16374	2.6
215.14400	2.4
217.15845	3.1
218.10893	2.5
219.11678	5.0
220.12399	5.2
221.13266	10.8
223.11125	2.3
223.14784	8.0
227.14255	4.7
231.11685	6.2
232.12515	2.4
233.13243	7.1
233.15440	2.8
234.14029	4.5
235.14833	8.1
236.15604	2.5
237.16309	4.8
241.15703	2.2
245.13208	5.1
246.13977	3.8
247.14854	6.6
249.12726	2.7
249.16374	7.2
251.14351	3.8
251.17845	3.6
259.14886	3.1
260.15704	2.3
261.16370	4.6
263.17877	6.0
265.19543	3.1
267.17502	3.8
269.10577	2.4
273.10144	2.4
275.17789	4.2
279.17447	2.7
281.19037	2.8
282.19714	9.2
283.20401	2.3
285.10056	4.2
285.16156	3.1
293.18890	3.9
295.20648	5.3
297.18546	4.6
307.20279	3.5
317.18845	4.5
335.19983	2.7
369.19440	4.8
369.73700	2.4
373.25110	17.2
391.15134	8.7
391.26062	100.0
392.26709	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	391.2455
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96558	0.9
57.03410	0.3
57.07064	0.5
59.09144	0.3
61.02918	0.3
67.05492	1.0
69.07066	0.4
71.08621	0.6
73.02928	0.3
79.05496	0.3
81.07040	0.9
85.02879	0.5
87.60703	0.3
91.03890	0.3
91.05483	0.4
93.07052	0.7
95.04955	0.3
95.08615	0.4
98.20747	0.7
98.97570	0.4
107.08601	0.3
109.10153	0.5
109.20373	0.3
119.08630	0.4
122.10585	0.3
127.54136	0.3
131.08588	0.3
133.10143	0.5
135.11713	0.3
145.10089	0.4
149.02351	4.0
173.11752	0.3
187.14920	0.4
223.47786	0.3
229.19002	0.3
243.08861	0.4
267.09290	0.6
285.10083	1.2
344.65021	0.3
350.17194	1.3
351.18124	0.3
368.18338	0.7
369.19672	0.6
391.24545	100.0
392.24857	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.2328
Annotation	Unknow
Peak:m/z	Relative Intensity
52.45055	2.6
55.05505	7.9
57.03436	3.2
57.07067	6.4
65.03948	4.1
67.05497	11.1
69.03408	6.3
69.07062	8.6
70.06606	5.6
71.04979	4.8
71.08637	2.9
72.08163	2.5
79.05502	8.1
79.76457	2.6
81.03424	3.4
81.07054	11.2
82.06575	11.8
83.04984	7.3
83.06109	9.9
83.08632	4.0
84.04501	32.4
84.08152	4.1
85.02910	13.9
85.06480	4.7
86.09689	2.9
88.42824	3.4
89.73933	2.4
91.05476	11.6
93.07056	12.8
95.04976	18.1
95.08612	17.6
97.02876	4.2
97.06527	8.5
98.97543	3.3
99.08099	34.9
105.03405	5.1
105.07066	8.9
106.03732	3.7
107.04957	5.5
107.08601	17.8
109.02920	3.4
109.10164	19.7
110.06067	2.9
111.04454	7.8
111.08054	2.9
112.62759	2.9
114.05591	3.4
117.03403	3.1
119.08577	13.5
121.02892	4.1
121.06542	3.0
121.10146	4.9
122.31415	2.6
123.04443	22.5
123.08077	2.9
123.11745	3.7
125.01554	5.6
127.03998	3.2
127.11196	5.3
129.05440	3.5
130.05008	9.4
130.06525	6.2
131.08548	2.6
131.96724	7.9
133.10123	10.2
133.96416	4.2
135.04448	3.9
135.11702	23.1
137.05997	4.3
137.09645	12.4
138.06667	3.3
139.03868	6.8
143.07031	5.2
145.02760	4.4
146.05988	16.2
147.04430	11.6
147.11687	3.2
149.02353	34.1
149.09709	3.9
149.13206	2.6
153.12732	16.5
155.10681	6.4
156.06580	7.9
157.04974	4.3
163.03900	3.7
167.03413	2.7
171.02068	20.8
171.13824	8.3
174.05504	11.8
175.14857	11.7
176.39618	2.5
177.05510	11.5
189.05487	4.5
190.05069	4.3
193.15924	14.3
194.08040	14.4
195.08813	22.1
197.04308	2.9
199.03630	3.8
204.06477	15.9
206.08153	17.6
211.16924	50.9
215.05197	5.9
223.08350	3.7
229.18042	11.3
232.05959	3.7
243.07692	3.1
244.10873	3.4
251.07828	14.2
269.08615	6.2
272.10297	10.7
278.98535	3.4
279.97916	3.3
289.10718	2.4
327.10895	6.0
329.12482	54.1
391.09485	100.0
391.19907	11.6
392.24509	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	391.1576
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45462	0.4
55.01865	0.8
60.00337	0.6
68.99801	0.5
70.06592	0.6
70.70821	1.0
70.86635	0.5
72.08128	1.0
78.89101	0.6
81.03384	0.7
85.02892	1.1
93.73308	0.5
95.04966	1.5
96.63448	0.5
97.02889	0.6
107.04975	0.7
109.02882	1.2
117.03402	0.7
119.04951	0.6
121.02872	15.9
123.04433	1.1
135.04379	1.6
145.02853	0.7
147.04399	0.8
149.02338	3.2
163.03926	4.3
165.00542	0.9
165.01837	8.7
165.09355	0.5
167.03561	0.6
177.01837	7.7
177.05473	1.0
179.03337	0.5
183.02882	2.0
187.03877	0.6
189.01836	2.2
191.03395	8.9
195.02924	1.3
203.03409	1.2
215.05315	1.2
219.02898	11.0
229.10715	0.8
231.02892	9.0
233.04480	1.1
243.02893	2.2
247.06049	0.5
249.03955	2.5
259.06021	4.7
261.03925	3.9
271.06039	5.5
279.04852	1.2
297.06015	0.9
313.07089	11.7
325.07117	6.3
337.07059	1.9
355.08057	3.6
361.13339	0.6
373.08969	2.8
391.10141	9.4
391.15692	100.0
392.16013	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.0996
Annotation	Unknow
Peak:m/z	Relative Intensity
66.39169	1.3
71.52003	1.9
72.08148	3.9
73.61497	1.0
74.76000	1.0
138.06563	1.7
145.02861	3.2
149.02364	4.7
163.03893	1.1
177.05525	4.3
195.08867	7.9
197.04271	2.6
199.03673	2.6
214.28558	1.2
215.05278	5.2
229.04742	17.2
251.99744	1.2
286.28360	1.3
294.06982	1.4
319.13730	1.3
373.09033	2.1
373.30719	1.8
391.09985	100.0
391.15616	24.4
391.31461	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	390.2123
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02370	0.3
53.03946	0.8
54.26025	0.3
56.96576	1.4
57.03459	0.3
61.02919	0.4
65.74202	0.3
69.03429	0.7
70.06585	0.6
71.51074	0.4
73.02910	0.4
77.03927	0.3
84.04513	0.5
84.08150	0.9
85.02896	1.5
86.09680	0.4
89.03918	2.3
89.33700	0.3
91.05483	2.8
93.07050	5.3
95.04984	0.7
96.04475	0.5
97.02897	0.9
97.61559	0.3
98.97591	1.2
99.85657	0.3
103.05475	3.8
105.04503	0.4
107.04980	0.6
110.07164	0.5
110.97572	0.4
111.04445	0.3
113.77161	0.3
116.98588	0.4
117.03355	1.6
119.01952	0.6
121.06511	100.0
122.06865	1.0
123.04440	0.3
124.03948	0.3
124.92049	0.3
124.99121	0.5
127.03945	0.6
129.10223	0.5
131.01956	0.4
135.04428	3.3
136.04701	0.4
136.06200	0.6
136.07466	0.3
137.05984	0.5
138.05513	0.7
138.09149	32.1
140.07068	0.5
143.00177	1.1
143.01910	0.4
145.02756	1.9
145.04964	0.4
153.04013	0.3
155.85710	0.3
159.05096	0.3
161.01285	0.5
162.06380	0.3
163.03920	18.4
164.04251	1.8
169.03531	0.3
173.57140	0.3
189.00647	0.5
198.03374	0.3
211.04616	0.4
219.07919	1.3
219.58096	0.4
228.08694	0.6
240.04390	0.5
245.05037	0.4
249.02815	0.9
251.04420	1.6
257.05228	1.0
258.05420	1.5
269.05362	1.1
280.14236	0.3
294.94003	0.3
305.07074	0.3
305.10760	0.6
407.08554	1.5
407.13596	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	390.1951
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	1.1
56.96566	13.8
57.07075	5.4
58.06601	1.9
59.98345	0.8
61.02922	1.2
67.05502	2.0
68.77147	0.7
69.07064	2.4
69.89597	0.7
70.06598	16.1
70.09956	1.0
70.10355	2.3
71.08630	2.3
71.95274	3.3
72.08170	1.8
78.10160	0.8
79.05481	1.6
81.03420	0.9
81.07060	2.0
84.08148	2.6
84.96024	1.1
85.02915	1.5
86.09716	2.8
88.07650	4.6
91.03996	1.0
92.22353	0.9
93.07047	2.6
95.08640	1.4
95.92307	0.8
97.02909	1.1
97.96801	1.2
98.21439	1.0
98.97590	2.4
102.09188	3.7
109.10166	0.9
110.97557	8.1
112.99176	1.1
114.09196	0.7
116.98601	1.0
127.00719	0.9
128.98622	7.9
129.99425	2.1
131.00162	0.9
132.10213	9.3
137.05994	1.7
139.00693	1.2
141.99397	0.9
143.00200	3.3
146.11751	8.3
146.99704	3.6
148.00456	2.3
155.00188	1.0
160.00433	1.7
161.01202	1.6
161.98361	1.3
169.01782	0.8
171.03314	2.3
182.99760	1.1
183.03342	1.9
184.04063	1.4
185.04861	1.4
189.04436	2.0
190.01457	0.8
194.46664	0.7
197.01279	5.2
197.04913	1.4
199.06439	4.7
201.00679	0.9
201.04594	0.8
202.05269	1.0
203.06012	2.3
211.02827	1.0
211.06401	1.3
213.08054	1.9
215.02252	4.7
215.05968	0.7
217.07523	2.9
221.04988	1.4
223.06566	0.9
225.07956	0.9
227.05968	2.1
229.07480	4.8
231.08990	1.1
237.16441	0.9
239.05931	5.4
240.06654	3.5
240.26895	2.1
241.07423	1.3
244.06120	1.2
245.06898	1.6
247.08623	3.0
251.11562	0.9
257.06973	12.6
258.07791	13.7
259.08502	1.6
259.12088	0.9
266.28448	1.9
269.12375	3.0
272.05600	1.5
275.08105	2.2
276.08844	6.1
280.09244	1.5
281.09393	1.8
284.29498	10.7
285.10272	0.8
290.06699	2.1
298.10867	1.2
307.15753	0.9
313.14740	0.9
328.32098	38.5
331.15814	15.9
349.16870	85.1
350.17621	0.8
367.17941	28.2
372.18619	1.3
372.29010	1.1
372.34915	1.2
390.19550	14.2
390.35822	100.0
391.19986	0.9
391.24780	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	390.195
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96559	43.9
57.03423	3.2
57.07057	4.6
61.02900	3.6
67.05491	4.8
69.07058	3.8
70.06596	10.8
70.64317	2.9
70.64666	1.8
71.08636	2.2
71.95238	5.3
72.96030	2.6
73.02934	1.4
73.84348	1.2
79.05512	3.0
79.75890	1.4
81.03403	4.1
81.07034	3.9
84.96036	2.3
85.02875	3.3
85.10204	1.5
86.09711	2.1
88.07631	10.1
91.03941	1.7
91.05486	1.9
93.07071	2.4
95.08559	1.5
97.02866	2.8
98.97577	3.0
102.09182	2.4
105.00170	1.4
105.07023	2.8
110.97572	4.9
114.09153	6.9
119.08542	2.4
121.10120	1.5
123.01194	2.5
128.98625	5.8
131.00159	1.3
132.10197	24.9
133.10165	1.8
136.60324	1.5
137.02733	3.1
137.05984	3.2
139.00681	2.8
143.00075	1.7
146.99687	1.8
147.11717	1.4
153.02261	2.2
155.03815	1.6
167.03825	2.6
169.01657	2.3
171.03310	7.6
173.04895	2.7
176.12830	3.5
183.03316	2.1
185.04839	6.8
189.04312	4.0
193.12238	1.8
194.13873	6.3
195.06960	2.0
197.04872	1.5
199.06392	7.1
203.05855	6.3
205.07396	2.6
211.06415	3.8
211.13287	1.5
213.07919	7.6
217.07422	10.4
225.07990	5.5
227.09590	4.5
229.07518	2.9
231.06972	2.9
231.09048	8.4
237.04240	1.6
237.07986	4.6
239.09549	4.5
243.08994	4.1
245.10541	2.0
249.08058	6.2
251.06030	1.3
251.07224	1.7
251.09435	9.7
253.07500	2.3
255.09023	22.3
267.09033	35.8
269.10437	48.4
273.10056	9.7
278.10709	3.1
280.09750	1.7
284.29446	5.5
285.10080	41.2
287.11688	10.3
290.10593	3.8
291.12628	1.9
292.12207	9.8
297.10223	1.7
302.30420	3.3
303.11017	3.4
308.11713	5.5
331.15744	13.4
346.33389	2.2
349.16837	42.3
367.17917	68.1
368.18304	1.8
372.18594	5.0
381.19354	1.6
385.18927	4.3
390.19171	15.3
390.23499	6.4
390.35754	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	390.1952
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05488	1.6
56.96566	52.0
57.03425	1.9
61.02915	2.2
67.05493	3.8
69.07052	3.9
69.09724	1.1
70.06588	2.2
71.95273	6.0
72.96043	1.5
73.02884	1.5
79.05476	3.1
81.03419	2.5
81.07037	4.2
84.96041	3.2
85.02928	2.6
91.03947	2.2
91.05456	2.4
93.07031	1.9
95.08587	2.7
97.02923	2.0
97.96828	1.5
98.97601	3.1
105.07044	2.9
107.08588	2.4
109.10157	1.5
110.97585	4.4
119.08629	1.7
121.10153	1.4
123.01156	1.9
127.00611	1.4
128.98607	3.7
132.10168	3.7
137.02736	4.2
137.05974	2.8
139.00699	2.1
141.02235	1.7
143.00131	1.6
146.99631	1.5
151.00653	1.9
153.02240	2.9
155.03842	2.0
157.01787	1.9
159.03192	1.9
160.11183	2.8
167.03749	2.8
169.01656	2.1
171.03271	4.9
172.21606	1.3
181.05455	2.0
183.03253	1.7
185.04881	6.2
189.04324	5.9
193.05376	1.6
195.06937	3.6
197.04730	2.4
199.06367	14.1
203.05965	6.4
205.07498	1.6
207.06923	2.1
211.06416	4.4
213.07948	15.9
217.07524	10.0
221.08559	1.8
225.07922	9.6
227.09557	4.0
229.07393	2.5
231.06911	3.2
231.09044	14.2
237.07994	5.1
239.09494	6.2
241.11168	2.8
243.08942	6.2
245.10515	3.2
249.07886	5.9
251.09494	17.0
251.11748	1.6
253.17267	1.4
255.09068	29.4
257.10565	3.3
267.06799	1.3
267.09042	39.1
269.10565	100.0
273.10034	13.5
277.21503	1.3
278.10544	4.8
283.11749	1.4
284.29279	1.5
285.10089	42.4
287.11633	28.4
290.10532	3.5
292.12125	17.8
296.11426	2.5
303.11380	2.8
308.11609	6.8
310.12949	1.7
331.15759	13.1
349.16858	32.8
367.17935	62.1
372.18311	2.7
372.28824	8.5
385.18869	4.8
390.19467	14.8
390.29990	5.9
390.35724	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	390.1396
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02386	1.1
53.03936	2.9
56.96564	1.8
57.03421	1.3
60.00863	1.0
69.03434	11.8
73.02900	1.3
78.03456	13.2
80.04996	1.4
81.03423	20.0
85.02901	10.7
86.09707	1.8
87.04428	1.9
96.04482	4.6
97.02898	6.3
98.97592	2.9
99.04440	3.3
106.02917	50.6
109.02879	12.4
111.04493	1.3
112.32602	1.1
117.03370	1.5
121.02859	2.2
123.04440	2.3
124.03959	100.0
124.07600	2.4
127.03914	8.4
135.04381	2.1
137.05951	4.2
160.33551	1.4
163.03911	11.8
165.01874	1.3
165.09073	1.9
166.04938	1.3
175.03996	1.2
177.05542	1.4
191.03340	1.4
219.01529	1.2
228.12328	2.6
232.06015	4.2
250.07109	24.3
268.08179	52.7
313.07150	1.3
355.09750	1.3
390.13986	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	390.1953
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96568	23.1
57.03430	0.7
57.07362	0.6
61.02939	0.8
69.07063	1.0
71.95264	3.1
72.96040	1.4
79.05482	1.2
81.07065	1.1
84.96027	1.5
85.02925	0.7
85.67653	0.7
91.05479	1.0
93.07050	0.7
97.02873	0.9
97.96805	0.8
98.97595	2.0
105.00119	0.8
105.07026	0.8
107.08586	1.0
109.10197	0.9
110.97562	4.9
115.00722	1.3
116.98601	1.4
124.99104	1.0
128.98630	4.2
129.02252	0.6
131.00221	1.2
133.51219	0.7
137.05962	2.1
141.94904	0.7
143.00165	0.8
145.01648	0.9
146.99667	2.9
151.00635	0.8
153.02272	0.8
159.03349	0.9
161.01228	1.2
167.03745	0.7
169.01768	1.3
171.03328	1.9
179.03850	1.0
179.18625	0.7
183.03305	1.1
183.06894	0.7
185.04866	3.2
187.02672	0.9
187.06400	1.4
189.04364	1.1
198.49435	0.7
199.06378	3.9
201.04395	1.0
203.05930	2.7
205.01685	1.0
205.07382	1.3
207.07143	0.8
213.07968	4.6
217.07439	3.6
223.02788	1.0
223.06467	0.8
223.08475	1.0
225.08006	2.5
226.07726	0.9
227.05948	1.4
227.09589	1.5
228.98366	0.9
229.07474	1.2
231.09076	1.9
235.10236	0.7
237.04256	0.7
237.07976	1.5
239.09515	1.9
241.07614	1.0
243.09071	2.5
245.10548	1.0
251.09636	1.8
253.11031	2.7
255.09062	1.2
257.10620	1.8
265.07037	0.7
266.10583	0.8
269.10464	4.8
271.12299	1.0
279.09085	1.3
280.09875	2.6
281.10535	1.0
298.10791	0.8
299.11954	0.8
303.16208	0.8
313.14581	1.2
331.15805	61.1
332.16019	1.0
349.16876	100.0
350.17242	1.3
367.17944	45.6
372.13910	0.9
372.18500	13.6
390.19522	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	389.2171
Annotation	Turpinionoside E
Peak:m/z	Relative Intensity
53.29655	2.0
55.05504	7.6
57.03413	3.2
67.05497	8.4
68.37350	2.1
69.03412	5.4
69.07056	8.5
70.64851	4.4
71.05008	3.4
79.05486	6.2
81.03419	2.2
81.07056	14.1
83.04992	5.3
83.08604	4.5
85.02910	9.5
85.06532	5.7
91.05477	5.6
93.07044	23.0
95.04984	16.0
95.08603	19.7
97.06516	4.4
99.04432	2.8
99.08107	13.9
105.07024	7.1
107.04964	7.7
107.08595	39.4
109.06547	10.7
109.10172	13.4
111.08071	5.4
119.08536	6.2
121.06511	18.6
121.10155	29.2
123.08071	17.5
123.11694	2.1
125.09628	7.4
131.08577	11.8
133.10121	22.3
135.07124	2.1
135.08055	12.8
135.11734	5.0
137.09622	5.4
139.11143	4.0
143.88805	1.9
145.10144	4.6
147.11681	5.9
149.09625	52.0
149.13248	14.6
151.11188	18.0
153.09135	10.1
158.10895	2.5
163.11177	2.5
163.14828	30.0
165.12592	2.1
173.13255	20.5
190.81590	2.3
191.14313	59.4
207.69962	1.9
209.15381	100.0
215.56886	1.9
227.16487	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	389.2171
Annotation	Turpinionoside E
Peak:m/z	Relative Intensity
54.77633	3.8
55.05522	6.6
67.05507	9.0
69.07061	6.3
70.65204	10.3
71.05004	5.4
72.08173	5.6
79.05473	7.6
81.03402	4.2
81.07056	13.4
83.04986	8.2
83.08634	5.0
85.02902	8.7
85.06519	6.7
86.09706	5.0
91.05477	9.8
92.89140	3.8
93.07044	20.6
95.04964	10.9
95.08591	19.5
97.02879	7.0
97.06531	5.6
99.04483	5.4
99.08103	15.3
105.07047	9.9
107.04964	6.7
107.08596	36.0
109.06539	10.3
109.10155	14.1
111.08064	5.6
119.08569	9.1
121.06510	13.5
121.10144	26.1
123.04446	4.5
123.08083	12.8
123.11843	4.0
125.09630	6.2
131.08588	13.6
133.10107	21.6
135.08034	12.4
137.09573	9.9
147.11703	9.0
149.09625	53.7
149.13260	17.5
151.11162	21.6
153.09102	8.7
163.14859	21.2
173.13309	25.6
175.22548	4.0
175.39217	3.5
176.90654	3.6
177.05487	8.3
178.05791	6.2
181.53033	4.2
191.14325	68.5
205.63126	3.6
209.15390	100.0
227.16362	7.4
237.09630	5.7
341.13702	7.3
389.14264	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	389.2171
Annotation	Breyniaionoside D
Peak:m/z	Relative Intensity
55.05507	4.2
66.21317	1.4
67.05508	2.0
69.03426	10.8
69.07081	2.6
69.75640	9.1
70.32780	1.6
79.05507	1.8
81.07056	4.0
83.04974	6.2
83.08626	3.1
85.02899	4.7
85.06487	2.1
91.90760	1.5
93.07047	6.2
95.04980	2.0
95.08602	7.2
97.10158	2.9
98.20806	2.7
99.08094	3.8
105.03408	3.9
107.08598	16.6
109.06487	2.4
109.10146	6.3
111.08075	6.1
113.05966	2.4
121.10143	13.1
125.06010	2.3
125.09642	49.7
125.10577	2.8
131.08435	1.5
133.10144	3.7
135.08044	6.7
135.11690	2.1
137.09612	3.8
139.07545	2.2
139.11223	1.9
149.09631	60.6
149.13266	5.3
151.11179	14.2
153.09113	11.5
163.14798	7.1
173.13292	4.7
191.14311	29.2
200.83670	2.0
209.15385	100.0
227.16443	7.3
399.82120	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.2168
Annotation	Breyniaionoside D
Peak:m/z	Relative Intensity
53.03933	2.5
56.04170	2.4
57.03436	2.9
67.05503	7.9
69.03432	6.9
69.07070	4.4
69.17937	21.8
71.04980	9.7
72.08146	3.2
78.58231	2.4
81.07064	14.4
83.04950	2.6
85.02904	22.2
85.06537	8.8
86.09686	4.0
91.05484	6.1
93.07028	12.3
95.04970	77.2
95.08633	6.7
97.02888	6.1
97.06551	7.9
99.04447	23.5
99.08065	10.4
105.07031	9.9
107.08609	17.2
109.02903	2.7
109.06486	6.0
109.10162	44.5
115.07598	5.3
116.01709	3.5
119.08596	7.5
121.10149	7.3
123.04465	2.8
123.08029	3.3
123.11692	16.6
125.09596	2.8
127.03923	3.3
127.07558	6.0
131.08559	9.6
133.09120	4.2
133.10132	76.6
135.08055	3.3
139.11203	5.9
145.10112	2.7
147.11720	4.1
149.09627	4.0
149.13287	8.8
151.11177	15.6
153.09100	37.5
158.10924	2.7
163.03961	8.0
163.14784	3.9
169.12190	10.9
173.13261	31.9
191.14308	48.9
191.16063	2.8
197.05124	2.1
209.15369	100.0
211.11581	4.0
227.16464	12.2
272.46613	2.5
273.04047	4.2
274.04315	5.2
275.04605	10.3
301.06027	2.9
313.37180	2.2
315.07889	2.9
333.56363	2.3
341.05545	5.9
345.15082	7.1
371.06586	4.6
389.08173	3.4
389.14804	27.0
402.81058	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	389.1577
Annotation	Unknow
Peak:m/z	Relative Intensity
69.22778	5.6
69.23186	1.4
69.82939	0.7
72.08154	1.5
81.07034	0.9
86.09682	0.7
95.04985	0.9
98.97597	0.9
107.08604	1.3
109.10157	2.7
133.10089	1.1
204.07318	1.0
205.07652	1.0
206.07980	0.8
209.11452	0.8
209.15311	1.7
210.11372	0.8
217.41783	0.8
227.12535	4.6
227.16327	1.0
269.10516	1.3
291.06113	0.9
318.53723	0.8
358.12433	1.6
389.17358	100.0
390.17651	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1597
Annotation	Renealtin A
Peak:m/z	Relative Intensity
51.47441	0.9
53.03914	1.4
55.01864	3.9
55.05503	1.6
55.40718	0.9
67.05488	2.4
68.99770	1.2
69.07060	1.4
70.69169	2.5
79.05475	1.2
81.03412	1.2
81.07043	2.1
81.18285	0.9
91.05473	2.3
93.03400	1.2
95.04952	3.2
95.08649	2.2
97.02892	1.1
97.06526	3.9
103.05465	1.0
105.03373	1.4
107.04951	1.6
109.02875	4.6
115.05410	1.5
119.04960	8.6
121.06468	1.5
123.04434	100.0
124.04787	1.2
127.03904	1.2
133.06482	1.3
135.04381	2.7
137.05954	2.2
139.03911	33.7
141.09036	1.4
143.04903	3.0
145.06433	1.4
147.04422	33.6
149.06012	2.0
151.03903	48.6
153.05423	1.5
161.06006	11.3
163.03934	6.0
163.07498	1.3
165.05482	22.4
165.09135	1.4
167.07065	1.3
169.05042	1.9
173.05995	17.9
175.03792	1.3
176.04680	2.6
177.05496	15.5
177.09203	1.6
179.07018	4.1
181.05022	4.9
181.08582	5.1
189.05440	2.9
191.07033	4.3
191.10619	1.0
193.05008	2.7
193.08609	60.4
203.06918	1.2
205.08589	3.0
207.06544	13.6
207.10179	1.7
217.08417	1.4
219.06609	1.4
219.10172	19.7
219.68533	1.1
223.09602	3.7
231.10165	2.3
237.11195	12.1
249.11148	4.4
273.07452	1.6
285.07574	3.7
291.08572	6.7
303.08643	8.6
311.09143	2.6
327.12210	4.7
329.10229	18.9
345.13348	32.1
353.13797	5.9
370.30579	1.1
371.14941	19.8
389.15976	24.3
389.23749	1.1
390.16177	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	388.3058
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96555	34.3
61.02907	23.1
61.29005	25.3
62.52502	23.4
67.05506	67.5
69.02585	21.1
69.03420	28.7
69.78548	100.0
71.05010	25.3
79.05482	38.9
81.03416	34.6
81.07043	41.3
84.62047	19.9
85.02924	25.9
86.09685	22.4
91.05485	88.5
93.07038	44.9
94.07400	19.9
95.04967	28.0
95.08651	26.8
96.66393	24.5
97.06554	22.6
97.10158	28.8
98.97570	30.0
105.07035	38.7
107.08580	23.7
119.08612	35.2
121.10172	25.2
125.09586	30.4
131.08600	27.6
133.10182	41.1
135.11673	33.8
137.06017	32.7
145.10162	27.4
163.03925	37.1
177.34390	23.0
186.21169	22.7
203.71422	24.7
229.07597	47.3
247.05287	24.5
269.14886	26.6
290.13940	24.5
302.15652	21.2
321.07623	23.7
407.16782	24.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	388.1616
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03424	0.8
64.94655	0.4
65.03922	1.1
67.05488	0.5
69.03425	2.4
70.06578	1.6
70.77531	0.6
70.77850	0.7
71.04987	0.6
77.32398	0.5
81.03420	0.9
85.02914	4.0
91.05484	60.8
96.40063	0.4
98.97557	0.7
99.04424	0.6
105.07010	0.6
107.08563	0.6
111.04414	0.7
119.08551	0.5
123.04394	1.5
123.08154	0.8
127.03928	0.6
130.07266	0.4
131.62433	0.5
135.04327	0.6
137.05942	1.4
138.06340	0.6
139.03908	12.4
140.04247	5.6
147.04347	0.5
148.06172	1.3
149.05968	1.3
150.06332	0.5
151.03891	0.5
160.05188	0.5
161.05989	2.5
162.06337	1.4
163.03914	9.9
164.04262	6.5
165.09140	2.4
166.09476	2.5
176.07867	1.4
177.05467	1.7
189.09190	2.5
190.09427	3.5
191.10704	0.6
191.14241	0.8
192.11012	0.6
193.08650	0.8
194.09000	0.8
208.14191	1.0
209.08273	0.6
216.11052	0.7
219.10094	0.6
220.10455	0.8
226.10883	100.0
227.11308	1.5
262.11734	0.8
273.26068	0.5
326.10950	0.9
328.21429	0.6
344.12354	0.5
344.22580	0.5
356.00934	0.5
375.11685	0.5
388.16147	46.4
388.23532	1.7
389.16422	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	388.2694
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	24.6
56.96545	56.1
57.03431	21.3
61.87297	19.6
65.38099	19.0
66.71037	17.2
67.05489	74.9
69.03411	22.1
69.07056	29.8
69.78731	17.4
71.52495	22.3
71.72878	17.4
77.04688	19.6
79.05475	47.2
81.03413	31.0
81.07047	53.1
87.65585	18.5
91.05452	36.1
93.07052	21.1
95.04992	29.0
96.80039	17.8
97.06528	39.4
98.97598	47.2
105.06994	22.9
107.08545	36.6
109.10140	27.8
112.20006	18.3
133.10069	24.0
135.11676	18.7
137.05954	30.6
139.03914	24.2
141.42778	20.6
153.05489	100.0
246.81418	19.5
285.10150	22.7
389.16165	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	388.1615
Annotation	benzyladenine-9-N-glucoside
Peak:m/z	Relative Intensity
53.03947	0.2
55.01880	0.2
57.03434	0.4
58.38484	0.2
61.02928	0.7
65.03941	0.7
69.03432	2.0
69.32910	0.3
69.33320	1.4
70.06587	0.5
71.05022	0.3
73.02930	0.4
73.60948	0.2
79.62213	0.2
81.03404	0.8
85.02904	2.2
87.04501	0.5
91.05482	57.8
92.05824	0.4
95.05007	0.2
100.80103	0.2
104.97388	0.2
105.07042	0.3
109.02847	0.3
123.04405	0.4
126.81238	0.2
127.03929	0.7
137.33176	0.2
139.03920	1.6
140.04227	0.7
148.06158	1.7
161.05966	0.3
162.06339	0.2
163.03888	1.5
164.04213	1.0
189.09119	0.3
190.09492	0.4
209.08305	0.4
220.10440	0.2
226.10878	100.0
227.11197	1.2
268.11972	0.2
287.34467	0.2
290.91354	0.2
352.12421	0.2
388.16153	46.8
389.16626	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	388.106
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27488	0.8
51.64087	0.8
53.03934	1.0
53.58282	0.8
54.21128	0.9
55.01890	0.7
55.05493	1.2
56.23054	0.7
56.96565	3.1
57.03421	1.9
58.56472	0.8
59.04943	0.9
61.02926	1.9
65.03939	1.3
65.54317	0.7
67.05491	1.4
69.03420	1.5
70.63593	1.7
70.63934	1.0
71.04974	2.3
73.02905	0.9
75.04477	1.2
77.03902	0.9
79.05488	2.3
81.03408	2.9
81.07047	1.6
83.08583	0.8
83.95578	0.8
85.02891	1.7
89.03893	1.4
91.05480	13.8
92.04996	0.9
93.07025	2.0
95.04971	3.0
95.08606	0.9
97.02885	2.7
97.06512	1.4
98.97572	1.5
103.03994	0.8
104.04999	9.3
105.05772	17.0
105.06941	1.1
106.06564	2.8
107.07329	1.3
107.08552	1.2
108.04473	1.4
109.06507	1.2
109.10126	1.3
116.04986	1.2
117.05801	1.8
118.06572	4.7
119.03682	9.3
119.08576	1.6
120.04478	8.3
121.06495	3.2
121.10138	1.4
122.52757	0.8
123.04497	0.9
123.06821	1.3
125.01562	5.2
127.01823	1.2
129.06996	1.0
130.02950	4.1
130.03810	0.8
130.06508	0.9
132.04456	96.9
133.05240	26.7
133.10121	1.1
134.02386	1.3
134.06029	10.4
137.05937	2.4
138.01056	1.4
138.06354	1.2
139.00597	2.9
139.03894	1.4
145.04013	1.7
146.05931	0.8
147.11639	0.8
148.03970	1.6
149.04720	36.5
151.01840	2.9
153.02141	2.8
157.10065	1.4
158.05997	1.2
162.05504	26.8
163.06288	67.3
164.07071	100.0
166.08614	1.5
177.06589	2.4
178.00536	1.1
179.01379	2.7
179.05737	1.0
180.02075	5.8
188.07059	2.1
193.01682	1.1
193.12245	1.3
194.08148	22.0
202.04999	7.0
206.08351	1.6
207.03221	2.2
218.09152	1.1
220.09958	0.9
229.07484	2.8
233.06927	1.1
239.03645	1.3
239.09462	1.1
241.05278	23.8
247.08640	1.2
255.09059	4.5
258.09363	2.3
264.08990	1.6
265.07419	3.8
267.03119	1.3
267.09058	2.5
267.15866	1.6
273.10040	1.9
278.44794	0.8
283.08649	4.2
285.10046	1.8
296.05872	2.7
297.10153	1.4
298.07455	2.0
299.05832	8.4
299.11588	1.1
300.06592	14.7
301.09784	1.2
315.11087	2.3
328.08435	3.6
347.15045	0.9
356.07996	1.5
357.08771	1.7
363.15875	1.9
365.16342	1.3
380.25677	1.0
388.10461	1.7
388.14883	1.5
388.21564	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	388.1059
Annotation	Pyraclostrobin
Peak:m/z	Relative Intensity
50.30978	0.3
56.96558	0.6
59.01368	0.4
65.03945	0.8
66.04737	0.4
67.05530	0.8
69.57555	0.9
69.57984	0.9
71.64867	0.3
75.04480	0.9
77.03951	0.6
78.04723	0.8
79.05494	0.8
80.05003	0.3
81.07052	0.3
91.05485	3.5
93.07065	0.4
94.02671	0.3
94.04200	0.9
95.04980	0.6
97.02903	0.3
99.08090	0.4
100.60168	0.3
103.04209	0.5
104.04996	9.8
105.03407	0.6
105.05780	22.2
106.06571	4.0
107.04989	0.4
107.07353	1.4
108.04475	1.1
109.06528	1.0
116.04947	1.7
117.05785	1.7
118.06544	5.3
119.03687	12.3
119.06081	0.3
119.07317	0.5
119.08569	0.4
120.04466	14.4
121.05292	0.5
121.06493	3.2
123.06807	3.5
126.01078	0.5
128.04955	1.0
129.05722	0.3
130.02914	1.9
132.04456	19.2
133.05238	39.7
134.02393	1.2
134.06024	11.7
135.06813	0.7
137.05959	0.3
138.01050	0.5
139.00574	0.8
140.02461	0.3
143.06012	0.3
144.04422	0.7
145.05148	0.3
146.06024	3.9
148.03925	2.0
149.04724	43.4
151.06360	0.5
159.05499	0.5
162.05508	22.0
163.06287	100.0
164.07069	47.0
165.07373	0.5
166.08632	1.2
174.05562	1.0
178.04933	0.3
179.01390	0.3
179.05774	1.0
182.74837	0.3
183.28096	0.3
184.07339	0.6
191.08299	0.3
193.01625	0.4
194.08131	47.4
195.08414	0.4
204.08142	0.5
216.06563	0.8
218.08403	1.9
219.09154	0.3
232.07495	0.4
233.09534	0.7
241.05246	0.5
243.07930	1.1
253.05280	2.6
261.08990	2.4
268.06296	0.3
281.04700	0.9
296.05850	18.7
324.05374	3.1
347.15311	0.3
347.20685	0.5
356.07645	0.4
365.21555	0.5
388.10498	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.2013
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05493	2.9
57.72812	2.7
59.04995	8.3
59.14791	2.4
67.05499	5.5
68.99810	2.4
69.03418	6.8
69.61423	16.7
70.06593	13.0
71.06909	3.4
79.05493	6.1
81.07047	4.2
85.02901	7.8
91.05473	9.0
93.07030	6.8
95.04990	3.0
95.08643	5.2
96.08130	4.7
101.06035	3.8
105.07003	13.8
107.04964	8.8
107.08595	33.6
109.02897	2.6
109.06528	12.3
109.10156	8.6
119.04971	2.8
119.08573	13.3
121.06501	3.9
121.10178	4.1
123.04422	14.4
123.08057	16.0
124.04765	5.3
133.06483	3.6
133.10143	5.3
135.08058	6.0
135.11749	13.7
137.09619	100.0
139.03947	5.7
146.79857	2.9
147.04424	10.2
147.11679	8.1
148.04785	5.4
149.09628	8.0
151.03957	3.5
151.07520	3.6
153.09152	6.2
161.05887	4.0
161.13243	15.6
163.03885	5.9
163.11182	3.1
165.05525	3.1
171.11697	3.7
177.05492	7.1
178.05812	2.7
189.12688	12.5
203.07007	33.8
204.07404	44.3
207.13788	14.5
225.14871	3.9
235.11520	2.7
273.03934	5.9
355.12000	4.3
356.12167	32.7
369.16745	3.9
387.16446	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	387.2014
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	3.5
56.83392	2.0
57.07061	5.1
65.03949	2.0
67.05505	18.9
69.03436	3.8
70.04620	7.6
70.06594	49.0
70.06968	4.5
71.06926	8.3
81.07056	2.1
83.04994	4.3
85.02911	4.6
85.06541	13.3
93.07056	8.3
95.05016	2.5
95.08612	100.0
96.08130	20.6
97.08498	5.3
98.20852	3.6
105.07049	4.5
107.08567	10.6
109.10173	2.6
110.34129	1.9
113.05985	16.8
119.08601	17.5
121.06474	2.2
121.10165	7.2
123.04427	5.8
123.08057	35.2
124.04735	3.3
135.11668	14.7
144.71188	2.4
147.04474	2.5
147.11734	11.2
147.12675	2.3
149.09613	35.1
149.10733	2.6
151.14830	5.3
161.13289	14.3
163.11191	7.1
165.12775	5.1
175.03859	4.9
176.04305	6.1
177.05443	14.4
178.05867	11.8
179.14337	3.7
185.27309	2.1
189.12759	21.1
203.07103	3.1
204.07367	3.0
207.13817	73.0
207.15758	3.8
234.11276	4.3
235.11552	11.6
273.03952	5.4
330.10724	4.2
340.89044	2.3
387.16333	57.9
412.65118	2.4
413.35925	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	387.1438
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	0.7
55.01867	1.7
55.05499	0.7
55.19705	0.6
65.03909	1.2
67.05490	2.4
68.99781	1.1
69.03408	0.8
69.07065	2.4
70.30347	0.5
79.05502	3.9
81.07066	1.4
83.04982	1.8
87.80174	0.5
91.05483	1.1
91.79845	0.5
93.03385	1.3
93.41041	0.5
95.04968	3.1
97.02882	0.7
97.06537	3.6
97.07063	0.6
99.04453	1.0
99.83030	0.6
107.04967	1.3
111.04462	2.6
118.04169	0.7
119.04950	1.2
121.02909	0.7
123.04430	11.3
124.05206	1.1
131.04918	1.8
132.05702	0.7
133.06496	0.8
135.04410	1.4
137.05989	1.1
139.03908	100.0
142.07751	0.6
143.04886	0.6
145.06395	1.4
147.04449	3.2
151.03906	0.9
153.05470	0.8
159.04468	1.2
160.05232	1.9
161.05983	1.9
163.03937	3.2
164.04663	0.8
165.05341	0.6
167.03403	1.2
171.08069	0.6
173.06020	0.7
181.04916	1.1
185.09596	1.2
185.48199	0.6
186.06810	0.6
187.03911	1.1
187.07509	0.6
189.05556	1.1
201.09109	27.3
202.09938	1.3
203.10689	0.7
207.34013	0.6
215.10651	0.8
219.10202	3.1
225.09177	1.5
231.10197	2.0
243.10117	4.5
249.11174	0.7
285.11227	0.9
301.07129	0.9
327.08679	2.4
327.12262	0.8
351.12357	0.7
369.13364	21.4
370.13885	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1439
Annotation	Comazaphilone D
Peak:m/z	Relative Intensity
51.76731	0.4
53.03936	0.8
55.01865	1.2
56.44750	0.5
57.03428	0.7
65.03924	1.3
67.05495	1.7
68.99787	1.2
69.07084	2.5
69.43971	2.4
69.44379	1.1
70.90868	0.4
79.05502	3.6
83.04975	1.5
88.01767	0.5
91.05473	0.7
93.03424	1.0
95.04983	2.2
97.06535	27.4
99.04466	0.6
111.04438	3.4
113.63140	0.4
119.04913	0.8
121.02838	0.6
123.04433	17.0
131.04942	0.6
133.06526	1.0
135.00267	0.4
135.04434	1.0
137.05975	1.0
139.03906	100.0
145.06537	0.8
147.04431	2.1
147.07993	0.5
151.03922	0.7
153.05370	0.5
155.08609	0.6
156.08025	0.4
159.08107	0.5
160.05176	0.5
161.05959	3.4
163.03928	6.4
165.05455	0.6
175.03871	0.8
175.07541	2.4
181.04979	1.5
185.09676	0.4
189.05457	1.1
189.09125	0.8
197.09621	0.5
201.09119	11.4
205.08650	0.6
217.08577	3.1
219.10172	38.6
225.09216	0.5
231.10159	1.5
239.10860	0.5
243.10129	1.8
249.11182	0.9
259.09604	0.6
261.11221	0.7
266.30420	0.5
327.08667	0.6
369.13361	6.7
387.14423	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1401
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50752	2.0
51.39293	1.6
56.67089	1.7
56.96562	4.0
57.03437	2.8
65.03942	2.0
69.03413	6.4
69.51802	13.5
70.06602	2.3
71.04992	3.6
72.08157	2.4
74.02439	19.6
79.05492	2.3
81.03408	2.9
84.08160	2.4
84.96016	1.9
85.02916	16.8
86.06042	2.2
88.03991	2.9
89.03928	8.6
93.07001	2.1
95.04958	1.8
97.02898	5.5
98.21520	2.3
98.97589	7.5
107.04980	4.6
110.06045	100.0
111.04424	2.8
116.03385	2.0
117.03397	7.9
119.04980	2.4
123.04440	8.0
127.03929	3.1
134.05975	8.6
135.04419	12.8
136.03873	2.3
137.05991	2.3
139.03877	12.6
143.00209	2.5
143.01886	2.8
145.02863	6.9
147.04398	5.7
151.02159	2.3
161.07158	9.0
162.01350	3.9
163.03906	64.3
164.04266	6.3
167.07010	5.2
167.70459	2.1
173.71751	1.8
175.03899	4.5
177.03249	2.4
179.00233	2.4
179.01587	3.8
179.08167	11.8
185.03030	2.2
185.06358	1.9
185.12880	2.3
190.00844	4.1
191.06998	2.9
192.06558	5.2
207.07776	8.9
211.04262	2.1
219.01706	2.5
223.04268	35.2
225.08710	62.2
275.06088	2.4
288.15549	2.1
315.08859	1.7
345.82928	2.0
369.11005	3.3
387.16479	4.4
402.53821	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	386.2022
Annotation	Unknow
Peak:m/z	Relative Intensity
51.73060	1.8
55.01875	2.5
57.03437	21.4
59.05000	2.5
61.02925	7.0
66.07674	2.0
69.03432	61.8
69.50352	14.4
71.04997	3.2
73.02913	13.0
73.22132	2.1
78.27766	2.0
81.03440	3.8
85.02908	100.0
87.04472	42.8
91.03967	4.2
96.08140	3.4
97.02891	59.4
99.04456	3.1
104.30379	1.9
105.92374	1.8
109.02890	8.8
115.03938	74.5
123.03522	1.9
123.04433	4.5
127.03915	21.5
129.90125	1.8
133.04970	78.8
145.04964	46.6
150.07610	6.8
162.88365	2.0
163.03944	3.5
163.06009	22.7
182.91051	2.2
203.07051	10.6
203.43216	1.9
223.05923	2.4
231.23431	2.3
237.13397	8.2
241.07098	2.4
259.08044	5.9
277.09317	3.9
288.96707	2.1
295.10229	4.4
350.01453	2.1
355.11713	5.9
386.15906	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	386.1599
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	1.3
61.83320	0.4
63.31295	0.4
67.05502	0.7
67.89362	0.3
68.05019	0.6
68.99770	1.3
69.03412	1.6
70.06594	7.9
70.46065	0.9
70.46407	0.5
79.05505	2.1
81.03416	0.5
84.08134	1.3
89.49299	0.3
91.05497	2.3
93.07048	2.0
96.08129	8.4
97.02916	0.6
105.03387	0.6
105.07003	1.3
107.04956	10.7
107.08572	0.7
115.05448	0.6
117.06999	0.6
119.04957	5.3
119.08567	1.5
121.06498	0.6
123.04436	27.1
124.98811	0.4
125.02366	1.1
128.06169	0.6
129.07016	2.5
133.06473	3.2
135.04396	0.6
137.05925	0.5
137.09589	1.0
139.03882	1.2
143.04962	0.7
145.06563	0.6
147.04419	16.4
147.08005	2.5
149.05975	1.4
151.03900	6.1
153.56200	0.4
157.06494	3.3
160.05199	1.0
161.06001	5.2
162.03070	0.6
163.03868	0.8
163.07628	0.6
165.04182	0.6
165.05486	7.9
175.03873	1.3
175.07559	6.1
177.05486	4.5
179.07051	0.9
181.04933	0.4
185.06000	3.3
189.05545	0.5
191.07069	1.7
193.04996	0.9
203.07033	100.0
204.07361	1.5
207.06526	1.6
215.07071	0.8
230.12912	0.4
233.08052	1.4
234.11243	5.8
245.08160	0.5
297.14990	0.4
303.08679	3.4
313.10706	0.5
329.10135	0.8
337.10733	0.7
355.11768	46.6
356.12271	1.2
386.15991	28.4
387.17322	0.7
399.19354	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	386.2022
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03919	1.6
55.01859	1.0
57.03445	5.3
58.75968	0.7
59.04978	2.6
60.04499	1.3
61.02920	2.0
65.03935	0.7
66.69175	0.7
67.05491	0.8
68.04996	1.0
68.99796	1.1
69.03431	20.3
70.06261	0.8
70.06593	8.3
71.51993	0.9
72.50446	0.8
73.02894	3.3
79.05481	2.6
81.03403	1.9
84.08122	2.0
85.02906	26.7
86.09697	1.0
87.04005	1.0
87.04474	14.2
91.03927	1.2
91.05461	3.3
91.05955	0.7
93.07011	1.9
96.07566	1.1
96.08135	15.2
96.60548	0.6
97.02296	1.1
97.02899	18.0
98.97549	0.9
99.04435	1.5
104.10708	1.2
105.07037	1.4
107.04960	12.0
109.02863	2.5
115.03188	1.0
115.03942	18.7
115.05463	0.8
117.03455	0.7
117.07024	1.2
119.04948	6.2
119.08552	2.2
120.26046	0.8
120.39686	0.7
121.02850	0.7
122.02386	1.0
123.04436	24.1
127.03930	5.9
129.06946	2.1
133.04971	29.3
133.06509	2.1
135.04436	1.6
139.03831	2.2
143.04865	0.7
145.04968	10.6
147.04417	17.7
147.08043	4.3
149.06004	1.4
150.07610	2.7
151.03915	6.5
157.06490	2.4
160.05153	1.2
161.05975	4.6
163.03893	1.3
163.06010	6.1
163.07382	1.4
165.05489	7.8
166.91957	0.8
175.03941	3.2
175.07568	6.2
177.05496	3.5
179.07088	1.1
181.05055	1.1
184.66519	0.7
185.06035	2.9
191.07021	2.1
193.04941	1.2
203.07040	100.0
204.07321	1.5
207.06583	2.2
215.07152	1.9
233.08130	2.3
234.11235	7.3
237.13393	0.9
241.07101	1.2
259.08203	1.3
273.03943	1.3
275.16055	0.8
295.10229	1.8
303.08694	3.5
355.11761	47.7
356.12476	1.0
386.16025	32.2
387.16312	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	386.1598
Annotation	Papaverrubine B
Peak:m/z	Relative Intensity
54.03459	0.7
54.35032	0.6
58.06602	1.6
67.05524	1.0
68.99828	0.7
69.60960	2.2
69.61375	1.0
70.06593	100.0
71.06946	0.7
79.05486	1.9
81.05756	0.9
91.05470	1.3
94.06565	1.8
95.05005	0.6
95.08608	2.0
96.08131	45.0
97.08456	0.5
104.30309	0.5
107.04949	0.8
110.07123	0.6
119.04961	1.5
121.06516	1.2
123.04428	10.5
123.08078	0.8
135.04439	1.0
136.90083	0.5
141.00560	0.6
147.04410	6.9
149.06050	3.5
161.05899	0.8
163.03937	0.7
165.05486	5.3
175.02364	0.7
175.03909	14.3
175.97346	0.6
177.05469	47.8
189.05444	1.1
191.07008	1.1
203.07051	10.1
207.06544	2.1
207.13815	1.1
226.97476	0.5
234.11252	21.5
235.11526	0.7
322.49356	0.6
329.10184	8.7
355.11676	1.9
386.15973	85.8
387.16077	1.5
402.55783	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	386.1597
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01858	1.2
55.55140	0.5
68.05041	0.6
68.99786	1.1
69.03418	1.0
69.61472	0.4
69.61816	2.7
76.56104	0.4
78.51362	0.5
79.05499	2.2
79.10535	0.4
84.08140	1.1
88.04475	0.5
90.47914	0.4
91.05482	2.6
93.07026	1.7
96.08134	6.8
104.55270	0.5
105.06991	1.3
106.29073	0.4
107.04961	12.0
114.57179	0.5
117.06959	0.6
119.04959	5.8
119.08547	1.7
123.04434	25.0
125.02323	0.9
128.06245	0.6
129.07004	1.8
133.06496	2.2
139.03879	0.6
143.04857	0.5
147.04416	16.0
147.08060	2.7
149.06029	1.2
151.03899	7.0
157.06508	2.5
160.05173	1.2
161.04822	0.5
161.06000	5.8
162.02997	0.6
165.05496	7.0
169.94612	0.5
175.03909	1.0
175.07573	5.4
179.07079	0.8
185.05984	2.9
191.07031	2.2
193.05067	1.0
196.86006	0.5
203.07037	100.0
204.07376	1.1
207.06497	1.4
215.07095	1.2
227.71590	0.4
233.08121	1.4
234.11276	6.7
276.45435	0.5
303.08664	3.6
355.11761	49.5
356.12228	0.7
386.15985	28.2
387.16275	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1707
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	3.3
53.74923	3.0
54.01177	3.2
55.01850	4.7
55.05497	2.9
56.42641	3.0
56.96572	6.9
57.03434	11.8
59.04999	3.2
61.02921	9.0
69.03440	40.3
69.98763	10.4
70.06599	18.9
71.01381	4.8
73.02916	3.2
73.06558	31.1
79.05492	4.3
81.03430	8.9
83.47377	3.8
85.02439	6.1
85.02917	100.0
87.04483	29.3
89.03907	13.1
91.03949	5.7
91.05521	3.3
97.02896	51.6
98.97593	13.0
105.07031	8.8
107.04973	16.2
109.02872	8.2
115.03944	41.0
116.98611	4.9
117.03398	10.0
120.08127	4.2
121.06538	4.0
122.06090	4.3
122.81178	3.3
123.04504	6.0
127.03912	28.0
128.98567	6.1
133.04997	44.9
133.06505	8.2
135.04430	12.6
137.05930	3.9
143.00179	5.2
145.02850	10.7
145.04971	44.3
149.27078	3.6
161.06026	10.0
163.03925	86.1
163.05969	16.7
164.04344	5.1
167.07076	5.6
193.08592	10.0
214.05988	4.0
219.01810	6.5
229.00119	4.5
237.02892	8.8
251.09103	6.5
253.12845	8.1
342.01978	3.3
347.86874	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.032
Annotation	Unknow
Peak:m/z	Relative Intensity
51.75361	0.3
55.02150	0.4
56.96513	0.9
70.15509	1.6
71.95204	0.6
93.54825	0.4
98.97585	19.0
100.97121	0.4
101.00880	2.7
116.98615	7.7
117.91630	0.4
119.01926	4.7
134.99669	2.1
137.02902	0.6
158.99808	1.5
175.02911	0.5
177.00952	12.6
182.99812	1.3
201.00935	3.4
216.98849	0.4
217.04010	2.9
219.02007	20.6
220.02043	0.5
225.00862	3.2
225.02487	0.3
234.99992	0.5
236.99829	0.5
240.98767	1.0
242.98816	0.7
242.99200	0.5
243.01988	12.1
244.02167	0.6
255.44249	0.4
258.99817	7.7
259.99918	2.2
260.99814	6.9
261.03055	100.0
262.03195	3.8
264.98819	0.7
277.00854	7.4
278.01108	1.7
279.00632	5.9
282.99963	4.7
284.00159	0.8
284.04730	1.4
284.99731	1.2
301.01019	4.3
302.01285	0.4
303.00888	1.0
319.98734	0.5
325.00891	0.5
343.02151	2.2
367.01935	2.3
385.03308	20.3
386.03555	0.9
403.04593	18.4
404.04617	0.6
408.04788	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	384.1503
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.7
55.01870	5.2
55.05505	6.9
56.96568	4.3
57.03443	6.6
59.05001	5.2
60.04516	4.2
61.02910	8.6
67.05499	8.5
69.03432	10.1
69.07061	4.1
70.06605	3.6
71.04997	3.8
71.52844	3.0
72.08154	2.6
73.02914	2.5
79.05486	10.2
79.32093	2.4
80.05024	3.0
81.03401	7.2
81.07059	11.5
83.04979	4.6
84.04504	72.6
85.02904	14.7
91.05482	6.3
93.07043	7.3
95.04991	3.0
95.08600	6.4
96.04504	15.8
97.02897	15.2
97.06525	3.8
97.10188	3.2
98.06041	7.3
98.97581	7.3
99.04473	4.0
100.11250	2.8
105.07015	6.9
107.08559	3.9
109.02855	7.7
109.10135	6.2
111.08115	2.3
117.05012	2.3
117.75183	2.5
119.08572	5.8
121.06538	4.7
121.10124	4.4
123.11726	2.9
126.05524	95.1
127.03896	4.7
127.07595	2.6
131.08559	3.7
133.10164	2.9
133.72804	2.4
137.09708	2.4
138.05508	100.0
139.03821	2.7
144.06554	22.5
158.99661	3.1
168.06567	28.5
177.00804	2.6
186.07619	25.0
204.08708	79.6
204.10629	3.9
221.08026	3.1
222.09912	12.3
233.08192	3.3
245.19157	2.4
274.18765	3.0
292.20044	5.0
328.65521	9.6
336.09631	2.7
366.14276	4.5
384.11362	5.1
384.18579	3.7
384.27814	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	384.1501
Annotation	T-disaccharide
Peak:m/z	Relative Intensity
51.73424	1.5
52.34892	1.8
53.03941	2.5
55.01870	2.3
55.05518	2.4
56.96550	3.1
60.04496	3.4
61.02914	4.3
67.05487	7.4
69.03414	5.7
69.07045	1.9
70.06570	3.2
71.52545	2.6
73.02903	2.0
79.05485	2.6
81.03398	6.4
81.07037	4.0
83.04936	2.0
84.04502	70.2
84.44870	1.7
85.02901	11.4
85.04781	1.7
91.05482	3.9
92.21367	1.7
93.07041	2.7
95.04956	2.3
95.08598	3.0
96.04481	13.9
97.02890	8.3
97.06516	3.1
98.06033	7.7
98.97555	2.7
105.07084	1.9
107.08598	3.0
108.08912	1.7
109.02853	5.2
109.10156	4.7
110.10478	4.1
117.88690	1.6
121.98399	1.8
126.05519	78.3
127.03881	3.8
132.04385	1.8
138.05501	100.0
144.06558	17.1
163.03888	4.2
168.06554	23.3
181.23169	1.8
186.07648	20.8
204.08685	83.6
222.09700	7.9
294.87463	1.6
366.13828	5.4
384.23514	2.6
384.27792	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	384.0799
Annotation	Unknow
Peak:m/z	Relative Intensity
58.87780	2.6
59.43172	2.9
60.41582	2.6
69.03410	2.5
71.52330	4.4
72.61598	2.3
72.90802	2.4
75.00338	2.2
85.02901	7.7
89.03941	2.5
89.98795	2.4
116.04704	5.3
127.03925	3.7
135.04437	5.7
160.03668	5.6
163.03880	22.6
164.04225	3.8
191.04028	3.3
207.05231	4.0
235.06737	3.0
263.12137	2.4
277.07571	2.9
278.07898	6.1
279.07413	3.5
384.08246	100.0
385.08301	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	384.1153
Annotation	Succinyladenosine
Peak:m/z	Relative Intensity
55.01852	1.9
56.96549	1.3
57.03417	2.3
61.02904	0.6
67.02410	0.5
69.03424	1.7
69.49725	4.2
70.06577	1.8
73.02917	1.0
85.02888	2.5
89.03924	1.2
95.02341	0.5
97.02883	0.7
112.97106	0.6
115.03889	0.9
117.03323	1.2
121.05120	1.5
135.04419	1.9
135.06621	1.7
136.06198	18.8
137.04523	1.1
143.00134	0.7
145.02847	0.9
148.06180	7.1
155.05627	0.7
160.06213	0.7
161.05995	0.9
162.07761	39.4
163.03905	7.6
164.04256	1.5
167.60408	0.6
177.05498	0.7
188.05661	13.3
188.07166	0.7
191.05132	0.6
192.03465	1.2
192.05182	19.7
203.07072	0.7
206.06763	7.7
234.06244	11.2
237.02742	0.7
252.07301	100.0
253.07430	1.2
255.01711	0.6
298.14804	0.8
329.01935	0.6
367.13010	0.8
384.11533	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	383.2584
Annotation	C25-Epoxy-apo-aldehyde
Peak:m/z	Relative Intensity
52.48688	3.7
53.03942	4.2
55.05504	18.0
56.28529	3.7
56.96577	5.4
57.07076	9.5
59.05014	4.5
61.02919	4.2
67.05515	70.1
69.03433	11.8
69.07059	11.9
71.05003	6.0
71.94195	3.8
79.05497	23.1
81.07066	36.3
83.04986	5.1
83.08636	9.4
85.06539	5.4
91.05492	41.6
93.07046	65.6
95.04966	22.7
95.08600	35.1
96.04496	100.0
97.06541	11.8
105.06398	6.2
105.07048	62.3
107.04972	5.0
107.08606	37.9
108.87538	3.9
109.06534	23.9
109.10165	52.5
111.04431	6.6
111.08079	7.7
115.05450	4.4
117.07020	6.4
118.00416	4.1
119.04971	8.5
119.08584	44.3
121.06523	15.9
121.10168	40.7
121.63895	4.3
123.08096	20.1
128.06299	4.9
129.07011	9.1
130.07780	7.6
131.08588	22.4
133.06502	9.7
133.10149	18.2
134.07277	7.3
135.08090	17.4
135.11708	13.4
137.05969	10.8
137.09669	7.0
142.07805	11.6
142.88678	4.1
143.08594	16.6
145.10130	23.0
146.07281	5.8
147.08069	21.6
147.11653	14.1
149.09642	23.7
149.13339	5.5
150.50421	3.6
151.07504	27.5
155.08504	3.8
156.09372	8.0
157.10129	24.1
159.08125	8.4
159.11743	17.1
161.09624	15.8
161.13234	8.4
163.11206	7.7
165.09143	28.5
171.11632	5.1
172.12044	5.2
173.09671	10.4
173.11703	12.0
173.13185	7.3
175.11218	19.7
175.14784	4.3
177.09161	14.7
177.12790	3.9
178.10008	5.0
181.12311	8.3
183.11742	5.7
185.13274	13.7
185.16348	4.4
187.11229	7.1
189.12738	10.0
191.14430	4.8
195.11638	6.2
197.13272	6.0
199.15027	3.9
201.12776	9.8
203.14276	21.9
204.24879	4.0
207.13748	4.7
208.32387	4.7
213.12837	4.9
215.14262	9.4
219.13815	9.0
221.15390	67.8
225.16396	5.9
227.14461	5.9
231.13783	5.8
233.15387	6.2
234.16235	12.2
269.12451	5.6
286.19434	4.9
287.20038	4.5
299.20111	5.5
303.19583	9.3
349.27353	6.6
365.24936	10.3
383.12350	4.1
383.25723	77.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.2581
Annotation	C25-Epoxy-apo-aldehyde
Peak:m/z	Relative Intensity
53.03954	6.5
53.38668	2.9
55.05514	16.6
56.96565	3.2
57.07076	7.3
60.62780	2.7
63.39374	2.4
67.05502	27.3
69.03435	14.6
70.96024	4.7
70.96355	4.3
70.98122	4.9
71.04977	4.5
79.05497	28.6
81.06654	3.3
81.07068	31.6
83.04977	6.7
83.08618	4.7
85.06555	4.6
91.05478	36.4
93.07043	75.2
95.04966	24.8
95.08612	40.5
97.06528	12.2
105.07030	74.9
105.07584	1.7
107.08607	36.4
109.06534	20.0
109.10154	19.8
111.08065	10.4
117.07031	11.5
119.08589	50.3
120.09394	3.9
121.06491	11.0
121.10152	41.4
123.08064	22.2
123.11745	3.2
125.09634	3.1
125.87787	2.5
128.06201	8.9
129.07022	11.3
130.07794	2.9
131.08560	21.2
133.06493	10.1
133.10129	27.6
135.08083	20.3
135.11699	6.4
137.05988	3.8
137.09599	6.6
141.07011	5.3
142.07787	21.5
143.08582	20.9
144.09305	4.6
145.10130	37.0
146.07272	4.0
147.08040	20.7
147.11726	16.2
148.08771	3.8
149.09576	20.5
151.07547	40.7
155.08546	6.3
156.09367	6.4
157.10141	48.1
159.08034	8.3
159.11732	12.0
161.09639	20.3
161.13254	7.2
163.11156	7.1
165.09120	28.3
169.10132	6.6
170.10982	5.3
171.11703	6.1
173.09689	7.3
173.13222	8.5
175.11115	18.0
175.14857	8.3
177.09143	8.6
183.11658	5.6
185.13202	17.0
187.11189	8.3
189.12746	7.8
191.14310	3.5
193.21312	2.6
195.11708	3.2
197.09613	10.2
197.13225	8.5
199.11208	5.5
201.12823	7.2
203.14272	24.9
207.11925	4.1
207.13847	8.0
209.13303	3.8
209.15353	4.8
211.14891	4.4
213.12720	5.7
215.14288	7.9
219.13850	5.0
219.90100	2.6
221.15347	75.8
223.14789	4.0
227.14304	6.9
231.13702	4.3
233.15373	6.5
234.16190	8.5
237.14691	4.1
281.19110	4.5
286.19156	7.0
287.20026	6.9
299.19913	7.9
303.19562	9.4
309.18369	3.2
347.23834	3.2
359.61151	4.5
365.24796	18.1
366.39157	3.1
383.25793	100.0
383.30600	4.9
384.14667	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	383.2581
Annotation	C25-Epoxy-apo-aldehyde
Peak:m/z	Relative Intensity
52.96636	2.5
53.03930	5.1
55.01863	3.5
55.05511	18.5
57.03403	2.2
57.07072	7.7
59.04992	7.5
65.03931	5.9
67.05508	62.1
68.59325	2.1
69.03433	15.0
69.07061	7.8
71.04986	10.0
79.05495	25.8
81.07059	37.9
83.04964	8.0
83.08607	6.2
85.06556	7.1
91.05479	46.8
93.07043	86.0
95.04980	23.3
95.08059	3.6
95.08611	37.0
97.06541	15.5
103.05485	2.2
105.04565	3.8
105.07030	67.9
105.07697	4.7
107.04911	3.2
107.08599	46.1
109.06522	22.3
109.10161	47.0
111.08082	7.6
115.05500	2.4
116.06198	2.2
117.07005	11.2
119.08586	49.3
120.09403	3.0
121.06512	10.0
121.10143	45.1
123.08069	26.7
123.11713	2.7
125.09645	4.6
128.06253	6.9
129.06976	11.7
130.07802	5.5
131.08578	28.0
133.06480	5.7
133.10130	29.1
135.08055	23.1
135.11699	6.5
137.05948	3.0
137.09619	12.1
139.11060	2.6
141.07031	2.7
142.07800	16.3
143.08554	26.9
144.09352	5.4
145.06476	3.5
145.10127	41.9
147.08049	19.4
147.11665	14.4
149.09604	18.1
151.07535	33.2
153.09142	4.1
155.08601	8.4
155.10649	3.4
156.09355	7.9
157.10127	36.5
158.07239	2.1
159.07993	5.2
159.11694	13.5
160.08852	3.1
161.09627	17.9
161.13290	4.7
163.11230	6.7
165.09122	28.6
167.10695	2.6
169.10193	10.5
170.10922	6.9
171.11707	8.8
172.08823	3.0
173.09636	9.4
173.11781	8.2
173.13303	10.4
175.11215	14.7
175.14854	8.3
177.09140	9.3
178.09920	4.3
179.08536	3.3
181.12297	5.6
182.10922	4.3
183.11688	8.3
184.07384	3.3
185.13303	22.5
187.11203	7.4
187.14873	3.1
189.12755	10.8
191.14394	5.7
193.10211	2.7
194.10873	3.8
195.11662	4.3
197.13309	9.8
199.14870	3.0
201.12775	8.5
203.14299	23.1
207.11954	4.4
207.13855	10.5
209.13283	6.8
209.15305	5.3
213.12813	4.2
215.14380	9.4
219.13779	5.6
221.15372	62.1
223.14838	3.3
225.12767	3.5
225.16296	2.4
227.14337	8.0
228.99516	2.7
229.15907	3.2
231.13942	4.8
233.15439	6.1
234.16179	10.7
241.01860	2.3
255.99023	2.6
265.15942	2.7
273.18243	2.6
281.19116	2.8
286.19437	3.1
287.20078	9.6
299.20099	5.4
303.19623	6.3
309.18506	2.7
327.19482	2.8
365.24667	17.8
383.25763	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	383.2429
Annotation	Unknow
Peak:m/z	Relative Intensity
50.48759	0.5
55.05515	7.0
56.96566	0.7
57.03431	2.4
57.07050	1.0
59.04995	4.4
59.88689	0.6
61.00465	0.5
62.38909	0.5
63.71286	0.5
65.03936	2.0
67.05506	100.0
69.03424	1.1
69.07067	2.2
70.56885	1.3
71.04983	3.8
79.05495	3.1
81.07060	16.1
81.42585	0.6
83.08619	6.5
85.02894	1.0
85.06539	3.0
91.03916	0.6
91.05483	6.8
93.07056	4.0
95.04953	1.3
95.08605	5.2
97.02911	0.8
97.06577	0.9
98.97607	0.8
99.04478	0.7
99.08118	0.7
105.07023	1.0
107.08600	2.3
109.10159	76.4
109.28577	0.6
111.08100	3.9
117.07022	1.0
119.08591	5.7
119.18263	0.5
125.09654	0.9
127.11233	0.6
131.08524	0.8
133.10161	0.8
137.09595	3.8
147.11700	0.6
155.10664	7.2
163.03929	1.0
173.11746	27.0
189.09010	0.6
200.84834	0.5
203.14340	0.7
221.07997	0.6
229.14301	0.7
255.09129	1.3
261.09882	0.6
269.10657	0.8
272.80981	0.6
273.18515	0.7
285.10074	1.0
287.11618	0.7
291.19424	1.2
337.12924	0.8
347.31216	0.6
383.24319	53.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.2583
Annotation	Unknow
Peak:m/z	Relative Intensity
51.24754	2.1
53.03936	9.2
55.01863	3.6
55.05512	16.3
57.03423	3.9
57.07063	8.2
57.22754	2.1
59.04985	7.4
59.05261	2.1
61.02910	2.5
65.03952	2.1
67.05508	40.4
67.05851	4.6
69.03430	14.7
69.07063	8.4
70.56573	6.0
70.56922	1.9
71.04997	6.7
77.03923	2.2
79.05489	27.8
81.03435	3.0
81.07063	34.8
83.04984	8.8
83.08614	4.6
85.06548	7.1
86.83475	1.9
91.05472	41.9
93.07043	97.5
95.04957	26.8
95.08609	34.6
97.06534	14.4
103.05486	4.1
105.04569	2.6
105.07034	70.5
107.04945	2.5
107.08592	42.1
109.06523	21.7
109.10161	27.7
111.08076	7.6
111.60378	2.0
115.05453	4.1
115.15574	2.0
116.06248	4.6
117.07022	7.2
119.08584	43.7
121.06506	10.6
121.10152	44.6
122.07311	2.4
123.08066	31.2
124.34636	2.0
128.06221	7.2
129.07014	12.3
130.07788	3.6
131.08560	28.9
133.06479	8.8
133.10115	27.5
135.08058	21.8
135.11710	6.3
137.05971	4.4
137.09637	11.6
142.07796	18.7
143.08568	24.0
144.09372	6.2
145.06439	4.2
145.10120	35.1
147.08015	23.0
147.11711	18.6
148.08826	4.6
149.09627	33.3
151.07538	36.3
153.09102	2.4
155.08540	4.5
156.09343	8.9
157.10121	42.8
159.08060	10.0
159.11719	14.0
161.09610	15.2
161.13266	9.9
163.11212	8.6
165.09132	36.2
169.10147	6.3
170.10968	6.6
171.11711	8.7
173.09702	12.5
173.11804	4.3
173.13292	10.0
175.11192	18.5
175.14850	6.6
177.09143	13.8
179.08505	3.5
182.10970	3.0
183.11620	6.0
185.13318	13.9
187.11214	4.7
189.12708	11.6
191.14304	3.9
194.11015	3.9
195.11761	4.8
196.12567	2.7
197.13283	7.9
199.14824	3.7
201.12778	9.3
203.14310	28.6
207.11977	2.9
207.13788	12.0
209.13268	6.5
209.15289	4.7
211.14871	5.0
213.12614	3.3
215.10341	2.5
215.14365	5.7
216.15158	3.1
217.12181	2.5
219.11824	2.6
219.13863	7.3
221.15366	86.3
225.12790	2.5
225.16396	2.7
227.14354	7.7
229.12299	2.4
231.13817	4.3
233.15364	6.3
234.16139	18.6
243.13869	4.0
253.15714	2.8
271.16907	2.7
286.19556	4.5
287.20020	8.3
299.20187	6.1
303.19641	6.6
309.18527	3.1
347.23581	3.8
365.24838	15.0
383.25769	100.0
383.30658	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	383.2429
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	0.5
55.05516	8.4
56.96579	1.2
57.03435	2.5
57.07074	1.2
59.05003	4.7
61.02911	0.7
65.03954	1.9
66.06329	0.5
66.32116	0.4
67.05508	100.0
69.03438	1.0
69.07082	2.5
70.03581	2.2
70.06598	0.6
71.04988	3.4
73.02918	0.6
79.05495	3.2
81.03432	1.5
81.07059	15.5
83.04976	0.5
83.08621	7.0
85.02905	1.0
85.06545	3.3
91.05488	8.8
93.07047	4.8
95.04951	1.0
95.08606	6.7
97.02920	1.3
97.06534	0.6
97.10194	0.6
98.97589	1.4
100.91892	0.5
105.07055	1.6
107.04960	1.3
107.08611	3.7
109.06512	0.7
109.10159	78.7
111.08077	3.4
113.06052	0.6
117.07050	1.1
119.08585	6.8
121.10161	1.0
123.11704	0.8
125.09570	0.6
127.11180	0.8
127.96159	0.5
131.00188	0.7
131.08575	0.8
133.10124	1.2
135.11670	0.9
137.09622	4.6
141.07088	0.5
145.10149	0.7
147.11688	0.8
149.01242	0.6
155.10663	7.2
157.10173	0.9
159.06841	0.5
163.03897	0.7
173.11746	26.5
182.15369	0.9
183.15764	0.9
185.26555	0.6
217.07381	0.5
229.07512	0.7
243.09123	1.0
255.09084	0.9
259.30994	0.5
267.09052	1.0
285.10156	1.0
287.11795	0.9
291.19370	0.7
345.91129	0.5
349.15814	0.8
365.23450	0.6
383.24292	49.8
384.24814	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.1451
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	1.7
56.96554	7.5
57.03434	4.7
61.02913	6.2
69.03433	9.8
70.02931	1.9
70.08183	1.7
71.40187	3.6
71.50525	1.6
72.52281	1.6
73.02919	2.6
74.02453	2.4
81.03406	5.4
85.02425	3.1
85.02905	32.0
89.03918	10.5
97.02894	8.6
98.97597	4.8
99.04427	2.2
103.03970	2.1
104.55298	1.6
107.04974	3.3
109.02859	3.0
117.03384	8.2
118.06522	5.5
121.06470	2.0
124.99103	4.4
127.03905	4.8
130.06526	57.5
130.07506	3.1
132.04468	12.6
132.08061	6.4
135.04431	12.9
136.04721	1.8
136.06221	2.6
140.77228	1.7
142.06522	2.7
143.00156	5.7
144.06990	3.0
144.08072	23.6
145.02795	9.6
145.05092	2.3
145.07613	20.5
146.06023	10.6
148.07552	4.7
154.06480	5.0
156.08055	5.8
157.07616	61.0
158.06007	45.4
158.08211	2.0
159.09169	9.3
160.07530	4.8
161.01241	2.8
163.03906	73.9
164.04234	6.9
168.86850	1.7
169.07607	7.8
170.06029	2.9
170.08336	3.3
170.99762	2.1
171.06825	1.7
171.09195	9.0
172.07567	10.7
174.05521	5.8
175.08664	60.0
181.07611	2.7
182.08443	4.6
183.09181	16.2
183.62401	2.0
184.06264	2.1
184.07687	2.3
185.07127	9.5
186.05486	4.1
187.08691	1.9
188.07072	2.4
196.07619	3.3
199.08647	11.5
200.07074	19.2
201.10165	2.1
203.08156	100.0
207.09081	2.5
209.07071	10.0
212.06256	3.6
213.00674	1.9
215.08174	5.2
216.08882	2.6
217.09705	32.9
221.09219	48.1
227.08176	11.4
228.06602	2.8
231.07693	4.9
238.08559	1.8
245.09256	22.7
249.02792	3.3
251.08997	4.7
257.09164	2.2
263.10284	49.1
267.03900	3.5
274.10956	2.1
287.10172	2.9
290.59900	2.0
291.03943	3.5
294.49152	1.7
299.10428	8.0
309.04977	2.9
329.11334	5.4
347.12418	13.4
348.10956	9.2
365.13486	36.3
383.08618	3.7
383.14432	37.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	382.2743
Annotation	Unknow
Peak:m/z	Relative Intensity
50.96484	0.7
53.03939	0.8
55.05518	3.8
56.96560	1.4
57.07077	0.9
61.02901	0.9
67.05507	9.7
67.37836	0.6
68.05013	2.4
69.07082	5.4
69.26817	6.7
70.06596	11.0
78.29845	0.8
79.05498	5.7
79.38338	0.7
81.07059	6.4
83.08608	2.2
85.02898	1.1
91.05482	6.7
93.07047	6.5
94.06587	1.0
95.08596	5.5
96.08124	3.1
97.02847	1.2
97.06548	0.7
98.97561	0.6
100.07629	4.5
105.07039	15.2
107.08588	5.5
108.08139	2.0
109.10175	7.0
114.05518	2.6
116.07101	8.4
117.07043	2.0
119.08588	14.0
120.08107	2.9
121.10151	5.2
122.09686	2.0
123.11717	2.9
128.06267	0.9
128.07068	5.6
129.07011	1.9
131.08545	4.0
133.10139	7.6
134.09615	1.2
135.11714	1.8
136.11218	0.9
142.07774	1.1
143.08568	3.0
144.09363	1.1
145.10138	7.2
146.09622	1.2
147.11700	2.7
148.11206	5.5
148.46117	0.7
150.86899	0.8
151.06291	1.2
154.08618	1.3
155.08589	1.6
156.09413	1.1
157.10172	3.1
159.11736	4.1
160.11180	1.5
161.13290	1.2
166.08722	1.2
168.10222	18.3
169.10178	2.0
171.11668	4.1
173.11787	1.7
173.13261	2.2
175.14841	2.6
177.16411	2.1
178.08649	4.7
183.11681	1.6
185.13309	2.7
186.12943	0.8
187.14822	1.0
188.14465	0.8
189.16449	1.4
192.10211	2.7
194.11783	11.1
197.13319	1.5
199.06339	0.8
199.14859	1.3
201.16376	1.3
206.11780	1.4
206.91035	0.9
208.13394	1.2
211.14888	2.0
220.92236	0.8
229.07506	2.1
230.07973	0.8
234.14848	1.7
237.16441	1.7
246.14880	1.0
247.08594	1.5
267.21045	1.2
269.22784	0.9
290.21094	4.4
296.10327	2.6
331.03769	0.8
349.16806	0.8
382.27417	100.0
383.23773	0.9
383.27933	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	382.2741
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	2.5
56.96564	1.3
57.03423	0.9
61.02896	1.0
67.05507	8.8
68.05025	2.4
69.07071	7.3
70.06591	11.7
71.04948	0.9
71.52636	1.4
79.05470	3.9
81.03429	1.0
81.07056	6.7
82.66437	0.7
83.08614	2.3
91.05470	6.4
93.07031	8.0
94.06580	1.4
95.04968	1.1
95.08612	7.1
96.08131	2.1
97.02876	0.9
100.07653	4.4
105.07030	15.6
106.10004	0.8
107.08598	6.4
109.10165	6.4
114.05537	5.0
116.07080	6.3
116.28187	0.7
117.07006	2.2
119.08580	13.1
120.08092	3.3
120.08870	0.9
121.10151	4.7
122.09659	2.8
123.11680	1.2
128.06273	1.1
128.07088	5.5
129.07024	1.3
131.08578	4.7
133.10152	6.2
134.09592	1.1
135.11673	1.1
136.11232	1.8
142.07785	1.3
143.08580	3.5
144.09322	1.6
145.10123	7.2
146.09665	0.9
147.11708	2.3
148.11192	7.4
151.06265	0.9
154.08699	1.5
155.08586	1.4
156.09323	0.8
157.10170	3.7
159.11682	3.9
160.11150	1.1
161.13248	1.4
163.33247	0.8
166.08664	1.0
168.08884	1.4
168.10217	15.2
169.10127	2.1
171.11673	3.3
173.11797	1.6
173.13222	1.8
175.14812	2.7
177.16461	1.6
178.08632	5.8
183.11693	1.3
184.07379	0.9
185.13309	1.9
187.14775	1.4
189.16335	1.5
192.10210	2.5
194.11760	12.4
195.11626	0.9
197.13295	1.9
199.14761	1.1
206.11722	1.2
211.14859	2.7
225.16356	1.0
229.07491	2.9
230.07722	1.1
232.13385	1.2
234.14949	1.7
237.16393	1.7
267.21106	1.6
269.12247	0.9
290.21112	3.2
296.10336	2.0
338.20975	1.0
352.23059	0.9
382.27405	100.0
383.23868	1.4
383.28073	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	382.1709
Annotation	Unknow
Peak:m/z	Relative Intensity
52.59802	1.0
55.05499	1.2
56.96561	1.8
57.03435	6.1
67.05499	2.0
67.70932	0.9
69.07071	100.0
70.06599	8.2
71.52331	1.0
72.08141	3.9
73.02907	2.2
73.06550	4.1
73.92739	1.0
75.04470	2.7
79.05498	1.5
81.07061	1.9
84.04472	0.9
84.08202	1.1
85.00884	1.0
85.02915	7.2
86.09698	2.9
89.03924	2.5
91.05469	5.3
91.55747	1.0
93.07034	2.0
95.01323	6.7
95.08598	1.5
96.08148	1.1
96.81121	0.9
97.02879	1.6
97.06515	7.7
98.97583	4.3
106.07275	0.9
113.02374	2.9
115.07574	38.0
116.07020	1.1
116.98646	1.0
117.03368	4.4
119.04980	1.2
119.08589	1.1
120.04452	3.1
123.04440	1.6
124.07536	1.2
131.05014	1.2
134.06030	1.3
136.07596	2.1
137.05954	1.3
138.05478	1.3
141.01828	12.0
145.02823	7.3
146.05984	1.6
149.06015	1.1
153.05644	1.4
154.00272	1.0
157.32433	1.0
158.99646	1.2
163.03879	3.2
164.07037	3.2
165.05510	1.5
167.81029	1.0
171.10168	71.7
174.95323	1.0
177.00734	1.0
177.05476	13.0
177.07777	5.5
189.11223	38.7
191.07001	1.8
206.10355	3.8
218.75543	1.1
219.01758	1.3
232.11877	1.4
237.02783	1.7
250.12990	4.0
262.04266	1.6
287.46805	1.1
302.17575	3.4
309.06485	1.4
320.18555	28.0
327.07495	3.2
329.12170	1.3
347.13278	4.5
351.07626	1.8
364.21255	8.4
369.08591	1.8
382.08862	1.8
382.18616	1.6
382.22580	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	382.171
Annotation	cis-zeatin-9-N-glucoside
Peak:m/z	Relative Intensity
53.03934	1.3
56.96559	1.8
57.07064	1.3
59.05000	2.1
61.02919	1.0
67.05503	2.9
69.03413	1.8
69.07059	3.4
70.06582	1.3
71.00787	1.4
71.01112	1.3
72.04520	7.4
73.02894	2.0
76.13163	1.0
81.03387	1.0
85.02904	5.0
85.06534	3.8
86.09690	1.4
86.59798	0.9
88.07618	1.5
89.03924	4.8
90.05558	59.0
95.04961	3.7
97.02875	1.9
98.02416	8.9
103.07575	4.6
107.04948	1.1
116.03440	6.9
117.03374	3.4
120.08109	1.0
121.06500	1.2
124.07594	9.9
127.03918	1.0
135.04404	8.3
142.08656	3.9
143.00206	1.2
145.02844	4.1
153.07504	1.0
160.09749	1.3
162.50587	1.0
163.03903	30.0
164.04236	2.0
174.11299	1.3
175.68593	1.1
184.09666	11.7
202.10754	22.2
202.12550	2.2
220.11815	100.0
242.39598	1.1
252.97945	1.2
257.28592	1.3
285.74216	1.5
295.82315	1.1
328.15857	1.3
399.48169	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.1909
Annotation	Maoyecrystal D
Peak:m/z	Relative Intensity
55.01879	4.7
55.05510	3.9
56.96553	5.5
57.70271	2.4
65.49496	2.2
67.05501	4.9
69.03416	3.6
69.85385	12.3
71.05006	3.1
77.39925	2.4
79.05512	11.8
79.79961	2.6
81.03407	3.3
81.07034	13.6
83.04982	5.4
89.03895	5.1
89.59170	2.5
91.05484	23.7
93.07038	14.4
95.04967	4.3
95.08617	5.4
97.06536	5.1
99.37963	2.4
105.07028	33.2
107.04942	4.0
107.08574	11.6
109.06506	8.5
111.04448	6.8
115.05479	3.7
116.06211	2.7
117.03349	3.5
117.07019	10.6
117.23064	2.9
119.04935	2.8
119.08597	18.9
121.06496	16.5
121.10193	3.7
123.04412	3.9
123.08057	6.7
125.06007	18.1
128.06247	3.3
129.07008	11.3
131.08585	14.9
133.06488	16.7
133.10126	7.8
135.04410	10.0
135.08055	10.6
137.05974	6.9
139.07503	2.7
141.06995	8.7
143.08569	14.0
145.02806	5.6
145.05203	2.3
145.06444	7.3
145.10139	9.3
147.04359	2.5
147.08049	21.0
147.11725	4.1
149.05936	6.4
149.09615	7.8
151.07597	12.6
153.07054	2.7
155.08559	17.5
157.10132	14.4
158.99937	2.5
159.08107	13.4
161.05981	42.7
161.09630	9.2
163.03914	30.1
163.07599	3.1
165.02078	2.9
165.06918	3.8
166.07823	2.5
167.08517	6.0
168.09259	2.4
169.10078	13.3
171.08058	5.3
171.11639	3.9
173.05997	3.9
173.09642	18.0
175.07584	5.6
175.11234	5.1
177.05423	7.8
179.08591	8.3
181.10147	12.1
182.11009	2.1
183.08119	3.3
183.11617	13.2
185.09601	6.2
185.13208	5.0
187.07600	7.0
187.11082	3.2
191.08617	5.1
192.09352	3.0
193.10220	12.0
194.10921	3.4
195.11769	16.1
197.06007	3.2
197.09645	11.1
197.13281	10.5
199.07535	6.0
199.11154	4.1
201.09074	6.6
205.10184	4.3
206.10948	5.4
207.08784	4.9
207.11681	7.5
209.09663	4.4
209.13223	8.4
210.10440	3.0
211.11263	15.2
211.14813	11.0
213.09097	5.7
213.12773	4.5
219.11717	4.6
221.13242	16.6
223.11192	10.0
224.11891	2.4
225.09102	6.5
225.12704	16.3
227.10684	3.2
235.11089	6.3
235.14799	12.6
237.00681	4.0
237.12817	13.6
239.10732	4.9
239.14279	23.1
241.12051	3.1
243.13632	3.8
245.13278	6.6
247.11256	3.2
249.12793	5.9
250.09958	3.6
251.10503	3.7
251.14284	2.7
253.09599	4.7
253.12221	20.1
253.15831	31.9
255.01823	2.9
255.13670	4.8
257.15445	5.3
263.14322	27.5
265.12189	11.1
265.15802	2.5
267.13843	18.4
269.15323	3.7
271.13330	5.0
271.16983	6.1
281.12405	3.0
281.15369	77.5
283.13135	4.0
283.16821	3.2
285.14764	4.4
291.13785	17.5
299.13074	3.8
299.16382	58.7
301.17645	3.3
309.14822	58.9
317.17520	24.9
327.15912	100.0
335.18561	24.2
345.16946	65.0
363.18005	45.3
381.11630	3.0
381.19128	25.3
389.16531	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	381.1908
Annotation	Maoyecrystal D
Peak:m/z	Relative Intensity
53.03939	2.2
55.01870	4.5
67.05491	5.8
70.69220	4.3
70.69589	3.7
71.04994	2.6
79.03520	1.7
79.05478	11.4
81.07064	15.1
89.03954	2.1
91.05481	12.7
93.07045	13.7
95.04965	4.2
95.08611	9.0
97.06561	3.5
103.05415	2.3
105.07034	33.2
107.04987	5.1
107.08600	6.8
109.06512	7.4
111.08058	2.3
116.92293	2.0
117.07038	6.4
119.08595	13.9
121.06502	20.3
121.10132	2.8
123.08066	7.5
125.05986	19.4
128.06241	2.9
129.07002	6.1
131.08595	10.1
133.06522	11.0
133.10130	6.7
135.04427	5.4
135.08058	9.5
137.06052	4.8
138.29495	1.9
141.06982	6.7
143.08545	9.8
145.06500	8.3
145.10106	8.1
147.08043	18.6
149.06024	4.1
149.09624	7.2
151.07578	6.3
153.06963	2.2
155.08537	12.9
157.10139	9.1
159.08087	9.5
161.05984	41.2
161.09599	9.3
163.03970	13.1
163.07578	2.6
163.11183	2.3
164.86172	2.3
165.07016	2.4
167.08592	3.6
167.10748	2.2
169.08685	4.2
169.10143	13.3
171.08061	7.5
171.11739	3.3
173.09612	11.8
175.07605	3.0
175.11188	3.2
179.08583	5.2
180.09421	2.0
181.10121	6.6
183.08072	3.6
183.11650	9.3
185.09631	7.7
185.13301	2.0
187.07631	4.0
187.11124	2.9
192.09375	2.7
193.10176	5.3
194.10907	2.3
195.11707	7.9
197.06154	2.1
197.09645	10.9
197.13246	9.3
199.07495	4.6
199.11234	5.4
201.09096	3.1
205.10208	3.9
206.10950	2.6
207.11745	7.0
209.09702	3.3
209.13280	8.3
211.07361	2.2
211.11186	13.4
211.14830	6.9
213.09094	2.5
213.12740	6.0
219.11714	3.6
221.13222	14.3
223.11256	4.2
223.14752	2.5
225.09152	3.0
225.12756	8.0
225.16426	2.5
235.11232	4.6
235.14769	10.7
237.12671	6.1
239.10603	3.9
239.14349	24.0
241.12297	4.0
245.13298	6.1
248.11977	2.7
249.12726	4.5
251.10609	2.7
253.12236	9.4
253.15877	21.5
257.15433	4.1
263.10861	2.3
263.14349	16.5
267.13824	21.2
269.15372	2.4
271.13412	3.9
271.16934	10.8
281.12097	4.3
281.15350	51.4
283.16943	2.1
285.14847	4.7
291.13840	8.3
299.12839	5.9
299.16364	45.8
309.14874	33.2
315.15808	2.2
317.17465	37.9
317.20920	3.5
327.15915	100.0
335.18588	26.2
345.16989	63.7
363.18051	59.6
364.17844	2.0
381.19012	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	381.1908
Annotation	Maoyecrystal D
Peak:m/z	Relative Intensity
55.01874	3.7
56.96560	2.8
56.97677	2.5
62.91915	2.6
66.61497	2.4
67.05497	6.8
69.20122	5.7
69.20534	20.8
73.13924	2.5
77.41827	2.5
78.35555	2.6
79.05498	11.9
81.07063	16.9
81.07462	2.5
83.04967	3.9
85.02879	3.9
91.05476	19.7
93.07043	21.9
95.04962	6.7
95.08592	8.1
95.52784	2.8
97.06524	4.2
105.07030	31.3
105.10643	2.9
107.04965	4.5
107.08595	10.9
108.17562	2.5
109.06541	7.1
116.95443	2.9
117.03387	3.8
117.07034	8.2
119.08584	19.2
121.06524	14.7
121.10148	2.8
123.08071	9.2
125.06010	17.7
129.06999	9.6
131.08580	14.5
133.06500	13.5
133.10133	12.0
135.04463	3.9
135.08041	13.9
137.05992	8.2
141.07039	5.3
143.08553	15.0
145.02885	3.0
145.06503	9.2
145.10126	10.9
147.04417	4.1
147.08047	20.8
149.05997	5.7
149.09636	8.9
151.07516	7.8
155.08577	10.3
156.47720	2.8
157.10158	9.9
159.08060	14.7
159.11804	3.6
161.05977	46.3
161.09647	10.1
163.03947	15.9
163.11179	3.1
165.07065	4.0
167.08614	4.0
169.06535	4.5
169.08774	5.1
169.10040	14.9
171.08070	10.7
171.11722	4.6
173.06013	5.7
173.09650	10.2
175.11264	3.6
179.08566	8.2
180.09334	4.3
181.10100	8.3
183.08057	7.7
183.11719	12.8
185.09630	11.0
187.07579	5.8
187.11205	3.1
192.09389	4.6
193.10106	11.6
193.30704	2.9
195.08109	3.1
195.11716	10.3
197.09593	13.5
197.13336	13.9
199.07530	6.4
199.11209	5.0
201.09128	5.4
205.10188	4.5
206.10928	7.2
207.08768	5.4
207.11708	7.0
209.09624	5.2
209.13281	7.9
211.11134	13.4
211.14784	14.7
213.09137	4.0
213.12711	5.2
219.11577	3.5
221.13269	16.0
223.11191	7.5
223.42410	2.9
224.12006	3.3
225.12715	13.6
227.14331	3.7
235.08250	6.1
235.11232	4.1
235.14832	10.8
236.94783	2.9
237.12692	6.0
238.13449	3.0
239.10751	4.0
239.14337	27.1
241.12282	3.2
245.13280	5.1
249.12843	7.2
253.09645	2.9
253.12250	12.7
253.15929	28.7
257.15320	6.2
263.14349	17.6
265.12277	3.8
265.15613	2.6
267.13818	25.4
271.13382	5.0
271.16922	10.5
281.15347	68.3
285.14935	6.9
291.13840	11.1
295.09134	3.0
299.12836	7.7
299.16388	63.4
301.18137	5.2
309.14886	48.8
317.17459	32.4
327.15924	100.0
335.18445	21.9
345.16971	75.5
363.18045	72.6
381.13870	3.8
381.18875	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	381.0795
Annotation	Unknow
Peak:m/z	Relative Intensity
50.59248	2.4
69.44762	1.7
69.64220	2.8
69.64629	8.7
71.42094	1.8
98.21528	3.7
100.14841	2.1
101.52655	2.1
106.99265	2.0
111.48313	1.9
140.32825	1.8
165.09404	2.0
167.73494	2.1
201.01633	2.1
219.02679	3.7
381.07974	100.0
382.08185	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	381.1677
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03959	9.9
55.05499	25.6
56.96570	69.9
57.03436	14.0
61.02925	26.8
65.82300	7.4
67.05499	54.5
69.03427	25.5
69.07051	11.6
71.01339	10.1
71.04977	19.2
71.52188	16.9
71.95223	9.3
73.02920	19.9
79.05516	19.5
81.03419	35.7
81.07065	39.5
83.04957	14.5
83.08630	12.9
85.02912	51.9
91.05496	31.9
93.07043	38.5
95.01333	23.8
95.04946	16.8
95.08606	17.9
97.02885	25.7
97.96773	9.6
98.97598	18.5
103.03951	12.2
105.07025	33.1
107.04947	9.4
107.08615	27.9
109.02869	17.2
109.06495	13.2
109.10183	26.5
117.06996	15.8
117.73383	8.1
118.75674	8.5
119.08584	26.4
121.10173	10.3
123.08052	10.0
125.09633	13.0
127.03911	38.8
131.08562	14.9
132.24211	8.4
133.10114	17.1
141.01781	42.1
145.04959	20.2
145.10204	21.7
147.11816	8.7
153.05504	22.8
158.99518	9.3
159.11702	13.9
173.04813	7.7
175.11215	9.6
185.10338	11.8
187.05991	48.4
189.04387	11.6
196.40244	8.1
199.06462	25.5
205.07127	29.3
217.07365	9.0
225.08101	11.8
225.16400	9.0
229.07381	40.2
237.08949	14.5
243.09077	32.7
247.08488	26.8
255.09171	9.4
257.10696	12.8
267.09076	26.8
269.10611	17.2
270.60818	9.2
279.09811	17.3
285.10089	33.8
287.11777	11.3
289.17978	23.8
293.49695	10.2
299.11774	9.6
301.13016	10.8
315.16788	8.3
335.27905	10.3
363.21744	10.6
364.16434	17.4
381.16815	100.0
381.23608	17.7
393.19202	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	381.0794
Annotation	Unknow
Peak:m/z	Relative Intensity
54.25001	1.8
70.95753	4.2
78.93210	1.9
98.68172	2.2
104.20884	2.2
127.30388	2.0
213.31798	2.1
381.07968	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	381.0785
Annotation	Unknow
Peak:m/z	Relative Intensity
50.66615	2.0
53.03937	3.4
54.87286	1.7
55.01863	1.8
58.99578	15.7
65.03962	9.3
67.05506	8.6
69.07065	2.7
69.79347	2.8
69.79758	7.4
70.06578	2.3
72.08132	4.4
73.02906	2.6
74.00664	47.5
74.02454	2.1
76.02225	24.2
77.00649	1.8
79.05488	3.5
81.03440	2.7
81.07075	2.7
83.04979	3.0
84.08142	3.6
85.02906	4.9
85.67513	1.7
86.00662	9.0
86.99053	16.3
88.04000	10.1
91.05490	9.5
92.01702	3.2
93.03407	14.5
93.05769	3.2
93.07037	3.1
94.06563	5.1
95.04974	45.6
95.08609	5.1
97.01102	12.8
102.00122	2.4
105.00103	13.1
105.03394	6.7
105.07046	5.1
107.04958	2.1
107.08597	2.2
109.01112	17.3
109.10175	3.5
111.04446	5.4
118.06516	4.0
119.04962	2.9
119.08572	2.5
120.01163	64.6
120.04465	3.1
121.02868	32.8
121.06489	2.2
121.10195	2.8
122.02727	44.1
123.02637	8.2
123.04437	7.1
125.00572	18.1
132.01126	11.8
132.99539	7.9
133.10153	2.6
135.02646	24.9
136.06255	3.0
136.07565	6.3
137.00549	9.1
137.04593	2.4
138.05489	8.5
139.03911	21.3
143.01622	5.6
145.10133	3.4
150.03676	8.7
151.02156	7.7
152.05362	3.6
153.00056	55.7
155.01604	3.1
159.11728	2.0
160.02235	1.9
161.09584	2.1
162.92252	1.8
163.03947	2.5
164.07059	4.5
169.03200	3.2
170.02710	24.6
171.01138	5.9
178.03201	13.4
179.01640	14.0
180.10216	5.4
181.03230	8.1
183.17543	1.7
194.02609	2.0
196.04294	25.8
197.02672	15.8
198.05872	2.2
214.05360	7.0
224.03757	8.8
225.02174	34.6
242.04828	95.8
243.03252	6.6
249.10904	2.2
260.05890	49.7
261.12656	2.2
265.50888	2.1
283.35907	1.7
292.03027	9.2
300.03519	2.2
301.01917	2.3
318.04712	19.9
335.07278	4.3
336.05719	6.0
345.05792	1.8
346.04129	3.8
347.02530	3.3
357.05716	1.9
363.06921	9.6
364.05228	23.1
381.07852	100.0
381.14780	9.1
381.19077	5.8
381.23126	8.2
382.08234	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	379.1002
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13541	1.1
56.52105	0.9
57.24400	0.8
65.48735	0.9
68.76869	0.9
70.78860	1.0
70.79181	1.6
91.05495	2.9
94.31181	1.0
95.04944	1.1
101.23891	0.9
119.01949	1.3
122.06052	1.2
140.07104	1.5
142.08559	1.1
161.04712	1.1
163.03925	1.3
168.50104	0.9
185.73787	1.1
188.03421	6.6
206.04395	1.6
224.16446	1.0
227.05145	1.3
228.06247	1.2
260.11478	1.2
271.04254	3.1
293.09995	2.8
329.11285	5.6
335.11020	25.5
347.12311	1.2
359.06445	1.2
361.14017	1.7
379.09988	100.0
380.10507	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	380.1859
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02379	0.9
53.03957	3.4
55.11854	0.4
70.69147	1.0
77.03953	1.2
78.03438	2.0
79.05534	0.5
81.03442	0.5
91.05486	3.3
95.04963	1.7
96.04500	100.0
105.04509	1.2
105.07037	4.9
107.04958	1.0
112.43105	0.4
115.05476	2.1
119.04953	20.7
128.06219	2.7
129.07019	20.9
131.04962	0.5
133.06512	6.3
134.07283	23.0
136.07594	5.2
141.07011	3.9
153.06975	0.7
155.06015	0.6
157.06505	3.2
159.08101	0.5
165.07021	0.7
166.07797	0.7
169.06500	0.5
170.07338	1.4
171.08075	1.6
174.10307	0.5
181.06503	1.9
181.10222	0.5
182.85141	0.4
185.05994	49.7
186.06726	2.3
194.07321	1.3
197.05931	0.5
198.06851	0.8
199.07544	6.5
199.11256	0.5
209.09613	1.4
216.10982	0.4
225.09161	0.8
227.10683	57.2
228.11038	0.9
267.13675	0.7
285.14914	1.7
288.18738	0.5
309.30609	0.5
380.18597	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	378.2276
Annotation	Isariotin E
Peak:m/z	Relative Intensity
53.03929	0.4
55.01855	0.5
55.05500	0.9
56.05028	0.4
58.42044	0.3
58.87187	0.4
60.28242	0.4
67.05518	0.8
69.07076	0.6
70.02979	0.4
70.06601	1.9
71.05348	0.7
72.04501	1.2
79.05493	1.5
81.07053	2.3
82.02931	1.2
83.04994	0.9
84.04518	0.5
87.05587	0.7
91.02078	0.4
91.05473	2.8
93.07034	2.2
95.04950	0.6
95.08609	2.4
96.04450	0.7
97.02862	0.5
97.06532	0.6
100.03980	1.0
102.31268	0.4
105.07012	3.8
107.04942	1.4
107.08619	2.2
108.39315	0.4
109.06516	1.2
109.10132	0.4
114.05538	0.8
117.07021	3.4
119.08575	4.1
120.08126	0.4
121.06532	1.2
121.10117	1.3
123.08076	0.8
124.03966	0.6
128.03418	1.0
129.06996	1.2
131.08585	3.8
132.47404	0.4
133.06522	1.0
133.10146	1.5
133.96390	1.2
134.18982	0.4
134.79292	0.4
135.08058	1.3
137.06009	0.5
142.05005	0.6
143.08533	2.4
145.06474	4.3
145.10118	4.0
147.04395	0.7
147.08037	3.0
147.11690	0.6
149.09657	0.9
150.07718	0.9
151.07582	0.5
155.08534	2.3
157.06349	0.5
157.10156	2.6
159.08067	1.6
159.11668	2.2
161.05991	0.9
161.09613	1.6
163.07542	1.7
165.09143	0.4
167.08551	0.6
169.10135	1.3
171.08080	1.0
171.11726	1.8
173.09616	0.9
173.13240	1.8
175.07562	0.4
175.11189	1.3
177.05486	0.8
178.05789	0.7
179.08556	0.5
181.10094	0.9
183.08136	0.5
183.11636	0.8
185.09584	1.9
185.13255	1.5
187.07234	0.9
187.11168	1.4
187.14836	3.3
188.05553	0.5
188.07442	0.8
189.09062	0.5
193.10088	0.4
195.11691	1.5
197.09758	0.8
197.13319	2.0
199.11272	0.6
201.12781	0.5
203.10741	0.4
207.11693	0.8
209.13252	1.3
211.11263	0.7
213.12825	0.7
215.14404	2.8
219.11780	0.5
221.13248	1.0
223.11143	0.8
223.14786	1.9
225.12808	0.6
227.10750	0.5
233.13254	0.8
233.15387	2.3
235.11411	0.8
237.12747	1.1
237.16463	1.3
247.14853	1.1
251.14320	1.8
255.13722	1.2
255.17523	0.8
265.13043	0.5
265.15814	3.2
269.15387	1.3
271.13376	0.7
275.14377	1.1
283.13623	0.7
283.16949	4.3
293.15350	2.8
301.18207	0.8
311.16492	3.4
329.17465	3.2
347.18533	18.0
348.19223	0.5
378.22751	100.0
379.10001	1.1
379.23044	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	378.2276
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.7
55.05518	6.4
56.96561	1.9
57.03422	1.3
67.05502	12.6
69.03412	1.5
69.07069	5.3
69.79066	4.1
71.04984	2.1
73.94718	0.9
79.05077	0.9
79.05477	5.9
81.03447	1.1
81.07063	22.6
83.08618	2.1
84.04502	4.8
85.02898	1.4
85.07028	1.0
91.05482	8.6
93.07046	13.6
95.04958	2.8
95.08610	24.3
97.02895	1.1
97.06520	2.6
97.10150	3.3
97.17083	0.9
98.97585	1.8
101.02309	1.0
102.05539	1.8
105.07029	17.3
106.07382	0.9
107.08593	24.6
108.08914	1.1
109.06507	2.4
109.10162	18.8
117.07008	1.5
119.08589	41.2
121.06499	4.4
121.10143	11.6
123.08047	3.0
123.11674	2.0
125.09619	2.9
129.07025	1.0
130.05017	7.9
131.08542	4.1
133.10130	100.0
134.10460	1.6
135.08040	5.5
135.11694	2.4
137.09612	2.2
142.07686	1.3
145.10129	4.2
145.16159	0.9
147.08087	1.0
147.11684	16.2
148.06046	1.2
149.09521	1.1
149.13242	5.8
157.10092	3.9
158.36723	1.0
159.11691	2.2
161.09645	2.0
161.13268	12.4
171.11681	3.1
173.13242	4.9
175.14825	76.1
187.14771	1.0
203.17960	65.3
204.18280	1.8
213.16342	3.9
229.07520	1.8
231.17429	13.4
247.08495	1.5
255.08737	1.0
285.10074	1.3
342.21051	1.2
342.24960	1.8
378.22644	16.8
378.26620	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	378.2274
Annotation	Unknow
Peak:m/z	Relative Intensity
51.86535	0.6
53.03925	1.2
55.05512	5.3
56.96558	1.4
57.07066	1.0
64.42706	0.6
67.05504	9.1
69.07072	4.7
70.06570	1.0
71.52505	0.9
79.05492	6.2
81.07053	24.2
83.08627	1.3
84.04504	4.9
91.05481	6.8
93.07035	12.7
95.04955	1.5
95.08607	19.5
97.06515	1.6
97.10154	1.5
102.05536	1.9
103.05499	1.1
105.07029	17.0
107.07877	1.5
107.08591	22.5
109.06500	2.0
109.10152	14.5
109.60864	0.7
111.08083	0.8
117.07004	1.3
119.08578	36.4
120.08907	1.1
121.06490	4.0
121.10139	9.0
123.08073	2.7
123.11710	2.1
125.09618	2.6
129.07021	1.0
130.04997	5.9
131.08528	4.2
133.10126	100.0
134.10440	1.4
135.08067	4.5
135.11699	3.1
137.09639	0.9
139.03879	1.2
140.10681	0.9
143.08582	1.4
145.10129	3.1
147.08032	1.1
147.11682	17.8
148.06058	1.5
149.09602	0.8
149.13260	6.1
156.09323	1.1
157.10117	5.2
158.10835	1.2
159.11713	1.6
161.09660	1.3
161.13255	12.1
163.03900	0.9
171.11729	1.5
173.13246	5.7
175.14818	77.0
176.15187	1.1
189.12706	1.8
203.17950	67.1
204.18388	1.1
213.16418	2.3
231.17429	12.8
344.12201	0.8
363.03506	0.7
378.22641	14.7
378.26315	1.4
378.31778	1.5
379.26010	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.1922
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	2.2
54.03471	6.3
55.01860	11.2
55.05514	23.8
56.05029	22.3
56.96568	5.6
57.03440	3.9
60.04515	9.8
67.05505	13.9
68.05027	4.7
69.03418	4.8
69.07053	7.2
70.02950	28.4
70.06590	25.0
71.06940	2.6
71.52374	4.6
72.04520	81.6
73.05286	4.8
74.02420	4.4
79.05503	11.8
80.05003	11.0
81.03403	5.4
81.07040	12.7
81.21452	2.5
82.02463	3.5
82.02944	63.1
82.06553	7.5
83.04969	5.4
83.08604	8.5
84.04507	57.2
84.08118	3.3
85.02895	4.2
87.05092	3.8
87.05595	66.8
88.03978	6.4
90.58179	2.2
91.05466	8.4
93.07034	13.3
95.04951	3.3
95.08602	7.7
96.04490	54.6
96.08164	2.5
97.02879	3.3
97.06510	15.6
97.10151	8.1
98.06067	16.0
98.97581	2.4
99.00788	11.2
100.03984	49.2
101.07159	14.8
102.05531	2.9
105.07019	6.8
107.08581	9.8
108.04482	6.6
108.08112	3.8
109.10139	4.9
110.02396	24.1
110.06011	5.9
112.03958	14.0
113.07138	19.8
114.01910	6.9
114.05527	51.1
116.03425	6.8
116.07043	2.6
117.03400	3.7
119.08542	7.0
120.08089	5.1
121.10131	10.9
122.06012	3.0
123.08044	3.1
124.03959	29.4
124.11285	2.4
125.09632	7.2
126.05497	8.1
128.03441	45.9
130.05005	8.7
131.04521	5.1
131.08530	4.6
133.06075	11.4
133.10222	2.9
136.03879	3.9
136.07579	3.5
137.02350	3.1
137.05988	4.0
137.09595	6.0
139.03876	3.8
140.03383	5.6
141.06567	21.8
142.05011	52.0
142.08647	3.7
145.02919	4.9
145.06104	14.8
147.08017	4.1
149.09602	6.2
153.10202	2.9
154.05028	5.0
154.11003	15.8
156.02904	23.1
159.07657	12.7
163.03900	7.1
166.12239	5.5
167.11777	6.7
170.04483	34.9
173.05606	11.9
177.05493	7.7
178.12321	3.0
180.13852	4.3
182.04448	3.2
182.11775	10.4
185.12987	3.9
187.07149	100.0
190.12236	4.4
194.11729	6.9
196.13365	3.0
199.07111	2.7
200.12798	6.8
206.11836	5.8
208.13347	11.4
210.14926	4.7
212.12772	5.8
213.15996	3.7
218.11859	4.5
224.12796	6.8
225.13673	5.5
226.14355	8.7
227.01443	2.5
234.11247	8.8
234.14867	3.8
236.12787	5.2
238.14331	7.6
251.13852	5.1
252.12234	5.5
252.15990	5.3
253.13251	3.8
254.13853	26.6
254.16316	6.5
260.12860	3.8
262.10791	4.1
271.16437	5.5
278.13852	3.9
280.11765	13.8
287.16046	18.2
296.14874	7.2
298.12573	4.4
315.15796	2.7
315.19141	9.8
316.16571	4.5
323.15976	2.9
333.16632	25.6
359.21948	3.2
377.08466	5.0
377.13983	4.5
377.19202	57.4
385.06879	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	377.1782
Annotation	Ser Asp Arg
Peak:m/z	Relative Intensity
56.96564	0.8
69.03442	0.5
69.36248	0.4
70.06573	0.4
70.67838	0.4
70.68142	0.7
71.50815	0.4
82.94379	0.4
83.13938	0.5
85.75385	0.5
96.04391	0.4
98.21592	0.5
98.97615	0.9
102.44508	0.4
151.14915	0.4
161.90396	0.4
163.03952	0.6
183.05038	0.4
215.12569	6.8
243.91838	0.4
254.13892	0.6
336.44559	0.4
359.07437	1.6
365.28070	0.4
377.08511	13.1
377.17850	100.0
378.18130	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.1457
Annotation	Tuliposide D
Peak:m/z	Relative Intensity
53.03955	2.1
55.01871	0.6
57.03444	7.7
59.04986	0.8
61.02934	3.6
69.03432	13.1
69.61953	1.6
69.62368	0.6
70.06573	0.4
71.01354	2.4
71.04999	3.2
73.02917	1.9
75.04482	1.9
81.03410	3.9
87.04492	0.6
97.04843	0.4
99.04462	5.1
99.97896	0.5
105.94561	0.4
114.26442	0.4
117.05503	1.4
123.04467	0.6
137.05974	0.9
139.03923	1.2
145.07616	1.8
157.06374	0.6
170.07117	1.3
172.08699	29.2
174.10229	0.6
177.05467	0.7
190.09734	1.1
198.06631	7.1
200.08208	6.2
214.09813	1.1
216.07680	15.3
218.09213	0.8
234.11101	0.5
243.08781	67.3
244.07074	1.1
293.45868	0.4
298.64078	0.5
319.17224	1.2
359.13513	3.3
377.14499	100.0
378.14871	2.0
383.49960	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.0843
Annotation	Unknow
Peak:m/z	Relative Intensity
53.13430	0.4
53.83406	0.5
55.61831	0.5
60.22464	0.5
70.68251	0.8
70.68595	0.9
72.08169	0.5
83.07363	0.4
85.39195	0.5
145.02855	0.6
163.03923	2.3
179.03101	0.8
185.02132	2.7
191.45874	0.6
196.29472	0.5
197.04242	1.1
197.49182	0.5
215.05252	6.6
331.08014	0.9
359.07440	3.1
377.08438	100.0
378.08832	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.0843
Annotation	Unknow
Peak:m/z	Relative Intensity
55.02617	0.4
69.07066	0.8
70.02988	0.5
70.06587	0.8
71.52716	0.7
81.03417	0.5
84.04514	0.8
84.08120	0.4
89.03909	0.5
96.04501	0.5
97.42721	0.4
117.03354	0.8
130.06516	0.8
133.06071	0.6
135.04408	1.4
145.02838	0.7
157.07603	1.4
163.03900	5.7
163.07053	0.4
179.03142	0.8
185.02121	1.8
185.07060	0.4
197.04277	1.6
203.03163	1.1
206.15765	0.4
208.13390	0.5
212.34221	0.4
215.03180	1.4
215.05205	7.5
215.12657	0.7
233.67670	0.4
242.09160	0.5
251.14568	0.7
254.13795	0.9
296.14944	0.8
331.07819	1.9
333.17468	0.6
359.07343	8.8
359.17416	1.2
377.08444	100.0
377.17816	12.6
378.08875	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.0843
Annotation	Unknow
Peak:m/z	Relative Intensity
70.93164	1.2
85.02900	0.6
89.03944	0.9
115.38787	0.4
117.03416	1.0
131.01942	0.8
131.44766	0.5
135.04430	2.0
140.51286	0.5
145.02846	1.4
155.01881	0.5
163.03888	11.1
164.04265	1.5
185.02101	2.1
197.04251	2.2
215.05275	5.3
221.02992	3.7
266.83188	0.5
271.04541	1.0
277.07718	0.9
331.07745	0.9
359.07455	2.3
359.40143	0.5
377.08435	100.0
378.08688	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	376.2162
Annotation	Unknow
Peak:m/z	Relative Intensity
55.04256	0.4
56.96569	18.1
61.42408	0.5
67.05513	1.1
69.07063	1.0
71.08623	2.2
71.52656	0.6
71.95275	3.2
72.96042	1.0
74.97611	0.9
79.49030	0.4
81.07061	1.0
84.96033	1.5
86.09692	0.8
88.11279	4.7
93.07047	0.9
94.31593	0.4
95.04954	0.5
95.08595	0.5
97.96843	1.6
98.97604	1.5
105.00178	0.5
107.08616	1.0
109.06528	1.0
109.10143	0.5
110.97581	7.7
112.99146	0.5
115.97814	0.6
123.01194	0.8
128.98616	7.5
137.02748	1.1
143.00179	1.0
146.99620	3.7
152.00232	0.6
155.03822	0.6
161.01242	1.2
165.12755	2.8
171.03371	1.4
175.02768	0.6
185.04866	1.1
189.04332	0.9
190.05190	0.6
191.29514	0.5
225.07941	0.8
263.09500	2.1
270.91544	0.5
277.11179	1.7
278.24805	0.8
291.12839	0.6
314.33115	0.6
317.17868	40.3
328.26416	0.5
333.17426	2.7
335.18933	100.0
336.19308	1.2
353.19998	19.1
358.20554	21.7
359.20767	1.2
375.80899	1.2
376.21588	2.9
376.25812	0.5
376.31894	3.3
376.36630	0.9
399.23389	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	376.1606
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.9
54.24160	0.5
56.96561	1.8
57.03441	0.8
61.40822	0.5
64.42898	0.5
69.03424	3.2
70.06595	0.7
70.87340	1.0
72.08163	0.7
72.63202	0.5
81.03445	0.5
82.84782	0.5
85.02913	5.1
87.04462	0.8
89.03926	4.0
90.04273	0.6
90.36185	0.5
91.05500	2.7
93.07049	4.4
95.04967	0.7
97.02895	3.0
98.97585	2.7
99.04469	0.6
101.00856	0.5
101.30747	0.4
103.05450	3.5
105.04481	0.6
107.04945	1.4
109.02854	0.5
110.97571	0.6
111.04489	0.4
111.67535	0.4
115.03919	1.0
116.98588	0.7
117.03394	3.6
118.03751	0.8
121.06509	100.0
122.06803	0.7
127.03880	1.5
128.98599	0.8
131.01874	0.5
135.04413	6.5
136.04736	0.7
138.09138	27.8
143.00174	1.0
145.02762	4.1
145.04747	0.6
146.03246	0.6
148.03845	3.2
150.72331	0.4
158.99707	0.6
163.03911	33.7
164.04221	4.9
165.04456	0.8
169.03450	0.8
170.03714	0.6
170.99644	0.8
172.05341	0.6
173.04639	0.4
175.11815	0.6
177.00652	0.6
187.04526	0.9
189.00723	0.9
201.00781	0.5
205.03560	1.0
205.05467	17.3
214.06018	1.2
217.03770	0.5
219.01753	2.5
221.02982	4.5
229.06499	0.6
232.66209	0.6
235.06671	1.0
237.02844	2.0
239.93652	0.5
253.07628	0.5
271.04532	1.1
275.06177	3.6
276.06433	1.5
277.03113	0.5
277.08148	3.5
281.09012	0.6
287.06113	0.9
295.07239	1.5
295.08621	2.1
303.09308	0.8
306.01364	0.6
376.06110	0.7
377.08093	3.6
383.70709	0.5
391.10938	1.7
395.12427	0.5
396.12558	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.2685
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03967	5.5
55.05515	19.3
57.07077	6.0
67.05511	33.0
68.44200	5.9
69.07080	14.5
71.52486	7.6
73.04576	5.7
76.42137	5.7
78.47664	6.1
79.05486	34.2
79.32826	5.7
81.03465	6.1
81.07059	59.3
83.08633	10.3
88.12673	6.9
91.05484	45.4
93.07049	82.8
95.04979	47.0
95.08618	49.5
97.06544	12.0
102.73879	6.6
105.07036	100.0
107.08614	52.3
109.06577	10.7
109.10166	28.5
111.62201	5.9
117.07027	18.8
119.08584	84.7
120.77689	5.5
121.06505	17.4
121.10158	61.9
123.11724	8.3
128.06187	6.3
129.07016	13.0
131.08591	59.1
133.10170	31.4
135.11728	18.1
141.06984	7.5
142.07779	18.0
143.08589	32.2
144.09373	10.5
145.10124	56.1
147.11711	19.4
154.75790	6.1
155.08517	7.2
157.10185	50.9
159.11633	29.3
161.09695	9.6
169.10167	16.8
171.11710	23.0
173.13220	12.9
175.11143	8.0
175.14771	9.2
181.10083	6.5
183.11813	14.1
185.13243	8.0
187.11217	11.2
187.14867	15.6
194.10905	9.0
209.10254	6.4
209.13206	7.3
211.14818	8.4
221.13361	6.3
235.42110	7.7
242.91795	6.5
275.20184	8.4
277.69632	7.0
284.62427	6.2
375.26563	29.9
393.61868	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	375.2379
Annotation	Linarionoside A
Peak:m/z	Relative Intensity
55.01863	3.1
55.05513	8.0
61.02915	2.3
67.05511	4.9
69.03429	5.2
69.07072	10.9
69.34797	11.2
70.06598	1.8
71.04980	3.9
79.05482	5.0
81.03425	3.1
81.07053	16.4
83.04984	2.8
83.08612	11.4
84.04498	2.5
85.02906	6.4
86.09729	2.1
91.05465	2.8
93.07036	15.2
95.04955	5.0
95.08613	24.0
97.02900	2.8
97.10162	5.1
98.21488	1.9
99.08109	10.8
102.45818	1.3
105.07021	4.2
107.04954	2.2
107.08591	27.3
109.02903	2.8
109.10159	9.0
111.08048	4.7
117.07054	1.4
119.08563	2.7
121.10147	42.5
123.11692	3.2
125.05965	3.1
125.09614	4.4
131.04939	2.5
135.11687	10.7
137.05994	2.8
137.13260	5.7
139.11185	2.2
145.04958	1.6
145.06415	1.8
147.04480	1.9
147.11626	1.9
149.13263	4.4
159.07980	1.6
159.11737	2.0
161.05991	1.7
167.07062	3.4
175.14769	1.5
177.16394	100.0
185.09599	1.5
195.13765	5.1
195.17447	15.9
210.38069	1.5
213.18498	29.2
224.07149	1.8
301.14648	2.9
375.18130	6.4
376.24811	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	375.1261
Annotation	Unknow
Peak:m/z	Relative Intensity
54.11459	0.4
56.96585	0.4
59.66946	0.4
63.91337	0.5
69.19806	0.4
71.52504	0.6
81.07065	0.5
84.04508	0.6
84.08151	0.5
98.97590	1.7
116.98667	0.6
124.35851	0.4
130.05063	0.5
185.04202	1.8
195.08620	0.6
211.13310	0.4
213.07344	100.0
214.07487	0.6
222.07573	0.8
223.08041	1.1
250.14548	0.7
301.03903	0.5
327.86337	0.5
329.06235	1.3
331.13611	1.1
357.05981	2.1
359.19492	0.4
375.06982	4.7
375.12543	42.2
375.16257	1.8
376.12820	0.5
391.03732	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.2902
Annotation	Unknow
Peak:m/z	Relative Intensity
51.37202	7.9
55.01884	12.2
55.05492	30.5
56.96547	23.9
63.38467	8.4
66.67059	8.5
67.05508	85.7
69.07059	36.4
71.04994	75.4
71.52646	8.8
79.05485	37.2
81.03390	11.5
81.07059	83.2
83.08614	14.5
85.06508	11.4
91.05477	34.3
93.07056	56.8
93.22472	8.9
95.04938	11.9
95.08612	46.1
97.06513	14.5
97.10156	31.1
105.07014	28.5
107.08601	64.8
109.06527	10.1
109.10146	55.9
119.08575	31.1
121.10145	18.6
125.09627	25.8
131.08559	11.6
133.10138	24.2
135.08029	10.7
135.11694	14.0
137.05949	43.5
138.06325	34.7
145.10080	16.4
149.09641	10.4
149.13275	16.0
155.10695	9.4
159.11667	19.4
173.11743	56.8
177.12668	29.1
185.63559	8.5
187.13266	44.8
203.12787	25.2
226.40547	8.4
239.17949	10.9
241.17996	49.0
275.20102	52.3
289.21555	16.2
294.79730	9.5
315.18262	12.5
333.19522	53.2
351.19659	100.0
369.19516	17.3
374.18738	9.3
374.21768	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	374.2006
Annotation	Unknow
Peak:m/z	Relative Intensity
51.27744	0.5
56.96567	23.9
57.07076	0.5
57.39702	0.5
67.05494	0.8
70.06570	0.7
70.76783	1.1
71.08644	0.9
71.09003	0.6
71.95281	4.5
72.96041	1.9
74.97593	0.8
79.05469	0.8
81.07053	0.8
84.96022	1.8
86.97580	0.5
88.07638	1.3
97.96794	2.9
98.97581	1.7
99.98331	0.6
105.00151	0.9
110.97572	15.0
111.47520	0.6
111.84773	0.5
115.97861	1.4
116.98631	0.8
123.01184	0.7
123.72466	0.6
123.80164	0.6
128.98615	13.7
132.10222	1.3
137.02721	1.3
137.05991	2.1
138.06325	0.6
143.00162	1.9
146.99643	5.7
150.11247	1.4
152.00230	2.0
161.01186	1.9
165.66789	0.6
168.12773	0.5
170.01288	0.6
171.03212	1.5
172.38239	0.5
175.02762	1.0
185.04834	1.5
189.04315	1.3
199.06427	1.0
203.05791	1.0
205.07257	0.7
217.07475	0.7
227.09564	0.6
239.09564	0.7
241.11086	1.9
245.10928	0.6
252.10410	1.8
259.12259	1.6
263.09534	5.5
264.10220	1.2
265.11325	0.8
270.11615	1.4
277.11108	1.6
281.10800	1.0
303.12747	2.4
313.14563	1.1
315.16306	54.7
316.16629	0.8
331.15817	2.5
333.17371	100.0
334.17685	1.8
351.18411	33.1
352.18539	1.0
356.18985	19.3
357.19397	0.8
374.20047	4.3
374.36282	8.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.1728
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05492	0.3
69.07044	0.6
69.48438	0.7
69.48846	1.4
70.06593	2.4
72.08130	0.3
73.93533	0.3
84.08107	1.2
86.09705	3.2
91.05441	0.8
98.98454	2.2
105.07011	0.4
117.03328	0.3
118.06540	3.7
125.00007	9.0
125.04504	0.3
129.10213	0.8
132.08064	1.2
132.38846	0.3
133.08847	0.6
137.05966	0.6
144.07021	0.5
144.08080	6.9
146.09645	1.4
150.25082	0.3
158.09625	2.8
159.10413	1.0
160.11224	0.4
162.09145	2.4
172.11179	1.7
176.10753	1.4
176.14345	16.7
177.11440	0.5
182.42239	0.3
190.12277	1.4
202.15907	41.9
203.16293	0.4
211.15016	0.4
220.16959	100.0
221.17258	1.0
228.91281	0.3
300.13586	8.7
356.15958	0.4
374.17334	22.0
374.22830	0.8
375.17404	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.1447
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	2.3
55.01860	3.3
57.03420	2.8
61.02920	2.2
65.03933	2.0
66.64117	0.8
68.99763	0.8
69.03430	15.6
70.06586	2.3
70.91522	2.0
71.04979	2.9
73.02906	2.9
81.03413	10.3
81.44090	0.8
82.78126	0.7
84.08155	1.0
85.02905	47.9
86.09695	3.4
87.00835	19.5
91.05485	100.0
96.65768	0.9
97.02890	14.4
97.03460	0.5
99.04461	5.9
101.02482	0.9
102.11829	1.0
103.03932	1.9
105.01871	29.0
105.07023	1.4
108.04472	2.6
109.02869	14.4
113.16126	0.9
115.03876	0.9
126.05500	1.1
127.03918	30.5
129.01826	1.7
129.07024	1.4
133.06451	1.4
141.46271	0.8
143.27151	0.8
145.04970	17.0
145.06293	1.8
145.06470	1.7
147.02902	1.2
157.06445	1.1
159.02884	7.4
171.08081	1.3
175.07503	1.4
189.03932	2.4
195.06581	2.4
198.67424	1.0
199.07564	1.5
213.04007	2.5
217.08617	3.4
230.06642	1.0
231.04990	9.2
235.09618	1.3
249.06026	3.6
266.08524	1.3
339.10785	1.2
369.81125	1.1
377.08414	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.1443
Annotation	Unknow
Peak:m/z	Relative Intensity
52.44246	1.3
53.03951	2.0
55.01873	2.9
57.03444	1.8
57.07070	2.1
65.03941	2.1
68.99788	1.5
69.03432	16.6
69.07063	1.6
70.06582	2.5
71.04973	3.0
71.05331	2.8
79.05489	2.1
81.03403	8.8
84.04523	4.2
84.08140	2.1
85.02909	14.1
86.03185	1.6
86.09714	28.7
87.00835	9.6
87.04494	1.7
91.05488	69.4
93.07023	2.3
95.04980	2.7
95.08617	1.9
97.02894	26.7
99.04445	7.1
102.05524	2.0
105.01898	6.1
105.03368	3.4
105.07047	3.6
107.04961	3.9
107.08570	2.2
109.02895	7.1
109.06547	2.1
119.04919	7.3
121.06496	3.4
123.04434	100.0
127.02991	1.5
127.03923	30.0
131.04922	1.6
132.10208	3.9
133.06512	2.0
135.04433	4.9
136.06239	3.3
137.06021	7.2
138.06311	2.0
138.09059	1.4
145.02853	1.8
145.04959	18.8
146.35931	1.4
147.04419	20.5
148.04857	2.5
149.05965	7.0
151.03931	2.9
153.05315	1.3
159.04440	1.6
161.05971	9.5
163.03903	7.3
165.05490	4.6
171.04468	2.4
173.05992	1.6
175.03889	14.5
177.05482	59.1
178.05751	1.6
189.05464	13.8
197.12842	3.0
199.18040	5.0
201.05444	11.0
205.04988	20.6
207.06544	2.4
207.81540	1.4
212.12807	1.5
215.13881	3.0
217.04976	22.8
222.07619	17.3
224.10066	2.6
227.17549	3.1
229.04950	9.5
231.04979	15.5
234.07610	36.5
236.10065	4.5
243.13597	1.7
246.07622	10.9
249.06015	9.3
250.11980	1.6
254.11055	2.5
278.11032	4.5
290.11078	4.1
297.07715	4.3
302.10971	2.6
311.09164	12.7
329.10355	3.6
339.08545	10.9
356.11172	10.9
357.09692	3.0
374.12662	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	374.1234
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	1.0
56.96549	0.6
57.03436	1.0
64.20259	0.5
67.05489	1.1
68.99792	2.6
69.03427	1.6
69.47969	2.6
69.48376	2.0
70.06575	0.8
72.08171	1.2
74.69044	0.6
75.63702	0.6
79.05486	1.7
81.03426	1.8
81.07048	1.3
85.02927	0.7
86.09694	2.8
91.05478	3.1
93.07046	2.2
95.04979	1.5
97.06535	0.7
98.97589	0.7
103.05470	1.1
105.03391	1.2
105.07037	1.4
107.04932	1.9
107.08625	0.9
109.02866	1.9
110.93940	0.6
110.97810	0.6
119.04949	1.8
121.06477	4.0
123.04430	36.2
125.09666	1.6
133.06490	1.0
135.04439	5.5
135.07971	0.9
136.07532	1.3
137.06013	3.6
138.06322	0.9
138.09061	1.3
145.06564	0.7
147.04405	4.4
149.05975	7.6
149.09627	0.7
150.09161	2.7
151.03888	1.2
153.05437	0.9
159.04442	1.7
161.06010	3.4
163.03911	7.2
163.07536	1.7
173.05983	1.5
175.03908	7.8
175.07520	0.9
177.05469	100.0
178.05823	1.7
179.06970	0.9
189.05472	7.5
190.08667	1.1
191.07007	4.1
196.42368	0.7
197.81654	0.6
199.03928	0.8
201.05484	6.1
204.10181	0.7
205.04970	58.5
206.05342	1.3
208.09673	7.0
211.13298	0.9
212.12833	1.7
217.04939	9.3
222.07617	69.3
222.11241	5.1
229.05009	4.1
234.07617	13.9
244.82457	0.6
246.07706	4.4
297.07697	2.3
311.09137	6.0
339.08713	4.7
356.11258	5.8
356.15073	1.6
357.08585	0.8
374.12125	1.4
374.15857	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	374.1236
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	0.5
54.83710	0.5
55.01873	1.2
55.43293	0.6
57.29604	0.6
60.78696	0.4
65.62090	0.5
67.05498	1.3
68.34479	0.5
68.99791	1.9
69.03429	1.1
69.07066	0.7
69.77686	1.7
69.78088	1.1
70.06583	1.0
72.08146	0.5
79.05495	1.7
81.03391	0.7
81.07042	1.8
82.55450	0.4
84.04497	1.3
85.02916	0.7
85.54024	0.4
86.09724	3.7
91.05482	3.1
93.07056	1.2
95.04971	1.3
95.08583	0.5
97.02903	0.9
98.97624	0.7
102.05511	0.6
103.05455	1.3
105.03377	0.8
105.07014	1.4
107.04951	2.0
107.08559	0.6
109.02892	1.4
109.06509	1.1
109.10180	0.9
117.07018	0.7
119.04934	2.3
121.06519	3.7
123.04435	33.3
125.09634	1.0
127.92319	0.5
131.04913	1.7
132.10176	0.8
133.06496	0.9
135.04427	4.0
136.07559	1.1
137.06001	5.7
138.06371	0.7
138.09122	1.0
143.05028	0.5
145.06477	0.6
147.04433	5.2
149.05997	8.9
150.09137	2.2
151.03914	0.8
153.05530	0.6
159.04408	1.9
161.06023	3.8
163.03929	6.7
163.07524	2.3
164.09865	0.5
165.05475	0.7
171.04404	1.4
173.06010	1.3
175.03918	7.4
175.07616	0.7
176.04578	0.7
177.05476	100.0
178.05757	1.2
179.07051	0.8
189.05447	5.7
190.08716	0.6
191.07047	8.7
199.04022	0.9
201.05437	5.1
203.07077	0.6
204.10277	0.9
205.04973	56.7
206.05241	0.6
208.09700	14.4
212.12804	3.1
217.04951	10.0
222.07625	66.7
222.11212	3.2
223.07825	0.8
229.04955	3.1
234.07607	13.0
246.07661	5.6
274.05472	0.5
285.07553	0.5
297.07617	1.5
311.09103	5.4
339.08640	4.6
339.12238	1.0
356.11227	6.4
356.14926	0.7
374.12146	1.2
374.16037	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	373.2222
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05494	8.7
57.07066	4.1
61.02885	2.9
67.05512	16.1
69.03407	10.6
69.07072	15.0
71.04975	5.2
72.94923	2.3
75.39602	2.3
76.95444	2.3
79.05470	6.4
81.03392	3.5
81.07077	20.3
83.04967	10.2
83.08607	8.5
85.02895	9.1
85.06548	5.6
87.00442	2.3
91.05509	4.1
91.85978	2.4
93.07040	7.5
94.37949	2.5
95.04975	4.4
95.08621	32.8
105.07024	8.9
107.08606	24.2
109.06523	10.3
109.10162	100.0
111.08047	3.5
119.08590	47.6
121.10127	14.6
123.04405	8.5
123.08089	13.0
123.11712	7.1
124.04727	5.2
133.10168	21.6
135.11697	95.3
137.05995	20.7
137.09613	16.0
147.04395	6.5
149.13214	5.3
151.03918	10.5
151.11154	8.2
151.14824	11.2
152.04193	4.5
153.04356	3.2
163.03946	3.3
165.16382	3.6
166.05769	3.1
175.14835	41.5
175.45183	2.7
183.35350	3.4
191.10606	2.7
193.15887	60.2
211.16949	77.8
219.10156	7.1
219.99095	3.0
220.10536	6.4
221.10600	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	373.2221
Annotation	Blumenol C glucoside
Peak:m/z	Relative Intensity
55.05509	10.3
56.96572	3.3
57.03424	3.6
57.07057	2.6
59.60076	1.9
61.02936	2.5
61.18855	2.2
64.97943	2.0
67.05509	19.5
69.03418	8.5
69.07081	13.8
70.70705	4.3
71.04990	4.2
73.02917	2.6
79.05496	8.1
81.03421	10.3
81.07061	23.6
83.04975	7.2
83.08617	9.0
85.02912	9.8
85.06535	2.4
90.99683	2.1
91.03966	3.0
91.05472	8.7
92.60856	2.2
93.07025	14.3
95.04972	3.1
95.08614	33.8
97.02888	4.4
97.06564	2.8
99.08090	4.6
105.07034	11.2
107.04981	3.4
107.08604	21.2
109.06524	8.7
109.10161	100.0
111.08087	4.4
119.08592	38.3
121.10145	15.5
123.08090	14.1
123.11758	10.8
133.10138	24.2
135.11693	93.0
137.06010	17.6
137.09615	14.5
147.04384	3.4
147.11726	4.2
149.09673	3.2
149.13271	8.0
151.03868	3.4
151.07549	19.5
151.11185	9.0
151.14819	12.9
153.12697	3.1
159.04482	2.5
163.03923	6.6
172.20651	2.3
173.02353	6.0
173.05870	2.1
175.14832	44.4
185.05928	3.2
187.03914	4.5
193.15897	64.0
193.17657	3.5
199.03860	2.9
211.16936	62.3
213.05479	7.1
257.07153	2.6
267.09012	4.8
267.13715	9.3
285.10104	5.4
301.67603	2.7
311.12662	7.4
327.15619	2.9
337.14352	5.4
355.15198	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	373.2222
Annotation	Blumenol C glucoside
Peak:m/z	Relative Intensity
50.73116	0.8
53.03951	0.9
55.05523	6.9
57.07066	2.7
59.04993	2.6
61.02924	0.8
63.02278	0.9
64.62361	0.7
65.03960	0.9
67.05505	13.9
69.03437	6.3
69.07063	11.0
70.55328	2.0
71.04983	1.9
79.05501	1.8
81.03423	1.1
81.07057	14.9
83.04987	8.4
83.08624	6.8
85.02917	6.8
85.06532	3.4
87.08099	1.1
87.60251	0.7
91.05482	2.7
93.07045	8.6
95.04990	1.6
95.08607	28.1
97.02892	2.3
97.06457	0.9
97.10144	1.8
97.25880	0.7
99.08082	3.2
105.07037	5.9
107.08598	21.7
109.06522	8.4
109.10161	97.7
110.10502	1.0
111.08079	2.6
119.08583	37.1
121.10161	12.7
123.08073	12.1
123.11712	8.2
125.09585	1.4
127.03945	1.3
133.10133	21.3
135.11696	100.0
136.12053	1.1
137.05988	0.9
137.09621	16.8
139.11209	2.9
145.04977	1.7
147.11624	1.0
149.13254	7.3
151.11188	7.9
151.14815	11.6
153.12755	2.7
165.16354	3.8
175.14827	41.0
175.26244	0.9
193.15886	64.1
194.16237	2.1
211.16933	60.7
212.17216	1.3
287.06766	0.8
319.70566	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1857
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31318	1.3
52.51105	1.4
53.03933	6.2
54.81895	1.3
55.05517	11.7
57.03441	13.9
57.07062	4.4
59.04992	2.5
67.05507	46.6
69.03433	29.0
69.07043	3.7
71.04983	6.5
71.08627	4.3
73.02937	2.8
77.35289	1.3
79.05485	5.5
81.03421	35.7
81.07061	12.1
83.04995	13.9
83.08609	5.9
85.02911	10.3
85.06561	1.9
85.10207	2.3
85.19262	1.6
87.04449	2.7
91.05476	5.1
93.07031	4.3
95.04967	2.6
95.08610	7.8
97.02910	15.4
97.10183	4.5
98.20782	3.0
99.04448	6.1
100.12305	1.8
105.07034	3.6
107.08623	4.5
109.02859	5.4
109.10158	48.1
111.04460	6.8
111.08081	3.1
119.08580	6.2
121.10105	1.8
122.03669	2.3
125.09672	2.2
127.03905	15.1
129.05487	4.8
131.08615	1.7
133.10197	2.4
137.05994	22.1
137.09627	3.4
137.13255	1.6
145.04929	1.7
147.08043	1.7
151.07547	2.9
152.86519	1.4
153.84637	1.5
155.10670	3.6
173.11752	30.4
177.09233	2.1
187.11185	1.7
189.11244	3.8
209.11723	3.0
229.14459	7.3
235.11238	1.5
299.14908	9.5
305.11624	1.5
355.26428	3.2
355.31946	3.2
373.18585	100.0
374.19064	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1831
Annotation	17beta-(Acetylthio)estra-1,3,5(10)-trien-3-ol acetate
Peak:m/z	Relative Intensity
65.42824	0.2
69.67105	0.7
69.67561	0.4
69.74162	0.4
69.74473	0.3
70.31712	0.2
73.47324	0.2
90.31823	0.2
93.07070	0.2
97.27040	0.2
98.21520	0.2
137.05925	0.2
143.23694	0.2
156.03583	0.2
177.05415	0.3
185.04210	0.4
193.12003	0.8
193.15889	0.4
195.13570	0.5
201.03731	0.6
203.05264	4.4
206.00955	0.2
211.13063	0.6
222.07536	0.3
223.88646	0.2
234.50125	0.2
302.00754	0.2
333.99066	0.2
355.17200	0.2
363.77567	0.2
373.18320	100.0
374.18692	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1832
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96563	0.7
65.03947	0.5
67.05502	1.1
69.03413	1.1
69.07056	0.7
70.06588	0.7
71.52268	0.5
72.02473	0.3
72.08154	1.8
72.76218	0.4
79.05483	0.5
81.07040	0.6
83.04984	0.5
84.04504	0.5
84.08138	1.6
85.02888	1.7
86.09720	2.3
89.03921	0.9
89.07154	0.3
93.07031	0.8
94.04183	0.4
95.04956	1.3
95.08569	0.6
96.08097	0.9
97.02892	0.6
98.97617	0.4
99.04424	0.6
99.08112	2.3
103.04008	0.4
104.04266	0.5
105.07047	0.5
106.06546	2.8
107.04934	0.6
107.06886	1.3
107.08617	0.5
109.06514	0.6
109.10140	1.5
115.03948	0.6
115.05455	0.4
117.03372	0.9
121.02869	0.9
121.06580	0.5
122.03658	0.5
123.04466	0.5
129.10231	0.9
135.04376	0.4
135.11655	0.7
137.05981	9.8
137.09537	0.5
143.00162	0.4
145.02870	1.2
147.04414	0.8
149.05977	0.7
150.05530	0.8
151.07564	1.2
153.05527	0.4
155.07094	0.5
155.10652	0.6
158.12393	0.4
163.03909	3.1
164.04340	0.3
177.05502	1.0
177.09192	0.9
181.04956	7.5
181.06506	0.4
193.11995	1.8
193.15891	1.8
195.13573	14.0
198.09267	0.5
201.03702	16.8
203.05246	6.1
211.13023	0.3
211.16891	1.8
221.57147	0.4
237.02798	0.3
279.04919	0.4
281.10336	0.5
305.11728	0.7
341.22437	0.4
373.18347	100.0
374.18750	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1129
Annotation	Cycloshermilamine D
Peak:m/z	Relative Intensity
51.02376	0.7
51.99683	0.4
53.03944	3.4
55.05505	0.8
56.05016	0.4
57.03426	1.6
67.05507	0.8
69.03407	0.8
69.20232	3.6
70.06575	1.0
71.01350	0.4
72.08156	2.4
73.02893	1.0
73.80876	0.3
74.06075	0.7
75.04482	0.5
77.03924	1.0
79.05493	2.0
81.03400	0.7
81.07069	0.5
81.77195	0.4
83.04962	1.4
83.06091	0.6
84.04501	0.5
84.08160	0.8
85.02905	4.7
86.06087	1.2
86.09695	3.1
87.04485	0.4
89.06019	0.4
91.05480	1.3
95.01329	3.3
95.04971	4.6
95.08612	0.8
97.02905	0.7
99.08099	1.0
103.03931	1.6
104.04256	0.5
105.03391	100.0
105.07047	0.9
106.03752	0.4
107.04973	0.5
107.08588	1.0
109.10172	2.9
111.04448	0.4
113.02351	1.4
113.07153	0.6
116.08227	0.5
119.05003	0.4
121.10181	0.4
122.03619	0.5
123.04411	3.6
123.08066	0.4
125.06115	0.4
131.08156	0.7
132.23016	0.4
133.08594	0.5
133.10155	0.9
135.07962	0.5
135.11664	0.8
137.05984	7.2
137.09631	2.6
138.71617	0.4
141.01828	4.9
144.87663	0.3
145.02820	0.6
147.04471	0.7
149.06084	0.4
149.09633	1.5
149.13335	0.5
150.09935	0.6
151.07578	0.6
155.10670	0.5
157.13351	0.7
159.02856	0.4
163.03862	0.4
165.10239	0.6
171.02097	0.6
177.05507	1.1
177.09116	0.7
179.07033	26.3
185.12857	0.5
189.12331	0.8
193.04791	0.4
193.15891	3.6
196.14378	0.4
197.08101	12.6
204.73708	0.4
205.08667	0.4
211.16946	1.2
242.11356	0.6
258.02139	2.3
305.11749	0.5
337.09207	0.5
341.17679	0.5
355.10309	0.8
373.13770	1.6
373.18356	4.6
373.25058	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	372.2744
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	34.2
56.96557	55.8
57.03436	17.7
59.67850	12.9
61.02916	24.3
67.05502	33.1
69.03425	17.1
69.07065	30.7
69.48711	100.0
73.02911	26.3
79.05500	32.8
81.03415	50.3
81.07048	57.1
83.04948	16.3
85.02888	33.7
91.03948	15.6
91.05486	27.0
93.07033	32.1
95.04961	23.9
97.02869	38.8
97.06505	24.9
98.20707	24.5
98.97588	26.4
105.06980	20.6
107.08594	35.3
109.06528	17.1
109.10130	24.0
115.07513	15.5
137.05977	26.6
143.89845	16.6
158.99721	21.6
163.03874	24.5
199.06551	16.1
211.13298	16.3
229.07448	23.2
237.07919	17.2
255.09041	57.7
265.07574	20.7
267.09103	57.9
267.15939	27.1
273.09833	14.9
275.67490	15.0
281.10684	20.0
283.08524	49.0
285.10098	34.7
299.11685	26.0
301.09610	47.4
347.14392	49.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	372.223
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.6
55.05502	1.4
57.03446	1.7
59.05003	16.8
61.67612	1.5
67.05499	1.6
69.03426	6.4
69.07051	1.3
69.76302	6.8
70.06569	1.4
71.04991	1.4
72.08158	1.7
77.03917	1.8
79.05489	3.3
81.03437	2.7
81.04529	1.7
81.07077	2.5
83.04987	3.0
84.08154	1.7
85.02903	12.7
86.03222	3.5
86.06094	1.5
86.09715	4.1
87.04472	32.7
89.06033	55.2
91.04056	1.3
91.05484	2.5
93.07034	3.5
95.04986	7.8
95.07596	1.4
97.02876	2.3
97.06535	1.4
98.20831	2.2
99.04409	1.5
99.08107	1.5
103.03942	100.0
103.07599	7.7
105.03391	37.8
105.07037	3.1
107.07105	1.7
107.08609	4.9
108.08907	2.4
109.06533	1.6
111.04450	2.1
117.03407	5.4
118.03672	3.0
118.78143	1.4
119.08580	1.8
121.06494	1.8
121.08651	1.6
121.10133	3.9
122.10448	3.7
123.04431	2.6
124.08618	1.8
125.07163	2.0
127.03915	1.8
131.07050	13.4
133.08603	19.2
133.10143	1.8
135.08044	2.2
137.05959	3.0
137.09628	4.6
138.09973	2.3
139.03944	2.7
145.02850	8.5
146.03180	9.9
147.03365	2.4
147.04507	1.7
147.06512	8.0
147.10110	2.8
148.03714	2.3
149.09622	51.4
149.13203	2.0
150.09958	50.2
150.13646	2.3
151.03816	1.8
151.11218	3.2
152.04289	2.5
152.11568	3.9
163.03987	1.6
163.09679	6.3
165.11391	1.6
165.12747	6.1
166.13145	6.0
174.13591	2.2
175.09695	7.0
177.05484	13.4
177.11206	11.8
178.05809	16.2
179.05836	4.9
179.07318	7.4
180.06248	7.5
191.09081	8.4
191.12700	1.8
191.14325	4.2
192.14630	8.5
197.08086	4.5
203.88437	1.4
209.15364	20.7
210.15732	43.9
219.91281	1.5
220.10442	2.1
235.11778	4.0
251.14955	9.8
269.16003	5.4
279.14417	5.7
296.14926	2.4
297.15475	28.3
340.17456	3.7
355.19507	15.7
372.21890	2.6
373.18433	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	372.1867
Annotation	Unknow
Peak:m/z	Relative Intensity
52.49623	1.9
53.24276	1.9
57.03444	20.1
57.38593	2.1
59.05004	4.9
61.02919	6.0
69.03432	69.3
70.17081	8.4
73.02914	8.9
76.41321	1.8
81.03454	4.6
85.02909	89.7
87.04472	54.4
91.03950	5.2
97.02898	61.6
98.20792	1.9
98.97591	2.7
99.04450	6.3
99.43478	1.9
103.03931	3.4
106.06553	2.9
109.02919	6.1
115.03934	80.6
124.07630	4.5
124.60330	1.9
127.03922	20.2
133.04974	100.0
135.04407	3.8
145.04962	46.4
150.07628	8.2
153.04037	2.6
163.03947	14.9
163.06030	22.8
169.04933	2.8
187.06044	2.5
223.11771	8.6
241.07211	2.3
259.08069	5.0
271.21188	2.1
277.09201	3.0
294.92285	2.4
295.10205	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	372.1289
Annotation	Unknow
Peak:m/z	Relative Intensity
70.91481	0.8
79.05507	0.6
83.04964	0.7
85.02893	0.5
89.03909	4.2
91.11050	0.4
95.05001	0.7
107.04942	1.6
111.04477	0.4
117.03377	7.3
135.04424	14.0
139.03894	0.8
145.02853	11.0
145.03992	0.6
157.94827	0.4
163.03905	100.0
164.04343	0.6
179.03331	0.6
180.03758	0.5
193.07069	0.6
208.13345	0.6
227.09418	0.5
254.13875	0.7
269.10599	1.0
370.98257	0.5
372.20468	0.7
373.18289	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	372.1849
Annotation	Unknow
Peak:m/z	Relative Intensity
55.70485	0.5
56.96509	8.3
56.96812	0.8
57.97886	0.4
67.05447	1.3
69.07024	0.6
71.52370	0.9
71.95222	0.9
75.64992	0.4
79.05451	0.7
79.43371	0.5
81.07022	0.8
91.05450	0.5
95.08544	0.4
97.96780	0.4
98.97515	1.8
109.10119	0.8
110.97558	2.7
112.99061	0.6
116.98566	0.8
124.99063	0.4
128.98622	3.2
131.00095	0.8
137.05931	0.9
146.99629	1.0
153.02168	0.7
167.03825	1.1
169.01720	0.7
171.03276	1.0
173.11739	0.5
181.05344	0.8
185.04863	3.4
189.04292	1.0
199.06410	3.7
203.05930	2.9
205.01680	1.0
205.95076	0.4
210.02023	0.5
211.06342	0.6
213.07922	0.5
217.07480	5.7
219.03209	0.8
223.02655	1.0
223.06410	0.4
223.08412	0.7
225.04379	0.5
226.05142	1.1
231.06847	0.6
237.04391	2.7
239.09407	0.5
249.07976	0.7
251.05789	0.6
252.06561	0.4
253.11124	0.6
262.08661	1.3
267.09048	2.1
279.09045	1.3
280.09729	2.3
285.10110	0.7
289.14609	0.6
298.10843	0.9
303.11313	0.6
307.15802	1.5
331.15692	29.2
349.16843	100.0
350.17252	1.6
367.17999	2.3
372.18469	19.6
372.34625	0.9
373.18701	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.2068
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	3.2
55.01867	1.7
55.05496	4.5
58.04218	2.1
65.03917	1.6
67.05485	4.9
69.03438	6.7
69.07040	2.0
71.04987	2.1
71.52236	2.2
72.08144	1.4
72.23916	1.2
73.02904	2.9
79.05492	7.4
80.71193	1.3
81.03402	2.2
81.07050	14.4
83.04964	2.6
83.06104	2.1
83.08594	1.8
84.12519	1.1
85.02897	5.4
89.06036	8.7
91.05448	9.3
93.07030	4.5
95.04982	7.9
95.08605	6.6
97.02897	4.6
98.97589	3.5
101.06003	2.5
105.07039	8.1
107.04945	5.9
107.08599	17.4
109.02873	2.7
109.06502	6.6
109.10165	9.3
111.08117	1.4
115.05447	2.7
117.07011	2.4
119.04967	8.1
119.05915	1.3
119.08570	5.4
121.06523	1.9
121.10160	11.3
122.07297	3.8
123.03597	1.7
123.04440	30.8
123.08051	3.2
127.03841	2.2
129.06990	2.7
131.04936	1.6
131.08546	5.1
133.08539	3.8
133.10141	100.0
135.04411	2.6
135.08058	9.2
135.11681	5.2
137.05968	5.1
137.09625	59.0
139.03883	4.3
143.08556	2.3
145.10118	2.0
147.04416	19.3
147.11678	3.3
149.05974	2.8
149.09579	3.4
149.13278	9.4
151.02762	2.6
151.03914	44.2
151.11267	1.6
153.09064	2.4
157.06461	1.9
158.10957	1.6
161.05919	4.1
163.03883	4.2
163.14812	3.0
165.05513	9.0
167.07019	13.6
173.13286	9.1
175.03899	1.6
175.07474	3.3
176.04564	1.4
177.05479	5.2
187.07579	3.4
189.06979	1.5
189.09023	1.8
191.07036	2.7
191.14323	43.7
192.07809	3.0
193.15877	1.6
194.95921	1.2
201.08951	1.4
207.06477	2.3
209.15411	9.7
217.08560	6.7
218.07227	2.6
219.08182	2.9
219.10167	43.4
221.09825	1.7
235.07413	1.4
247.07594	1.8
249.09023	2.7
249.11307	2.0
251.07108	1.7
261.09366	1.6
264.07858	2.2
281.11884	1.6
286.61093	1.7
293.07858	2.3
303.08630	4.6
307.09366	2.3
321.11185	1.8
326.11377	1.5
339.12128	4.5
341.13934	3.7
351.11557	1.6
353.13818	4.6
371.09955	4.8
371.14914	13.2
371.24030	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	371.2066
Annotation	(6R,9S)-3-Oxo-alpha-ionol beta-D-glucoside
Peak:m/z	Relative Intensity
56.41254	1.9
56.83966	1.7
67.05508	2.3
69.03438	3.9
69.07055	2.1
69.37013	14.5
79.05486	3.7
81.07045	6.5
85.02901	3.7
91.05452	3.5
93.07027	2.6
103.11072	2.0
105.07018	5.7
107.08595	12.7
109.06516	3.5
109.10156	5.5
115.05521	1.9
117.06222	1.8
117.07019	2.7
119.08598	2.0
121.10148	9.4
122.07295	3.2
123.04454	2.0
123.11684	2.0
126.93577	1.8
131.08502	2.3
133.10133	100.0
135.08044	12.7
137.09615	53.9
149.13248	11.3
151.03879	4.2
160.25307	2.1
163.14804	3.1
173.13286	5.1
191.14320	40.7
209.15338	8.7
219.10120	2.6
258.11407	1.7
294.60956	1.9
353.14243	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1491
Annotation	Exiguaflavanone K
Peak:m/z	Relative Intensity
53.03940	2.8
55.01859	5.1
55.05501	5.1
56.96559	2.1
57.07053	2.7
65.03948	2.2
67.05504	7.7
68.99779	2.1
69.03419	3.7
69.07047	3.1
71.04984	1.8
71.52508	1.7
79.05509	9.3
81.03404	3.7
81.07056	14.0
83.04965	2.4
83.08588	1.9
85.02886	4.6
91.05451	7.6
93.07075	5.9
94.14663	1.3
95.04978	7.4
95.08603	6.4
97.02859	5.2
97.06513	5.0
97.10180	1.8
98.06865	1.2
98.97563	1.3
101.06025	1.7
105.03380	1.8
105.07021	4.3
107.04957	3.1
107.08572	4.4
109.02872	4.0
109.06516	1.5
109.10171	6.6
111.04430	2.5
115.05448	2.1
119.04932	13.5
119.08588	3.2
121.06486	3.0
121.10104	3.6
123.04428	51.6
123.08038	3.5
125.09641	2.3
127.03901	3.6
129.05426	1.3
129.06992	2.0
131.04941	2.0
131.08557	3.3
133.06534	2.0
133.10091	3.7
135.04390	4.7
135.08037	2.8
135.11665	2.1
137.05942	4.0
137.09593	1.6
139.03906	7.6
143.08575	1.4
145.04924	1.8
145.06483	1.6
145.10123	3.6
147.04424	33.3
149.05995	6.8
149.09602	7.4
150.15817	1.2
151.03905	100.0
159.04422	1.5
159.08038	1.6
161.06018	6.3
163.03917	8.2
163.11130	1.7
165.05489	20.9
165.12720	3.7
167.07001	10.1
168.35548	1.3
173.06020	1.7
173.11781	1.5
174.06670	1.4
175.03900	1.5
175.07570	2.8
177.05449	8.7
181.04980	1.9
181.06429	1.4
183.11626	1.7
187.07573	3.8
189.05472	4.3
191.10698	1.6
191.14310	6.4
199.03958	1.5
200.04753	1.5
201.05515	1.4
201.09174	2.2
202.06198	1.6
203.10687	2.0
207.06482	3.3
207.08237	1.7
207.10034	2.3
209.15421	2.4
217.08559	3.3
219.10165	85.9
220.10461	2.3
222.06612	1.3
231.10074	1.7
239.06894	2.5
239.19897	1.4
249.08804	1.5
249.11211	2.1
251.06935	1.3
252.07935	1.8
253.08467	2.5
255.06427	1.6
263.07004	2.1
265.04968	1.4
265.08801	1.4
266.05533	1.4
277.08609	3.0
279.06604	1.3
281.08051	3.2
285.07523	1.9
286.24741	1.3
293.08069	3.3
293.11530	1.8
295.09906	1.4
300.09839	2.4
303.08545	8.1
306.08429	1.5
309.07614	2.4
309.11136	2.7
313.10641	2.6
323.09229	6.2
326.11575	1.6
339.11990	1.8
341.10135	10.1
341.13834	2.2
353.10153	2.2
353.13907	9.4
371.15018	21.0
371.20428	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	371.1488
Annotation	Exiguaflavanone K
Peak:m/z	Relative Intensity
51.02388	0.6
52.11302	0.4
53.03938	1.0
53.22288	0.4
55.01867	1.7
55.05493	1.0
56.96564	0.6
57.07066	1.0
65.03949	1.1
67.05517	2.9
68.99784	1.2
69.03426	0.7
69.44035	0.7
69.44440	2.8
69.69195	0.4
77.03927	1.3
79.05497	4.1
81.03397	1.3
81.07057	11.7
82.56193	0.4
85.02912	0.7
91.05475	6.7
93.07036	1.2
95.04963	2.9
95.08605	2.1
98.97578	1.6
105.03394	1.0
105.07011	2.0
107.04950	1.6
107.08581	1.0
109.02875	2.8
109.10144	1.8
110.97523	0.7
115.05424	0.7
117.07005	0.8
119.04935	15.3
119.08540	0.6
121.06499	1.4
121.10091	0.5
123.04429	66.1
123.08058	3.0
124.04742	0.7
125.02342	0.9
127.03918	0.8
129.06897	0.6
131.04892	0.7
131.08560	1.1
133.06488	1.1
133.10130	2.0
135.04424	3.5
135.08070	0.8
135.11642	0.6
137.02333	0.7
137.05980	2.0
137.09595	0.9
139.03922	4.8
143.04890	1.2
145.10081	1.0
147.04410	40.6
148.04860	0.5
149.05989	5.9
149.09593	1.5
151.03903	100.0
152.04240	1.3
153.05482	1.0
155.08524	0.6
159.08023	0.5
161.05988	3.5
163.03894	3.6
163.07541	0.8
165.05486	27.6
167.06979	1.0
171.34273	0.6
173.06012	0.9
173.09583	0.7
175.07491	0.5
177.05484	7.9
177.09119	1.2
179.07008	1.1
181.04968	2.4
187.07631	0.6
189.05449	1.3
191.07007	1.0
191.10696	1.0
191.14325	0.6
192.64125	0.4
193.04907	0.9
195.10214	0.6
201.09134	1.6
203.10678	0.8
207.06557	2.9
207.10167	1.5
217.08585	0.6
219.01744	1.1
219.10159	91.3
220.10588	1.4
223.16550	0.5
231.10155	1.8
237.02768	0.6
249.11208	2.8
285.07541	0.9
303.08643	13.3
353.13745	4.1
371.14874	18.0
389.14771	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.0975
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	0.3
56.96562	1.3
65.03936	0.5
67.05491	1.0
68.99446	0.5
68.99794	5.7
69.00170	0.4
69.03429	1.1
70.06574	0.5
71.51419	0.3
73.04761	1.3
81.03406	0.9
83.04985	2.2
84.08109	0.4
85.02898	1.1
87.00831	0.3
89.03910	1.0
91.05840	1.7
93.03423	0.7
95.04942	0.6
97.02884	0.4
98.97589	0.9
101.06018	0.5
107.04945	0.5
109.02882	0.3
110.97564	0.3
111.04453	4.2
115.93985	0.3
116.98616	0.3
117.03368	1.0
117.71562	0.2
121.02853	0.5
123.04435	1.2
124.99133	0.4
127.03963	0.4
129.05486	1.5
130.04967	0.4
133.02946	0.6
135.04416	1.5
137.02345	100.0
138.02695	0.7
139.03879	1.5
143.00137	1.3
145.02847	0.9
151.03871	0.8
161.01183	0.6
161.02390	1.2
163.03903	6.5
164.04240	0.7
177.05450	0.4
179.03410	11.8
180.03764	0.3
197.04462	20.8
199.06021	0.3
217.07056	2.8
219.01790	0.4
224.16510	0.3
237.00778	0.6
237.02921	1.0
285.01007	0.7
317.05475	0.6
345.55524	0.3
353.08670	1.9
355.06970	0.8
371.12790	0.5
371.17038	0.5
371.21442	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	370.2954
Annotation	Unknow
Peak:m/z	Relative Intensity
54.09069	11.9
56.96564	25.9
59.04439	11.2
67.05502	35.4
69.07052	15.3
71.48317	14.1
79.05496	18.4
81.07056	27.6
91.44071	11.5
93.07029	16.5
95.08620	22.9
105.07043	19.3
107.08635	17.3
109.10145	17.0
147.11708	11.5
149.02304	11.5
154.21446	13.5
167.99802	11.8
177.00191	22.7
184.07480	13.5
190.00977	17.8
230.42722	14.4
283.54016	13.0
307.22693	100.0
317.04950	13.6
325.23740	24.1
329.19711	13.4
367.05676	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	370.2589
Annotation	Unknow
Peak:m/z	Relative Intensity
52.85736	26.0
55.05503	45.7
56.96549	64.0
67.05492	85.9
69.07053	59.7
70.09409	56.8
70.09817	93.0
79.05497	71.2
81.03392	30.4
81.07041	93.2
85.02901	62.7
91.05486	55.4
93.07034	91.0
95.04942	40.6
95.08604	57.6
97.06525	53.8
98.20882	43.0
98.97581	41.1
105.07027	100.0
107.08584	71.6
109.06522	61.6
109.10145	66.8
109.21027	28.3
119.08580	34.4
121.06548	31.6
131.08545	51.4
133.10066	38.5
145.52347	33.1
153.95006	29.5
173.14867	32.7
192.79338	27.4
222.23891	32.4
345.42175	34.4
352.31970	41.5
370.23596	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	370.2742
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17970	0.6
55.05497	1.4
56.05036	0.8
61.86273	0.5
62.27868	0.6
67.05487	2.4
69.07036	1.7
69.43365	0.6
71.52337	1.1
74.06092	0.9
78.24665	0.7
81.07050	1.9
81.49875	0.6
82.52871	0.6
83.08604	0.7
84.71003	0.6
88.07633	3.2
95.08581	1.3
109.10168	1.5
130.06531	0.9
131.07315	2.0
132.08067	0.7
132.42906	0.6
144.08063	1.3
145.08873	0.6
146.09595	1.2
156.08075	1.1
158.09630	1.9
159.10466	1.8
160.11200	5.4
170.09634	1.9
171.10461	0.7
172.11223	8.0
174.12810	1.5
183.10417	0.7
184.11220	4.5
185.11977	1.1
186.12788	2.4
188.14359	1.8
198.12801	4.8
199.13524	1.0
200.14340	1.7
202.15956	1.2
210.12762	0.9
212.14366	4.7
214.15926	1.7
226.15918	3.8
229.07571	0.8
240.17506	1.3
312.19391	1.2
326.21054	0.7
340.23093	0.8
352.26315	8.1
370.27429	100.0
370.32547	4.8
371.27820	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	370.2587
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	19.0
55.05500	30.7
55.88509	7.5
56.96569	22.3
57.03438	28.7
60.04514	10.4
61.02918	15.6
67.05503	100.0
69.03437	16.1
69.07064	25.3
69.55176	32.8
69.55581	20.6
71.04988	9.3
71.08643	15.0
72.16801	7.3
78.99461	6.8
79.05499	56.3
81.03417	22.7
81.07058	86.0
83.04993	22.5
83.08643	13.9
85.02918	18.7
85.06548	14.6
91.05473	54.1
93.07046	57.3
93.57073	6.9
95.04984	47.4
95.08604	50.7
97.02902	26.3
97.06533	7.9
98.97599	8.0
99.04474	9.0
99.08116	11.7
100.11222	11.6
105.07044	49.6
107.04987	61.6
107.08611	35.8
109.06532	28.2
109.10149	44.5
111.04452	16.7
111.08090	11.5
117.06983	13.6
119.04883	8.6
119.08590	41.5
121.06502	22.1
121.10103	13.4
122.07304	25.3
123.08053	10.1
123.41832	7.6
129.07025	15.4
131.08568	28.5
133.10161	16.3
135.08015	15.1
135.11664	16.3
137.09627	18.9
143.08458	11.5
145.06512	15.1
147.08026	20.2
147.11642	10.7
151.07550	9.3
151.11229	12.9
159.11699	14.1
161.09599	22.0
163.11157	15.2
171.08052	8.4
171.11661	13.0
173.11757	24.1
173.13229	8.6
175.11186	44.3
177.05574	9.6
193.12151	7.8
205.15909	14.3
215.14355	9.6
229.07599	38.5
229.14363	16.5
233.15332	44.9
247.08501	12.6
251.14203	8.4
251.16510	32.9
253.75449	9.3
255.09068	10.7
273.18472	15.0
278.21799	12.7
281.10751	9.1
283.08426	16.1
289.18326	9.5
290.18848	43.2
291.19528	19.0
293.21063	11.4
293.62006	9.2
315.11426	8.5
323.60941	8.7
325.20410	25.2
331.15735	13.4
347.15021	8.3
349.16696	38.1
352.25717	15.2
370.26352	54.5
394.11899	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	370.113
Annotation	Unknow
Peak:m/z	Relative Intensity
50.34648	0.8
51.02357	0.7
51.52882	0.7
53.03942	1.2
55.01850	1.6
55.05513	1.7
57.03415	1.0
65.03926	2.6
67.05502	6.8
68.99797	1.7
69.03445	4.2
70.06595	2.0
70.46719	0.9
71.03429	1.7
71.04964	1.1
77.03919	1.8
79.05486	1.7
81.03407	2.0
83.04987	12.5
85.02882	5.6
85.06545	1.0
89.03919	1.9
93.03407	5.8
93.78969	0.8
95.04972	9.2
97.02859	1.2
105.03382	6.9
105.04479	1.3
107.04958	20.5
109.02859	2.8
111.04439	18.9
117.03383	1.3
118.03678	1.5
121.02866	2.9
123.04433	9.2
129.05498	8.8
133.02858	29.6
135.04457	1.1
139.03911	13.9
145.02914	4.0
145.08626	1.6
146.03178	4.2
147.04410	1.7
151.03897	14.6
153.01807	0.8
157.04985	12.8
161.02341	20.2
163.03935	1.4
175.06012	11.3
177.05447	6.6
178.05814	9.9
179.03397	100.0
180.03749	0.8
203.05519	1.2
222.06325	1.9
250.05786	1.8
257.04462	1.0
258.04648	1.0
260.03116	2.1
261.03564	4.2
262.04282	2.3
264.02258	0.9
272.06448	1.3
273.03961	5.9
274.04266	16.3
278.05310	2.7
281.04819	1.2
285.03680	1.7
286.04315	2.5
286.07712	1.2
288.02203	1.1
296.06378	5.8
297.03903	1.0
298.04211	1.7
299.05179	1.2
300.02502	0.8
300.05829	2.9
306.04880	2.3
314.07449	5.6
324.05878	6.9
334.04028	1.1
335.04443	1.0
342.06757	2.1
352.05338	26.0
353.08688	3.6
370.06375	37.4
370.23203	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	369.2637
Annotation	Unknow
Peak:m/z	Relative Intensity
51.90396	3.3
53.03941	4.6
55.01873	8.2
55.05514	33.4
56.96564	8.2
57.03443	13.8
57.07061	10.6
61.02957	2.9
67.05509	82.1
69.03423	6.1
69.07071	33.6
71.04981	7.3
71.08639	42.9
79.05492	47.8
81.03413	13.2
81.07060	57.7
83.04970	15.3
83.08624	18.3
85.02905	5.7
85.06544	4.4
85.10189	18.3
91.05491	35.1
93.07056	50.9
95.04994	23.4
95.08614	37.0
97.06541	11.6
97.10201	17.8
98.97575	5.3
99.04456	3.3
99.08106	31.9
103.14688	3.3
105.07043	31.4
107.04960	6.4
107.08603	36.6
109.06521	12.8
109.10153	41.7
111.08088	8.4
113.09633	13.1
117.07034	9.3
119.08581	22.1
121.06400	2.9
121.10155	21.8
123.08116	4.4
123.11699	5.2
125.09647	15.2
129.07040	5.1
130.93307	4.5
131.08572	13.0
133.10120	20.8
135.07977	4.0
135.11653	14.9
137.09615	4.3
143.08531	4.9
145.06564	3.5
145.10114	9.1
147.11748	16.3
149.09636	6.9
149.13239	9.7
151.11217	49.6
157.10054	3.6
159.11639	8.9
160.91011	3.1
161.13286	15.6
163.03923	3.8
163.11194	11.4
163.14847	3.5
165.12743	23.4
171.11743	7.3
172.94412	17.6
173.11838	14.8
175.11211	4.3
175.14822	5.6
179.14278	9.4
185.13214	4.4
189.11180	12.7
190.95387	11.1
214.95430	3.3
227.12784	12.1
229.07481	9.2
232.96521	17.4
241.19513	5.8
245.13809	10.8
247.08473	7.9
250.97470	8.5
253.18004	6.0
255.97871	3.8
259.20532	13.5
269.17438	6.7
276.65384	4.0
277.21640	100.0
283.11966	4.4
295.22702	67.4
309.76773	2.9
347.15112	6.3
351.25302	47.6
365.16373	5.7
369.13058	5.4
369.26224	24.1
369.31064	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	369.2638
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	4.8
55.01876	8.1
55.05510	37.0
56.96563	21.9
57.03447	16.0
57.07061	7.5
59.04996	5.9
60.82670	3.5
61.02918	5.3
64.66129	3.4
66.96594	3.8
67.05508	100.0
69.03421	10.5
69.07082	32.6
70.03570	13.8
71.04981	6.2
71.08630	26.0
73.02905	7.9
76.24681	3.3
79.05497	52.7
81.03416	13.9
81.07064	71.2
83.04967	12.2
83.08611	22.4
85.02913	7.5
85.06535	5.8
91.03957	7.2
91.05476	38.6
93.07060	57.5
95.04961	21.9
95.08614	41.7
97.02888	5.1
97.06530	15.0
97.10155	15.3
98.85887	4.3
98.97587	5.8
99.08106	27.5
105.07029	36.7
107.04961	8.5
107.08599	35.4
109.06538	7.3
109.10162	46.2
111.08073	10.0
117.07021	13.9
119.08591	23.2
121.06512	7.1
121.10165	18.3
123.08031	5.9
123.11693	7.9
125.09620	7.1
127.03859	3.6
129.07002	7.6
130.93359	4.5
131.08563	12.7
133.10126	22.4
135.11694	21.4
137.13141	4.7
142.07770	3.5
143.08543	5.4
145.10143	11.4
147.08070	5.7
147.11728	16.4
147.12712	3.4
149.09650	4.0
149.13289	11.9
151.11203	38.7
151.54970	3.2
157.10173	6.3
159.11658	9.1
161.09657	4.8
161.13263	17.1
163.11200	11.7
163.14731	4.6
165.12791	6.2
171.11674	7.1
172.94298	13.6
173.11736	20.3
173.13124	6.2
175.14828	3.7
177.05544	3.8
177.12701	5.9
179.14282	12.3
181.21623	3.1
185.13278	7.2
189.11211	11.0
190.95476	17.3
195.13884	7.0
199.14775	3.7
205.46648	3.1
207.06300	4.2
207.13867	3.4
208.96361	3.6
211.06424	4.5
211.70479	3.0
213.96849	5.5
214.95354	6.5
215.14861	3.4
217.07394	5.7
218.50377	3.4
227.12701	6.3
229.07484	16.6
229.14296	6.7
232.96373	21.2
241.19466	8.6
245.13943	7.9
247.08470	12.1
250.97556	13.0
259.20578	14.2
269.17529	28.2
277.21606	68.3
277.24411	6.0
283.11990	9.7
322.96210	4.9
329.14127	4.7
347.15396	21.3
348.15958	3.4
349.17035	4.3
351.25305	43.1
365.16312	11.4
369.17432	5.1
369.26669	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	369.2639
Annotation	Unknow
Peak:m/z	Relative Intensity
50.30574	3.2
53.03945	12.5
53.48228	3.2
53.87606	3.1
55.01875	6.6
55.05517	23.2
56.40432	3.9
56.96562	3.6
57.03423	4.6
57.07066	6.4
61.57259	3.4
65.03906	3.7
65.05061	4.1
67.05505	56.6
69.03428	9.3
69.07069	34.3
69.71620	3.3
71.08630	4.8
71.52948	5.2
73.13766	3.7
79.05502	39.9
80.22251	3.1
81.03421	53.0
81.07064	47.0
83.04983	12.9
83.08620	7.9
91.05462	20.1
93.07048	37.6
95.04968	38.1
95.08636	21.9
97.06529	6.1
97.10164	4.1
99.08120	5.7
105.07024	23.5
107.08618	26.2
107.41567	3.5
109.06544	7.4
109.10145	24.8
111.08149	6.1
119.08593	17.1
121.10168	13.9
123.11704	5.8
125.09624	7.0
129.07034	5.3
130.93349	3.6
131.08588	7.8
133.10147	20.4
135.08084	4.9
135.11710	10.0
145.10167	8.4
147.11743	17.4
149.13251	6.0
151.11180	33.4
153.09174	3.8
157.10167	6.8
161.13309	12.4
165.12804	9.1
172.94353	11.2
172.95709	3.9
175.14810	5.2
179.14366	7.7
190.95403	11.9
207.13809	4.0
208.96460	4.2
217.19511	4.5
229.07513	4.7
231.21074	4.8
232.96471	19.5
234.31161	4.5
241.19481	5.0
250.97554	12.8
259.20532	6.9
277.21652	100.0
280.94998	5.0
295.22742	4.7
348.13989	3.7
351.25305	67.6
369.24139	11.5
369.28207	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	369.2637
Annotation	Unknow
Peak:m/z	Relative Intensity
51.34486	1.6
53.03943	5.2
53.69281	1.4
54.69188	1.5
55.01860	3.0
55.05517	15.9
57.03432	7.3
57.03681	1.6
57.07082	5.1
59.67232	1.6
65.03932	2.2
67.05508	43.2
69.07069	16.6
71.05008	2.6
71.08241	2.3
71.08635	42.7
79.05501	45.3
81.03421	6.0
81.07056	53.0
83.04965	11.2
83.08602	9.5
85.06534	2.4
91.05487	30.7
93.07046	62.3
93.07642	3.1
95.04981	9.1
95.08614	37.0
97.06541	9.3
97.10172	3.9
98.20789	3.4
99.08096	27.1
105.07037	20.8
107.04957	7.9
107.08599	34.5
108.60656	1.4
109.06529	5.0
109.10171	14.3
111.08101	3.3
113.09662	3.9
117.07040	4.7
119.08582	17.8
121.06476	2.0
121.10159	31.5
123.11665	2.8
129.07028	2.7
131.08577	5.3
133.10152	13.9
135.11697	37.0
137.09668	2.9
139.11168	2.0
141.09100	5.3
143.08571	2.0
145.10127	3.2
147.11705	6.4
149.09703	1.8
149.13266	8.7
151.11195	14.0
153.12704	2.4
157.10159	2.7
159.11678	4.7
161.13249	13.1
163.11208	6.5
165.12746	6.3
167.10667	2.8
171.11751	2.5
172.94406	5.2
173.11758	3.4
173.13254	2.3
175.14862	3.4
177.12828	3.8
179.14322	100.0
181.80968	1.6
189.12761	3.9
190.95393	2.4
195.13855	2.8
207.13918	2.5
221.15547	3.4
229.07964	2.1
232.96472	8.5
235.16959	5.9
241.19461	2.0
250.97536	3.7
259.20584	5.9
275.96704	1.5
277.21628	60.6
278.21716	2.3
283.12488	1.7
322.95868	1.9
351.25305	76.3
351.29648	3.6
352.25626	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.2173
Annotation	Methoxyfenozide
Peak:m/z	Relative Intensity
53.03951	2.1
55.01857	1.5
55.05505	3.5
56.96555	4.2
57.03439	2.7
57.07059	1.2
59.04980	1.1
60.84026	1.0
61.02920	2.1
65.03942	2.0
67.05502	11.9
69.03414	2.8
69.07074	6.8
71.53078	1.1
79.05495	5.4
81.03410	1.9
81.07047	7.3
83.04971	0.9
83.08604	1.6
85.02901	2.3
85.03424	1.0
91.03930	1.1
91.05483	14.8
93.07042	11.3
95.04954	3.5
95.08605	5.5
97.02908	2.4
97.06507	2.6
97.10159	1.1
98.97564	2.0
101.02361	1.0
105.07034	8.6
107.04845	1.2
107.08587	2.5
109.02885	1.5
109.06505	4.4
109.10164	9.2
111.08051	1.2
113.09652	1.3
116.98610	1.3
119.06082	2.4
119.08566	2.5
121.10107	2.1
123.08052	3.8
125.09628	1.6
127.03919	1.9
130.93341	1.4
131.08549	1.9
133.06508	21.6
133.07576	2.3
133.10138	1.9
139.07565	1.4
145.10100	2.2
147.11714	1.3
149.05988	100.0
149.09512	2.6
165.12724	1.3
172.94342	5.2
173.11748	2.5
173.13187	1.2
184.07356	1.1
190.95374	6.2
199.06342	2.5
201.16406	1.2
208.96405	1.8
214.95390	1.6
217.07574	1.6
229.07495	8.4
229.14317	3.2
232.96407	6.6
247.08575	6.7
250.97504	3.4
252.09044	1.8
277.21661	3.7
280.94858	1.2
283.12009	2.3
285.10052	2.2
292.12442	1.5
313.15457	1.2
322.95895	1.4
347.15390	3.2
351.25479	1.3
365.16324	3.2
369.16028	1.4
369.23535	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.1335
Annotation	Glyasperin M
Peak:m/z	Relative Intensity
53.03939	0.8
55.01869	1.8
55.05506	0.7
57.03434	1.0
63.38432	0.7
65.03937	1.9
67.05501	2.0
68.02524	0.7
68.99792	3.0
69.03421	2.8
69.07069	1.9
79.05495	1.6
81.03424	3.7
81.07037	1.1
83.04984	1.1
85.02911	1.8
87.04538	0.7
89.03922	0.7
91.05031	0.7
91.05485	6.4
93.03410	0.9
93.07037	0.9
95.04968	1.3
95.08601	0.7
97.02895	2.4
97.06510	3.2
98.97588	0.7
103.05454	2.0
105.03389	1.0
105.07027	1.2
107.04982	0.9
107.08613	0.8
109.02895	1.1
109.06528	0.7
111.00797	2.1
111.04449	4.6
115.05467	1.6
117.03437	1.1
117.07027	1.5
118.90582	0.6
119.04951	7.7
119.08640	1.0
121.02845	1.8
123.03587	0.8
123.04446	12.4
123.08109	0.7
127.03949	0.8
128.06270	0.9
129.07011	2.1
131.04953	4.0
131.08586	1.0
135.04422	1.8
137.06007	1.3
139.03912	100.0
141.25551	0.7
143.08591	1.1
144.84508	0.7
145.02856	2.2
145.06523	1.8
145.10138	2.2
147.04425	6.5
149.06004	6.7
151.03905	3.2
153.05490	1.7
153.07022	1.0
155.08582	2.0
157.06447	1.8
159.08011	1.0
160.05217	2.0
161.06017	7.1
161.09698	0.8
163.03920	30.4
163.07529	1.0
165.05470	1.2
165.06854	0.8
167.03569	0.9
167.07074	2.0
167.08568	1.1
169.06520	1.0
169.10217	1.3
171.08066	1.4
173.05994	2.7
173.09676	3.0
174.06815	1.0
175.03928	12.9
175.07561	3.1
176.04691	0.8
177.05461	5.6
177.09119	1.4
179.03406	9.6
179.07007	1.0
179.08513	1.5
181.05028	2.4
183.08038	0.7
183.11874	0.6
186.06798	1.4
187.07556	2.2
189.09129	6.8
191.07077	1.4
191.10672	7.9
195.08078	1.1
197.05997	1.9
197.09662	2.3
199.07562	0.8
200.08406	2.1
201.05482	1.7
201.09094	12.4
203.07124	1.0
203.10657	1.8
205.08679	1.4
207.06514	17.8
211.07558	0.8
213.09134	2.5
215.10709	9.1
217.08659	1.1
219.10185	19.4
221.06093	1.4
225.09235	3.4
231.10152	6.1
239.07111	1.1
241.08934	1.0
243.10158	8.7
257.11734	0.8
267.06598	1.4
271.06201	1.4
276.07874	0.9
279.06430	1.0
282.05414	1.2
283.05997	2.7
285.07501	0.7
295.06046	7.9
296.06857	0.7
305.08209	0.9
309.07596	1.4
313.07111	11.7
313.10663	1.2
314.07272	0.7
317.05042	1.0
321.07932	1.0
322.08289	2.1
323.09030	1.5
323.12772	0.9
325.10648	3.6
337.10791	2.4
339.12329	0.8
351.12302	11.5
369.13394	16.6
369.23090	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.1335
Annotation	Glyasperin M
Peak:m/z	Relative Intensity
55.01865	2.9
55.05516	2.4
56.96569	1.2
57.07063	4.1
67.05504	3.0
68.99782	4.8
69.03431	3.0
69.07050	2.4
70.63202	2.6
79.05483	3.7
79.26012	0.9
81.03397	3.0
81.07052	1.9
83.04972	2.0
85.02906	3.0
85.06543	4.0
89.03912	1.5
91.05477	7.7
93.03403	1.4
93.07083	1.3
95.04958	1.3
95.08619	1.8
97.02893	3.2
97.06528	5.6
98.97581	2.1
103.05479	2.5
105.07012	1.4
107.04974	2.1
107.08605	1.8
109.02898	1.8
109.06531	1.1
109.10184	1.4
111.00815	2.6
111.04458	5.9
115.05438	3.6
117.03374	2.4
117.07007	1.9
119.04955	8.0
119.08611	3.0
123.04449	15.6
124.07602	1.5
127.03918	1.5
129.07008	3.8
131.04906	8.6
131.08537	1.5
135.04396	2.6
137.05984	2.1
139.03908	100.0
141.07051	1.2
143.04929	5.3
143.08601	1.1
145.02844	4.3
145.06456	1.8
145.10168	2.7
147.04417	9.6
149.02344	1.2
149.05971	10.2
151.03894	2.7
154.96689	1.1
155.08534	2.1
157.06567	2.2
159.04486	1.6
160.05209	2.1
161.05986	13.6
162.06747	1.2
163.03906	48.1
167.03415	11.4
167.08557	2.1
169.10109	1.7
173.05981	10.7
173.09587	4.9
174.06770	1.9
175.03928	13.1
175.07559	3.5
176.04684	2.0
177.05475	14.2
178.05843	1.3
179.03442	1.1
179.07089	1.2
179.08495	1.5
183.08070	1.6
185.06015	1.4
185.09631	2.8
187.07623	2.4
189.05467	12.6
189.09157	3.0
191.10669	7.8
193.08586	1.0
195.08049	4.1
197.06076	2.9
199.07497	1.8
201.05544	2.3
201.09026	5.5
203.10681	4.3
205.08554	1.8
207.06541	21.7
207.08389	1.6
211.07513	1.3
213.05482	1.3
213.09102	4.2
215.07126	1.3
215.10616	5.3
219.10165	31.3
219.12259	1.6
225.09160	2.7
227.07187	1.2
231.10199	12.8
236.09161	6.1
237.05435	2.4
239.07039	1.9
241.08521	1.2
243.10283	5.9
250.06146	1.3
263.07153	1.7
266.05710	1.5
276.07748	1.2
279.06503	1.5
280.36548	1.0
281.08212	1.1
282.05191	2.2
283.06000	8.3
283.12445	1.3
285.07617	5.2
285.10873	2.0
291.06622	1.3
293.07693	0.9
295.06015	10.6
296.06949	1.4
297.07462	1.9
308.06833	8.4
309.07617	10.4
313.07111	1.2
321.07513	1.6
322.08429	2.4
325.10675	4.0
333.11185	1.2
337.10596	2.3
339.12344	5.8
341.13849	5.6
351.12286	33.5
368.63492	1.9
369.13364	50.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.1182
Annotation	3-O-Feruloylquinic acid
Peak:m/z	Relative Intensity
52.08707	0.4
53.27619	0.4
54.77130	0.4
55.01861	0.4
64.75141	0.4
70.90759	0.9
76.27660	0.3
83.04988	0.7
87.74621	0.4
89.03925	5.8
91.05512	0.5
106.04170	0.5
117.03389	18.9
118.03705	0.4
121.07597	0.4
134.03630	1.7
135.04408	0.5
145.02852	47.6
149.05997	6.8
177.05479	100.0
178.05852	1.0
195.06453	0.5
327.41071	0.4
369.15433	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.1334
Annotation	Glyasperin M
Peak:m/z	Relative Intensity
53.03956	0.7
55.01864	2.0
55.05516	0.7
56.96568	0.5
57.03432	0.7
62.48451	0.5
65.03932	1.7
67.05493	2.3
68.99796	2.2
69.03419	2.5
69.07052	2.1
69.41284	2.0
69.41714	2.4
77.03954	0.7
79.05486	2.1
79.22739	0.6
81.03413	2.7
81.07063	1.4
83.04980	1.5
85.02911	1.6
91.05476	5.8
93.03403	1.8
93.07054	1.0
95.04966	1.4
97.02866	2.1
97.06523	2.8
98.97590	0.6
103.05463	1.9
105.03407	0.7
105.07027	1.6
107.04932	1.0
109.02921	1.3
111.00832	1.4
111.04447	4.4
111.08112	0.6
113.06033	0.6
115.05450	1.2
117.03396	0.9
117.07012	0.9
119.04951	5.6
119.08574	1.4
121.02862	1.1
123.04433	14.4
125.05974	0.7
127.03941	1.1
128.06238	0.7
129.07002	1.9
131.04958	4.9
131.08557	1.0
135.04437	1.7
137.05994	1.1
139.03909	100.0
141.06985	0.9
143.08543	2.1
145.02853	2.4
145.06523	1.8
145.10118	2.0
147.04413	6.2
147.08064	0.8
149.05992	8.2
151.03893	6.5
151.07532	0.7
153.05489	2.9
153.07028	0.8
154.07817	0.9
155.08563	1.9
157.06546	1.0
159.08047	1.4
160.05193	3.8
161.05998	11.4
163.03915	30.5
164.04443	0.7
165.05470	1.4
165.06885	0.9
167.03401	1.2
167.07076	1.7
167.08467	0.9
168.05673	0.7
169.06500	1.3
169.10159	2.1
171.08054	1.3
173.06012	3.7
173.09615	2.5
174.06825	1.2
175.03911	8.1
175.07542	5.3
177.05463	5.1
177.09100	1.4
179.03398	8.9
179.08463	1.0
181.04951	2.3
181.06442	0.9
183.08031	1.6
185.05919	1.2
186.06830	1.5
187.07552	2.7
189.05510	1.1
189.09120	10.4
191.07071	1.5
191.10664	10.1
195.08086	1.3
197.05972	1.3
197.09641	2.3
199.07474	1.4
200.08362	1.9
201.05472	1.8
201.09120	17.6
203.08856	0.8
203.10704	2.7
205.08566	1.1
207.06517	15.4
210.06816	1.8
211.07486	1.3
213.09206	3.2
214.06287	1.1
215.07150	1.2
215.10695	9.6
217.08691	1.5
219.08157	1.0
219.10170	27.0
225.09166	4.3
227.07175	0.7
231.10130	5.4
239.10678	0.9
241.08636	1.2
243.10184	8.7
255.06548	0.7
265.08646	0.9
267.06534	0.8
267.10168	0.9
276.07840	0.8
279.10257	0.6
282.05246	1.3
283.06055	3.0
285.07721	1.0
295.06055	4.9
295.09256	0.9
296.06799	0.9
297.07700	1.1
305.08255	1.1
308.07068	0.9
309.07550	3.1
311.05325	0.9
313.07108	7.4
321.07596	2.1
322.08383	2.5
323.09119	1.9
325.10635	4.5
333.11188	1.0
337.10678	4.3
339.12448	0.8
341.13626	0.9
351.12332	13.4
369.06372	1.1
369.13382	18.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.1183
Annotation	Unknow
Peak:m/z	Relative Intensity
53.91001	0.6
56.96555	0.6
57.03423	0.8
61.76955	0.5
67.05499	0.6
69.51215	2.6
69.51626	1.0
71.01337	0.6
74.31689	0.6
79.05492	0.7
85.02885	1.1
87.04443	0.7
87.77856	0.5
89.03931	8.2
91.05471	1.2
95.04984	0.6
95.66522	0.5
98.21438	1.1
99.04446	0.8
105.03392	14.1
105.04487	0.8
106.62202	0.5
111.04413	0.8
117.03385	19.8
123.04399	0.7
134.03629	1.3
135.04399	1.4
139.03909	1.6
145.02847	54.7
146.04839	0.6
149.05974	8.4
162.03136	0.7
163.03932	1.6
177.05475	100.0
178.05858	1.4
179.07004	5.1
185.65627	0.6
207.06564	2.8
359.23459	0.7
369.13336	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	368.28
Annotation	Unknow
Peak:m/z	Relative Intensity
53.45189	20.3
55.05506	34.2
67.05503	33.4
69.07068	41.3
70.02839	70.4
70.03238	47.7
70.38959	23.8
79.05493	36.2
81.07072	68.9
83.08623	28.5
91.05472	55.7
93.07034	77.6
94.07365	30.3
95.08610	62.8
100.66669	23.2
101.63052	24.1
105.07046	100.0
106.07356	37.8
107.08637	45.9
108.08920	54.8
109.10091	23.8
110.10481	29.8
119.08578	69.1
120.08908	69.7
121.10167	55.7
122.10497	28.6
131.08559	60.1
132.08946	38.4
133.10161	43.7
134.10400	25.7
135.11758	28.0
143.08575	46.5
145.10136	38.9
146.10403	39.2
157.10121	44.2
158.10501	31.3
159.11610	36.0
161.09581	35.7
184.07259	33.8
269.18332	27.3
287.94144	23.8
368.42569	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	368.2798
Annotation	Unknow
Peak:m/z	Relative Intensity
53.45119	3.5
55.05508	4.1
56.96568	9.8
61.02917	3.7
61.62783	4.6
67.05495	17.2
69.07061	6.5
69.22984	39.1
79.05486	11.9
80.34583	3.9
81.07052	9.5
91.03944	4.7
91.05524	8.1
93.07043	8.1
95.04974	5.1
95.08598	10.6
95.81112	4.8
96.04495	100.0
97.06477	4.9
98.97612	4.5
105.07040	10.5
107.08534	6.5
109.10158	10.7
111.04482	4.5
117.07086	4.1
119.04995	4.4
119.08598	5.3
121.10175	5.0
132.49756	4.0
133.10155	6.7
139.03900	9.7
145.10098	5.6
147.04382	4.0
159.11736	4.2
172.94362	9.2
190.95232	4.8
202.99127	4.6
229.07391	5.2
231.06454	5.0
232.96487	8.6
247.08707	4.6
273.11099	4.3
276.05646	4.0
291.19183	5.5
305.21072	86.7
323.22113	13.6
368.15012	7.0
368.31088	4.9
368.42551	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	368.2433
Annotation	Unknow
Peak:m/z	Relative Intensity
52.39207	0.9
53.03946	2.1
54.11918	0.8
55.01876	4.7
55.05269	1.7
55.05515	22.3
56.30780	0.9
56.96564	1.3
57.03436	4.0
57.07055	1.2
58.06612	6.1
58.06835	1.0
59.04994	1.2
60.04530	22.8
66.15690	1.0
67.05506	19.1
68.05034	0.9
69.03426	3.7
69.07069	13.0
70.06581	2.9
70.64257	2.0
71.05000	7.6
72.04551	1.5
72.08144	1.5
79.05499	21.0
80.05005	1.4
81.03400	2.5
81.07057	20.1
83.04989	3.2
83.08626	10.9
84.08144	11.0
85.02898	1.4
85.06547	3.8
86.09710	30.2
88.07620	3.7
91.05489	12.8
93.07055	20.5
94.06573	2.1
95.04985	4.9
95.08606	9.3
96.08139	2.4
97.02885	1.6
97.06539	7.1
97.10172	18.8
100.07621	3.8
105.07048	11.8
106.06578	1.4
107.04955	4.4
107.08599	9.3
108.08178	1.7
109.06512	5.3
109.10144	4.3
110.06055	3.6
110.09750	1.5
111.08072	3.3
112.07610	28.6
113.06004	3.0
114.09164	1.4
117.07034	5.0
119.08576	7.8
120.08118	1.5
121.06509	3.1
121.10136	9.3
122.09674	5.6
123.08066	3.7
124.07598	2.5
125.09645	13.2
128.10724	29.7
129.07022	1.5
130.08644	2.4
131.08560	11.2
132.08115	1.3
133.06528	1.3
133.10176	4.0
134.09676	1.3
135.08064	4.2
135.11694	3.7
137.09584	1.7
138.12772	3.1
143.08580	3.5
145.06442	1.3
145.10143	6.5
146.09637	2.4
147.08037	1.9
147.10519	1.7
147.11696	2.4
148.11218	3.7
149.09616	1.4
149.13283	1.3
154.08626	9.5
155.08582	1.2
156.10210	2.4
159.11684	4.3
161.09644	1.8
163.03931	2.1
163.11142	1.8
164.10689	1.5
169.10100	1.2
171.10204	1.3
171.11694	1.6
172.09697	10.8
175.11340	1.2
177.12743	1.4
180.13832	14.4
181.12102	1.2
187.11264	2.2
189.11234	8.6
189.16521	1.1
189.84514	1.0
194.22736	1.0
195.13820	1.3
217.15889	1.4
221.15396	1.2
223.13399	4.0
232.96568	1.3
248.16522	1.4
255.17387	1.5
263.20041	1.5
269.19180	1.2
270.69501	1.1
272.20084	4.1
273.15747	1.6
273.18506	9.7
290.21182	19.4
291.19443	9.3
308.22226	12.5
309.17371	1.8
327.18326	1.8
332.22235	3.1
345.19977	1.3
350.19626	0.9
350.23267	47.3
368.24359	100.0
369.24496	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	368.2433
Annotation	Unknow
Peak:m/z	Relative Intensity
52.39207	0.9
53.03946	2.1
54.11918	0.8
55.01876	4.7
55.05269	1.7
55.05515	22.3
56.30780	0.9
56.96564	1.3
57.03436	4.0
57.07055	1.2
58.06612	6.1
58.06835	1.0
59.04994	1.2
60.04530	22.8
66.15690	1.0
67.05506	19.1
68.05034	0.9
69.03426	3.7
69.07069	13.0
70.06581	2.9
70.64257	2.0
71.05000	7.6
72.04551	1.5
72.08144	1.5
79.05499	21.0
80.05005	1.4
81.03400	2.5
81.07057	20.1
83.04989	3.2
83.08626	10.9
84.08144	11.0
85.02898	1.4
85.06547	3.8
86.09710	30.2
88.07620	3.7
91.05489	12.8
93.07055	20.5
94.06573	2.1
95.04985	4.9
95.08606	9.3
96.08139	2.4
97.02885	1.6
97.06539	7.1
97.10172	18.8
100.07621	3.8
105.07048	11.8
106.06578	1.4
107.04955	4.4
107.08599	9.3
108.08178	1.7
109.06512	5.3
109.10144	4.3
110.06055	3.6
110.09750	1.5
111.08072	3.3
112.07610	28.6
113.06004	3.0
114.09164	1.4
117.07034	5.0
119.08576	7.8
120.08118	1.5
121.06509	3.1
121.10136	9.3
122.09674	5.6
123.08066	3.7
124.07598	2.5
125.09645	13.2
128.10724	29.7
129.07022	1.5
130.08644	2.4
131.08560	11.2
132.08115	1.3
133.06528	1.3
133.10176	4.0
134.09676	1.3
135.08064	4.2
135.11694	3.7
137.09584	1.7
138.12772	3.1
143.08580	3.5
145.06442	1.3
145.10143	6.5
146.09637	2.4
147.08037	1.9
147.10519	1.7
147.11696	2.4
148.11218	3.7
149.09616	1.4
149.13283	1.3
154.08626	9.5
155.08582	1.2
156.10210	2.4
159.11684	4.3
161.09644	1.8
163.03931	2.1
163.11142	1.8
164.10689	1.5
169.10100	1.2
171.10204	1.3
171.11694	1.6
172.09697	10.8
175.11340	1.2
177.12743	1.4
180.13832	14.4
181.12102	1.2
187.11264	2.2
189.11234	8.6
189.16521	1.1
189.84514	1.0
194.22736	1.0
195.13820	1.3
217.15889	1.4
221.15396	1.2
223.13399	4.0
232.96568	1.3
248.16522	1.4
255.17387	1.5
263.20041	1.5
269.19180	1.2
270.69501	1.1
272.20084	4.1
273.15747	1.6
273.18506	9.7
290.21182	19.4
291.19443	9.3
308.22226	12.5
309.17371	1.8
327.18326	1.8
332.22235	3.1
345.19977	1.3
350.19626	0.9
350.23267	47.3
368.24359	100.0
369.24496	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.2844
Annotation	3beta-Acetoxy-8beta,15-dihydroxy-ent-labda-13E-ene
Peak:m/z	Relative Intensity
54.88989	0.7
55.01879	1.4
55.05310	0.9
55.05515	9.0
57.03440	1.0
57.07079	4.3
59.07656	1.0
67.05508	12.3
68.91731	0.9
69.06733	1.1
69.07071	14.4
69.23028	5.9
69.23444	2.0
71.04996	1.7
71.08636	10.5
72.08146	1.0
79.05508	4.6
81.07058	18.2
83.04972	3.0
83.08609	7.0
85.06540	1.9
91.05476	5.7
93.07057	10.6
95.04964	2.0
95.08060	1.7
95.08614	17.7
97.06522	3.4
97.10156	2.4
98.20745	2.3
99.08101	11.4
101.83982	0.9
105.07035	6.5
107.08606	9.8
109.06519	5.0
109.10167	7.5
111.04417	1.5
111.08096	2.4
111.23897	0.9
119.08591	6.0
121.06499	1.7
121.10148	6.0
123.08067	24.7
123.11710	4.3
125.06004	2.6
131.08565	2.7
133.10144	8.0
135.08044	5.1
135.11697	4.1
137.09598	2.2
137.13261	2.4
139.07562	1.4
145.10110	2.3
147.11688	4.0
149.09613	2.1
149.13318	2.7
151.11159	1.6
153.12749	5.2
157.10165	1.1
159.11693	2.3
161.13252	2.7
163.11214	1.1
163.14851	2.2
165.12747	1.5
173.13283	1.2
175.14832	2.8
177.12732	1.4
177.16411	1.2
179.14326	25.1
181.15878	1.2
189.16428	2.0
191.14265	1.9
193.15952	1.0
195.13826	1.3
203.18040	1.5
219.17326	1.0
251.20070	10.7
270.60361	0.9
293.21133	9.1
293.28369	4.9
303.26822	13.0
321.27887	4.7
331.26337	43.7
349.27390	100.0
350.27740	1.3
367.22455	1.5
367.28586	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	367.2634
Annotation	Unknow
Peak:m/z	Relative Intensity
50.81980	1.8
51.79882	1.6
53.03946	5.9
55.01879	2.5
55.05516	17.8
57.07076	8.9
59.05006	2.2
65.03935	3.7
67.05177	2.8
67.05510	37.4
69.03423	5.7
69.07074	23.6
69.75705	8.5
71.04996	8.6
72.21092	1.6
79.05497	32.9
81.07066	49.8
83.04971	4.8
83.08630	9.7
85.06551	3.8
91.05486	52.3
93.07047	68.5
95.04985	27.7
95.08614	53.9
97.06537	16.3
103.05456	4.2
105.04510	3.5
105.07037	85.5
107.05017	2.3
107.08599	51.8
109.06512	11.4
109.09465	2.8
109.10167	34.9
111.08065	3.7
115.05473	4.8
116.06273	3.0
117.07031	22.6
119.08588	100.0
120.09370	2.7
121.06519	7.6
121.10150	56.2
123.08093	6.2
123.11741	10.7
128.06247	9.9
129.07019	16.7
130.07808	10.4
131.08582	61.2
132.09373	2.1
133.06529	3.8
133.10136	59.3
135.08076	18.4
135.11684	21.4
137.09619	6.6
139.11191	2.9
140.32530	1.8
141.07011	6.3
142.07777	19.6
143.08572	42.8
144.09360	14.0
145.06464	3.5
145.10136	66.4
146.07254	8.4
147.08003	8.7
147.11690	20.1
149.09663	13.5
149.13248	4.9
151.11208	2.4
153.06924	2.2
155.08582	9.4
156.09361	11.5
157.10135	45.6
158.10904	6.1
159.08057	6.0
159.11710	30.8
161.09634	34.8
161.13286	6.3
163.11217	5.3
163.98474	1.7
165.06961	2.0
166.07828	2.2
167.08600	6.8
168.09344	5.6
169.10153	18.3
170.10896	7.2
171.11681	24.4
173.09633	6.4
173.13269	22.1
175.11195	8.2
175.14841	16.6
179.08627	8.7
180.09352	2.4
181.10168	9.7
182.10945	6.9
183.11676	19.0
184.12460	3.8
185.09657	4.0
185.13258	13.6
187.11140	1.7
187.14789	13.0
189.12810	4.0
189.16333	2.4
191.14363	2.6
193.10120	3.6
193.15988	2.0
194.10931	7.5
195.11708	9.7
196.12524	5.3
197.13304	15.9
199.11201	3.3
199.14839	11.8
201.12805	7.7
201.16423	6.2
207.11716	3.6
209.13261	24.9
210.14032	2.5
211.14828	9.1
213.12726	4.4
213.16452	5.3
221.13297	1.7
223.14828	5.0
225.16399	2.9
227.14339	19.6
227.17873	2.5
229.15869	3.3
231.11688	1.7
235.14734	1.7
237.16359	4.4
239.18033	8.4
241.19536	2.5
249.16431	2.3
251.17982	2.9
253.19536	4.0
255.17448	8.1
257.18924	4.1
265.19580	4.1
267.17532	1.8
269.19012	2.7
271.20609	2.2
283.20572	3.2
293.18976	4.4
349.24927	9.8
367.26328	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	367.248
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	2.3
55.01864	4.0
55.05519	12.8
56.96564	7.3
57.03440	4.7
57.07071	1.5
65.03935	1.9
65.62848	1.0
67.05177	1.7
67.05510	22.6
69.03410	2.7
69.07076	16.0
69.24374	8.0
71.05004	2.5
71.08631	2.5
79.05496	20.9
81.03404	2.9
81.07059	32.8
82.07375	1.1
83.04993	7.4
83.08606	4.4
85.02890	2.3
85.06541	1.2
91.05483	20.9
93.07048	25.7
95.04978	7.8
95.08609	18.5
96.04508	2.1
97.02911	1.4
97.06526	6.3
97.10159	3.0
98.21467	1.9
98.97582	1.6
99.08099	2.2
105.07037	25.9
107.04969	7.7
107.08603	17.3
109.06515	11.7
109.10164	9.9
111.08069	1.8
115.05475	1.2
115.53260	1.0
117.07012	8.8
119.07803	1.5
119.08592	16.8
121.06512	11.4
121.10133	10.8
122.73715	1.0
123.08108	6.0
123.11672	2.3
125.09619	1.8
129.06993	3.5
131.08572	19.1
133.06499	3.3
133.10136	17.0
135.08069	5.2
135.11682	6.7
136.07552	3.6
137.09618	2.4
138.05499	1.6
139.11188	1.4
141.07008	2.0
143.08582	3.5
145.06474	2.4
145.10129	13.4
147.08067	2.8
147.11703	11.9
149.09584	6.2
149.13254	4.0
151.11177	4.0
155.08595	2.6
157.10112	3.9
159.08061	3.3
159.11699	9.1
161.09624	2.9
161.13235	2.6
163.11159	6.9
165.12814	1.2
169.10086	2.2
171.11690	4.5
173.09628	2.2
173.13240	6.0
175.11133	2.4
175.14807	1.3
177.12732	3.3
183.11690	4.0
185.13335	1.3
187.11169	1.9
187.14819	2.0
191.14316	2.8
197.13200	2.7
199.06430	3.7
201.12781	1.7
201.16359	1.2
207.13802	2.1
213.07965	1.4
215.14291	1.0
215.18073	1.3
217.07491	2.0
219.13870	2.2
222.57988	1.1
223.06432	1.4
229.07466	1.4
229.19423	1.8
239.18021	3.1
241.07539	4.7
247.08626	1.4
247.20592	3.5
253.07594	1.5
255.09019	1.2
257.19028	13.8
259.08481	7.6
269.10675	1.1
271.08435	1.4
275.20068	100.0
276.20322	1.7
282.10001	1.5
285.10062	1.7
293.21082	11.9
311.49130	1.0
331.15613	1.8
349.17175	9.3
349.23749	44.2
367.17520	10.3
367.25034	23.5
385.18982	3.4
390.19733	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.2479
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	5.3
55.01640	2.0
55.01872	31.3
55.05513	31.2
55.42238	1.7
55.82038	1.7
56.96577	9.2
57.03446	13.9
57.07058	3.8
58.65979	2.1
59.04984	3.4
61.02907	3.6
63.36594	1.5
63.77407	1.7
65.03934	4.0
67.05505	61.3
69.03407	5.2
69.06744	2.1
69.07064	33.5
69.48541	1.7
71.04974	6.9
71.08621	2.0
71.52699	3.2
73.02885	2.1
79.05493	67.6
81.03428	9.0
81.07054	73.8
83.04974	10.2
83.08614	18.7
84.04544	1.8
85.02892	6.5
85.06532	4.3
89.03893	4.3
91.03934	2.7
91.05482	50.2
93.06492	2.8
93.07049	45.8
95.04958	15.0
95.08611	43.7
97.02866	4.3
97.06525	50.5
97.10168	14.9
98.97562	4.2
99.04461	2.1
99.08057	3.2
101.05999	2.3
105.07030	56.1
107.04419	1.8
107.04967	21.5
107.08593	62.6
109.06531	12.6
109.10152	26.2
110.97548	2.2
111.08035	5.2
113.06018	1.7
117.03461	2.6
117.07021	19.8
119.01717	1.9
119.07704	2.6
119.08577	45.4
121.06480	6.5
121.10132	25.1
123.04375	2.7
123.08044	8.2
123.11707	8.9
125.09609	11.2
127.03938	2.0
128.06180	2.6
129.06981	6.0
131.08568	33.0
133.10144	30.5
135.04385	3.6
135.08046	7.7
135.11719	14.3
137.09610	5.3
137.13177	2.1
138.05515	2.7
139.11200	2.5
141.06978	2.7
143.08545	4.4
145.02809	3.4
145.06352	2.1
145.10110	34.3
147.07962	2.1
147.11687	26.7
149.09627	35.7
149.10788	3.8
149.13222	7.0
151.11182	6.1
153.09093	2.8
155.08511	3.2
157.10149	9.6
159.11711	19.1
161.09541	2.6
161.13275	8.9
163.03906	22.3
163.11174	17.5
164.04225	1.9
165.12701	5.0
169.10101	4.2
171.10208	2.8
171.11691	5.7
173.11815	3.9
173.13261	11.2
175.11182	4.9
177.12724	3.8
179.14241	2.1
181.12262	2.0
183.11716	2.4
185.13208	4.2
187.14729	2.4
189.11292	11.2
189.16415	2.3
197.13329	2.8
210.10478	1.8
213.16393	4.2
227.12720	10.4
229.19493	7.3
237.00662	4.4
239.17871	6.9
243.09038	3.2
245.13882	5.5
247.20639	4.8
254.00995	3.1
255.01698	2.6
257.19028	17.5
267.08850	6.0
269.22583	4.6
275.20053	100.0
276.20316	2.4
285.10034	10.5
287.11624	3.9
288.45468	2.0
289.09244	2.1
293.20999	7.9
314.64233	2.0
349.19839	3.0
349.23776	51.0
367.11450	2.3
367.19107	9.8
367.24664	28.0
367.28445	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.248
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	2.9
55.01637	1.7
55.01875	24.4
55.05269	2.6
55.05513	34.2
55.25228	1.8
56.96572	10.6
57.03440	14.6
57.07071	2.3
59.05003	3.2
61.02921	3.7
63.62897	1.6
65.03928	3.9
65.71978	1.7
67.05506	58.9
69.03419	8.2
69.07066	35.1
69.31464	1.5
69.31756	16.8
71.04983	6.8
73.02922	4.5
79.05493	48.5
81.03403	9.3
81.06593	3.3
81.07058	57.7
83.04974	16.3
83.08616	21.6
85.02892	7.8
85.06540	3.8
89.03918	4.5
91.05480	36.3
93.07049	47.7
95.04974	27.0
95.08606	36.9
97.02897	5.3
97.06526	36.2
97.10176	16.2
99.04446	5.4
105.04486	1.9
105.07041	45.3
107.04958	19.5
107.08599	49.9
109.06498	11.6
109.10169	21.9
111.04428	16.1
111.08054	7.8
117.03373	3.9
117.07005	13.7
119.08578	33.2
121.02831	2.6
121.06483	7.7
121.10141	21.6
123.08076	7.1
123.11699	8.0
125.09637	13.7
129.03378	3.6
129.06987	6.0
131.08560	21.5
133.10130	25.7
135.04442	5.2
135.08066	10.7
135.11684	14.8
137.09598	6.6
138.05467	3.2
139.05865	2.2
139.11142	2.4
141.06990	2.7
143.00119	2.9
143.08548	5.3
144.49533	1.9
145.02812	4.3
145.06534	2.9
145.10123	29.2
147.08047	4.5
147.11685	16.9
149.09622	34.1
149.13229	4.8
151.11177	3.9
153.09076	3.1
155.08531	3.6
155.10620	2.0
157.10094	5.4
159.11693	13.2
160.05020	1.8
161.09619	1.9
161.13290	6.6
163.03922	29.4
163.11174	18.9
164.42792	1.8
165.09143	2.0
165.12755	3.6
168.11107	2.2
169.10091	3.0
171.10242	4.3
171.11664	4.4
173.09608	2.6
173.11867	2.7
173.13275	7.0
175.11179	3.1
177.12717	7.4
179.14243	2.0
181.12213	2.2
183.11682	2.4
185.13171	1.9
187.11194	4.8
187.14729	2.4
189.05493	11.4
189.11226	9.7
197.13237	2.7
205.09033	2.5
205.12274	3.6
207.13913	2.7
211.13135	2.1
213.16188	2.0
217.07356	2.1
223.13257	18.5
227.12755	3.6
229.07356	3.2
229.19466	3.6
236.10809	2.4
237.00711	4.4
239.17944	7.7
241.05391	1.9
243.09009	2.6
245.13773	3.0
247.20689	4.9
251.19904	2.0
254.01120	2.0
255.09048	2.4
257.19058	15.6
259.09686	5.4
267.09021	4.6
275.20068	100.0
285.10037	6.5
287.11136	2.3
293.21124	18.5
349.23770	42.6
367.11990	3.2
367.25015	40.5
368.24417	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.2481
Annotation	(-)-Isomuronic acid
Peak:m/z	Relative Intensity
53.03915	1.1
55.01812	3.9
55.05450	19.6
55.05750	1.7
56.96532	0.7
57.03374	6.2
57.07026	1.1
59.04957	0.9
59.05217	0.5
65.03891	0.7
67.05438	17.4
69.03396	1.1
69.07000	20.1
71.04967	1.0
71.08562	24.4
71.08992	1.5
71.52460	0.9
77.66431	0.5
79.05492	15.1
79.05914	0.9
81.03420	3.3
81.07055	15.9
83.04993	4.1
83.08614	5.6
91.05481	7.2
93.07040	11.6
95.04975	3.9
95.08615	8.0
97.02850	0.7
97.06446	1.8
97.10173	8.8
99.08093	19.5
99.08704	0.7
105.07027	5.9
107.04959	3.0
107.08588	9.8
109.06515	1.1
109.10151	6.1
111.04368	0.5
111.08036	0.9
111.11658	0.5
115.05432	0.6
117.07023	2.8
119.08601	3.4
121.06528	3.2
121.10172	3.3
123.08043	1.2
123.11692	1.1
125.09635	6.9
129.06963	0.8
131.08586	2.5
133.10146	3.1
135.07973	1.8
135.11688	2.7
137.09558	0.9
139.11096	2.2
141.06921	0.5
145.10078	1.5
147.11621	1.1
149.09543	1.3
149.13174	1.6
151.11130	1.5
153.09053	1.3
153.12654	0.8
157.10106	0.9
159.11650	1.7
161.09555	0.8
161.13393	0.5
163.11115	1.4
165.12817	0.9
167.10655	3.6
167.14296	0.6
169.09981	0.5
171.10139	1.0
173.11778	0.8
173.13197	1.1
177.12704	2.5
179.10638	1.0
189.11246	4.3
195.13730	1.3
227.12810	1.2
229.07335	0.8
229.19548	0.8
237.15015	0.6
247.20607	1.0
265.21533	1.9
275.20041	8.3
293.21103	100.0
294.21576	1.7
349.24060	1.3
367.24817	42.9
368.24908	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.2481
Annotation	(-)-Isomuronic acid
Peak:m/z	Relative Intensity
53.03943	1.8
55.01873	3.7
55.05512	22.5
56.96553	2.2
57.03435	7.2
57.07084	2.2
65.03929	1.3
66.40200	0.8
66.91855	0.8
67.05509	19.8
69.03437	4.3
69.07070	13.3
69.15102	0.8
69.61251	5.6
71.05000	2.2
71.08235	1.9
71.08635	37.7
75.99312	0.7
79.05502	15.6
81.03416	8.2
81.07060	19.2
81.07527	1.1
83.04978	4.5
83.08610	7.0
84.50961	0.9
85.06576	1.6
91.05477	7.3
91.07417	0.8
93.07050	13.1
95.04980	5.6
95.08607	7.2
97.06541	2.1
97.10172	9.4
98.21516	1.0
99.08102	28.2
105.07045	6.9
107.04984	2.3
107.08598	10.3
107.09232	1.2
109.06565	1.7
109.10165	6.5
111.04488	1.1
111.08100	1.8
117.07073	2.5
119.08559	4.1
121.06550	2.8
121.10146	5.4
123.08121	1.0
123.11759	1.7
125.09621	8.3
129.07008	1.4
131.08595	3.1
133.10176	3.2
135.08080	1.9
135.11726	2.4
137.09573	1.2
139.11191	2.0
145.10161	2.7
147.11710	1.8
149.09636	1.8
149.13303	2.3
151.11205	3.3
153.09082	1.1
155.08606	1.3
159.11755	1.8
163.14838	1.0
165.12747	1.3
167.10719	2.7
171.10210	1.0
173.13309	1.5
177.12776	2.7
189.11269	6.3
189.31354	1.1
191.14415	0.9
193.12344	1.6
195.13840	2.7
229.19646	1.0
231.84831	1.0
247.20789	1.3
253.60289	1.1
269.10855	2.1
275.20059	12.1
275.22668	0.9
293.21121	100.0
294.21591	1.5
349.23810	1.0
367.24908	40.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.2481
Annotation	Unknow
Peak:m/z	Relative Intensity
52.85280	2.8
53.03931	2.9
55.01869	12.8
55.05513	30.2
57.03434	23.1
57.07066	3.6
58.06479	2.7
59.04987	3.5
61.91988	2.6
67.05508	44.6
69.03423	5.5
69.07072	29.1
69.61451	2.9
71.04978	4.5
71.08636	24.0
79.05501	34.2
81.07063	42.3
83.04990	3.8
83.08649	13.9
85.06555	5.4
86.09707	6.7
91.05488	43.4
93.07040	34.7
95.04963	10.5
95.08613	28.6
97.06519	10.9
97.10155	9.2
99.04454	5.5
99.08062	19.0
105.07043	30.1
107.04957	8.4
107.08591	21.9
109.06512	9.9
109.10167	15.6
111.08063	4.2
117.07006	15.6
119.08589	23.8
121.06525	7.0
121.10171	16.9
123.08118	6.6
123.11742	4.4
125.09662	7.0
129.07115	3.7
131.08586	17.2
131.09401	3.2
133.10159	20.0
135.08041	4.8
135.11693	11.5
137.09593	4.2
139.03885	3.0
143.08563	4.6
145.10127	15.0
147.08075	3.5
147.11694	12.3
149.09622	4.6
151.11237	5.5
157.10176	4.3
159.11725	13.4
163.11185	4.0
167.10751	4.8
173.13268	6.8
175.14772	4.0
177.12895	3.9
179.08336	3.0
185.13271	3.3
201.16489	4.4
219.17433	75.2
222.05270	2.8
229.19646	3.2
239.18015	3.7
240.23415	2.8
247.20552	3.3
257.18951	5.3
266.88632	3.1
269.10590	4.7
275.20071	36.7
285.09958	3.7
293.17810	6.2
293.21100	100.0
349.23767	26.7
350.26764	7.1
367.20499	4.7
367.24881	65.4
367.29651	6.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.2463
Annotation	Sibiricinone D
Peak:m/z	Relative Intensity
53.03940	1.0
55.01868	1.5
55.05516	4.2
55.19463	0.7
56.96560	1.8
57.03433	3.9
57.26727	0.7
62.35851	0.7
65.03938	0.9
67.05508	10.2
69.03431	1.4
69.07063	5.2
69.41001	5.1
71.04993	2.1
72.39526	0.6
78.11792	0.6
79.05065	0.9
79.05495	8.7
81.03420	1.2
81.07059	10.3
83.04983	2.3
83.08608	3.3
85.02934	1.0
85.06532	1.2
91.05487	6.9
93.07051	9.5
95.04978	4.1
95.08611	8.4
95.17223	0.6
97.06525	2.7
97.10154	1.9
98.97556	1.3
99.08096	0.9
103.12437	0.7
105.07029	6.7
107.04956	1.4
107.08603	7.1
109.06527	2.1
109.10170	5.5
110.10331	0.7
111.04442	1.3
117.07022	2.1
119.08603	6.0
121.06535	0.8
121.10172	4.9
123.08112	1.3
123.11694	1.9
125.09628	1.7
129.07008	1.8
131.08566	5.3
133.10143	5.5
135.11694	2.8
137.09576	0.6
138.05540	0.7
139.03911	0.7
139.11185	1.0
142.07776	0.7
143.08563	1.5
145.10143	4.1
147.11674	2.1
149.09608	2.8
149.13269	1.7
151.11246	0.8
157.10147	1.1
159.11714	2.4
161.13280	1.6
163.11174	1.8
165.12749	0.7
171.11623	1.2
173.13248	1.6
175.14894	0.9
179.14297	0.8
183.11647	1.0
185.13228	1.6
187.14842	0.9
189.11156	0.9
207.13905	0.8
223.13252	1.6
229.07559	1.3
231.10954	0.8
239.18047	1.2
249.14539	0.9
257.18948	1.1
275.20087	9.2
285.63376	0.8
293.20874	3.2
321.25809	1.4
349.23868	1.7
367.24609	100.0
368.24731	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	366.3215
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	3.6
57.07075	92.8
59.05003	15.3
67.05500	3.2
69.07069	3.8
71.08633	100.0
79.05463	1.4
81.07043	3.1
83.08616	1.8
85.10183	88.7
89.06036	28.8
93.07037	2.1
95.08616	2.4
98.21503	4.9
99.11723	11.0
103.07532	1.9
114.44739	1.6
133.08614	21.8
138.05463	3.2
141.16388	12.4
151.09663	10.4
191.12798	4.3
195.12251	11.5
199.20592	20.9
209.13986	3.3
242.37221	1.6
243.23134	2.5
303.51938	1.6
331.26376	2.0
349.29645	24.0
366.30554	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1614
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	2.1
54.40182	0.7
55.01860	3.3
55.05509	1.1
56.96553	1.1
57.03442	5.4
61.02906	1.3
62.02435	3.3
67.05508	1.1
69.03433	14.9
69.47905	1.7
69.48321	3.5
71.01355	4.3
71.04997	6.0
73.02910	1.1
79.05469	1.1
81.03433	5.7
81.07050	1.1
84.08100	1.1
86.09705	2.1
87.04462	0.9
87.04994	0.7
91.05470	3.0
93.07020	1.0
95.04955	1.0
95.08597	0.9
97.02888	3.7
99.04461	7.5
105.07028	1.7
111.04495	0.9
117.05474	4.6
118.06515	2.4
120.08121	1.2
121.06470	2.4
123.04433	24.3
133.10115	1.0
135.04427	1.1
135.06540	5.8
139.03909	1.6
145.07610	11.3
147.04376	1.4
147.08083	1.4
147.09158	9.8
157.07692	1.1
159.08014	1.3
159.09196	14.3
159.11517	0.8
160.09930	1.8
161.09618	0.8
163.03899	2.5
173.07104	2.7
173.10840	0.8
173.12857	2.5
174.13188	1.9
175.04083	0.9
175.08669	3.5
178.07063	1.4
182.08440	0.8
185.10759	7.0
186.11461	1.4
187.03931	1.9
187.08632	3.1
187.12294	1.6
190.07938	1.1
190.09752	61.0
191.08159	100.0
197.10760	2.9
199.08815	1.5
199.12469	3.8
200.04698	4.3
201.10324	1.1
213.10310	4.0
215.11790	3.0
221.08060	1.0
225.10110	5.0
227.11717	1.1
229.08603	1.2
231.11424	1.3
233.09251	1.0
235.14928	0.8
243.11290	3.0
245.08942	0.7
245.12840	1.3
253.09698	0.9
257.08069	2.9
259.10855	0.7
263.13849	3.1
271.10822	6.6
288.13260	1.4
289.11844	11.4
295.06003	1.9
306.14465	44.2
307.12680	4.8
310.08438	1.0
324.15543	16.3
349.14877	0.9
367.11826	11.0
367.16095	74.6
368.16550	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	366.1397
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.7
53.46634	0.6
55.01874	1.3
56.05035	0.7
56.96564	1.0
57.03433	0.9
58.41317	0.6
60.04525	1.5
61.02934	3.3
68.05021	0.6
69.03426	7.0
69.07062	0.7
69.35055	4.0
70.06584	2.3
71.04984	2.0
73.02903	0.8
79.05465	0.6
80.04997	0.7
81.03427	5.5
82.06570	0.9
83.04957	0.7
84.04509	20.6
85.02908	10.3
91.03956	1.2
91.05470	2.4
93.07037	0.8
96.04497	14.5
97.02889	7.0
97.06550	0.8
98.06057	7.5
98.20766	1.3
98.62477	0.6
99.04464	2.7
101.02349	1.0
107.08622	0.6
108.04479	0.8
109.02881	4.8
114.05598	0.8
124.03920	0.6
126.05521	32.3
127.03907	3.0
136.38348	0.6
138.05507	100.0
144.06567	21.0
145.04958	1.2
149.02371	3.3
168.06573	24.9
168.08000	1.2
170.15292	0.6
186.07622	27.2
193.04967	2.9
200.20131	1.4
204.08685	34.2
243.08871	0.9
259.08414	0.8
267.09100	2.4
270.12582	0.7
285.10065	4.6
348.14728	0.7
357.98761	0.7
366.13950	5.3
366.22839	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	366.1397
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.2
55.01871	1.3
56.05029	0.9
56.96556	0.5
57.03427	1.0
58.49349	0.4
60.04516	1.7
61.02927	2.4
63.17599	0.4
69.03091	0.5
69.03433	6.0
70.06602	1.0
70.62584	0.5
70.62923	0.9
71.04991	1.5
72.04504	0.6
73.02917	0.8
79.05480	0.8
80.05014	1.3
81.03427	4.3
81.07082	0.8
82.06588	1.0
83.04974	0.8
84.04509	22.3
85.02909	8.6
85.03433	0.6
87.04438	0.6
91.03968	1.0
96.04497	14.3
97.02893	6.5
98.06058	8.1
98.97594	0.7
99.04438	2.2
105.07015	0.7
108.04499	0.6
109.02889	4.6
114.05511	0.5
115.15098	0.4
121.06517	1.5
121.10100	0.5
123.04446	2.3
126.05523	32.1
127.03925	2.5
129.09319	0.4
130.50813	0.4
133.86768	0.5
138.05505	100.0
139.05833	0.7
144.06567	19.4
145.04912	1.0
145.10057	0.5
147.04417	0.5
151.07457	0.4
162.07610	0.8
163.03865	0.6
168.06575	25.5
186.07625	26.9
187.79099	0.4
192.13747	0.5
204.08688	34.1
208.45380	0.4
281.05783	0.4
286.60815	0.5
304.18146	0.9
347.60104	0.5
366.13849	5.7
367.21054	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	366.1395
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.2
53.87199	0.5
55.01873	0.7
55.05502	0.9
56.05021	0.9
56.96559	1.6
57.03446	1.1
60.04514	1.4
61.02924	3.0
62.00824	0.5
67.05495	1.7
68.05020	0.8
69.03428	6.5
69.07066	0.6
70.06599	1.0
71.04984	1.3
73.02923	0.9
79.05482	1.1
80.05017	1.3
81.03416	4.7
81.07053	1.7
83.08636	0.5
84.04504	15.5
85.02905	11.1
91.03966	1.0
91.05462	1.5
93.07037	1.0
95.04949	0.9
95.08569	1.0
96.04486	15.6
97.02893	7.1
98.06056	8.2
99.04440	1.8
105.07021	1.0
108.04470	0.7
109.02886	6.0
109.06559	0.8
109.10178	0.8
114.05578	0.8
119.08579	0.8
126.05516	28.2
127.03915	3.0
133.83508	0.5
138.05501	100.0
144.06558	21.5
145.04942	0.7
161.02965	0.7
164.34412	0.6
168.06552	25.0
186.07620	28.7
193.12236	0.7
204.08673	35.7
211.13306	0.7
228.95740	0.6
251.11497	0.5
267.09103	1.5
269.12381	1.2
283.08514	0.7
285.10196	2.0
366.13910	4.8
366.19238	1.0
366.23758	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	366.1398
Annotation	Unknow
Peak:m/z	Relative Intensity
52.85582	0.5
53.03946	1.6
55.01872	1.8
55.05512	3.6
55.87706	0.5
56.05029	1.3
56.96574	0.6
56.98317	0.5
57.03439	1.3
57.07073	0.5
58.06601	2.4
60.04542	2.4
61.02921	2.4
61.75579	0.5
68.05029	0.7
69.03432	7.8
69.07069	1.1
69.53621	1.1
69.54032	2.7
70.06578	1.9
70.11638	0.5
71.04985	1.0
72.08157	0.7
73.02901	0.5
79.05444	0.6
80.04998	1.3
81.03422	4.9
81.07042	1.6
82.06580	0.9
83.04974	1.8
83.08613	2.7
84.04507	25.3
84.08137	0.5
85.02905	8.6
85.06456	0.5
87.23649	0.7
91.03967	0.7
91.05491	1.1
91.76226	0.5
93.07072	1.2
95.04966	0.7
95.08598	0.6
96.04489	13.9
97.02890	7.0
97.06570	0.7
98.06060	9.1
98.20759	0.9
98.97602	1.2
99.04468	2.6
100.07613	2.2
100.11260	7.1
101.02380	0.5
105.07024	0.7
108.04486	0.8
109.02880	5.8
109.06508	0.7
110.06020	0.5
111.04435	1.1
112.07631	1.4
114.05507	0.9
114.90428	0.5
121.06527	0.9
122.09653	0.8
123.04388	0.9
126.05524	33.8
126.09170	1.1
127.03928	3.6
128.07028	0.5
138.05507	100.0
139.04021	0.6
140.07098	0.6
140.10695	5.7
144.06564	20.9
145.02893	0.7
145.04961	1.3
154.12254	1.7
163.03951	1.1
168.06569	26.8
168.10229	5.0
168.13905	2.8
177.05493	1.4
177.26857	0.5
182.11795	2.8
182.15388	5.4
185.16505	0.7
186.07628	28.9
199.18045	2.1
204.08682	36.2
210.14935	2.0
216.09338	0.6
221.37660	0.6
223.24690	0.5
227.17589	0.6
228.16011	0.9
278.69049	0.5
295.20306	1.3
304.18085	1.9
309.21786	4.1
332.18439	0.5
348.26520	1.2
366.14221	5.7
366.22879	1.0
366.27295	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	366.1396
Annotation	Unknow
Peak:m/z	Relative Intensity
50.92889	0.6
53.03937	1.3
55.01865	0.6
55.05516	0.7
56.05015	1.0
57.03423	1.4
60.04506	1.4
60.53708	0.5
61.02919	2.6
68.05045	0.9
69.03432	7.8
70.06570	0.9
70.07116	2.2
71.04979	1.6
73.02911	0.8
79.05482	0.8
80.05008	1.1
81.03419	4.5
81.07055	0.7
83.01304	0.8
83.04955	0.9
84.04505	24.2
85.02908	10.0
87.04489	0.8
91.05484	0.7
93.07029	0.8
95.08627	0.7
96.03909	1.1
96.04491	14.9
97.02893	6.6
97.03470	0.9
98.06043	7.1
99.04462	2.4
101.02364	0.7
104.68310	0.6
105.07038	0.9
107.08586	0.7
108.04482	0.8
109.02869	6.3
114.05544	1.0
126.05523	37.0
127.03920	3.7
138.05502	100.0
144.06560	19.7
145.04987	1.7
149.02425	0.7
168.06563	26.3
186.07623	27.3
193.05055	1.3
204.08676	36.8
212.90987	0.6
366.14069	5.0
366.19128	1.1
366.23236	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.269
Annotation	Sarcotol acetate
Peak:m/z	Relative Intensity
52.43307	0.6
55.01873	0.8
55.05499	2.8
56.96583	0.7
57.07085	3.2
60.94812	0.6
67.05508	3.7
69.07071	5.4
69.77952	1.0
69.78362	2.5
71.08640	1.4
79.05484	2.1
80.11481	0.6
80.84067	0.6
81.07063	5.3
83.04989	1.1
83.08590	1.4
84.72746	0.7
85.06538	2.0
86.09697	1.1
89.39846	0.6
91.05477	2.5
93.07047	3.7
95.08615	4.2
97.06525	1.7
97.10167	0.7
98.20769	1.2
104.10744	2.0
105.07024	1.9
107.08601	4.5
109.06529	2.4
109.10142	2.2
111.04434	1.8
111.08083	0.8
119.08568	2.5
121.06494	0.7
121.10146	2.0
123.08073	4.6
123.11697	0.8
124.08887	0.9
125.05972	1.9
129.52419	0.8
133.10135	1.2
135.08057	2.2
135.11647	1.8
137.06001	1.5
138.52972	2.4
139.07526	1.2
145.10121	1.5
147.11719	1.6
149.09660	1.3
151.07561	3.0
152.08319	2.4
163.11183	1.1
165.09111	12.5
165.12759	0.7
175.14752	0.9
177.09068	1.1
177.12810	0.7
179.10684	1.8
179.14287	0.7
181.12230	0.9
184.07384	1.8
191.14328	0.7
193.12244	1.4
195.13869	0.9
208.14603	2.0
219.13882	0.8
221.15346	2.0
221.18951	1.0
231.10896	1.1
235.16798	0.7
235.20598	0.8
249.18686	0.9
263.20038	1.8
267.32468	0.7
276.65369	0.8
291.19699	0.9
305.24789	9.6
319.26355	4.5
347.25821	50.6
348.26068	1.1
365.26874	100.0
366.27246	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	365.2688
Annotation	10-Deacetoxybarbilycopodin
Peak:m/z	Relative Intensity
50.08717	0.2
50.69781	0.2
53.03927	0.2
55.01862	0.4
55.05507	1.0
57.07076	3.2
67.05505	1.9
69.03437	0.2
69.07065	1.3
69.74395	0.7
69.74803	0.8
73.02883	0.3
79.05486	1.0
81.07056	2.1
83.05026	0.3
83.08632	0.5
85.06557	1.7
91.05483	0.9
93.07064	1.2
95.04977	1.0
95.08594	1.7
97.02902	0.2
97.06532	0.3
97.10184	0.3
98.21566	0.2
98.98490	0.2
105.07018	1.0
107.08601	1.6
109.06508	1.6
109.10170	1.1
112.37060	0.2
115.56436	0.2
115.93665	0.2
117.07014	0.4
119.08574	1.2
121.06577	0.3
121.10132	1.0
123.08066	3.2
123.11711	0.3
124.08820	1.4
125.05984	0.5
131.08636	0.3
133.10138	0.8
133.32239	0.3
135.08052	0.8
135.11694	0.4
137.06004	0.6
137.09543	0.3
139.07561	0.4
142.07753	0.4
143.08531	0.7
145.06857	0.2
145.10124	0.7
147.11690	0.4
149.09637	0.3
149.13269	0.4
151.07550	4.1
151.11203	0.6
152.08333	6.0
153.72232	0.2
156.09352	0.3
157.10092	1.1
159.11708	0.9
161.09608	0.6
161.13220	0.3
165.09129	8.9
165.12729	0.4
166.09892	0.4
169.10080	0.4
171.11751	0.5
175.11174	0.4
177.12737	0.5
179.10701	1.5
181.10118	0.3
181.12254	0.5
183.11722	0.5
185.13275	1.1
187.11201	0.3
187.14905	0.3
194.13034	3.9
195.11780	0.4
195.13750	0.3
197.13237	0.4
207.12006	0.4
207.13832	1.5
209.13391	0.3
213.09821	0.3
221.13269	0.3
223.14941	0.4
231.10780	0.3
235.16948	0.5
236.15733	0.3
239.12096	0.3
249.16339	0.3
249.18607	0.7
263.20105	2.2
291.19595	0.5
319.26273	1.1
328.84879	0.3
337.27350	0.4
347.25873	18.3
348.26160	0.6
365.26892	100.0
366.27280	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2324
Annotation	Unknow
Peak:m/z	Relative Intensity
52.63380	2.2
52.84990	2.2
53.03949	3.1
55.01873	8.6
55.05514	33.3
56.96560	7.0
57.03444	16.8
57.07060	2.2
61.02916	5.5
65.03950	2.8
67.05511	39.7
69.03434	12.6
69.07071	50.2
69.19162	5.3
69.19577	18.5
71.04990	4.2
73.02932	2.8
79.05498	34.7
81.03420	8.4
81.07059	34.2
83.04994	6.3
83.08614	10.4
85.02899	3.3
91.05501	20.5
93.07055	25.2
94.62332	2.0
95.04968	13.0
95.08605	15.5
97.02888	13.5
97.06515	6.5
97.10188	19.0
105.07027	15.6
107.04940	9.3
107.08607	18.3
109.06528	4.9
109.10151	13.8
111.04440	3.2
117.07025	9.1
119.08586	18.3
121.06519	3.4
121.10164	4.3
123.08063	6.3
124.03691	2.6
125.09631	16.2
129.07004	4.5
131.08565	9.8
133.06429	3.3
133.10147	7.4
135.08067	7.7
135.11700	3.7
137.09627	4.5
138.05519	4.3
143.08569	5.9
144.93283	2.3
145.10139	8.1
147.08051	3.6
147.11676	5.4
149.09669	4.5
149.13286	3.8
151.11151	2.9
157.10117	4.8
159.11681	4.5
161.09610	2.6
163.03899	2.5
163.11211	4.2
165.09195	2.2
171.11771	5.0
173.11786	2.6
175.11238	2.3
189.11214	10.0
193.12180	3.1
204.08795	2.9
205.12312	2.7
220.47510	2.6
220.49623	2.5
223.13266	21.7
227.12825	2.6
229.07535	4.7
231.10936	3.6
245.19150	3.8
245.23816	2.5
250.13614	2.3
255.17355	4.0
267.09171	4.4
271.06381	2.3
273.18530	23.6
285.10077	5.0
291.19543	100.0
347.13129	8.6
365.10437	3.6
365.14761	3.2
365.23233	65.1
365.28052	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	365.2322
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	2.9
55.01889	7.4
55.05267	2.4
55.05514	29.6
56.96564	6.5
57.03434	12.8
59.04989	1.5
61.02920	4.1
61.43026	1.4
65.03939	1.5
67.05511	36.6
67.22699	1.3
69.03432	14.2
69.07072	46.0
69.51244	5.1
69.51666	4.1
69.59819	1.3
71.04982	4.4
73.02900	2.0
79.05499	30.7
81.03413	9.2
81.07055	29.2
81.79671	1.3
83.04995	4.0
83.08608	11.5
84.96030	1.7
85.02901	3.4
85.06535	2.8
91.03984	2.2
91.05483	19.3
93.07053	27.3
95.04966	9.1
95.08604	18.9
97.02883	16.8
97.06548	4.1
97.10171	14.8
98.97604	2.8
105.07039	16.3
107.04971	7.8
107.08587	22.4
109.02885	2.6
109.06493	3.9
109.10162	14.1
111.08083	1.9
117.06989	8.0
119.04964	2.3
119.08589	17.6
121.06514	4.1
121.10122	8.1
123.08059	4.5
125.09627	13.7
129.06969	4.3
131.00136	1.5
131.08586	11.1
133.06488	1.8
133.10107	11.3
135.08054	3.6
135.11699	6.4
137.09616	4.3
142.07820	2.4
143.08545	7.5
144.62105	1.9
145.10104	11.3
147.08023	4.6
147.11688	5.6
149.09627	2.7
149.13263	6.5
151.11191	1.5
157.10181	10.2
159.11705	11.5
161.09616	4.6
161.13269	3.0
163.11195	3.3
163.14838	2.9
165.09093	2.1
169.10133	4.1
171.11693	4.6
173.11749	3.3
173.13287	4.3
175.11208	2.5
175.14914	2.0
177.12709	1.8
183.11685	3.3
185.13275	6.0
187.14751	2.0
189.11249	6.0
189.12761	1.7
195.11696	2.8
195.13606	1.7
197.13286	3.4
199.14728	2.0
205.12216	3.2
211.14903	2.1
221.11526	3.5
223.13260	29.1
225.16409	2.1
229.07445	5.9
229.14418	2.5
243.08888	2.3
245.19104	2.1
247.08655	2.5
251.17888	1.5
267.09073	5.7
273.18515	16.7
277.19534	1.6
283.09052	2.1
284.12772	2.9
285.10110	12.8
291.19537	100.0
292.19836	2.6
293.22656	4.7
337.25464	1.5
347.22147	2.4
347.27002	2.6
365.23251	76.5
365.28381	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	365.2325
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	5.3
55.01875	10.7
55.05515	35.1
56.96557	5.2
57.03442	14.6
61.02911	3.2
65.03919	1.5
67.05507	50.3
69.03432	15.0
69.07072	40.9
69.63551	7.2
71.04996	3.0
73.02924	2.0
79.05498	37.6
79.36826	1.4
81.03413	12.2
81.07059	37.9
83.04990	8.8
83.08615	12.4
85.02897	3.8
85.06532	2.9
91.03929	1.8
91.05486	31.9
93.07043	29.9
95.04966	12.2
95.08608	23.5
97.02890	17.4
97.06517	5.8
97.10191	15.7
98.20772	3.2
98.97585	2.9
101.02425	1.9
105.07031	23.2
107.04940	9.4
107.08607	23.1
109.06525	6.8
109.10166	20.4
111.04442	2.6
111.08072	5.5
115.05484	2.3
117.07039	10.6
119.04941	1.6
119.08601	14.5
121.06531	4.9
121.10165	9.7
123.04458	1.5
123.08093	6.9
123.11700	3.0
125.09629	12.1
128.06245	2.0
129.06998	4.8
130.07692	2.1
131.08545	12.5
133.06491	5.2
133.10161	18.1
135.08072	9.1
135.11696	5.1
137.09621	4.9
139.07521	1.8
139.11121	2.1
143.08585	5.1
145.08057	1.6
145.10120	9.8
147.08064	8.4
147.11671	6.7
149.09633	5.2
149.13232	2.1
151.11191	8.6
155.08543	1.7
157.10132	4.0
159.08041	3.2
159.11728	4.9
161.09653	6.4
161.13252	3.0
163.03958	2.7
163.11168	2.6
165.09111	2.3
169.12268	1.4
171.11700	3.1
175.11107	3.7
177.12735	3.3
179.10722	2.2
181.12088	1.6
185.04787	2.0
189.11223	6.8
193.12270	2.3
205.12259	3.4
223.13286	31.4
227.12851	2.4
227.17862	2.4
229.07455	1.5
245.19095	2.7
253.14375	5.7
255.17480	2.7
263.20139	4.1
267.09055	9.0
268.09476	3.1
269.10556	2.1
273.18503	27.7
285.10077	8.3
287.11740	2.0
291.19553	100.0
299.11581	1.6
317.12631	2.7
340.15109	2.6
347.22339	2.1
365.10629	2.7
365.23242	90.3
366.23712	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2324
Annotation	Unknow
Peak:m/z	Relative Intensity
51.42548	4.4
52.54538	4.9
53.03932	8.7
55.01881	25.3
55.05509	36.8
56.96577	31.6
57.03442	35.2
59.04997	5.4
61.02913	11.7
62.37477	5.0
67.05184	7.0
67.05512	100.0
69.03419	17.3
69.07067	36.2
71.04986	17.7
71.08632	5.3
72.08038	4.1
79.05082	5.3
79.05501	74.4
81.03427	36.1
81.07063	97.1
82.03762	5.0
83.04992	29.4
83.08619	20.0
85.02906	22.7
85.06540	5.4
91.03957	9.0
91.05489	96.7
93.07050	72.7
95.04981	29.0
95.08601	39.0
97.02919	10.6
97.06528	10.9
97.10157	7.7
98.97598	8.7
99.04461	4.9
105.07037	71.2
107.04958	22.0
107.08601	51.4
109.02842	5.4
109.06506	21.0
109.10162	45.1
111.04382	5.0
111.08116	10.5
115.03875	4.2
116.98613	5.4
117.07011	17.8
119.08619	27.5
121.06496	16.8
121.10130	22.5
123.08044	9.1
123.11707	9.8
125.05992	4.5
125.09607	5.8
129.05434	5.3
129.06992	13.4
131.08635	31.6
133.06482	15.3
133.10138	92.7
135.08070	23.8
135.11728	13.0
137.09605	9.1
139.03688	4.3
139.07506	7.9
141.73729	4.7
143.08528	14.2
143.27635	4.7
145.10118	16.9
147.08040	8.9
147.11716	11.7
149.09630	15.5
149.13142	6.3
151.11197	58.6
157.10112	12.6
159.08113	6.2
161.09650	15.8
161.13225	7.7
163.11192	9.0
165.09151	5.8
169.12215	6.0
171.11682	7.1
173.09641	6.0
175.11142	8.2
177.12718	8.4
189.12799	5.8
193.12231	11.4
201.16437	5.7
203.14359	5.2
213.08005	6.7
229.07446	6.7
232.15306	5.0
243.09009	8.0
245.19012	13.1
247.08487	7.0
253.14381	50.5
263.20029	13.2
267.09088	32.9
267.15982	8.3
269.10590	27.4
269.13477	6.2
273.18576	46.0
281.10428	5.3
285.10138	53.4
285.13187	9.5
286.14108	5.9
287.11526	11.8
291.19568	37.7
301.19391	5.0
303.29984	4.6
308.11841	6.5
365.10364	9.0
365.23196	92.2
365.33401	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	365.2323
Annotation	Unknow
Peak:m/z	Relative Intensity
52.53803	1.2
53.03943	2.8
55.01875	6.1
55.05510	28.2
56.96560	3.9
57.03441	10.5
59.04997	2.3
61.02908	2.5
67.05510	33.0
69.03433	12.9
69.07069	37.8
71.04993	3.1
71.16644	2.4
73.02900	1.9
79.05074	2.3
79.05498	28.8
81.03416	11.0
81.07056	27.6
83.04971	6.2
83.08621	10.7
85.02926	1.9
85.06530	1.7
91.05487	18.4
93.06488	1.7
93.07043	21.5
95.04959	9.1
95.08615	13.6
95.57816	1.3
97.02898	15.7
97.06521	3.1
97.10175	17.9
102.59616	1.2
105.03460	1.3
105.07037	14.3
107.04927	6.1
107.08600	16.4
109.06516	3.6
109.10162	11.5
111.08092	3.1
117.07045	7.6
119.08556	11.2
121.06494	3.3
121.10168	6.1
123.08076	3.7
125.09635	16.4
127.03946	1.5
129.07036	2.3
130.07840	1.2
131.08553	7.2
132.47836	1.4
133.06480	3.2
133.10152	5.7
135.08028	4.9
135.11676	4.4
137.09627	4.5
143.08559	3.5
145.10126	5.3
147.08055	5.2
147.11679	3.1
149.09673	2.6
149.13254	2.2
151.11287	1.2
157.10118	3.6
159.11688	3.6
161.09705	2.4
161.13283	1.5
163.03864	1.9
163.11131	1.8
165.09128	2.4
171.10170	1.9
171.11644	2.0
173.11865	1.8
175.11086	2.1
177.12776	2.9
179.06847	1.2
181.70493	1.3
185.04836	1.3
187.11189	1.1
189.11223	9.2
193.12331	2.2
195.13809	2.2
199.14796	1.2
201.12724	1.2
205.12253	2.3
223.13277	35.4
245.19034	1.9
250.08434	1.5
255.17509	1.3
263.20108	2.3
267.09030	8.2
268.09305	2.8
273.18503	13.4
285.10117	4.5
286.10355	3.1
291.19543	100.0
318.12888	1.4
347.12857	1.4
347.22360	2.5
365.10559	1.6
365.23190	66.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2322
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	3.8
55.01876	8.3
55.05270	1.9
55.05516	25.7
56.96564	8.8
57.03447	11.4
59.05005	1.8
61.02919	2.1
63.83119	1.3
65.03939	1.5
67.05509	35.3
67.52311	1.3
69.03437	14.8
69.07071	39.7
69.51895	1.2
71.04990	3.4
71.53226	1.8
71.95296	1.4
73.02891	1.9
79.05070	2.1
79.05501	31.3
81.03420	8.5
81.07060	28.7
83.04968	4.7
83.08624	11.9
85.02889	4.3
85.06513	2.5
91.03931	2.4
91.05486	22.1
93.07050	25.9
95.04974	9.2
95.08620	15.5
97.02898	13.8
97.06525	4.2
97.10175	18.5
98.97563	5.4
99.04431	2.1
105.07037	15.8
106.14520	1.5
107.04956	9.3
107.08601	19.1
108.05778	1.6
109.02877	2.1
109.06506	5.2
109.10178	11.7
110.97544	1.8
111.08080	4.3
116.98624	2.5
117.07041	7.7
119.08580	19.4
121.06487	3.3
121.10192	7.7
123.08073	4.6
123.11723	1.8
125.09650	11.3
127.03923	1.5
129.07019	3.3
131.00136	2.6
131.08572	10.0
133.06497	2.7
133.10161	8.4
134.99571	1.9
135.08035	5.1
135.11691	4.0
137.09618	3.6
143.08583	3.1
145.10118	9.7
147.03119	2.0
147.08067	7.1
147.11681	4.7
149.01247	3.8
149.09616	3.8
149.13255	3.9
151.11145	2.5
157.10129	5.2
159.11674	6.6
161.09592	4.2
161.13287	2.5
162.10477	1.6
163.11220	2.5
165.09094	3.4
169.10214	2.8
171.11673	3.0
173.11876	2.8
173.13255	3.0
175.11125	3.4
177.12801	2.1
185.04648	1.4
185.13257	3.6
187.11218	1.6
189.11241	7.5
193.12119	2.5
195.13805	4.7
203.05800	1.9
205.12241	3.2
213.07913	1.9
217.07686	1.4
221.11423	2.1
223.13283	31.6
227.12811	4.4
229.07498	3.1
241.07281	1.5
243.09024	2.2
245.19022	2.8
247.08455	2.2
251.09511	2.2
255.08890	1.9
255.17566	2.8
260.96500	1.5
263.20062	2.3
267.09027	5.8
267.15826	1.6
269.10571	7.2
273.18509	18.0
284.12784	5.9
285.10004	6.7
287.11594	4.4
291.19556	100.0
299.11722	3.0
337.66055	1.5
340.15219	6.0
347.22345	2.5
347.26755	1.7
365.10764	3.3
365.15546	8.8
365.23245	84.4
365.28015	3.3
366.23312	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	365.2302
Annotation	Galbonolide C
Peak:m/z	Relative Intensity
55.01871	0.8
55.05508	1.1
56.96576	3.4
57.03437	2.4
61.02913	2.3
67.05506	6.0
69.03413	1.3
69.07066	1.9
69.89771	1.8
69.90166	1.3
71.04990	1.0
73.02934	1.2
77.83786	0.7
79.05505	4.0
81.03410	2.2
81.07053	4.7
83.05012	0.7
83.08609	1.0
85.02897	1.9
91.03956	0.9
91.05468	3.1
92.05787	0.9
93.07042	4.1
95.04962	2.7
95.08598	2.9
97.02906	1.7
98.20807	0.8
98.97592	1.3
105.07026	2.8
107.08584	2.6
109.06501	1.9
109.10155	2.5
113.06014	2.1
117.06998	1.0
119.08588	1.1
121.02666	1.3
121.06510	0.9
121.10152	1.9
127.03892	0.8
131.08554	2.1
133.10155	4.3
134.10468	1.8
135.08083	1.3
135.11720	1.3
137.05711	1.5
143.08580	1.0
145.10117	1.6
147.11736	1.0
149.05797	0.6
159.11624	0.7
161.09697	1.1
175.14738	0.7
176.15189	1.0
177.08894	1.0
195.09978	1.9
199.06488	0.8
203.05786	0.9
204.18311	0.7
205.08371	34.0
207.09982	1.2
217.07562	0.9
221.11462	1.5
229.07561	1.4
249.14522	0.8
255.09097	2.1
263.12506	5.4
267.09003	2.3
273.09982	1.2
273.18451	1.2
277.14288	0.8
279.11902	1.0
285.10025	4.4
287.07895	0.9
291.19574	2.9
319.15146	0.8
347.18332	0.8
347.22128	1.5
365.19177	24.6
365.22998	100.0
366.23517	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2302
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	0.8
55.05508	1.1
56.96576	3.4
57.03437	2.4
61.02913	2.3
67.05506	6.0
69.03413	1.3
69.07066	1.9
69.89771	1.8
69.90166	1.3
71.04990	1.0
73.02934	1.2
77.83786	0.7
79.05505	4.0
81.03410	2.2
81.07053	4.7
83.05012	0.7
83.08609	1.0
85.02897	1.9
91.03956	0.9
91.05468	3.1
92.05787	0.9
93.07042	4.1
95.04962	2.7
95.08598	2.9
97.02906	1.7
98.20807	0.8
98.97592	1.3
105.07026	2.8
107.08584	2.6
109.06501	1.9
109.10155	2.5
113.06014	2.1
117.06998	1.0
119.08588	1.1
121.02666	1.3
121.06510	0.9
121.10152	1.9
127.03892	0.8
131.08554	2.1
133.10155	4.3
134.10468	1.8
135.08083	1.3
135.11720	1.3
137.05711	1.5
143.08580	1.0
145.10117	1.6
147.11736	1.0
149.05797	0.6
159.11624	0.7
161.09697	1.1
175.14738	0.7
176.15189	1.0
177.08894	1.0
195.09978	1.9
199.06488	0.8
203.05786	0.9
204.18311	0.7
205.08371	34.0
207.09982	1.2
217.07562	0.9
221.11462	1.5
229.07561	1.4
249.14522	0.8
255.09097	2.1
263.12506	5.4
267.09003	2.3
273.09982	1.2
273.18451	1.2
277.14288	0.8
279.11902	1.0
285.10025	4.4
287.07895	0.9
291.19574	2.9
319.15146	0.8
347.18332	0.8
347.22128	1.5
365.19177	24.6
365.22998	100.0
366.23517	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.1961
Annotation	Cinncassiol C2
Peak:m/z	Relative Intensity
55.01865	2.2
55.05500	2.3
57.03437	1.2
58.44656	1.2
58.57307	1.1
65.03931	1.6
67.05495	4.4
69.03415	3.5
69.07067	3.0
69.56895	1.3
70.76988	2.4
70.77312	1.6
71.04982	1.7
72.08146	1.4
79.05482	11.1
81.03410	2.4
81.07056	8.9
82.98441	1.3
83.04983	3.1
85.02905	2.1
91.05480	10.3
92.06254	1.6
93.07055	12.6
95.04946	4.6
95.08625	7.3
97.02879	2.8
97.06548	6.6
97.07065	1.3
98.20719	1.2
105.07039	13.1
107.04954	3.2
107.08613	8.2
108.05695	1.3
109.02872	1.3
109.06513	7.1
109.10153	4.7
110.07306	21.4
111.08050	2.6
117.07014	3.9
118.07865	1.2
119.04980	1.5
119.08578	10.8
120.05744	2.4
120.09406	1.9
121.06526	10.3
121.10121	3.1
123.08060	6.9
125.05966	1.4
125.09587	1.6
128.06216	3.1
129.07024	6.8
130.07727	1.4
131.04918	14.9
131.08554	9.3
133.06488	4.7
133.10150	6.3
134.07286	1.4
135.04460	2.5
135.08046	8.6
135.11722	1.4
136.06155	6.8
137.04607	2.0
137.05965	4.8
141.06973	3.8
142.07797	2.5
143.08563	9.9
145.06477	11.7
145.10117	7.5
146.07231	1.6
147.04427	2.7
147.08034	10.5
147.11705	1.8
148.08820	4.3
149.06046	1.8
149.09604	3.8
151.07495	1.6
151.11157	1.3
154.09857	1.8
155.08568	5.5
156.09323	2.1
157.06520	3.4
157.10098	8.1
158.07198	2.2
159.08051	6.6
159.11656	3.0
161.06017	3.4
161.09644	7.1
163.03880	2.2
163.07501	4.4
163.11134	1.6
167.08542	3.8
169.10100	4.1
170.10907	2.0
171.08067	5.4
171.11681	6.7
172.08717	1.8
173.09682	6.3
173.13237	3.1
174.10439	2.4
175.07556	1.6
175.11206	2.3
176.08308	4.6
181.10139	3.1
183.08054	2.7
183.11687	6.0
184.08820	2.0
184.12529	1.7
185.09636	5.9
185.13243	3.1
187.07558	1.9
187.11192	6.9
187.14801	2.6
189.09071	3.3
193.10178	2.9
194.10762	1.6
195.08105	2.7
195.11693	5.4
197.09563	5.2
197.13281	3.8
198.10448	1.9
199.07570	2.1
199.11180	4.5
201.09116	1.8
201.12749	2.8
203.05275	1.7
203.10553	1.3
203.14621	1.5
206.05684	2.6
207.11731	2.6
209.09503	1.7
209.13231	3.9
211.11137	7.1
211.14874	1.4
212.09134	2.3
213.09134	2.9
213.12752	3.8
213.16451	1.9
214.09955	1.3
215.10651	3.2
221.09633	1.6
223.14798	1.9
225.12697	5.5
226.13518	3.1
227.14299	12.7
228.11482	1.8
229.12276	2.2
231.13782	5.4
232.14566	1.8
233.15326	2.3
237.12640	6.2
239.10701	1.9
239.14380	1.7
241.15901	3.0
242.13055	2.1
242.16656	4.3
244.14584	4.4
245.15453	1.8
251.14479	2.9
253.15871	3.8
254.13115	2.1
255.13763	13.5
265.15909	1.9
267.17505	2.0
268.14694	2.8
269.15347	10.0
270.12857	2.2
270.16135	5.2
272.14001	1.7
273.14926	10.1
277.15662	1.9
283.16760	3.3
284.17599	6.5
285.14923	1.8
287.16458	11.6
295.16922	6.7
297.15015	9.1
299.16577	2.0
301.12949	2.1
301.17944	3.5
303.17743	5.4
305.17368	2.2
311.16583	1.6
312.17236	17.6
329.17468	37.9
329.20889	1.3
330.18039	4.0
347.13953	2.0
347.18555	8.4
348.19324	12.6
365.10477	4.3
365.19589	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.196
Annotation	Rabdoternin A
Peak:m/z	Relative Intensity
53.03933	0.7
55.01872	1.4
55.05509	0.8
57.03429	0.5
67.05518	2.5
68.99781	0.6
69.03429	2.7
69.07062	1.1
70.06566	0.6
70.69127	1.2
71.04993	1.0
72.08146	0.7
79.05489	4.6
81.03420	1.2
81.07062	5.8
83.04974	1.6
84.08124	0.4
85.02900	1.0
91.05480	7.8
93.07055	5.6
95.04456	0.5
95.04955	2.3
95.08614	4.4
97.02924	2.1
97.06542	1.4
103.05463	0.5
105.07040	9.1
107.04967	3.7
107.08582	5.6
109.02850	1.2
109.06518	1.7
109.10162	1.7
111.08080	0.6
115.05452	1.6
116.98644	0.4
117.07018	8.6
119.04906	0.7
119.08581	7.4
121.06524	3.6
121.10138	2.2
121.63086	0.5
123.04436	0.9
123.08066	1.3
125.05972	0.6
128.06229	1.0
129.07001	3.4
131.08580	9.6
133.06506	2.4
133.10136	4.4
135.04366	0.6
135.08066	3.5
135.11707	0.7
137.05983	0.6
141.06989	1.8
142.07784	1.1
143.08565	4.2
144.09361	0.5
145.06497	8.0
145.10136	9.1
147.04443	0.8
147.08084	4.9
147.11726	1.7
149.06030	1.0
149.09641	1.6
151.07553	0.7
151.11198	0.5
155.08559	4.5
156.09354	1.5
157.06461	0.8
157.10117	4.9
158.10922	0.6
159.08041	3.7
159.11702	5.1
161.06010	1.2
161.09613	2.1
161.13330	0.9
163.03857	0.5
163.07591	2.7
163.11273	0.9
165.07057	0.6
165.12617	0.4
166.07785	0.5
167.07230	0.6
167.08563	2.1
168.09285	0.6
169.10100	3.4
169.12224	0.7
171.08066	1.5
171.11713	4.4
173.09644	3.5
173.13260	4.3
175.07552	0.9
175.11182	1.7
175.14839	0.8
177.09138	0.8
177.12790	1.4
179.08534	1.2
179.10663	0.9
180.09456	0.5
181.10164	3.1
182.10915	1.8
183.08145	0.6
183.11691	1.9
185.09610	2.9
185.13239	2.6
187.07605	0.6
187.11174	2.6
187.14803	5.5
189.09093	1.0
189.12817	0.8
191.10706	0.6
193.10164	1.2
195.08081	0.9
195.11673	2.8
197.09666	1.2
197.13292	4.1
199.11198	0.9
199.14914	0.6
201.09175	0.6
201.12735	1.1
203.03178	2.3
203.05084	0.7
203.08383	0.7
205.10216	0.9
205.12173	1.1
205.15981	0.8
207.11650	1.3
209.09793	1.1
209.13269	1.8
211.11209	1.0
211.14828	0.5
213.12747	1.3
215.14304	5.5
217.10022	0.6
219.07944	0.8
219.11769	1.1
221.13274	1.1
223.11212	0.8
223.14835	1.7
225.12688	1.3
227.14117	0.7
232.12413	0.7
233.09581	0.6
233.13260	1.1
233.15378	4.1
235.11180	0.5
237.12708	2.3
237.16374	2.0
239.14444	1.0
241.12361	0.7
241.15883	1.5
242.08347	0.6
243.13805	1.8
245.09288	1.8
247.14830	2.3
249.12849	0.7
251.14322	1.8
253.12225	0.6
255.13765	1.4
255.17461	1.4
259.10913	0.6
261.14850	2.1
263.10208	1.2
265.12469	0.6
265.13058	0.7
265.15936	4.6
267.13959	0.6
269.15396	2.6
271.13309	1.4
275.14310	1.6
275.39777	0.4
281.15582	0.5
283.13385	1.3
283.16949	7.0
287.10333	1.0
293.15335	4.2
301.18018	1.4
305.11407	2.5
311.16431	5.8
323.12363	0.9
329.17462	5.7
333.10791	0.6
347.18542	100.0
348.18835	2.0
365.09775	0.6
365.13467	2.3
365.19727	10.8
381.97812	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.1959
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	2.6
55.01863	6.3
55.05487	5.1
57.03411	3.0
58.16315	2.6
58.44249	2.7
67.05521	11.7
68.15534	2.1
69.03427	4.2
69.07056	8.1
69.15057	25.3
70.06572	10.9
71.04972	3.2
79.05479	12.2
81.03428	14.8
81.07056	17.9
83.04961	7.5
86.09687	8.2
87.85422	2.4
91.05473	25.5
93.07042	24.7
95.04968	13.3
95.08617	12.8
96.41737	2.5
97.02895	5.5
97.06545	7.3
105.07037	31.7
107.04932	8.6
107.08595	21.3
109.06509	9.5
109.10110	7.4
110.07296	2.9
111.04390	2.9
111.08076	4.7
115.05450	3.9
116.25553	2.4
117.07013	10.1
118.80897	2.8
119.04926	4.5
119.08587	23.4
120.05714	2.4
121.06505	16.7
121.10125	8.7
123.08078	6.1
128.06166	2.9
129.07031	11.9
131.04924	18.3
131.08562	21.5
133.06485	7.3
133.10110	12.8
135.08051	12.2
135.11685	5.2
136.06161	3.8
137.05975	11.2
141.07001	3.5
142.07678	2.9
143.08578	20.2
145.06493	21.0
145.10106	17.9
147.04385	3.6
147.08066	15.8
147.11661	2.5
148.08769	2.7
149.05931	5.3
149.09570	5.7
151.07533	4.5
155.08536	8.6
157.06490	3.5
157.10100	15.7
159.08031	10.1
159.11646	7.3
161.09627	7.7
163.03856	3.5
163.07500	8.3
163.11162	3.6
164.08377	3.5
167.08525	5.7
169.06470	2.7
169.10147	13.4
171.08055	10.5
171.11664	9.8
173.09625	9.2
173.13315	4.5
175.11182	4.0
178.07883	3.2
178.09961	3.5
179.10555	3.0
181.10114	9.7
183.08003	5.9
183.11667	10.4
185.09618	5.1
185.13223	4.6
187.11130	5.1
189.09094	2.9
193.10059	4.8
195.11684	7.7
197.09569	10.3
197.13351	5.3
199.11148	9.4
199.14850	3.9
201.12729	3.7
201.16470	4.2
203.10698	3.1
207.11673	4.2
209.13217	10.6
211.11131	6.1
211.14720	5.4
213.09123	3.7
213.12762	5.7
215.10680	7.7
215.14357	2.7
219.13808	7.1
220.12430	2.6
221.13109	2.9
223.14796	5.8
225.12729	4.8
225.16342	4.6
227.14264	7.2
235.11200	3.8
235.14766	3.3
237.12767	8.9
239.10635	3.5
239.14320	5.5
239.17867	2.7
241.15912	3.7
243.13777	3.2
243.17407	2.7
249.16521	3.6
251.14215	5.2
253.15910	8.0
255.13751	7.8
261.14905	4.8
265.16022	3.3
267.13806	3.2
267.17389	10.5
269.15338	10.6
270.16083	3.2
271.16943	21.7
273.14932	12.6
277.15970	11.5
283.16788	3.6
284.17621	3.2
285.18408	6.8
287.16357	4.8
295.16873	25.8
301.17920	4.0
302.18207	2.7
303.17862	7.6
305.17422	5.8
311.16339	4.6
312.17081	8.5
313.17990	85.7
329.17450	7.8
330.18185	7.3
331.18936	5.1
347.14822	3.4
347.18472	20.7
365.10410	7.2
365.19513	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.1961
Annotation	Gibberellin A18
Peak:m/z	Relative Intensity
55.01867	4.0
55.05501	3.0
57.07067	6.3
67.05496	7.8
69.30721	21.5
70.06591	2.2
74.97018	2.2
79.05486	15.5
79.64258	2.4
81.07056	10.2
83.04964	4.3
91.05492	21.1
93.07046	15.0
95.04943	4.2
95.08600	8.2
98.62211	2.7
103.69460	2.5
105.07030	22.7
107.04927	3.6
107.08611	12.7
109.06520	8.8
111.04421	2.9
115.05473	3.6
117.07021	14.2
119.04964	3.4
119.08596	13.5
121.06509	10.5
121.10131	5.7
123.08120	3.6
125.05997	19.3
129.06973	12.0
130.07849	2.7
131.08566	19.2
133.06433	4.2
133.10136	8.0
135.08041	9.5
135.11765	3.3
137.05959	6.7
141.05423	2.8
141.06976	8.9
143.08571	13.6
145.06465	6.5
145.10135	12.1
147.08015	13.1
147.11690	4.1
149.05975	4.8
149.09630	9.2
151.07597	3.8
153.09106	8.9
155.08569	12.4
157.10168	12.8
159.08035	6.8
159.11731	13.5
161.05989	34.1
161.09608	3.9
163.07526	5.4
165.06970	2.5
167.08582	6.7
169.10124	9.3
171.08064	2.9
171.11749	4.5
173.09641	6.7
175.07568	3.6
175.11234	5.6
179.08542	2.9
180.09364	2.7
181.10117	14.6
182.54848	2.5
183.11687	7.5
185.09618	9.9
185.13432	3.1
187.07553	3.6
187.11226	3.9
191.07034	9.1
193.10175	5.5
195.08168	5.1
195.11690	17.1
197.09703	4.7
197.13402	3.2
199.07433	2.7
199.11221	6.4
203.08414	2.9
205.10110	4.7
207.11734	5.7
209.09676	5.8
209.13245	8.6
211.11217	5.4
211.14742	3.0
213.09201	2.7
213.12738	9.5
213.16357	4.9
219.11766	6.1
221.13293	4.3
223.11253	6.2
223.14809	15.7
223.26913	2.3
225.12775	7.7
227.14331	6.1
235.11172	2.6
237.12695	12.2
237.16403	8.7
239.14330	4.7
241.12305	6.2
241.15862	6.7
247.14836	7.9
249.16380	4.6
251.14317	8.2
253.12292	2.6
253.15915	4.8
255.13899	7.4
255.17429	20.9
265.12451	5.7
265.15884	44.1
267.17484	8.0
275.14328	4.8
277.98541	2.4
281.15323	4.5
283.13651	4.4
283.16913	79.5
284.17319	4.0
285.18423	2.8
293.15393	42.8
299.16473	6.8
301.17905	18.0
311.16418	100.0
312.16843	3.7
319.18951	21.5
329.17432	38.7
347.18573	15.3
365.10590	3.7
365.19662	29.7
378.02365	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	365.1961
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	3.0
55.01868	8.0
55.05494	6.1
56.05001	3.6
56.96537	2.9
67.05512	15.1
68.81963	2.9
69.03426	6.5
69.07053	12.4
69.26778	8.4
69.27197	18.6
70.06593	23.4
71.04976	3.7
72.08127	3.2
79.05485	21.4
81.03421	13.8
81.07067	22.5
83.04954	7.9
85.02901	6.8
86.09687	16.8
88.43702	3.5
89.07688	2.8
91.05465	26.1
93.07043	32.4
95.04939	11.1
95.08590	17.3
95.55944	2.7
97.02871	12.1
97.06516	9.6
97.78481	2.6
98.20773	5.2
98.97578	5.0
99.04411	3.2
103.05452	4.5
105.07044	39.7
107.04939	10.9
107.08598	24.8
109.06501	12.1
109.10126	8.8
111.04430	5.0
111.08034	3.8
111.24130	2.7
115.55125	2.8
117.07024	15.3
119.08586	23.4
121.06487	23.1
121.10139	16.6
123.04424	5.2
123.08045	8.5
129.06982	12.8
131.04921	26.0
131.08586	22.0
133.06453	9.8
133.10144	16.5
135.04434	3.4
135.08086	13.6
135.11642	5.5
136.06171	9.0
137.05949	14.4
138.05534	3.5
139.03871	7.1
139.07556	3.6
141.06935	8.2
142.07770	4.3
143.08577	20.2
145.06506	22.9
145.10104	17.7
147.04391	6.7
147.08008	12.3
147.11613	7.7
149.05962	5.6
149.09576	8.5
155.08571	14.5
157.06459	5.0
157.10144	15.6
159.08032	6.9
159.11696	14.3
161.05974	3.6
161.09634	11.4
163.03947	15.3
163.07622	6.4
163.11169	4.6
165.06897	4.2
167.08548	6.0
169.10129	13.9
171.08008	11.8
171.11650	11.9
173.09576	9.4
173.13223	6.6
174.10297	3.8
175.11195	3.4
177.09114	3.7
178.09866	3.6
179.08481	4.4
181.06525	3.7
181.10205	13.6
183.08041	5.1
183.11670	9.2
185.09598	5.4
185.13229	7.9
187.07661	3.5
187.11130	7.5
187.14827	3.2
189.05376	6.3
189.09155	6.9
191.10632	4.8
193.10141	7.6
195.08076	3.5
195.11661	9.4
197.09604	13.1
197.13190	5.7
199.11156	5.4
199.14862	5.5
201.12654	4.4
203.05229	6.7
203.06949	3.4
203.10663	5.1
207.11609	6.0
209.13223	10.3
211.11162	7.7
211.14832	7.8
213.12704	5.7
215.10635	8.7
219.13719	7.7
221.13243	3.8
223.14783	5.3
225.12746	5.7
225.16319	6.5
227.14267	8.9
229.12389	2.9
235.14900	5.0
237.12630	7.5
239.14177	7.0
239.18231	3.1
241.12167	3.1
241.15820	6.8
249.12608	3.4
251.14230	6.0
253.15866	14.5
255.13698	8.6
257.15298	3.2
267.17209	6.4
269.15298	12.3
270.16245	3.9
271.16919	32.7
273.14774	9.2
277.15735	11.1
285.18652	13.4
287.16379	4.0
295.16940	27.9
296.17657	4.7
301.17770	3.9
303.17758	17.3
305.17462	8.2
311.15887	3.1
312.17197	10.8
313.17987	89.3
329.17517	9.4
330.18195	3.9
331.18954	5.2
347.18411	21.9
365.10532	15.7
365.15018	4.8
365.19501	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.1727
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	3.9
55.01884	5.3
55.05514	23.1
56.96296	3.3
56.96566	36.0
57.03423	9.8
59.04969	2.7
61.02912	9.5
67.05505	28.0
69.03411	10.4
69.07069	28.3
71.67527	2.3
71.95245	2.8
72.50422	2.7
73.02917	5.2
79.05490	23.4
81.03410	7.2
81.07059	26.2
83.04983	6.2
83.08624	5.3
85.02911	5.3
91.05491	16.4
93.07064	20.4
95.04969	8.7
95.08590	10.8
95.73941	2.8
97.02914	15.0
97.10153	7.9
97.10739	2.8
98.21555	4.7
98.97597	4.5
101.02356	3.9
103.06972	2.7
105.07014	12.6
107.04938	8.0
107.08583	15.5
109.06481	4.4
109.10155	9.7
111.08035	4.4
115.00719	2.9
117.06985	7.3
119.08556	14.8
121.06506	4.3
121.10142	6.2
123.08079	4.3
123.11735	2.8
125.09602	6.4
127.03923	3.7
131.08566	10.2
133.10095	9.4
135.08070	5.3
135.11668	2.8
137.09583	5.0
141.02135	2.8
143.08539	5.9
145.10126	6.0
147.08066	4.3
147.11749	3.1
149.09543	4.5
151.11154	4.1
157.10141	4.5
159.11687	4.7
161.09586	3.9
161.13235	4.1
163.11198	2.4
165.09032	3.6
171.06650	2.8
175.11104	3.0
183.06749	2.7
185.04758	4.7
199.06409	9.8
204.04405	2.5
217.07471	11.4
223.13252	15.1
227.12775	2.7
229.07529	3.3
231.09114	4.3
237.08179	3.2
241.07423	5.0
245.19025	3.0
251.09518	8.9
255.09087	12.9
259.08505	10.3
267.09079	10.0
269.10577	45.5
271.08801	3.1
273.10129	6.2
273.18518	12.4
283.08722	2.8
285.10040	19.3
287.11581	12.7
291.19516	54.6
292.12076	3.4
295.12106	3.1
347.15344	7.0
347.21866	3.0
365.16977	100.0
365.23187	35.3
365.28174	4.5
383.17331	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	365.1056
Annotation	Unknow
Peak:m/z	Relative Intensity
57.78864	0.7
59.47480	0.7
66.58184	0.7
71.30512	0.8
71.30828	0.9
80.65691	0.7
83.40485	0.6
85.07108	0.6
101.00906	1.1
113.00859	1.1
117.90364	0.7
119.01954	1.2
131.01886	1.0
133.09529	0.7
143.01923	1.4
155.01912	1.3
163.03888	1.6
173.03012	2.2
185.04251	18.8
197.02933	0.8
203.05292	41.9
215.03905	0.8
217.05531	0.8
235.06639	3.4
245.05096	3.8
253.07715	1.1
254.88853	0.7
289.07840	1.1
333.06610	3.0
344.21899	0.8
365.10571	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.1054
Annotation	Unknow
Peak:m/z	Relative Intensity
70.34916	0.4
70.35248	1.1
94.65812	0.4
98.20778	0.5
104.38798	0.4
131.92270	0.5
185.04216	17.0
203.05266	42.9
303.70529	0.5
365.10550	100.0
366.10788	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.0633
Annotation	Unknow
Peak:m/z	Relative Intensity
55.34666	0.8
56.96566	44.5
56.96849	2.2
64.41913	0.8
70.06577	2.3
71.52567	1.0
72.08136	1.3
81.65099	0.8
84.08134	0.8
84.96032	7.0
85.02892	1.0
88.69872	0.8
98.97591	39.5
105.07021	0.9
110.07154	2.2
110.97578	15.4
112.99125	2.6
116.98631	14.2
120.08138	0.9
120.88984	0.8
121.06540	1.0
124.99107	1.7
128.98608	11.4
129.36046	0.9
131.00154	2.4
134.99664	2.7
140.98561	1.3
143.00140	4.8
144.98016	1.4
146.99666	6.3
147.04330	1.2
147.27071	0.9
152.98590	1.2
158.99646	3.2
161.01237	6.5
169.01682	1.4
170.99683	4.1
177.00725	3.7
177.02213	2.0
185.04262	1.0
189.00723	3.4
191.00159	4.0
195.03319	6.7
201.00758	2.9
203.00165	1.6
203.05293	2.2
209.01193	2.7
213.04349	5.1
216.03224	1.0
219.01753	13.8
221.01228	8.9
234.04161	1.0
235.11862	1.1
237.02823	20.0
239.02281	32.6
242.03383	1.1
257.03348	12.7
260.04398	1.1
262.03915	2.0
263.02310	3.0
275.02274	1.1
280.04941	1.8
281.03320	2.3
305.03488	2.0
307.04898	1.5
317.03406	1.6
347.04532	1.3
347.16702	5.6
365.05542	100.0
365.10568	6.1
365.17715	6.1
365.21744	2.8
366.05905	2.0
366.10941	1.0
383.06400	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	364.0277
Annotation	Unknow
Peak:m/z	Relative Intensity
52.03710	1.2
56.96568	67.8
66.70916	1.4
70.06593	1.4
72.75652	1.1
74.02435	1.3
74.97631	1.6
78.69147	1.4
83.84194	1.0
85.02911	1.8
85.99220	2.3
87.24388	1.4
88.40092	1.0
95.04943	1.6
97.02893	1.1
98.97614	2.0
110.97644	1.4
111.03470	1.1
120.92713	1.7
123.32355	1.3
129.98126	1.6
130.06557	3.6
135.04445	1.3
143.00218	1.3
145.02856	1.5
145.06087	2.0
147.99220	2.1
150.00708	2.0
158.52983	1.2
163.03920	7.5
167.03790	2.4
174.02261	9.7
177.00722	1.3
183.95868	6.7
186.02271	13.2
188.03857	13.2
192.03346	12.6
200.03822	7.4
201.96942	8.4
202.01781	2.8
204.03339	32.3
206.04926	30.0
215.04918	5.5
216.03339	29.4
217.06505	2.9
218.04916	15.9
220.02826	4.9
222.04393	16.2
224.05975	5.3
226.02034	1.7
232.02759	2.3
234.04385	45.8
235.07506	3.0
236.06007	4.0
238.03836	1.7
243.04326	6.3
244.02882	12.9
250.03856	1.5
252.05441	16.1
261.05490	53.7
262.03897	30.0
279.06537	27.8
279.99741	2.2
280.04919	11.9
284.07086	1.3
297.02170	18.4
298.00516	8.4
313.99985	7.2
315.03339	6.1
316.01620	12.6
323.00171	5.9
323.98349	5.6
341.01160	100.0
341.99536	31.5
359.02216	57.4
360.00662	4.1
364.02811	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	364.2119
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	1.4
56.08315	0.7
56.96564	1.0
57.03440	1.0
66.65154	0.8
67.05502	2.5
69.03406	0.8
70.06590	1.7
71.52547	1.3
73.14056	0.7
79.05492	4.2
81.03433	3.9
81.07052	5.5
83.04996	2.3
83.07566	0.7
84.04495	1.5
84.08153	1.9
85.02899	0.8
89.03916	1.4
91.05490	4.9
93.07052	5.6
95.04994	2.3
95.08636	2.6
97.06551	0.8
105.07048	6.5
105.34618	0.8
107.04933	1.7
107.08605	3.6
107.57422	0.7
109.02897	2.1
109.06487	1.7
111.08064	0.9
117.03441	1.8
117.07034	6.3
119.08593	6.6
120.08101	0.8
121.06542	2.9
121.10152	2.3
123.04454	1.6
123.08123	1.2
129.07030	2.9
130.05005	1.5
131.08569	8.3
131.96712	2.9
133.06525	3.3
133.10149	3.2
135.04411	1.1
135.08105	3.0
137.05995	1.3
141.07039	1.0
142.07846	0.9
143.08563	4.8
145.02844	5.0
145.06485	11.4
145.10117	7.7
146.03226	3.3
147.08081	4.1
147.11711	1.3
149.06033	1.8
149.09636	1.8
150.06404	1.0
151.07651	0.8
152.06273	0.9
155.08575	4.0
157.10138	5.1
159.08122	3.2
159.11729	5.4
161.06113	1.1
161.09651	2.7
163.03947	4.1
163.07608	3.0
167.07088	8.3
167.08588	2.1
168.07410	7.4
169.08904	0.8
169.10129	4.6
171.08089	1.6
171.11642	4.7
173.09697	3.2
173.13228	3.8
175.11221	2.0
177.05481	6.4
177.09122	1.2
178.05807	5.5
179.08582	1.0
179.10783	1.2
180.09399	1.1
181.10179	2.2
182.10957	1.4
183.08051	1.1
183.11797	2.0
185.09688	3.6
185.13310	3.1
187.11249	3.1
187.14839	8.5
188.14734	1.0
195.08087	1.1
195.11781	2.9
197.09731	1.5
197.13309	3.8
199.11279	1.3
205.10313	1.3
207.11765	1.9
209.13283	2.8
211.11253	1.0
213.12794	1.0
215.00517	0.9
215.14357	5.5
219.11667	1.0
221.13377	1.5
223.11259	1.3
223.14795	1.5
227.14333	1.3
232.12531	1.3
233.13510	0.8
233.15401	4.9
234.11292	3.5
235.11516	7.2
237.12868	1.3
237.16548	2.8
247.15004	2.6
249.12675	1.2
251.14394	2.2
255.13774	1.6
255.17641	2.9
265.15927	6.4
267.16367	1.0
267.66159	0.9
269.15451	2.4
271.13174	2.0
275.14441	2.4
281.15643	1.3
283.13669	1.8
283.17053	6.9
293.15408	6.6
301.14853	0.8
301.18057	1.8
302.17828	1.2
303.08701	1.6
304.17395	3.5
311.16364	8.1
328.16278	1.1
329.17441	5.9
347.18558	100.0
348.19022	1.1
364.21252	94.3
365.05188	1.1
365.21698	1.9
374.79272	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.3105
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	2.4
55.05507	11.0
56.96566	5.2
57.03463	2.8
57.07084	4.6
67.05497	15.9
69.03445	4.5
69.07067	23.6
69.49317	2.1
70.21195	9.2
71.05002	3.2
71.08637	4.8
79.05490	13.8
81.03427	4.4
81.07053	51.2
83.08618	10.4
85.02877	2.3
85.06544	3.1
91.05492	11.3
93.07040	20.5
95.04991	4.1
95.08606	34.1
97.02910	3.3
97.06538	7.3
97.10241	2.5
98.97623	3.3
105.07065	10.0
107.08586	17.0
109.06572	3.4
109.10168	25.0
111.08123	8.7
111.11732	5.3
119.08611	10.6
121.10120	11.9
123.08123	2.4
123.11729	15.8
131.08621	6.0
133.10176	4.5
135.11685	10.5
137.13266	11.9
139.11214	5.2
143.08641	2.5
145.10176	4.4
147.11725	5.3
149.13321	8.7
153.12790	8.5
155.14314	5.8
159.11705	2.4
161.05983	2.3
161.13374	2.7
163.03944	8.5
163.14854	4.6
165.05559	2.3
165.12816	3.5
167.07124	9.9
167.14471	2.6
169.10216	2.8
176.07121	3.0
176.10738	5.6
177.16385	2.2
186.71010	2.4
191.07153	2.3
205.11058	5.7
235.18407	2.0
261.25787	2.9
267.17636	2.6
270.23630	1.9
273.25897	3.1
279.26877	2.8
291.26801	16.6
297.28012	4.5
302.17529	23.4
309.28046	8.5
325.68573	2.2
327.29263	2.8
346.20178	3.0
363.17511	4.5
363.23737	100.0
364.21329	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	363.2894
Annotation	2'(R)-Hydroxylanneaquinol
Peak:m/z	Relative Intensity
54.55750	0.3
55.01863	0.5
55.05517	2.7
57.06840	0.3
57.07080	5.5
61.82473	0.4
67.05512	4.6
69.07074	3.1
69.76071	1.9
71.08640	3.9
79.05501	2.6
81.07059	8.9
83.04478	0.4
83.05009	0.4
83.08607	1.0
85.06541	2.6
89.06019	0.6
91.05468	1.8
93.07041	2.5
95.04962	0.4
95.08616	6.9
95.09190	0.8
97.06557	0.7
97.10161	0.7
99.08103	2.0
99.13951	0.4
105.07030	2.6
107.08611	3.2
109.06525	17.6
109.10170	2.8
111.08119	1.1
119.08533	2.1
121.06493	0.5
121.10149	1.9
122.07270	1.9
123.08074	25.7
123.11720	0.9
133.10118	1.8
135.08057	2.5
137.09607	1.4
137.13263	0.6
139.11156	0.5
139.39536	0.4
145.10115	0.7
147.11716	1.1
149.09595	0.7
149.13272	0.7
151.09808	0.4
151.14786	0.5
159.11632	0.6
161.13226	0.6
165.12750	0.7
167.14311	0.8
175.14857	1.0
177.16272	0.4
179.14319	90.8
180.14706	0.7
193.15897	2.9
307.22766	0.8
319.88925	0.3
331.26422	3.4
345.27856	0.6
363.28937	100.0
364.29230	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.2893
Annotation	Unknow
Peak:m/z	Relative Intensity
51.19363	0.5
55.01868	0.8
55.05512	3.8
55.76593	0.5
57.07067	1.3
57.41109	0.5
60.51030	0.5
62.61137	0.5
67.05509	5.0
69.06732	0.8
69.07075	9.5
69.14522	3.9
69.14938	1.6
71.04977	1.2
71.08638	1.1
73.06557	0.6
73.62498	0.5
77.06710	0.5
79.05489	3.2
81.07059	8.5
83.05003	0.8
83.08624	3.1
85.06532	0.9
89.06028	1.1
91.05470	1.9
93.07054	3.8
95.04975	0.7
95.08611	8.4
97.06518	1.5
99.08061	0.6
105.07054	3.5
107.08614	4.8
109.06525	7.1
109.10173	4.6
111.08073	1.6
111.11691	0.5
115.19202	0.5
119.08571	3.4
121.10151	2.9
123.08076	51.3
123.11715	1.7
125.09640	0.6
131.08588	1.0
133.10139	2.4
135.08043	3.8
135.11688	1.9
137.09639	3.5
145.10176	1.3
147.11722	1.5
149.09590	0.7
149.13269	2.2
151.11150	0.6
152.27234	0.6
159.11699	1.2
165.12762	0.7
167.14462	0.6
173.13110	0.6
179.14336	11.4
187.34425	0.5
233.19032	0.8
252.60616	0.6
289.25183	0.9
303.26825	0.7
307.22699	6.9
321.24347	1.1
331.26382	4.1
363.28952	100.0
364.29337	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	363.2891
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	2.4
57.07072	4.8
67.05512	4.2
69.07068	4.0
71.08643	4.1
71.26370	1.3
79.05499	2.7
81.07057	8.1
83.04970	0.8
83.08601	0.8
85.06526	2.7
88.22554	0.6
89.06011	1.6
90.34857	0.5
91.05466	2.1
93.07046	2.8
95.08611	7.5
97.06515	0.8
97.10154	0.8
99.08082	2.0
105.07027	2.3
107.08577	2.7
107.51179	0.6
109.05797	1.0
109.06518	15.5
109.10143	2.7
110.07381	0.6
111.08087	1.7
119.08556	2.5
121.10161	2.5
122.07275	1.8
123.08068	25.9
123.11713	1.3
131.08517	0.8
133.10130	1.4
135.08075	2.5
135.11676	0.7
137.09581	1.1
137.13208	0.6
145.10155	0.8
149.13197	0.8
153.76317	0.6
161.13222	0.7
165.12756	1.2
167.14360	1.0
173.13240	0.8
179.14311	91.8
180.14706	1.1
193.15871	2.4
194.31093	0.6
195.12289	1.1
220.61066	0.5
289.25073	0.6
331.26392	3.7
363.28928	100.0
364.29190	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	363.2167
Annotation	Sarcophytin
Peak:m/z	Relative Intensity
53.03939	0.6
55.01861	0.9
55.05514	1.0
56.96568	2.3
57.03434	0.6
57.90130	0.4
61.02909	0.5
67.05511	3.5
69.03421	1.3
69.07059	1.7
69.89342	1.7
73.02929	0.5
77.30019	0.5
79.05498	4.9
81.03397	1.1
81.07059	6.8
83.04990	1.3
83.08604	0.6
85.02913	1.4
91.03986	0.5
91.05486	10.1
91.08837	0.4
92.27407	0.5
93.07043	6.3
95.04980	1.2
95.08614	6.4
97.02908	2.6
97.06538	1.4
98.97598	0.7
105.07038	8.0
107.04948	1.3
107.08604	4.1
109.06532	1.3
109.10170	2.9
111.08139	0.4
117.07024	11.3
119.08588	8.9
121.06477	2.2
121.10162	2.5
123.04449	0.5
123.08086	1.4
123.11678	1.0
124.07615	0.4
125.09670	0.6
127.03919	0.6
127.07516	0.5
128.06207	1.0
129.07011	3.9
131.08574	8.9
133.06502	0.9
133.10106	4.0
133.36067	0.5
135.08011	2.7
135.11694	1.1
137.09607	1.2
141.06987	1.3
142.07768	0.7
143.08569	6.8
145.06465	1.5
145.10139	4.9
147.08009	2.4
147.11659	3.2
149.09601	1.5
149.13274	0.5
151.07556	0.8
153.09201	0.6
155.08574	3.8
157.08835	0.4
157.10126	6.9
158.10974	0.5
159.08124	2.2
159.11700	8.6
161.05988	0.8
161.09651	2.2
161.13278	2.3
163.07573	2.0
165.09138	3.7
167.07060	2.0
167.08591	1.2
169.10100	4.3
171.11703	4.7
173.09650	0.9
173.13309	1.3
175.11157	1.4
175.14864	0.6
177.09108	1.5
179.08553	1.3
179.10638	0.6
181.10133	1.9
183.11697	2.8
185.09657	1.2
185.13228	1.0
187.11206	0.7
187.14812	0.6
189.12793	0.5
189.16402	1.2
193.10202	1.4
195.08237	0.6
195.11674	1.6
197.09679	1.1
197.13251	3.1
199.14824	8.6
201.09052	0.6
201.12752	0.5
205.10010	0.5
206.10892	0.6
207.08130	0.5
207.11748	1.9
209.13234	1.6
211.14806	2.0
213.12801	0.7
215.10655	0.6
215.14359	0.8
217.15935	3.9
219.11758	0.5
220.82828	0.5
221.13300	3.1
221.15100	0.6
223.14827	1.5
224.27867	0.4
225.12749	1.4
225.16367	1.5
229.15794	1.4
231.11870	0.5
235.11186	1.5
235.14752	1.5
235.16946	1.2
237.12787	1.4
239.14409	2.2
239.18004	1.8
243.13872	0.6
249.12779	1.3
249.16435	3.8
251.14627	0.9
253.12254	0.5
253.15887	0.7
255.13832	1.9
257.15457	1.2
259.14798	0.7
267.13870	2.1
267.17474	4.8
277.15793	3.0
283.16870	1.1
285.18396	1.3
295.16922	10.1
313.17975	2.1
323.17010	2.8
331.19055	100.0
332.17514	0.7
332.19687	1.4
345.16473	3.0
354.17395	0.4
363.18042	1.0
363.21719	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	363.1911
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	0.7
56.96564	0.6
60.55884	0.6
69.03407	1.4
69.07036	0.9
71.52602	0.8
79.05512	0.6
81.07030	0.8
83.04938	0.7
84.08150	7.2
85.02889	0.9
89.03904	2.5
91.05461	1.3
93.07018	0.7
97.02869	0.9
98.97579	0.7
105.06987	1.0
107.08607	0.8
108.93503	0.6
109.06470	0.6
117.03382	11.8
121.06481	0.9
127.12246	1.3
135.08014	0.8
139.03978	0.6
142.08618	1.1
145.02846	51.5
147.04431	0.8
147.07954	0.7
149.05927	4.1
150.69560	0.6
153.10257	0.6
161.06026	1.1
163.03886	1.1
167.07048	0.7
168.22081	0.5
170.11781	3.0
170.99809	0.7
176.07063	1.0
177.05470	94.3
187.14423	8.1
213.12410	1.4
219.08934	1.4
234.11250	100.0
235.11440	1.7
301.17627	0.7
303.17014	18.3
309.14856	0.8
327.15918	1.0
345.16928	0.9
363.06372	1.1
363.19174	67.6
364.19507	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.1804
Annotation	3,4,5,3',4',5'-Hexamethoxybibenzyl
Peak:m/z	Relative Intensity
55.01860	2.1
55.05508	1.1
56.96562	2.7
57.03428	0.9
59.05005	0.9
65.03935	1.3
67.02290	0.9
67.05498	5.8
69.03420	2.5
69.07055	1.4
71.04987	1.0
71.52744	1.0
72.08143	0.9
75.44265	0.8
79.05512	4.7
81.03424	11.1
81.07053	4.5
83.04981	1.9
84.08154	1.4
85.02905	1.6
85.06532	0.9
91.05486	11.9
93.07045	5.3
95.04959	3.3
95.08580	3.3
97.02883	2.4
99.36237	1.0
105.07047	8.5
107.04958	2.0
107.08585	4.8
109.02866	1.2
109.06515	1.9
111.04458	1.5
112.04900	0.8
115.05427	1.7
117.07035	7.1
119.04946	2.7
119.08557	3.9
121.06510	3.4
121.10126	1.4
123.04436	6.1
123.08066	1.1
128.06230	1.7
129.06981	2.3
131.04922	1.7
131.08536	5.7
133.06482	2.2
133.10123	3.4
135.08043	2.4
136.06151	2.3
136.07663	1.0
137.05986	9.1
139.03902	1.8
140.07065	2.2
141.06998	1.6
143.08607	4.2
145.06482	3.4
145.10117	3.8
147.04414	48.9
147.08073	2.4
147.11671	0.9
151.03905	0.9
151.07539	2.5
155.08545	1.6
157.10098	3.1
159.08038	3.2
159.11703	1.2
160.05206	2.5
161.05995	20.5
163.03934	3.0
163.07516	1.3
167.07056	11.1
169.10130	1.2
171.08075	1.5
173.05965	4.1
173.09682	1.7
175.07472	1.6
179.08574	2.1
181.10117	2.6
183.08093	2.1
183.11617	1.0
185.09595	1.5
187.07545	3.3
189.09137	2.8
193.10130	1.3
195.08031	2.1
195.11661	0.9
197.05945	1.2
197.09511	1.6
199.07503	1.9
201.09105	1.5
205.10191	1.3
207.11810	1.3
209.09653	1.7
209.13234	1.0
211.07709	1.8
212.02829	1.0
213.09094	2.1
219.08087	1.1
219.11810	1.3
221.09599	1.1
221.13316	0.9
223.11270	1.3
233.09647	1.3
235.11278	1.1
237.09036	1.3
237.12773	4.9
239.14313	1.6
247.11026	1.2
251.10567	1.4
253.12077	1.2
255.13799	2.3
263.14365	1.9
265.12192	1.3
267.14063	1.1
271.13303	2.4
273.12656	1.1
281.15115	1.4
289.11826	2.1
291.13849	3.2
302.17496	2.3
306.59265	0.9
309.14917	2.8
327.15900	2.5
345.16974	4.0
355.33905	1.0
363.18036	100.0
364.19370	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.155
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	1.5
54.68950	1.2
55.05511	3.0
56.96540	1.5
67.05500	5.3
68.05025	2.8
69.03420	3.6
69.07077	7.9
69.43076	8.8
70.02945	1.9
70.06597	8.9
72.08150	5.8
79.05518	3.1
80.05019	1.3
81.03436	4.9
81.07047	3.3
84.04497	1.5
84.08134	5.3
84.21837	1.3
85.02889	1.8
86.09701	1.9
88.98012	1.3
91.05482	4.7
93.07050	2.8
93.21818	1.3
94.06561	15.2
95.04975	3.1
95.08607	2.0
96.04475	2.1
97.02925	2.2
97.06491	1.6
98.06039	1.9
98.97603	2.1
103.05404	1.4
105.07015	4.5
107.04938	2.4
107.08603	1.9
108.08118	2.1
110.06029	3.5
112.07621	3.8
116.05000	3.4
117.07018	2.0
118.06552	2.0
119.04917	1.6
119.08596	2.5
120.04459	1.7
120.07974	1.2
121.06542	3.0
121.10211	1.2
122.06022	43.3
123.04428	3.6
123.08071	1.6
131.04901	2.1
131.08533	3.1
133.10143	3.9
136.07587	3.6
140.07062	56.5
143.08553	2.0
144.04422	9.1
145.10121	2.1
146.06027	12.8
147.04417	3.8
147.08087	1.5
148.03902	6.1
150.05566	3.4
155.08498	1.5
161.05974	7.1
162.05510	11.2
165.05437	1.5
167.07025	2.8
168.13887	3.2
172.03940	45.0
174.05515	4.4
175.07581	1.3
177.05447	3.5
178.08582	1.2
186.14946	2.9
190.05046	9.3
199.14787	1.5
204.06560	100.0
206.08125	32.3
211.11401	1.7
215.02501	1.6
220.13327	8.3
222.07669	3.8
224.12776	1.7
225.12730	1.6
238.14420	5.7
243.51462	1.3
244.09734	5.7
260.13589	1.4
263.14285	1.5
271.10757	2.8
272.09116	2.0
289.11816	17.0
301.14490	1.0
301.17587	29.4
307.12860	5.5
309.14734	1.6
313.11664	3.0
317.12109	2.1
327.16074	1.8
327.19330	2.5
331.12985	9.1
345.14133	16.5
345.20547	1.9
363.13818	4.4
363.18225	8.1
363.23044	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	362.0039
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03426	1.6
61.02924	1.7
69.03437	4.0
70.06569	1.1
71.52137	1.4
73.02908	2.5
85.02908	7.7
87.04447	0.9
90.14915	0.8
94.06561	2.6
97.02895	4.0
98.97557	6.2
109.02888	1.2
110.97592	1.8
119.01907	1.0
125.96202	0.9
127.03901	3.8
132.02113	48.8
138.05469	1.0
140.02249	1.0
143.00188	0.9
145.04944	2.3
146.02261	1.5
146.99632	0.8
158.99629	4.4
161.02785	1.3
170.99721	2.1
171.34909	0.9
176.01102	100.0
177.00777	1.5
182.03285	3.3
182.99698	1.2
189.00745	1.9
191.03918	8.1
200.04413	8.8
201.00684	2.5
203.67796	1.0
209.04985	2.0
212.85165	1.8
219.01762	2.4
235.21843	0.8
243.01671	1.3
246.93785	3.7
249.02792	0.9
261.02792	3.3
272.06433	4.1
279.03845	1.7
281.07047	7.8
302.61591	0.9
321.04626	1.4
336.01544	1.3
361.99078	3.0
362.09097	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	362.2326
Annotation	Tricalysiamide C
Peak:m/z	Relative Intensity
60.78710	0.2
67.05505	0.4
69.03436	0.2
69.32672	0.7
69.33099	0.9
70.06597	0.2
71.04962	0.2
79.05482	0.3
81.03419	0.5
81.07036	0.7
82.06577	0.4
91.05476	0.4
93.07033	0.6
95.08622	0.4
105.07033	0.6
107.08610	0.4
110.06040	41.1
112.07619	0.3
112.24165	0.2
117.07037	0.3
119.08571	0.7
121.06493	0.5
121.10156	0.3
124.07597	1.6
129.06985	0.2
131.08546	0.5
133.10175	0.3
139.03886	0.9
143.08565	0.3
145.10083	0.4
147.08061	0.5
147.11739	0.3
150.09152	0.3
155.08685	0.2
157.10130	0.4
159.11780	0.3
161.13264	0.2
169.10078	0.2
170.11743	0.2
170.54137	0.2
171.11710	0.3
173.13272	0.2
182.02817	0.2
183.11722	0.3
185.13336	0.2
194.02768	0.3
197.13297	0.2
224.03741	1.5
235.14999	0.2
284.20148	0.4
362.07144	2.2
362.23245	100.0
363.18948	0.4
363.23483	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.1495
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.6
55.01860	1.2
55.05508	1.5
56.96560	1.4
57.03437	1.0
67.05491	2.0
68.83904	0.8
69.03411	2.7
70.06578	1.9
71.02469	1.1
71.04964	1.3
71.15359	1.4
72.08147	1.7
79.05492	9.5
81.03416	4.8
81.07047	2.9
84.04512	1.2
84.08133	1.3
84.55834	1.0
85.02915	6.4
86.02717	0.9
86.09689	1.2
87.05581	1.7
89.03916	2.1
91.05478	7.2
93.07051	14.0
95.04955	3.9
95.08588	1.4
97.02880	2.4
97.06519	0.9
99.04452	1.2
104.02370	0.9
105.07035	1.1
107.04949	2.2
108.04454	2.9
109.02874	1.3
109.06524	1.3
117.03384	1.6
117.07056	1.2
119.04906	1.4
119.08609	1.9
121.05701	0.8
121.06500	20.4
123.04407	1.8
123.08060	8.1
127.03938	5.2
133.06105	2.5
135.04396	3.4
135.08055	1.5
135.21513	0.9
136.03937	4.7
139.06552	0.9
139.07550	14.3
140.01607	1.9
145.02838	3.0
145.06508	0.9
147.04437	1.9
147.08006	1.3
149.05971	7.3
162.90480	0.8
163.03889	15.8
164.04213	4.2
167.07042	100.0
168.01262	1.0
168.07275	1.0
169.04625	1.0
185.08078	2.2
188.06989	1.0
199.08099	1.4
199.09657	33.1
205.12154	1.1
211.07092	4.5
215.05139	1.0
231.04892	1.4
243.04446	1.2
255.01714	1.4
267.04117	0.9
273.02853	1.5
297.14828	1.3
307.13455	1.2
315.15994	1.1
325.17603	4.2
343.15173	1.0
343.18762	2.3
361.08990	3.3
361.14157	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	360.2745
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	4.7
54.61473	2.8
55.01861	6.3
55.05514	46.2
56.93228	2.9
57.03425	7.2
57.07070	3.0
58.37553	2.7
59.04990	6.5
64.12502	2.7
65.03948	4.2
67.05505	78.7
69.03427	7.4
69.07072	50.2
70.10534	7.5
70.10934	6.3
71.04996	89.5
73.06551	7.4
79.05076	5.5
79.05495	76.8
81.03405	9.6
81.07057	57.2
81.57185	3.0
83.04958	6.9
83.08615	20.6
85.02892	3.8
85.06531	9.4
87.08099	5.4
91.05476	34.8
93.06478	5.3
93.07048	82.9
95.04952	12.9
95.08612	43.1
97.06525	23.6
97.10177	36.3
98.20857	4.4
99.08053	3.4
101.86065	2.9
105.07030	25.7
107.04980	6.6
107.08599	78.1
109.06515	8.0
109.09470	5.5
109.10159	67.0
111.08068	9.0
115.07566	6.5
117.07006	8.0
119.08557	19.6
121.06496	7.7
121.09333	5.5
121.10144	82.1
123.11693	9.8
125.09632	27.2
131.08548	9.4
133.10118	23.3
135.08034	6.0
135.11751	4.5
137.09612	7.4
143.08504	3.5
144.94690	3.6
145.10123	12.8
147.11685	9.9
149.09607	11.5
153.09145	3.1
153.12752	58.0
155.10710	21.8
157.10083	4.4
159.11681	9.7
161.13252	3.5
163.11166	5.3
164.35049	2.9
171.10153	5.4
173.11757	100.0
173.13165	7.0
179.14374	4.5
189.11217	36.5
194.13043	3.8
195.13754	6.8
227.16406	13.4
239.18028	3.5
257.18909	7.4
275.20053	82.0
293.21106	6.8
307.22705	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	360.2745
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	5.5
55.01878	5.4
55.05518	45.1
59.04987	4.3
63.50295	3.3
67.05508	77.7
69.07073	36.8
71.04997	100.0
73.02985	3.6
73.06542	5.9
79.05499	71.4
81.07068	54.0
83.08622	18.1
85.06506	4.4
85.50085	3.7
91.05488	27.1
93.07049	82.9
95.04971	8.7
95.08630	33.3
97.06516	13.9
97.10161	33.1
105.07034	27.2
106.99361	3.7
107.08598	53.8
109.06480	6.4
109.10164	47.7
111.08052	6.0
112.72915	3.3
117.07040	7.3
119.08600	20.1
121.10149	74.9
123.08106	4.7
123.11743	5.9
125.09655	23.5
131.08566	10.3
133.10126	14.7
135.08002	4.3
135.11700	11.6
137.09703	5.1
140.74855	3.3
147.11731	11.1
149.09628	8.4
149.13278	7.3
153.12743	49.2
155.10675	29.2
159.11694	8.4
161.13345	5.0
171.10088	5.6
173.11755	82.7
177.12766	9.0
189.11252	21.0
195.13844	12.6
213.14841	5.8
227.16455	32.7
230.46489	4.0
235.16885	7.3
257.18939	5.6
263.22830	4.2
275.20108	59.5
307.22760	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	360.2382
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	5.8
55.05506	26.9
57.03434	15.3
59.05002	10.4
65.03942	6.9
67.05510	71.8
69.03440	21.3
69.07067	85.6
69.87469	5.8
70.04209	6.6
70.96319	11.8
71.01365	18.5
71.04999	58.6
73.02928	9.0
79.05499	69.3
81.03431	26.4
81.07054	74.8
81.79254	5.1
83.04990	16.0
83.08620	9.2
84.02133	16.1
84.38772	4.7
85.06533	8.3
91.05482	61.7
93.07045	41.1
95.04986	36.1
95.08596	25.6
97.02899	10.1
97.06536	100.0
97.10155	6.7
98.07277	5.2
99.08129	4.8
105.07039	35.1
107.04965	11.3
107.08593	18.7
109.06541	24.6
109.10166	17.6
111.08072	11.7
113.06039	5.1
114.66953	5.2
115.07576	61.6
117.07021	9.7
119.08585	20.0
121.06507	9.2
121.10142	14.0
123.08089	5.0
125.09672	5.4
129.07066	8.9
131.07062	11.5
131.08585	18.0
133.10146	18.5
135.08043	11.2
147.08066	8.1
147.11697	6.8
194.13017	32.6
195.13828	8.5
208.10236	5.9
269.89056	5.9
275.20120	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	360.2382
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	7.7
54.05762	2.7
55.01870	8.3
55.05505	15.5
56.96587	3.5
57.03432	29.0
59.42105	3.1
65.13068	2.7
67.05502	30.4
69.03432	8.0
69.07066	10.0
70.06584	6.2
71.04993	13.0
71.52963	4.1
72.08134	3.6
73.02916	3.2
79.05494	31.1
81.03419	46.4
81.07063	24.3
83.04970	8.3
83.08620	6.2
85.02901	10.0
85.06008	3.0
85.06541	8.4
85.82707	3.8
86.06075	3.4
86.67427	3.2
86.75716	2.9
91.05485	26.8
93.07047	26.9
95.04971	41.9
95.08602	19.9
97.02906	9.0
97.06551	13.0
97.10155	6.9
99.04475	3.5
105.07044	12.4
107.04955	71.0
107.08612	11.5
109.02889	3.5
109.06519	100.0
109.10188	12.7
110.97504	2.9
113.06044	8.5
115.07592	5.5
117.07016	13.2
117.35564	3.1
119.08618	16.3
121.06497	26.1
121.10170	4.4
123.08066	11.4
125.09640	8.1
129.06927	4.4
130.33415	3.8
131.08556	7.4
132.06580	12.7
133.06520	6.2
133.10178	6.9
135.08093	15.3
135.11739	4.9
137.09618	6.9
143.08582	6.9
145.10156	3.9
147.08073	8.5
147.11705	4.3
149.05925	4.8
149.09636	4.6
153.09148	5.6
157.10147	4.2
159.08038	12.4
161.09686	5.3
165.09119	18.9
171.10155	16.7
171.11699	8.9
173.09543	4.6
173.11789	7.0
175.11229	10.2
177.05502	6.8
179.07211	3.1
183.11673	4.1
189.11240	4.7
189.12842	5.2
191.10747	6.7
193.12318	5.1
199.11240	4.6
211.13371	4.1
217.12286	12.9
233.15402	14.7
235.13269	72.9
237.14856	4.5
249.15009	4.4
271.16919	10.2
289.17975	37.2
307.19116	5.9
359.72626	3.8
360.21692	6.2
360.25522	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	360.2171
Annotation	Comosivine
Peak:m/z	Relative Intensity
53.03955	0.3
55.01864	0.4
55.05496	0.7
56.96552	0.6
60.04522	0.3
67.05483	0.7
68.05049	0.3
69.03426	0.8
69.28865	2.3
70.06581	1.2
77.66613	0.2
79.05479	1.0
81.07048	1.0
84.08133	0.3
85.02896	0.8
91.05482	1.8
93.07040	1.4
94.42699	0.3
95.08605	0.4
97.02901	0.8
97.06557	0.3
98.21583	0.5
98.97548	1.0
105.07032	2.2
107.08597	0.9
108.08089	0.4
109.10149	0.5
110.06036	0.6
117.07006	0.7
119.04952	0.3
119.08575	1.9
121.10113	0.3
122.06062	0.4
122.09647	0.5
124.07591	2.2
127.03927	0.6
129.07019	0.6
131.08559	1.3
133.10110	0.9
134.06010	0.7
135.06703	0.4
136.07579	9.0
138.09167	0.4
143.08524	0.6
145.04968	0.3
145.06465	0.8
145.10141	1.6
147.08061	0.4
147.11693	1.9
148.07564	1.2
150.09140	7.8
155.08510	0.5
157.10126	0.6
159.11684	0.9
160.07646	0.4
161.09671	0.6
161.13249	1.6
162.09138	1.2
163.03845	0.6
164.50366	0.3
169.10165	0.6
171.11653	0.8
173.09602	0.4
173.13225	0.7
174.09120	1.2
176.10741	2.0
181.08600	0.3
183.11632	0.3
186.09155	0.3
188.10738	0.4
189.12712	0.7
190.12379	0.3
191.06956	0.3
194.67632	0.3
195.11739	0.4
200.10861	0.4
201.12758	0.6
202.12181	0.4
207.23743	0.3
226.12369	0.3
228.13960	0.3
240.13998	0.4
255.41780	0.3
280.16873	0.3
282.18515	0.4
296.16516	0.4
296.20096	0.9
306.18307	0.3
324.19519	1.7
332.71768	0.6
341.72372	0.4
342.20587	2.5
350.73047	0.5
351.22931	0.4
359.69434	0.5
359.73474	6.0
360.21658	100.0
361.21982	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	360.1441
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68863	0.4
53.03967	0.4
57.03411	1.1
68.99783	1.1
69.44611	2.2
69.45026	1.0
70.06584	2.4
71.01335	0.5
79.05475	0.7
81.07047	0.8
83.01327	0.5
91.05470	1.8
92.13071	0.4
93.07037	0.9
95.04956	2.0
95.08614	0.7
95.25091	0.4
103.05409	0.5
105.07050	1.0
107.04935	1.2
107.08582	0.7
115.05437	0.7
117.07047	2.8
119.04944	2.2
121.06506	3.0
123.04432	20.2
131.23819	0.4
135.04398	1.8
135.05321	0.4
135.08046	2.2
136.07576	2.5
137.05925	0.8
143.14983	0.4
145.06467	2.6
147.04417	7.3
148.05170	0.5
149.06015	3.0
151.03876	2.0
157.06477	1.0
161.05962	2.2
163.03949	1.9
163.07547	12.0
165.05493	4.4
167.07114	0.5
173.05997	6.1
175.07558	1.1
179.07065	5.1
185.05998	0.6
187.07454	0.6
188.07085	0.4
189.05635	0.5
190.08646	9.9
191.07033	57.6
203.06993	2.6
208.09686	100.0
209.10037	1.5
220.09781	1.7
234.99420	0.4
303.43533	0.4
325.10712	5.0
342.13278	4.2
343.11716	2.4
360.14407	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	359.3155
Annotation	AKD 2A
Peak:m/z	Relative Intensity
54.26582	1.2
55.05512	13.4
57.03433	6.1
57.07078	100.0
57.85056	1.1
67.05506	26.9
69.07069	22.9
69.33130	10.5
71.04997	1.3
71.08633	60.6
75.04465	2.6
75.20907	1.2
77.98687	1.2
79.05489	2.2
81.07056	39.2
82.61035	1.1
83.08620	23.9
85.10186	40.5
87.43930	1.2
89.06016	1.8
93.07033	2.8
95.08611	60.2
96.08960	1.2
97.10175	26.3
99.11728	3.4
105.03719	1.7
107.08535	1.3
107.63255	1.2
109.10162	27.2
111.11735	9.7
113.13272	2.6
116.05283	1.5
123.11702	12.4
125.13244	2.4
137.13243	7.8
143.73564	1.4
146.87541	1.2
151.14810	3.2
184.57713	1.4
249.25804	1.9
267.26828	17.7
285.27872	8.2
296.29547	2.3
341.30524	75.2
370.36429	1.3
379.03799	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.3157
Annotation	AKD 2A
Peak:m/z	Relative Intensity
53.03934	1.5
55.05515	17.1
57.03442	8.7
57.07079	100.0
63.83638	1.0
65.03913	1.3
67.05505	29.5
67.49281	1.2
67.73909	1.1
69.07067	19.1
69.75603	6.1
71.08633	76.8
74.97337	1.2
75.04477	3.4
79.05495	3.3
81.06590	2.6
81.07063	41.4
83.08621	24.1
85.09663	2.3
85.10183	46.2
89.06068	1.6
91.05486	1.4
93.07040	3.4
93.74271	1.2
95.08611	67.9
97.10172	27.6
99.11726	3.5
103.07588	1.8
107.08567	2.2
109.10162	27.3
111.11732	13.2
111.35475	1.3
119.08609	1.4
121.10149	1.7
123.11700	15.4
125.13289	2.0
127.14790	1.4
135.11751	1.2
137.05966	3.6
137.13266	7.8
141.16367	1.5
151.14832	2.9
162.02069	1.3
165.16434	1.2
211.02663	2.4
227.02214	2.0
229.00102	1.9
234.69299	1.1
249.25763	4.2
267.26840	18.6
285.27917	8.6
326.30685	1.6
341.30521	91.5
342.30991	1.5
354.49686	1.3
359.37000	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	359.1812
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	4.4
55.05501	3.1
56.96563	3.8
57.03429	2.3
59.04994	1.3
61.02919	2.4
67.05504	7.9
69.03449	3.4
69.07056	3.1
69.93482	6.8
70.02936	4.8
70.06596	25.8
71.05000	18.5
72.08164	1.5
79.05476	5.9
80.57243	1.5
81.03403	3.3
81.07047	6.1
82.99396	1.3
83.04962	2.4
83.07363	3.1
84.08121	4.9
85.02899	4.2
85.06531	2.0
85.87123	1.3
91.05469	4.7
93.07036	3.8
94.06583	8.3
95.04970	2.8
95.07350	12.9
95.08600	6.0
96.04485	1.6
96.06369	1.4
96.08118	4.4
97.02890	3.9
97.06533	2.4
97.08920	2.9
98.06045	2.4
98.21481	2.9
98.97562	2.8
100.07620	4.9
105.07021	5.5
106.06549	8.9
106.07158	1.4
107.08581	4.7
109.06547	1.8
109.10196	3.2
110.09700	10.5
111.55266	1.3
113.08411	9.6
119.08566	3.3
121.06476	2.2
121.10110	1.8
122.06050	8.3
123.04384	2.4
123.06828	17.9
123.08121	1.7
124.07599	100.0
131.04922	2.5
131.08533	2.4
133.10159	1.7
134.06032	1.7
135.11667	2.5
137.06004	12.1
137.09583	1.5
139.03886	3.3
139.09961	2.3
140.07072	42.6
143.08533	2.1
145.06349	1.6
145.10097	2.6
149.05992	1.5
151.02371	1.3
151.07567	1.8
152.07076	58.4
153.07903	1.8
157.10144	1.7
159.11731	1.5
163.03903	3.9
166.12315	3.6
167.13104	2.6
170.08122	60.5
171.11697	1.7
201.12631	1.6
208.13405	2.3
229.07419	1.7
247.08643	1.7
250.14346	2.0
252.15941	2.1
255.08995	2.1
267.09094	1.9
267.18359	3.2
268.09479	2.2
271.08777	1.6
285.10040	1.9
295.17767	5.6
341.17065	4.0
359.18195	1.9
359.21973	5.1
359.26083	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1703
Annotation	Grevilloside B
Peak:m/z	Relative Intensity
53.03939	1.3
55.01882	0.9
55.05508	0.8
57.03424	1.9
57.26348	0.5
58.02427	0.5
59.04983	0.9
60.04500	0.9
61.02943	2.5
67.05498	1.6
67.81369	0.5
69.03434	6.9
69.07068	0.6
70.02954	0.5
70.06606	6.2
70.39077	0.5
70.39413	1.5
71.04993	0.7
71.06915	0.5
71.82049	0.4
72.08141	0.8
73.02907	1.4
79.05486	1.6
80.01989	0.4
81.03409	3.6
81.07043	1.7
84.08141	1.0
85.02909	25.6
86.09705	2.6
87.03815	0.4
87.04452	0.9
89.06042	0.6
91.03944	1.0
91.05473	5.0
93.07053	6.9
95.04984	3.3
95.08609	0.7
97.02894	5.9
97.06496	0.7
98.20818	0.5
99.04443	1.6
105.07038	6.3
107.08600	19.0
109.02885	2.6
109.06487	1.3
109.10159	1.5
110.06041	0.7
115.05447	0.8
116.07086	0.6
117.07007	0.8
119.04944	1.6
119.08571	2.9
119.82084	0.4
121.06514	1.9
123.04462	2.9
123.11713	0.5
127.03915	4.3
129.10220	1.2
131.04909	0.8
131.08530	0.6
133.10139	19.2
135.08083	0.9
135.11696	20.0
137.05980	3.4
137.09602	1.5
139.07430	0.5
145.04976	3.0
146.07275	0.5
147.04463	1.4
147.08128	0.4
151.11185	1.3
157.09711	0.6
161.06110	0.7
161.09627	10.2
163.06143	0.5
163.07549	1.6
167.07051	0.9
173.05942	0.9
174.66528	0.4
178.05865	0.5
179.10678	34.1
190.08635	1.1
191.07056	3.8
192.07382	1.4
197.11737	100.0
198.12077	0.9
208.09692	8.5
222.11290	0.5
315.19189	0.6
342.10446	0.7
359.13367	2.8
359.16959	0.5
360.14279	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1198
Annotation	Unknow
Peak:m/z	Relative Intensity
50.08092	0.3
56.96567	0.8
57.03439	0.8
69.03421	0.8
70.06602	0.4
71.25351	0.5
73.02911	0.6
75.04488	1.4
81.03410	0.4
85.02914	2.3
86.09698	0.5
89.03918	1.2
94.46568	0.3
97.02901	1.4
98.97596	4.3
105.60896	0.3
107.04990	0.4
110.03524	6.0
111.04484	0.3
111.05293	0.4
116.98631	1.1
117.03384	1.1
124.05080	1.2
124.99181	0.3
127.04002	0.4
128.04524	0.6
133.04964	0.6
135.04408	1.8
136.01430	1.1
137.05998	2.8
143.00133	0.4
145.02858	1.0
151.03839	0.5
152.04591	1.5
153.04086	52.0
154.02496	7.5
158.99660	1.1
163.03909	9.6
164.04292	0.8
166.05002	0.3
166.06172	2.3
167.05641	3.8
177.00751	0.7
177.04068	0.6
182.05157	0.5
183.03319	0.6
195.05148	23.3
206.06242	0.6
209.06700	6.0
219.01834	0.6
219.05260	0.4
219.12645	0.3
227.07765	100.0
228.08075	0.5
237.02829	0.5
243.05409	0.7
269.08890	0.4
279.03864	0.4
279.07513	0.6
293.08731	0.7
359.12314	2.9
363.09595	1.1
365.05609	0.4
367.03812	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	358.2951
Annotation	Unknow
Peak:m/z	Relative Intensity
53.46999	29.0
55.05508	95.1
56.96557	40.3
57.03757	29.7
67.05503	100.0
69.07062	67.7
71.52837	48.1
79.05492	57.5
81.07049	62.5
85.02859	45.1
91.05476	71.5
93.07014	72.3
95.05000	41.7
95.08635	41.4
97.06525	52.0
98.97572	36.4
105.07038	56.1
107.08566	35.9
119.08540	41.5
121.06506	41.7
121.10146	62.1
133.10115	34.6
137.05968	94.1
147.07977	35.7
147.11807	33.7
174.54100	32.7
180.58170	29.4
206.08136	75.2
276.92429	33.6
288.92154	35.9
291.19522	42.8
335.19736	41.5
358.16632	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	358.2951
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05527	15.7
56.96565	14.5
67.05505	24.4
67.16625	7.3
69.07072	11.0
70.89223	7.9
71.52703	7.8
77.10187	7.4
81.07059	24.6
84.08123	7.6
85.02898	9.5
85.35963	7.6
87.04476	100.0
91.05472	13.5
93.07035	12.1
95.08624	12.3
98.97581	11.8
105.07050	11.4
107.08576	9.1
121.10194	8.3
133.10126	8.1
137.05992	14.9
151.07547	8.5
178.08565	8.2
206.08121	14.4
209.34413	7.5
267.09061	8.9
298.27429	12.9
317.19638	8.8
334.65778	10.4
335.20734	64.6
353.21683	16.5
358.16360	26.0
358.20566	57.4
358.29446	45.1
359.11276	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	358.207
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96564	1.1
59.05013	8.3
69.58173	1.0
69.58527	6.7
70.06585	4.4
70.06948	1.2
71.36781	1.0
77.06081	1.6
82.12723	1.1
84.04514	1.5
86.09705	2.9
87.04472	33.7
89.06035	68.0
98.97559	1.9
100.63282	1.1
103.03947	100.0
103.07576	4.8
107.07015	1.4
117.03353	1.3
119.07030	3.0
121.06496	1.2
121.08581	2.0
124.03928	1.5
130.08627	1.2
131.07022	9.6
133.08604	41.6
147.04398	4.7
147.06540	11.4
148.70065	1.1
163.03918	6.3
163.09628	2.7
175.09703	6.0
177.11258	10.0
186.07304	1.5
191.09088	5.0
196.04333	1.9
207.12271	6.7
219.12286	2.0
221.13942	2.7
235.11745	10.3
239.14764	1.6
244.06195	2.1
262.07126	4.8
268.08084	1.2
273.04037	1.6
274.04236	4.3
283.17499	1.5
293.09079	1.4
295.17599	6.9
296.32568	1.1
310.14523	1.0
313.18539	3.0
323.16977	3.8
335.10181	1.3
341.18066	36.1
347.16360	0.9
358.10150	6.7
358.14041	1.0
358.20193	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	358.2587
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	2.8
55.01863	2.3
55.05499	7.2
56.96558	4.1
57.03431	7.8
66.66956	1.7
67.05508	19.3
69.03428	3.2
69.07069	26.5
69.26128	18.3
71.04993	10.7
73.02935	3.0
78.44277	1.8
79.05499	22.0
81.03422	18.0
81.07060	19.8
83.04958	5.0
83.08615	4.2
85.06530	2.6
91.05477	17.5
93.07040	20.6
94.77960	1.8
95.05002	12.8
95.08618	10.2
97.06536	100.0
97.10185	2.2
99.08099	3.2
105.07013	10.3
107.04930	2.6
107.08585	10.0
109.06522	6.7
109.10138	3.9
111.08076	2.7
115.07572	14.1
117.07037	7.2
119.08570	6.4
121.06489	5.7
121.10127	4.7
123.08043	3.5
129.06999	4.1
131.08572	8.7
133.06490	1.9
133.10101	9.0
135.08080	3.5
135.11676	5.7
137.09610	2.1
145.10120	4.9
149.09662	2.8
149.13353	4.5
151.11198	2.6
155.08595	2.3
156.95325	2.1
157.10133	3.5
159.11699	7.0
161.09677	2.2
169.10017	2.1
171.11728	2.1
175.11174	2.5
177.12776	4.6
178.08649	2.1
183.11725	3.5
185.13264	2.2
199.14888	2.6
201.12726	2.6
206.08272	2.7
209.02013	1.9
217.15926	2.8
223.13286	2.8
237.14789	2.4
267.32660	2.1
273.18475	6.2
279.46902	1.9
280.17731	2.3
285.10324	2.0
289.09506	2.2
291.19681	3.3
298.18826	8.7
305.54626	2.3
358.16293	2.9
358.20328	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	358.0951
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02369	0.3
53.03944	0.5
55.05507	0.5
55.25194	0.2
55.74181	0.2
56.96572	0.2
57.07074	0.2
63.34679	0.2
67.05495	0.3
69.07072	0.5
70.06602	0.5
70.07420	0.2
70.63589	0.6
71.53275	0.2
73.14571	0.2
77.03907	0.4
79.40379	0.2
81.07047	0.2
83.29946	0.2
87.04455	0.5
88.07632	0.8
91.58852	0.2
95.04323	0.2
95.04937	0.4
95.08624	0.4
99.91313	0.2
104.04987	1.7
106.08667	0.3
107.08577	0.3
119.08593	0.3
132.04453	100.0
133.04790	0.6
147.11725	0.2
150.05519	0.3
164.07069	37.6
165.07486	0.4
173.07123	0.3
195.03189	1.6
204.36432	0.2
206.08081	0.5
207.03139	0.4
249.27299	0.2
300.49896	0.2
317.17841	0.4
326.06931	3.6
335.19113	0.7
340.34598	0.2
357.35565	4.0
358.36243	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.3
Annotation	MG(18:1(9Z)/0:0/0:0)[rac]
Peak:m/z	Relative Intensity
55.01826	2.5
55.05515	58.9
57.03444	12.1
57.07077	35.8
57.42804	1.9
67.05506	70.7
68.87704	2.1
69.07070	100.0
71.04993	6.5
71.08625	25.2
75.04485	3.2
79.05067	3.8
79.05497	41.5
81.07059	90.1
83.04992	3.0
83.08624	70.1
83.27121	2.1
85.06561	2.5
85.10178	7.2
85.70712	2.1
88.07635	7.0
91.05482	5.0
93.06490	2.9
93.07050	52.1
95.08611	84.6
97.06532	21.2
97.10177	46.3
105.06973	2.4
106.08639	3.3
107.08593	44.3
109.10153	46.9
111.08092	12.5
111.11720	13.7
113.09657	2.6
121.10149	84.4
123.11719	16.3
125.09607	6.5
125.13290	3.7
135.10693	4.1
135.11696	60.7
137.13252	6.4
139.11165	5.2
141.12767	2.6
143.10677	2.4
149.13257	26.3
151.14830	8.1
153.12738	5.2
163.14796	11.1
165.16379	9.5
167.14322	5.3
177.16374	6.7
181.15894	2.2
184.70291	2.4
185.15474	2.7
185.19006	2.3
191.18015	5.2
195.17400	2.3
205.19507	2.4
247.24226	70.9
265.25281	87.4
270.05609	2.4
283.26266	6.4
339.28955	66.7
357.30151	8.5
357.35535	42.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.3
Annotation	MG(18:1(9Z)/0:0/0:0)[rac]
Peak:m/z	Relative Intensity
53.03941	3.2
55.01872	3.1
55.05514	60.8
57.03436	12.9
57.07080	40.6
67.05509	76.5
69.07071	98.4
71.04990	3.6
71.08279	2.6
71.08635	23.7
72.68689	1.6
73.06548	2.2
75.04482	3.1
79.05071	2.8
79.05499	42.6
81.07063	91.0
83.04976	3.9
83.08621	69.9
85.06540	4.5
85.10175	12.4
91.05485	8.5
93.07046	62.8
95.08613	85.0
97.06537	24.0
97.10174	44.9
99.08092	4.3
103.03926	2.7
105.07023	5.0
107.08598	41.6
109.10156	47.6
111.08096	12.3
111.11730	15.6
113.09651	1.8
119.08543	1.8
121.10148	92.7
121.56033	1.9
123.11720	18.8
125.09610	5.0
125.13268	3.1
133.10001	1.6
135.11699	68.3
137.13239	8.6
139.11183	7.8
139.14804	1.9
143.14304	2.3
145.10092	2.0
149.13271	30.2
151.14793	11.0
153.12759	5.4
157.12257	1.5
163.14842	14.4
165.16428	10.8
165.88464	1.5
167.14326	4.0
169.15959	1.6
177.16374	6.0
179.17746	1.8
181.15875	3.0
191.17946	6.4
195.17538	3.2
199.16840	1.9
205.19470	2.6
207.26276	2.0
209.19115	2.7
215.93535	1.6
229.26820	1.6
247.24216	80.3
265.25287	100.0
283.26291	7.9
339.28946	73.5
357.25699	11.3
357.30020	8.5
357.35574	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	357.1885
Annotation	Unknow
Peak:m/z	Relative Intensity
50.82707	0.3
55.23706	0.3
56.96553	0.6
67.05501	1.2
69.03424	0.6
69.07085	0.4
70.06573	0.4
71.04993	0.5
71.52779	0.6
79.05498	1.4
81.03412	0.5
81.07035	1.8
83.06078	0.5
84.04495	2.4
85.02930	0.5
85.06534	0.5
86.23922	0.3
91.05473	1.2
93.07036	1.5
95.04965	0.6
95.08627	0.9
97.02880	0.9
105.07018	1.1
107.04949	0.5
107.08591	1.3
108.08972	0.5
109.10149	0.9
111.08049	0.5
117.03376	0.4
117.05734	0.5
119.08601	0.7
121.06464	1.0
121.10176	0.9
123.04406	0.8
130.04993	1.6
130.05925	0.4
133.10056	0.4
135.04433	0.5
135.08070	0.6
137.05963	2.5
139.03931	0.9
145.02872	1.3
145.10045	0.9
146.10493	0.6
147.11673	0.6
148.06079	0.7
149.05934	0.5
149.09634	0.6
150.01012	0.4
151.03838	0.6
151.07521	0.5
153.02148	2.1
159.11752	0.4
163.03940	0.9
163.11169	0.8
164.11497	0.5
165.05554	0.4
167.03687	0.6
167.06985	0.8
177.05475	2.5
191.03465	0.7
191.10696	0.5
192.10948	0.6
195.03209	16.5
198.19231	0.4
215.07021	0.5
215.80333	0.4
219.07909	0.5
273.03860	0.9
293.15707	0.5
297.03970	1.1
307.09775	0.5
311.16852	0.8
313.10721	0.4
327.12637	0.5
357.18820	100.0
358.19501	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1334
Annotation	Melianoninol
Peak:m/z	Relative Intensity
50.48386	2.4
51.73727	2.6
53.03971	3.2
55.01869	19.7
55.05526	4.7
56.96564	7.2
57.03430	5.0
61.02929	3.9
65.03925	6.2
66.09663	2.5
67.05502	7.6
69.03426	7.1
69.07072	3.8
71.52425	3.5
73.37429	2.4
79.05499	10.6
81.03418	10.6
81.07070	13.3
83.04980	3.2
85.02908	8.6
91.05485	7.2
93.03418	5.4
93.07032	10.9
94.04198	6.7
95.04961	3.8
95.08599	4.8
97.02885	5.2
97.06540	4.1
103.05451	3.4
105.07021	11.6
107.04992	4.7
107.08599	6.7
109.06519	13.6
109.10180	6.2
111.04442	11.2
112.84177	2.4
115.05470	7.2
117.03439	3.6
117.07061	3.0
119.04948	3.3
119.08566	5.6
121.06504	4.3
122.03674	17.0
123.04435	2.9
127.03896	5.5
128.06236	4.1
129.07004	4.9
131.04942	7.2
133.06512	7.7
137.05988	86.6
137.09599	4.2
139.03908	77.6
143.04958	8.9
143.08569	5.3
144.05710	3.3
145.02853	4.5
146.03598	5.4
147.04440	5.4
149.05998	7.2
149.09669	3.3
149.42406	2.8
151.03906	4.8
151.05038	2.9
153.05493	4.4
155.04913	4.4
157.10156	3.3
160.05240	4.0
161.05995	27.8
162.06754	6.2
163.03891	7.2
163.07516	3.0
165.05515	38.6
165.06892	5.4
167.08499	3.5
167.28967	2.4
169.06584	2.8
172.05244	2.9
175.07623	4.6
177.05499	18.9
178.07768	3.7
179.08600	5.0
183.04216	3.3
185.09583	3.8
187.07616	8.3
189.05507	4.8
189.07161	6.5
189.09135	31.1
190.07777	13.4
191.07101	3.0
191.08618	13.1
191.10683	2.4
195.06439	3.6
195.08105	4.2
201.09190	3.7
202.07965	4.3
203.07063	5.7
205.06487	4.9
206.07254	3.8
207.08049	10.2
208.08961	4.5
213.05510	3.0
213.09103	8.3
215.07089	11.7
217.06635	4.3
218.07211	19.2
219.08055	28.1
221.06007	9.4
223.07681	5.3
229.06462	6.4
231.10205	5.3
234.06783	11.6
235.07655	19.7
236.08325	10.1
237.09285	3.1
243.08617	3.0
245.06085	3.8
246.06773	21.4
247.07547	39.2
248.08395	6.1
249.05388	3.5
249.09099	8.8
250.06210	3.1
250.09850	3.3
251.07098	5.1
251.10718	2.7
257.06085	5.8
258.06830	3.0
259.08261	5.3
261.09109	38.6
262.06305	4.6
263.07123	15.4
264.07758	17.8
265.08630	7.3
267.09067	4.2
269.12244	4.5
273.03922	4.5
274.06302	12.6
275.07074	14.8
277.08636	26.4
278.09265	9.0
279.07062	3.8
279.10132	19.1
280.06946	3.1
285.10107	5.2
289.08615	60.8
290.09348	7.1
291.06732	5.7
292.07312	7.8
293.08087	3.4
294.08908	7.4
295.09625	6.5
306.08914	14.2
307.09637	100.0
308.10349	3.7
309.11151	21.3
311.12848	3.5
321.11230	87.4
322.11658	3.4
327.12280	25.2
339.12253	59.1
348.15204	4.7
357.13242	11.1
357.24536	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	356.2795
Annotation	Unknow
Peak:m/z	Relative Intensity
50.92478	23.5
55.05513	31.5
56.96561	67.2
61.02905	61.2
67.05492	72.5
69.07028	27.6
73.02917	24.0
75.86362	25.7
79.05476	40.7
81.03410	100.0
81.07045	59.7
83.08628	41.4
85.02913	42.2
90.01784	22.3
91.03953	27.4
91.05446	48.5
93.07034	72.4
97.02862	35.1
105.07032	49.6
107.04973	30.7
107.08574	25.4
109.10160	41.7
119.08584	44.4
121.10088	37.1
133.10139	29.0
147.11647	34.2
161.02933	29.2
163.11082	37.4
164.04260	45.4
175.11099	39.1
181.95898	23.3
189.32932	27.7
211.13348	30.6
223.43370	21.5
243.08949	60.1
251.11304	44.1
255.09081	39.1
267.16205	30.8
269.12372	96.8
273.10159	30.1
281.10693	45.9
285.10141	49.3
287.11716	92.0
297.18362	30.8
333.19211	79.7
356.18875	88.0
356.26498	35.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	356.2798
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	15.6
56.23057	10.3
56.96556	31.8
57.03416	13.3
61.02929	20.9
64.53217	9.8
66.58835	14.4
67.05507	33.5
69.03435	17.5
69.07076	13.2
71.52373	16.9
73.02926	14.7
79.05486	29.4
80.10349	10.1
81.03426	23.3
81.07043	27.2
82.06396	8.8
83.05006	11.9
83.08644	14.3
85.02898	21.3
91.05476	17.2
93.07033	17.2
95.04981	17.9
95.08609	27.4
97.02872	16.3
98.97607	16.0
105.07049	13.1
107.04926	11.2
107.08598	18.4
109.10149	23.0
117.03365	16.5
119.08514	14.0
125.23781	11.5
128.95184	11.7
131.08560	17.6
133.10161	15.3
135.04456	14.2
143.08672	13.8
145.02817	15.9
145.10130	22.2
147.41478	9.5
157.21046	11.7
163.03891	100.0
164.04170	23.6
181.05016	14.1
193.12206	15.6
247.99904	11.8
267.09042	19.6
285.10159	16.8
293.21320	20.2
315.18149	14.2
333.19141	27.3
338.14670	15.0
351.20291	15.9
356.18826	38.7
356.25876	21.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	356.2795
Annotation	Unknow
Peak:m/z	Relative Intensity
54.54334	16.8
55.05504	27.0
56.96568	55.7
61.02929	38.7
63.89145	17.8
67.05503	59.8
68.14517	17.0
68.69471	15.1
69.03406	15.6
69.07074	26.3
71.52550	22.4
73.02901	22.0
78.64748	17.5
79.05505	83.0
81.03441	25.8
81.07059	57.1
83.08617	21.1
85.02916	32.8
91.03937	21.4
91.05482	51.2
93.07047	52.5
95.04976	31.7
95.08585	17.9
97.02895	52.8
98.97572	32.5
99.67262	19.5
105.07021	30.2
107.08601	31.0
117.07028	19.0
119.08567	28.6
133.10138	17.4
135.04410	19.3
137.09612	22.9
138.18153	16.9
147.11708	28.0
163.03944	62.7
164.04259	37.0
185.04942	23.8
201.49989	16.1
207.13747	22.5
243.09027	24.4
257.06940	37.7
267.09122	65.1
268.09503	38.2
275.19946	26.8
285.10175	90.0
286.10419	27.5
315.17987	31.1
333.19275	100.0
351.19897	18.6
356.14975	20.9
356.18829	63.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	356.2797
Annotation	Unknow
Peak:m/z	Relative Intensity
52.77792	20.8
55.01870	35.4
55.05505	23.7
56.43937	25.5
56.96558	100.0
57.03426	50.5
61.02946	49.4
61.90981	23.1
67.05489	89.5
69.03429	39.6
69.07040	34.6
71.52451	34.6
73.02919	23.3
79.05486	76.5
81.03416	80.5
81.07052	85.0
83.08600	34.1
84.96639	22.0
85.02901	52.2
91.03923	27.1
91.05477	54.1
93.07029	72.4
94.32681	24.9
94.40207	22.4
95.04967	25.2
95.08599	44.8
95.11974	27.2
97.02877	32.3
98.97560	29.9
105.07022	58.3
107.08573	25.0
110.97631	38.4
133.10164	35.8
144.67192	25.1
163.03952	57.3
164.04286	53.6
164.11642	22.1
175.14619	24.5
177.99837	25.5
193.12320	31.4
217.07466	26.7
243.09021	52.4
281.10468	46.2
282.11032	28.1
299.11661	33.0
333.19391	48.5
350.12079	30.4
356.26123	41.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	356.2431
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	13.9
55.05500	20.3
56.96556	14.8
57.03434	18.2
67.05181	6.9
67.05508	83.5
69.03404	9.7
69.07053	22.7
69.78589	32.4
73.67841	5.6
79.05486	52.7
81.03412	8.3
81.07068	67.1
82.07354	6.6
83.04967	22.8
83.08571	4.8
85.06535	14.7
88.56839	5.2
91.05481	60.1
91.45148	4.8
93.07050	56.2
95.04954	12.7
95.08595	23.1
97.06532	100.0
98.97652	5.3
105.07043	70.8
107.04951	9.6
107.08599	45.2
109.06514	16.7
109.10159	70.4
110.97606	6.3
111.08068	17.3
113.06062	5.7
117.07073	5.7
119.08577	12.4
121.06493	10.4
121.10201	5.5
123.08096	7.9
123.11669	13.0
131.08569	17.6
133.10146	99.2
134.93449	6.2
135.11664	6.6
149.09618	13.9
151.11180	70.8
159.11775	7.8
161.09683	7.9
164.04292	6.9
173.13245	5.4
177.09105	20.0
179.10608	9.0
183.13770	13.2
199.11276	6.1
233.15564	6.7
269.10669	14.4
271.16824	6.0
289.17917	17.7
315.16278	5.7
321.20547	18.2
333.17337	11.5
356.16226	13.7
356.34470	8.6
357.20145	35.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.2843
Annotation	2-Linoleoyl Glycerol
Peak:m/z	Relative Intensity
50.10807	1.5
53.03942	3.6
55.05513	27.8
56.96557	1.9
57.03426	6.8
57.07083	13.7
57.08624	1.5
64.84444	1.6
65.03945	4.5
67.05508	78.3
68.86997	1.6
69.03422	1.9
69.07075	42.1
69.85470	8.9
70.06577	2.1
71.04978	2.1
71.08628	6.4
74.48875	1.6
79.05492	26.8
81.07062	100.0
83.04999	1.8
83.08620	28.0
85.06513	2.4
85.10158	5.3
91.05483	21.4
93.07050	33.5
95.04959	1.9
95.08611	96.9
97.06574	9.3
97.10173	22.1
99.08080	3.8
103.76556	1.9
105.07039	14.8
107.08603	25.2
109.06500	2.2
109.10161	44.7
111.08057	4.6
111.11700	7.7
113.09648	3.8
119.08585	15.7
121.10144	28.9
123.08079	2.4
123.11710	24.9
125.13299	3.4
129.05499	2.1
131.08533	2.0
133.10139	22.4
135.04436	1.7
135.11674	17.6
137.05983	3.3
137.09622	3.8
137.13290	8.0
146.07257	2.7
147.11699	14.9
149.13234	14.5
151.07556	2.8
151.11198	2.1
151.14830	5.3
155.14281	2.1
161.13274	18.6
163.03937	10.7
163.14871	13.5
165.12807	2.3
165.16373	7.7
167.14366	2.5
169.60321	1.9
175.14841	10.2
177.09111	2.3
177.16408	3.1
179.17967	6.3
189.16408	5.4
193.15799	3.4
201.70889	1.7
203.17966	2.9
210.26289	1.6
229.07428	2.7
245.22662	60.2
247.08690	2.4
247.24261	3.4
263.23724	67.2
265.25247	3.0
305.11710	1.8
337.27359	37.3
355.15445	3.9
355.28928	9.8
356.35190	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	355.2842
Annotation	2-Linoleoyl Glycerol
Peak:m/z	Relative Intensity
50.84741	1.2
50.92160	1.3
53.03938	2.5
55.01882	1.8
55.05265	2.4
55.05513	28.6
56.96569	3.1
57.03442	9.2
57.07079	12.8
63.76954	1.3
65.03946	3.2
65.47377	1.3
67.05507	78.1
69.07069	40.1
69.42865	10.3
70.06601	2.2
71.04999	4.0
71.08628	5.9
73.02899	1.2
76.46525	1.1
76.47552	1.3
79.05057	2.6
79.05492	25.8
81.07059	100.0
82.93559	1.3
83.04987	3.2
83.08620	25.6
85.06543	3.4
85.10185	2.3
88.07614	3.2
91.05467	18.6
93.07050	33.1
95.04959	2.9
95.08608	86.7
97.06534	8.6
97.10175	16.3
99.08085	4.0
105.07029	14.6
107.08585	23.2
109.06499	2.0
109.10154	45.1
110.97629	1.6
111.08081	4.9
111.11737	5.0
113.09616	1.5
115.07592	1.3
119.08572	17.0
121.06524	1.7
121.10144	27.7
123.08118	2.0
123.11707	21.8
125.09613	2.7
125.13250	2.5
127.11192	1.5
129.05487	1.5
131.08565	3.5
133.10126	18.8
135.04465	3.0
135.11711	16.9
137.05997	3.8
137.09666	2.9
137.13257	10.1
141.12657	3.1
145.02940	1.7
145.10043	2.7
147.11702	14.0
149.06032	2.3
149.09633	1.7
149.13280	13.7
151.07516	2.1
151.14799	9.9
161.13269	16.0
162.94626	1.4
163.03902	12.7
163.14828	11.5
165.16400	7.7
167.14304	1.7
175.14853	12.3
177.09108	1.9
179.14404	2.3
179.17926	6.6
181.15863	1.6
189.16422	7.1
245.22659	48.5
247.24243	2.6
263.23718	59.0
265.16537	1.4
265.25284	1.7
270.08893	1.5
279.51691	1.4
305.11819	3.1
315.16348	3.1
323.65500	1.4
333.17416	5.3
337.14200	2.0
337.27374	41.0
355.15665	5.2
355.24384	3.0
355.28522	6.1
355.34030	23.0
356.18741	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.2839
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05517	13.1
57.03432	4.2
57.07074	6.3
67.05507	43.2
68.68504	1.5
69.07072	18.3
69.86208	1.6
71.04992	1.7
71.08633	4.9
79.05502	16.3
81.07056	56.6
83.04954	1.9
83.08624	14.6
91.05469	11.9
93.07053	18.7
95.08610	51.3
97.06532	5.6
97.10182	11.9
105.07034	11.8
107.08605	13.2
108.34764	1.7
109.10159	27.4
111.08070	4.8
111.11701	4.2
117.06955	1.6
119.08571	12.7
121.10137	19.1
123.11722	12.3
125.09641	1.6
129.06964	1.9
133.10129	14.1
135.04378	1.9
135.11734	9.9
137.09676	2.5
137.13254	7.2
147.11742	8.2
149.13261	9.1
151.11128	1.8
151.14835	5.5
161.13249	10.0
163.03839	10.2
163.14836	8.5
165.16415	6.2
175.14856	6.8
177.16321	1.8
179.18004	5.9
189.16452	3.7
245.22675	36.9
263.23682	42.2
323.57553	1.9
337.27362	25.3
355.24680	6.8
355.28253	100.0
372.25970	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.2841
Annotation	MG(18:2(9Z,12Z)/0:0/0:0)[rac]
Peak:m/z	Relative Intensity
55.05273	2.3
55.05515	28.4
57.03432	5.9
57.07065	11.0
65.03941	1.9
67.05508	77.7
69.06728	3.0
69.07069	31.1
69.81797	8.8
71.04993	3.1
71.08624	4.6
79.05499	22.3
81.07059	100.0
83.04966	2.7
83.08620	25.7
85.06533	2.6
85.10185	3.8
91.05485	19.9
93.07043	27.3
95.08609	72.6
97.06538	7.1
97.10182	16.4
98.21496	2.4
99.08109	2.7
105.07037	14.1
107.08595	18.0
109.06554	1.9
109.10159	38.5
111.08070	3.8
111.11699	4.3
112.49408	1.8
113.09643	1.9
117.03333	1.7
119.08581	15.5
121.10143	27.6
123.11710	19.1
125.09592	2.4
125.13243	2.4
129.05453	2.5
129.07019	2.2
129.61897	1.7
133.10123	17.9
135.11705	12.4
137.09596	1.7
137.13243	6.1
141.12753	3.7
147.11688	13.8
149.13251	14.1
151.14804	4.7
161.13225	12.3
163.03915	2.5
163.14832	11.1
165.16386	7.1
175.14845	10.3
179.17921	4.2
180.03157	1.8
181.15817	2.3
189.16393	4.2
203.17847	1.9
207.17535	1.9
217.19521	2.2
222.37349	1.5
245.22653	37.7
263.23709	46.5
305.11670	1.7
337.27472	30.8
355.28336	41.5
356.28235	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1729
Annotation	His Ala Gln
Peak:m/z	Relative Intensity
53.70979	0.3
55.01873	0.5
55.05498	1.0
56.96559	0.7
57.03422	0.3
57.07065	0.5
65.03928	0.3
67.05507	2.7
69.03422	1.1
69.07060	1.0
70.06584	0.3
71.05006	0.4
71.52678	0.5
72.08140	1.0
74.11997	0.3
79.05507	1.8
81.03422	0.7
81.06594	0.4
81.07062	7.5
83.04941	0.5
83.08597	0.5
85.02896	0.6
89.03923	1.3
89.44019	0.3
91.05476	1.4
93.07041	1.9
95.04957	1.2
95.08621	2.6
97.02901	1.7
97.06512	0.9
98.94051	0.3
98.97579	1.2
100.11195	0.4
103.05449	0.4
105.07041	1.6
107.04952	0.5
107.08592	1.3
109.06506	1.0
109.10152	2.0
110.97579	0.4
111.08094	0.4
116.98588	0.5
117.03382	2.0
117.07017	0.7
119.04886	0.4
119.08570	2.1
121.06496	0.5
121.10143	1.6
123.04434	0.6
123.08035	0.4
123.11707	9.5
129.07056	0.4
131.04994	0.4
131.08585	0.4
133.10138	1.3
135.04445	2.6
135.08078	0.9
135.11688	0.7
137.05989	2.2
137.09576	0.6
145.02870	2.2
145.06496	0.5
145.10143	0.5
147.04341	0.6
147.11673	1.0
149.05934	0.5
149.09686	0.5
149.13292	0.4
151.03899	1.9
151.07524	0.5
157.10141	0.7
159.11708	0.7
161.01328	0.3
161.06042	0.7
161.09599	0.6
161.13342	0.3
163.03909	15.3
163.07585	0.6
164.04192	0.5
167.07060	0.6
171.11807	0.5
173.05949	0.6
173.13229	0.6
175.07578	0.7
175.11095	0.7
175.14850	0.5
177.00713	0.5
177.05473	1.3
177.09073	0.5
177.12735	0.4
185.05945	0.6
193.05086	0.5
193.08665	0.7
193.12128	0.8
201.05511	2.4
203.03505	0.6
203.05273	2.2
203.14311	1.0
206.07172	0.4
213.05490	0.4
213.16359	0.3
217.15887	1.6
218.07251	0.3
219.01831	0.4
221.06081	0.4
225.09117	0.4
234.06775	0.9
235.07527	0.6
237.05612	0.4
243.01770	0.6
249.02718	0.4
249.09303	0.4
256.17371	0.4
262.06259	0.8
263.07098	0.8
265.08603	0.4
277.08646	1.0
279.10086	0.3
281.07892	0.3
290.05823	0.5
291.03937	0.5
291.10071	0.5
295.09814	0.4
305.08163	0.9
305.11334	0.5
307.09531	0.5
309.11407	0.4
311.12872	0.6
319.22739	1.2
323.12741	0.4
325.10739	0.9
327.24863	0.7
337.10666	1.4
337.14355	0.7
337.23788	6.4
355.17297	100.0
355.24741	10.0
356.17609	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1026
Annotation	4-Caffeoylquinic acid
Peak:m/z	Relative Intensity
55.05506	0.6
56.96583	0.4
60.63666	0.4
67.05491	1.0
69.03413	0.7
69.07059	0.4
70.06576	0.4
72.08147	1.3
79.05481	2.0
81.03423	0.7
81.07059	1.2
83.04980	0.8
84.04512	0.6
84.08150	0.5
85.02885	0.5
89.03917	5.6
91.05479	1.5
93.07046	1.5
95.04956	1.1
95.08602	0.5
97.02907	0.9
97.06519	1.9
105.07030	1.6
107.04947	1.8
107.08620	0.8
109.06599	0.5
109.10142	0.8
111.04447	0.9
115.05423	0.4
117.03384	8.3
119.04859	0.4
119.08594	1.2
120.30066	0.3
121.06472	0.7
121.10180	1.0
124.07590	0.9
127.03909	0.4
129.06859	0.4
130.05031	1.0
131.08537	0.4
133.06454	0.3
133.10071	0.5
135.04425	15.9
135.07976	0.4
137.05959	2.0
139.03934	0.4
145.01758	0.7
145.02858	10.6
147.04387	0.5
147.08009	0.4
147.11679	0.5
148.07599	0.4
149.06042	0.4
151.07530	0.5
153.07027	0.3
157.10175	0.5
161.06027	0.7
161.09702	0.4
163.03912	100.0
164.04289	1.4
167.07008	0.7
167.19754	0.3
172.62126	0.3
175.07597	1.1
177.05530	0.8
177.09082	0.6
181.04945	0.9
187.45987	0.4
188.74617	0.3
191.10619	0.5
193.12350	0.6
201.05502	1.6
201.09097	0.6
210.14995	0.4
213.05559	0.6
227.06998	0.5
234.06572	0.4
234.11346	0.5
235.07623	0.4
253.08598	0.4
262.06287	0.4
305.08218	0.5
305.11514	0.8
323.09100	0.5
337.10614	1.0
337.14151	0.7
355.11716	1.6
355.15619	1.4
355.21439	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1024
Annotation	Chlorogenic Acid
Peak:m/z	Relative Intensity
50.69338	0.3
51.09507	0.3
57.03438	0.3
69.03421	0.7
71.51988	0.5
73.02926	0.4
79.05476	1.0
83.04956	0.7
83.39916	0.3
85.02911	1.9
86.03249	0.5
89.03912	5.1
97.02898	0.5
107.04972	1.5
114.92015	0.3
117.03390	7.1
127.03927	1.0
135.04422	14.1
145.02849	10.9
145.04784	0.4
163.03906	100.0
164.04268	0.7
183.05009	0.4
183.55302	0.5
185.02696	0.3
192.12563	0.3
193.05701	0.3
245.05096	0.6
247.04915	0.4
337.09192	0.4
360.77136	0.3
366.09409	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1026
Annotation	Chlorogenic Acid
Peak:m/z	Relative Intensity
51.05264	0.2
63.02369	0.5
63.74887	0.3
65.03925	0.3
67.05498	0.6
69.03422	0.4
69.07061	0.4
71.52079	0.3
72.08149	0.4
79.05508	1.6
81.07056	0.4
83.04976	0.7
83.48649	0.2
84.08127	0.7
85.02930	0.3
89.03919	6.1
90.25687	0.3
91.05473	0.8
93.07050	0.3
95.04983	0.6
95.08614	0.5
97.06531	0.7
107.04957	2.1
107.08560	0.3
109.10143	0.3
111.04445	0.4
117.03387	9.5
117.07076	0.3
119.08618	0.4
121.02904	0.6
121.06490	0.5
135.04422	16.7
137.05997	0.8
137.09558	0.2
145.02856	11.7
145.03882	0.5
151.07620	0.3
161.44559	0.2
163.03909	100.0
164.04263	0.7
177.05495	0.4
186.05568	0.3
201.05525	0.3
250.13689	0.2
270.97147	0.3
285.11206	0.3
286.04739	0.3
305.11795	0.4
355.11908	0.6
355.17380	4.2
355.21326	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1024
Annotation	Chlorogenic Acid
Peak:m/z	Relative Intensity
54.63120	0.4
62.31727	0.4
63.02366	0.5
67.33070	0.4
69.57578	2.8
79.05493	0.9
83.04970	0.4
86.91890	0.4
89.03925	7.9
92.49515	0.4
107.04987	2.9
107.05592	0.6
110.47678	0.4
111.04469	0.7
117.03390	10.4
117.31242	0.4
135.04424	18.1
145.01767	0.8
145.02855	12.4
145.03993	0.7
147.06558	0.5
163.03912	100.0
164.04243	1.0
193.07101	0.6
203.07036	0.8
205.04916	0.5
208.95996	0.4
224.95605	0.4
230.60809	0.4
235.05994	0.5
249.58488	0.4
316.59641	0.4
348.77780	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1023
Annotation	4-Caffeoylquinic acid
Peak:m/z	Relative Intensity
55.01862	1.8
55.38868	0.8
56.75769	0.7
57.03436	1.1
59.04987	2.2
61.02925	1.0
66.82388	0.9
68.99810	0.7
70.79008	1.6
79.03050	0.8
81.03433	1.2
85.02904	3.9
89.03935	1.8
97.02883	0.9
103.03926	1.6
105.03400	1.9
107.04972	1.4
117.03375	1.4
123.04419	1.6
135.04401	2.7
145.02811	2.1
147.04425	1.0
151.03900	1.5
161.05992	2.4
163.03891	15.4
165.01872	1.6
167.03429	0.9
168.81282	0.8
171.31715	0.7
175.03972	0.9
189.05469	16.7
192.04095	1.8
193.04984	6.9
203.07002	11.5
205.04968	100.0
206.05743	6.3
207.06532	0.9
217.04962	13.0
218.60728	0.9
219.02921	1.1
219.06516	1.8
227.06940	4.0
229.04948	3.9
230.05769	1.6
231.02855	2.4
231.06520	22.9
235.06010	71.3
243.06570	3.2
245.08107	11.3
255.06558	5.8
257.04449	1.6
259.06033	32.4
271.06042	11.8
273.07535	2.7
283.06003	12.1
289.07089	19.2
301.07089	15.4
319.08160	12.4
337.09113	7.5
355.10263	6.4
355.19998	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1022
Annotation	Chlorogenic Acid
Peak:m/z	Relative Intensity
53.14446	0.2
63.02357	0.4
65.03963	0.3
71.25200	0.4
71.25529	0.3
75.63436	0.2
79.05485	1.0
83.04953	0.7
87.24641	0.3
89.03915	4.5
90.92368	0.3
107.04961	1.8
117.03380	6.9
135.04417	14.1
145.02849	11.8
145.04002	0.6
150.76372	0.2
163.03902	100.0
164.04262	0.5
181.04965	0.6
195.87904	0.3
237.74239	0.2
322.83841	0.3
361.10641	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1024
Annotation	Chlorogenic Acid
Peak:m/z	Relative Intensity
53.62096	0.6
65.41606	0.5
70.18349	2.3
79.05498	1.4
81.22358	0.6
89.03913	6.2
90.75684	0.6
94.93250	0.6
104.59143	0.6
107.04957	2.2
117.03378	9.5
121.02843	1.9
126.25520	0.6
135.04414	17.0
145.01767	1.0
145.02863	13.5
163.03911	100.0
164.04291	0.7
193.04938	1.0
194.80869	0.6
205.04974	8.0
206.05745	2.4
217.05049	1.3
219.06441	1.1
235.06000	8.9
245.08078	2.9
259.05988	3.5
265.79803	0.7
273.07718	0.8
289.07135	2.8
301.07190	0.9
319.08224	2.8
337.09140	3.8
355.10269	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	354.3005
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96563	34.3
58.29306	10.5
59.65661	9.9
61.02930	23.3
63.03965	9.7
67.05501	43.3
69.07077	18.2
69.25568	60.7
69.25993	37.7
71.08632	36.1
79.05503	30.8
81.07063	33.6
93.07047	27.0
95.08609	17.9
99.08093	22.1
107.08549	13.6
109.10149	20.6
117.73282	11.7
120.07818	11.9
121.10124	22.5
123.09919	12.0
135.11673	22.7
151.11316	11.6
179.14297	53.1
189.86086	12.1
229.07407	100.0
247.08521	54.2
252.09143	28.4
265.57135	10.7
277.21689	84.0
309.24271	39.8
317.18155	17.6
354.18600	21.1
354.40781	21.3
355.28323	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	354.2851
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13936	0.5
51.61619	0.5
55.05499	2.9
56.96559	2.6
57.03463	0.5
57.07076	5.2
58.07728	0.6
59.05003	37.2
65.49616	0.7
67.05496	4.0
68.05812	0.9
69.07063	1.7
69.20697	2.3
69.21125	3.7
73.02930	0.8
79.05489	1.9
81.07070	3.2
82.07410	1.3
82.76943	0.7
83.08627	1.7
85.02894	1.0
87.04469	10.2
89.06033	3.2
91.05457	1.5
93.07051	2.6
94.07372	1.0
95.08598	2.8
96.08966	0.9
98.21551	1.5
101.09655	3.5
103.07583	100.0
104.07929	0.8
105.07043	1.0
107.07091	0.9
107.08606	1.3
108.08901	1.0
109.10148	1.7
113.47830	0.6
119.07058	3.5
119.08595	1.0
121.08627	0.9
121.10095	0.9
122.10437	0.8
124.08308	0.7
131.08569	1.1
133.10120	1.0
135.11649	1.1
136.12045	0.8
137.13266	0.7
147.11687	0.8
149.13229	0.8
159.71391	0.6
160.17978	0.7
163.03896	1.3
163.13329	2.9
163.14561	0.6
175.13297	5.2
185.05029	0.9
203.05922	0.8
207.13863	0.6
229.07538	0.6
244.21516	0.9
248.76546	0.6
262.22577	3.1
267.09183	0.6
281.10599	2.0
281.17236	0.7
282.11072	1.6
285.10175	0.9
295.08649	0.7
299.11716	1.1
300.11850	0.8
312.63062	0.7
313.09714	0.7
331.06363	0.9
353.66202	0.7
354.17386	1.7
354.28107	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	354.2639
Annotation	Unknow
Peak:m/z	Relative Intensity
51.01960	13.2
56.96561	15.4
61.65834	15.0
67.05498	19.8
71.03130	19.1
71.03446	14.6
79.05473	15.8
80.08634	13.0
81.07041	17.0
88.07622	19.9
91.05431	17.0
93.07042	17.7
95.08619	19.1
100.14955	14.4
100.46574	14.3
105.07059	19.4
107.08543	20.3
120.98089	13.6
155.91951	13.9
231.10742	15.0
336.29016	21.0
354.33670	100.0
356.62155	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	354.1759
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	3.3
55.01867	5.4
55.05508	2.3
56.27573	1.2
57.03435	4.4
58.80510	1.3
60.18977	1.4
61.02921	6.1
68.99789	1.5
69.03429	36.7
69.07060	2.5
70.06591	2.4
71.04992	5.1
71.52678	2.4
73.02904	4.8
79.05473	1.3
81.03420	16.9
82.63267	1.5
83.04985	1.2
84.04502	1.4
84.08157	2.2
85.02908	100.0
86.09711	3.2
87.00828	47.6
87.01360	2.5
90.46771	1.3
91.05484	5.1
95.04926	1.7
95.12685	1.3
97.02895	32.6
97.06505	2.0
98.97595	3.3
99.04457	12.0
103.03939	1.7
105.01868	84.6
105.07028	2.3
108.04494	2.6
109.02884	27.5
116.98684	1.9
127.03920	75.5
129.01855	3.0
131.04883	1.8
135.04425	2.8
145.02885	1.6
145.04964	34.4
145.06029	2.7
147.02907	1.9
147.04411	5.2
159.02866	8.8
163.03925	7.4
213.03975	3.2
214.06863	1.7
231.04988	25.7
249.06050	10.0
354.19720	2.5
363.65912	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	354.1449
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	1.7
67.05503	4.4
69.03403	2.2
71.25301	1.7
71.25626	2.9
81.04548	3.2
84.04540	1.9
84.87148	1.7
85.02904	2.3
88.51886	1.8
91.05475	5.2
94.06559	6.7
98.21482	1.8
103.05477	1.5
106.06525	2.2
118.06532	4.4
119.04946	2.8
122.06026	11.4
123.04416	4.5
123.06728	2.9
124.07587	5.8
130.06537	98.9
134.06026	42.3
134.71211	1.9
135.09157	2.3
136.07585	14.5
139.03931	2.9
140.07027	4.3
144.08095	2.9
146.05995	6.3
147.04369	5.0
149.07118	5.5
150.05510	100.0
152.07068	79.3
152.08302	3.8
154.08643	3.1
157.07608	4.5
158.08405	5.7
159.09178	11.6
161.07146	9.5
162.05623	2.1
162.07918	3.8
163.03941	10.1
163.08676	47.2
164.07103	3.7
169.07559	2.7
175.04018	2.2
177.04239	3.7
180.08148	1.8
181.09746	11.6
188.07060	3.9
192.06578	14.2
203.07028	5.1
203.10757	2.8
204.11073	3.0
205.09674	4.3
206.08485	2.5
207.07645	10.9
212.43398	1.6
221.10623	3.2
225.08727	38.9
232.09929	2.5
237.08815	2.5
247.12215	2.0
248.09457	3.9
249.10246	24.2
263.11819	12.1
267.11288	14.5
275.11844	28.7
279.11331	10.3
280.11963	3.6
281.12878	59.4
292.14481	24.3
293.12872	20.3
310.15503	47.1
315.48233	1.9
354.10022	3.2
354.14499	65.1
354.19138	3.8
354.23755	5.1
355.14813	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.269
Annotation	Unknow
Peak:m/z	Relative Intensity
52.60709	3.0
53.03946	3.9
55.01869	4.1
55.05520	24.9
56.96555	8.4
57.03433	5.9
57.07071	7.0
59.63609	2.7
60.95817	3.0
67.05505	100.0
69.03443	5.4
69.07063	18.4
71.04984	5.2
71.08633	5.1
73.56268	3.0
79.05069	5.2
79.05498	63.7
79.97835	3.1
81.03402	3.8
81.07059	95.2
83.05010	5.1
83.08617	10.4
85.06582	3.1
85.88734	3.0
91.05484	43.7
93.07048	88.5
95.04978	8.0
95.08609	89.0
97.02857	3.3
97.10163	5.7
99.08102	8.5
105.07030	29.6
107.08595	51.9
109.06554	5.7
109.10166	41.8
111.75590	2.8
117.07005	12.0
119.08591	31.4
121.10146	41.2
123.08043	4.8
123.11706	10.6
125.09637	3.5
131.08574	36.3
133.10146	24.8
135.11681	25.9
137.09637	7.6
137.13248	4.8
139.03885	4.0
139.11234	4.1
145.10133	28.5
147.11685	15.8
148.12178	3.8
149.09610	4.1
149.13254	25.9
151.14906	4.9
154.12283	13.5
155.12628	10.9
157.10071	6.3
159.11676	21.3
161.09648	4.1
161.13243	13.8
163.03868	4.9
163.11104	3.7
163.14830	21.5
172.13376	5.6
173.13254	22.7
175.14847	5.7
177.12701	4.4
177.16347	7.6
183.11705	4.0
187.14839	13.3
196.13359	4.3
197.13527	6.5
201.16537	4.7
217.07439	3.4
218.99670	3.9
229.07362	4.7
233.22679	7.4
237.00783	7.8
238.01128	4.4
243.21111	35.3
261.22186	87.8
265.10986	4.9
265.61157	16.2
271.08560	3.1
277.11920	5.5
327.06580	3.1
333.09503	3.8
335.26138	4.3
353.15155	4.0
353.25443	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	353.2689
Annotation	1,3-dihydroxypropan-2-yl (9E,12E,15E)-octadeca-9,12,15-trienoate
Peak:m/z	Relative Intensity
50.51876	2.0
53.03932	4.1
55.01853	6.4
55.05518	33.5
56.91808	1.8
57.03442	22.8
57.07082	10.4
58.07397	2.2
65.03922	2.4
65.93445	1.9
67.05510	83.9
69.03410	2.1
69.07074	38.6
71.04977	4.3
71.08635	74.8
79.05076	2.7
79.05497	42.8
81.07060	99.4
83.04971	8.3
83.08224	2.2
83.08626	24.0
85.06522	8.1
85.10168	4.9
91.05489	26.5
93.06495	2.9
93.07050	49.4
95.05003	2.7
95.08614	72.1
97.06545	10.5
97.10164	17.5
99.08100	58.1
105.07035	20.8
107.07990	2.9
107.08597	34.8
109.06516	3.2
109.10152	35.0
111.08064	6.9
111.11681	1.9
113.09666	4.7
117.06981	6.0
119.08597	17.3
121.10159	29.0
123.11747	14.7
125.09593	8.6
127.11215	3.1
131.08557	18.6
133.10133	11.4
134.08864	2.3
135.07977	2.8
135.11710	25.2
137.13303	9.7
145.10159	14.2
147.11696	29.1
149.02257	2.5
149.09595	3.0
149.13269	14.6
151.11107	2.8
151.14825	6.3
153.12718	7.7
159.11694	5.7
161.13312	9.5
163.11139	6.2
163.14835	16.6
165.12772	9.7
167.14288	2.9
169.12228	2.1
171.10228	2.7
171.11755	2.3
173.11835	3.2
173.13197	10.9
175.14821	4.7
177.16394	4.6
179.14378	2.3
181.15891	4.9
183.11629	2.0
187.14777	6.3
189.11194	4.9
191.14253	3.2
193.04950	3.9
227.12773	2.2
233.22733	3.0
243.21120	17.1
261.22131	51.3
264.42526	2.0
279.23215	35.8
301.07272	2.1
353.26782	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2686
Annotation	Unknow
Peak:m/z	Relative Intensity
50.70127	1.8
51.77298	1.7
53.03944	4.2
55.05509	13.1
57.03427	5.5
57.07059	5.3
58.41240	1.8
67.05508	88.1
69.07060	14.7
70.90925	4.1
70.91273	2.3
71.08627	4.3
72.55210	1.8
79.05494	49.7
81.07059	90.1
83.08597	6.7
85.06526	4.1
91.05482	20.5
92.82567	2.1
93.06487	4.1
93.07048	62.0
95.04955	3.0
95.08608	70.4
97.06548	3.0
97.10162	5.7
99.08096	2.6
105.07024	19.0
107.08592	41.2
109.10167	30.0
111.08084	2.6
111.11663	2.5
112.46302	1.9
113.09653	2.7
117.07019	11.9
119.08581	15.9
121.10142	36.7
123.08054	2.4
123.11745	12.0
125.09647	2.5
131.08556	24.7
133.10117	11.1
135.11694	31.1
137.09596	2.6
137.13237	6.3
145.10094	17.7
147.11690	9.3
149.09628	4.5
149.13246	18.5
151.14827	2.8
159.10474	2.2
159.11671	13.1
161.13257	12.2
163.14810	23.4
173.13242	19.5
175.14799	4.6
177.12845	2.5
177.16412	7.7
187.14847	9.1
201.16452	3.2
229.07439	5.7
233.22612	5.1
243.21111	33.9
243.84479	2.3
261.22137	100.0
279.23077	4.5
294.79248	2.1
335.25806	18.4
353.17102	4.1
353.27081	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	353.2689
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	13.2
57.03438	6.0
63.22110	3.1
64.46877	2.8
65.03936	3.1
67.05511	96.9
69.07061	12.5
70.76209	5.0
70.76544	6.0
71.04999	4.7
71.24287	2.8
79.05502	50.1
81.06586	6.7
81.07063	98.7
83.07072	3.1
83.08625	8.3
91.05494	25.0
93.07047	58.0
95.08611	68.3
97.06524	4.5
97.10152	5.7
105.07043	15.8
107.08605	38.8
109.10158	40.6
114.25768	2.9
117.07037	7.0
119.08556	15.1
121.10155	35.8
123.11689	18.8
131.08580	23.0
133.10146	16.1
135.11697	29.4
137.13251	4.1
145.10138	16.1
147.11678	10.8
149.13258	16.1
151.14799	4.2
159.11728	12.4
161.13295	9.9
163.14806	18.8
173.13300	17.3
175.14807	7.9
177.16429	4.0
179.14346	4.0
187.14835	10.5
201.16389	4.0
226.40196	3.6
233.22707	3.6
243.21101	35.7
261.22168	100.0
279.23199	5.4
335.25778	11.5
353.27124	37.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2688
Annotation	1,3-dihydroxypropan-2-yl (9E,12E,15E)-octadeca-9,12,15-trienoate
Peak:m/z	Relative Intensity
51.62926	2.4
53.03950	3.1
55.05507	18.1
57.03443	6.4
57.07064	5.5
65.03946	3.1
67.05511	99.4
69.07079	14.5
69.91412	4.4
69.91813	6.0
71.08624	2.9
75.04475	2.8
79.05499	46.5
81.07063	100.0
83.08157	2.7
83.08640	8.5
85.06571	3.6
91.05481	22.3
93.07053	64.0
95.08616	76.1
97.06532	5.0
97.10191	3.2
98.20684	3.2
105.07048	14.6
107.08604	40.8
109.10154	36.1
117.07020	6.0
119.08608	14.3
121.10156	36.2
123.11718	19.4
126.78668	2.4
131.08559	23.1
132.18097	2.6
133.10158	15.0
135.11697	29.5
137.13277	7.9
145.10107	16.8
147.11665	14.8
149.13283	18.6
158.07552	3.3
159.11720	12.5
161.13228	9.2
163.14856	17.2
173.13268	18.1
175.14909	3.5
177.16428	4.4
187.14873	7.3
189.65082	2.9
225.76622	2.7
243.21080	22.4
261.22156	93.4
279.23203	5.9
328.54053	2.5
335.25845	14.7
353.22653	4.3
353.26773	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	353.2688
Annotation	1,3-dihydroxypropan-2-yl (9E,12E,15E)-octadeca-9,12,15-trienoate
Peak:m/z	Relative Intensity
50.47534	1.9
53.03947	3.0
55.05508	9.4
57.03444	4.2
57.07080	2.6
65.03925	2.0
67.05508	71.4
67.35416	1.4
69.07066	9.7
71.04974	2.3
77.03947	1.7
79.05503	32.7
81.07060	65.8
83.08633	5.1
91.05487	17.3
93.07054	47.2
95.04981	1.6
95.08616	51.7
98.21614	3.0
99.08096	3.1
105.07034	18.5
107.08596	34.0
109.10164	28.3
117.06990	7.9
119.08602	12.9
121.10152	27.2
123.11712	17.9
131.08575	16.6
133.10147	11.0
135.11703	21.5
137.13255	5.8
139.11227	1.8
145.10121	15.6
147.11720	7.7
149.13257	15.0
151.14818	2.6
153.12718	2.8
159.11710	13.4
161.13251	10.0
163.14816	11.2
173.13292	12.5
175.14883	2.7
177.16405	2.7
179.14301	2.0
179.25198	1.6
187.14848	6.4
194.93880	1.6
201.16406	2.2
205.15967	2.0
215.17923	1.7
229.16624	1.9
233.22687	4.1
243.21109	25.2
261.22144	100.0
263.13638	1.9
279.23376	3.1
335.25739	10.3
353.26868	27.6
362.11929	1.9
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	Unknow
Peak:m/z	Relative Intensity
55.05504	17.1
57.03424	6.0
57.05845	1.9
57.07075	4.7
65.03918	2.2
67.05506	90.5
69.07071	10.3
69.21194	16.7
70.59832	1.9
71.04988	4.2
79.05070	3.7
79.05494	41.4
80.17054	1.9
81.07058	100.0
81.58385	1.8
83.08616	8.1
84.76841	1.8
85.06533	2.0
91.05486	19.7
93.07046	44.2
95.08611	75.3
97.06529	4.3
98.20782	3.2
99.08047	3.0
105.07066	15.2
107.08594	33.9
109.10159	33.7
111.08011	2.2
117.07027	6.5
119.08585	12.9
121.10144	34.7
123.08130	2.3
123.11713	16.7
131.08592	13.8
133.10130	13.4
135.11688	24.2
137.12289	1.8
137.13261	6.8
145.10120	14.6
147.11699	10.6
149.13271	20.4
153.12749	2.7
155.06816	2.1
159.11693	13.2
161.13280	8.7
163.14781	12.0
173.13275	17.6
175.14796	4.6
177.12756	2.3
177.16379	4.9
187.14804	10.4
201.16464	4.1
233.22600	2.3
243.21071	25.5
249.92976	2.4
261.22137	91.5
279.23187	7.2
335.25787	17.3
353.26929	37.8
378.53302	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	353.2686
Annotation	1,3-dihydroxypropan-2-yl (9E,12E,15E)-octadeca-9,12,15-trienoate
Peak:m/z	Relative Intensity
52.32995	1.6
53.03935	3.4
55.05510	17.2
57.03426	2.9
57.07056	4.8
65.03929	2.1
66.71922	1.5
67.05505	78.3
69.07063	13.6
69.60723	4.4
69.61131	5.3
70.59278	1.7
71.08624	3.9
79.05495	56.4
81.07055	79.6
81.48807	1.6
83.08612	9.0
83.22055	1.7
85.06544	3.4
85.10172	2.0
91.05474	26.8
93.07045	70.6
95.04969	4.4
95.08607	61.4
97.06511	4.0
97.10156	3.0
99.08106	4.0
105.07038	20.3
107.08601	41.4
109.06494	1.9
109.10164	26.6
111.08076	2.0
113.09645	3.7
117.07036	9.6
119.08566	11.2
121.09316	3.1
121.10136	35.9
123.11710	11.4
127.16949	1.7
131.08560	25.8
133.10161	9.9
135.11691	25.8
137.13255	9.3
145.10126	15.1
147.11700	11.8
149.09706	2.0
149.13254	22.7
151.14787	3.9
159.11705	12.3
161.13292	11.8
163.14810	14.9
165.12761	1.9
173.13261	15.2
175.14833	3.7
177.12704	2.4
177.16396	5.2
187.14803	10.8
201.16403	3.8
205.15817	2.5
215.17952	2.3
219.73077	1.8
229.07370	2.2
233.22664	9.5
243.21094	37.9
261.22137	100.0
335.25723	6.8
350.55841	2.2
353.26840	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	353.2686
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.8
54.01847	1.0
55.01869	1.3
55.05509	10.6
56.96558	1.2
57.03426	4.0
57.07065	3.9
65.03937	2.6
67.05505	77.6
69.07069	11.8
70.71194	0.9
71.04990	2.2
71.08622	1.1
75.57085	0.9
77.03951	1.1
79.05495	39.2
81.07057	86.6
83.04979	1.7
83.08624	5.3
85.06548	1.9
91.05481	21.9
93.07043	53.2
95.04954	2.2
95.08610	59.5
97.06531	3.2
97.10165	2.9
98.20793	2.2
99.08080	1.9
105.07024	15.1
107.08596	34.3
109.06496	2.0
109.10159	30.1
111.08079	2.3
111.11729	1.3
113.09650	1.2
117.07005	7.9
119.08584	14.1
121.10144	29.9
123.11707	16.9
125.09648	1.5
131.08566	20.8
133.10126	12.4
135.10693	1.9
135.11693	29.0
137.09583	1.5
137.13243	7.6
145.10133	14.0
147.11699	11.3
149.13274	19.0
151.11201	2.1
151.14819	3.1
159.11702	13.7
161.13249	10.3
163.14842	12.6
165.12689	3.1
165.16519	1.3
173.13252	13.3
175.14815	3.7
177.12642	1.2
177.16377	4.7
179.14320	2.3
183.83287	1.0
187.14827	11.0
191.14262	1.3
201.16412	2.6
203.94405	1.0
205.15851	1.7
215.18033	1.9
229.07503	1.1
233.18874	1.1
233.22485	5.1
243.21083	31.4
261.22131	100.0
263.09436	1.1
263.23773	1.3
279.23166	3.5
281.10599	3.6
299.11560	1.5
335.25824	10.7
342.81937	1.0
353.26935	31.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2686
Annotation	1,3-dihydroxypropan-2-yl (9E,12E,15E)-octadeca-9,12,15-trienoate
Peak:m/z	Relative Intensity
50.01602	0.8
50.86418	0.9
53.03940	2.7
55.01883	1.1
55.05513	13.1
57.03433	6.2
57.07081	5.3
59.75557	0.7
65.03944	2.6
67.05505	84.9
69.06725	1.3
69.07069	14.5
71.04990	2.2
71.08623	1.8
75.04494	2.1
79.05495	35.8
81.07057	100.0
83.04972	1.2
83.08623	7.8
85.06537	2.6
91.05480	16.0
91.06028	1.5
93.07045	50.6
95.04984	1.4
95.08606	73.3
97.06534	3.2
97.10178	3.4
98.20743	2.0
99.08099	2.3
100.72594	0.7
102.71664	0.7
104.04518	0.7
105.07031	19.5
105.07693	1.4
107.08595	36.0
109.06509	1.4
109.10159	39.2
111.08082	1.5
113.09663	1.7
117.07010	7.6
119.08578	11.2
121.10143	31.3
123.08103	1.3
123.11709	20.3
125.09650	1.2
130.07761	0.9
131.08565	18.8
131.17642	0.9
133.10135	13.3
135.08183	0.9
135.11696	28.1
137.09636	1.7
137.13264	8.1
139.11208	1.4
145.10115	15.4
145.11163	1.4
147.11694	10.9
149.13257	19.2
151.11163	1.9
151.14873	2.2
159.11694	13.9
161.13261	9.3
163.11189	1.4
163.14816	11.8
165.12840	1.8
165.16310	1.0
167.80966	0.8
173.13251	15.2
175.14830	3.2
177.12727	1.1
177.16359	4.6
179.14368	1.4
187.14803	9.4
189.79846	0.7
191.14291	2.0
201.16422	2.3
205.15906	1.9
215.17870	1.0
217.19493	0.8
219.17372	1.3
233.22633	3.6
243.21089	24.3
261.22137	98.1
262.22458	1.7
263.23550	1.1
279.23157	7.1
312.12766	0.8
317.24734	1.5
335.25778	19.1
353.26877	33.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2299
Annotation	Unknow
Peak:m/z	Relative Intensity
50.32383	0.3
55.01866	0.3
55.05495	0.8
56.96561	0.5
57.74910	0.3
59.04987	0.4
61.02905	0.3
67.05491	1.8
69.03420	0.8
69.07061	0.9
71.52734	0.3
71.53151	0.4
79.05486	0.8
81.03419	0.6
81.07043	1.2
85.02902	0.4
91.05486	1.0
93.07036	1.3
95.04967	0.3
95.08601	0.9
97.02902	4.1
97.06506	0.8
98.97603	0.8
105.07024	0.7
107.08601	0.8
109.06567	0.4
109.10138	0.9
118.56307	0.3
119.08576	0.6
121.06464	0.5
121.10151	0.6
133.10156	0.5
135.04376	0.5
135.08044	0.5
145.10139	0.5
151.11147	0.3
161.05966	0.4
162.06824	0.6
163.03955	0.9
175.03920	0.6
178.06349	0.4
188.47272	0.4
190.06259	1.2
191.07071	0.7
193.08592	0.7
195.09950	0.6
199.03906	0.3
199.14760	0.3
201.09645	0.3
206.05795	0.4
221.08095	5.1
229.04967	0.5
229.07516	0.5
231.10692	0.4
245.04616	0.6
256.03650	0.7
257.04416	2.9
293.22922	0.4
318.16785	0.4
335.21243	1.4
353.10513	3.5
353.22989	100.0
354.14459	0.7
354.23282	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	352.2849
Annotation	Unknow
Peak:m/z	Relative Intensity
53.67578	15.5
55.05509	19.9
57.07084	18.4
67.05488	38.5
67.56335	15.2
67.68884	14.8
69.07085	16.8
69.81409	34.8
69.81824	42.1
70.16339	17.4
79.05485	48.2
81.03429	19.3
81.07049	79.5
83.04981	17.3
83.08633	20.8
84.13834	13.5
91.05486	42.0
93.07022	21.1
95.08597	51.2
97.06548	27.0
105.07018	50.0
107.08604	22.5
109.10168	28.9
113.73966	19.1
114.85840	17.2
119.08637	38.1
121.10046	24.4
131.08620	21.2
133.10138	27.3
165.53514	15.7
179.04062	15.2
195.80531	17.5
203.12758	18.7
243.21126	20.3
254.04614	17.6
261.22202	39.4
275.20007	100.0
307.22787	40.1
352.15167	19.8
352.23483	67.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	352.1605
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	5.2
55.01875	9.3
55.05507	3.6
57.03426	6.2
59.88046	1.8
61.02938	9.2
65.03925	2.4
67.05487	7.3
68.99787	4.6
69.03430	42.9
69.07071	16.5
70.06609	9.9
71.04982	8.5
71.41038	1.9
71.51947	2.8
72.08179	2.0
73.02901	8.5
79.05492	8.5
81.03416	23.6
81.07059	18.6
83.04994	3.2
83.08574	2.2
85.02907	100.0
85.06531	8.1
87.00827	38.3
88.03964	3.1
91.05482	10.9
93.07051	17.4
95.04964	4.1
95.08589	4.4
97.02900	41.1
97.06514	11.7
98.06069	2.7
98.97554	2.0
99.04472	17.1
100.60695	1.9
101.20137	1.7
102.05544	2.4
103.03943	3.2
105.01199	4.0
105.01868	60.1
105.07034	7.2
107.04969	13.8
107.08570	6.4
108.04472	3.2
109.02880	24.8
109.06498	4.7
111.08072	17.1
115.03925	4.1
116.07106	4.9
117.01801	2.5
117.07010	3.4
119.08600	3.5
120.01154	2.6
121.02845	4.0
121.06492	3.0
121.10162	2.6
122.02715	5.1
123.08047	2.8
125.09659	2.2
126.05489	3.8
127.03922	63.4
129.01848	5.3
131.00134	2.0
131.04887	3.2
131.08565	4.6
133.06470	3.3
133.10149	2.1
134.76897	1.8
135.08040	4.2
135.11673	3.7
137.09587	2.7
145.04967	37.6
147.02895	3.8
147.04414	2.2
147.08023	5.5
147.11668	1.9
148.05978	2.8
149.09633	4.3
149.13266	2.6
152.36824	1.7
153.09064	12.3
159.02895	16.7
159.04324	4.4
159.08058	4.8
159.11723	3.8
165.09087	7.1
176.07095	2.4
177.09074	10.0
177.12709	3.3
189.03896	5.6
192.53795	1.8
195.10179	27.3
195.13791	6.8
201.09167	1.9
209.01297	2.6
210.11172	2.4
212.16539	2.4
213.11336	3.1
213.14853	12.1
227.02327	3.5
231.04987	24.1
243.05270	13.7
243.55548	2.3
248.07643	2.1
249.06071	6.8
281.10248	5.0
288.16159	2.9
295.68149	2.1
298.18793	2.2
298.24652	2.1
299.11163	4.1
316.15701	4.5
316.19705	2.9
334.16888	21.1
334.20676	3.9
352.11792	3.2
352.18164	2.9
352.22107	8.4
353.19482	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2641
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	5.0
56.96561	2.1
57.03447	1.5
57.07071	1.4
60.69376	0.9
61.02896	1.0
62.77038	0.9
67.05520	9.1
69.07077	4.6
71.08623	2.4
71.16301	0.9
71.52428	1.4
73.65797	0.9
79.05496	8.4
81.07073	11.4
83.04965	1.7
83.08621	2.8
90.94736	1.0
91.05491	6.7
93.07052	10.8
95.04967	2.8
95.08621	8.6
97.06514	2.0
99.08078	1.9
105.06428	1.0
105.07036	7.4
107.08597	8.3
109.06525	1.6
109.10190	4.7
111.08091	1.4
117.07031	1.0
119.08595	6.0
121.10154	3.9
122.03651	4.0
123.08052	1.0
123.11745	1.0
125.09533	1.1
127.79046	0.9
129.07001	1.1
131.08571	1.4
133.10126	6.3
135.11717	3.9
137.05989	100.0
143.08643	1.1
145.10146	1.4
147.11720	4.8
149.13232	3.0
151.11124	1.8
153.12776	1.2
157.10153	1.2
159.11789	1.1
161.13271	3.1
163.11134	1.4
170.15405	2.7
171.11842	1.4
172.63873	0.9
175.14754	1.7
181.09836	0.9
182.15373	5.2
185.13321	1.3
207.17432	1.1
231.21049	1.8
237.00784	1.1
241.19534	2.4
259.20605	6.0
265.10895	2.7
277.21658	3.0
306.20667	6.5
333.17273	2.8
351.17657	5.6
351.21457	4.6
351.25290	15.4
352.24850	2.2
369.19196	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2683
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	7.5
53.66635	3.2
55.05515	26.0
57.07077	4.6
63.50793	3.3
67.05515	27.5
69.03420	6.1
69.07066	58.1
71.04986	15.5
77.67968	3.2
79.05488	30.5
81.07056	57.5
82.01466	3.1
83.08601	14.6
85.06575	4.2
91.05054	3.5
91.05494	34.4
93.07045	62.8
95.04976	24.2
95.08613	63.6
96.93652	3.4
97.06542	17.3
97.10179	3.4
99.12907	3.0
102.84984	3.2
102.96349	3.2
103.49667	3.0
105.07034	74.3
107.08598	57.9
109.06514	9.9
109.10159	52.7
111.08068	4.7
117.07006	15.0
119.08586	100.0
121.06534	8.4
121.10147	53.0
123.08102	5.0
123.11701	21.9
128.06224	4.5
129.06979	7.9
130.07854	4.7
131.08559	42.0
132.80161	3.5
133.10144	53.0
135.08067	17.2
135.11705	19.9
137.09589	8.3
137.13255	11.5
141.06894	3.9
142.07750	13.3
142.84641	3.4
143.08588	22.6
145.10120	49.3
146.07262	4.6
146.65164	3.9
147.08043	8.8
147.11705	27.9
149.09612	15.9
149.13269	8.2
155.08574	9.4
156.09396	6.5
157.10139	55.0
159.11732	22.8
161.09644	60.6
161.13245	14.4
163.11166	3.6
169.10161	8.4
170.10832	4.2
171.11682	29.4
173.09586	4.5
173.13271	13.7
175.11185	11.9
175.14867	16.6
177.12767	4.1
177.16396	25.6
179.08652	5.0
181.10143	4.1
182.10970	6.7
183.11726	12.3
185.13327	22.5
187.14851	8.9
189.16391	10.3
194.11047	3.8
195.11642	8.7
197.13329	8.2
199.14847	10.8
201.16367	6.2
203.18011	10.2
209.13280	19.3
211.14796	7.0
213.12688	5.4
215.17976	4.1
223.14828	3.9
227.14343	5.6
237.16432	3.9
241.19443	9.2
255.21048	7.8
259.20593	7.0
267.21207	5.9
268.21918	5.8
333.25745	6.3
351.22943	4.7
351.26907	34.8
351.34119	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2531
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02370	2.4
53.03946	4.3
55.01860	3.2
55.05513	21.0
56.96561	7.1
57.03436	13.0
57.07074	5.6
58.33371	1.7
60.28049	1.8
61.02927	2.2
64.46186	2.0
65.03918	2.5
67.05508	59.3
69.03419	3.2
69.07066	24.1
70.42789	2.8
70.43176	3.0
71.04966	5.5
77.03882	2.3
79.05495	76.7
81.03417	3.2
81.07058	64.2
83.04971	3.8
83.08638	9.0
85.02892	3.7
85.06542	6.4
91.04917	3.1
91.05482	61.8
93.07046	100.0
95.04963	5.7
95.08612	43.6
97.02881	2.9
97.06529	6.4
97.10169	4.7
98.97562	4.8
99.08075	6.3
105.04537	2.1
105.07033	70.9
107.08598	60.0
109.06496	4.2
109.10153	19.2
111.04450	1.7
111.08092	3.6
111.90712	1.9
117.07030	12.7
119.08590	54.3
121.06545	2.3
121.10149	48.5
123.08040	2.7
123.11700	7.7
129.07024	10.0
131.08571	25.8
133.09116	3.5
133.10135	50.4
135.08044	4.5
135.11688	45.7
137.06007	9.9
137.09569	2.9
137.13231	2.9
143.08572	12.3
145.10149	23.9
147.08057	2.6
147.11691	51.5
149.09628	5.6
149.13258	28.2
151.11223	2.5
156.26234	2.1
157.10139	15.8
159.11691	19.1
161.09612	4.0
161.13272	45.3
161.14592	2.8
162.64229	2.1
163.11147	4.2
163.14815	9.5
171.11676	15.0
173.13211	10.8
175.11198	4.0
175.14806	21.5
177.12775	3.7
179.14247	2.7
185.13271	13.5
187.14859	3.3
189.12698	4.3
191.14362	2.1
199.06718	2.2
199.14833	7.8
203.14290	3.2
213.16386	3.3
215.17982	4.1
217.15877	2.8
217.19585	7.2
229.07378	4.1
231.17421	6.1
231.21167	11.0
241.19522	40.3
242.55960	2.1
259.20581	99.5
277.18289	4.1
277.21631	14.8
309.13528	2.4
333.24216	14.7
351.21341	23.3
351.25296	94.9
352.25449	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.253
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	3.0
53.31867	0.7
55.01866	2.4
55.05270	1.3
55.05513	18.2
56.96558	1.7
57.03439	17.0
57.07075	4.0
64.30561	0.7
65.03941	2.5
67.05508	52.8
69.03432	1.7
69.07073	16.7
69.83708	2.8
71.04991	2.8
71.08635	60.0
74.99178	0.8
77.03930	0.9
79.05496	43.5
81.03429	6.4
81.07063	52.6
83.04980	9.5
83.08620	10.4
85.06531	3.4
91.05486	31.8
93.07050	59.8
95.02306	0.9
95.04967	13.1
95.08613	38.0
97.06537	11.0
97.10152	4.5
99.08101	35.1
105.04504	1.0
105.07038	21.0
107.04968	7.7
107.08604	32.6
109.06511	4.0
109.10162	16.0
111.08089	2.9
113.09650	3.8
117.07021	4.7
119.08589	19.6
119.09404	0.6
121.06537	1.9
121.10152	25.7
123.08096	2.1
123.11714	2.4
125.09675	1.8
127.11177	2.3
129.07018	2.1
131.08592	5.0
132.83751	0.8
133.10132	12.5
135.08076	1.5
135.11699	34.3
137.09628	2.7
137.13263	1.0
139.11177	1.8
141.09140	4.3
141.12675	1.0
143.08568	2.7
145.10092	6.0
147.11694	7.4
149.09608	0.8
149.13266	11.5
151.11188	23.0
153.12743	2.8
157.10109	2.2
159.11725	6.1
161.09634	1.8
161.13271	13.0
163.07185	1.0
163.11179	9.3
163.14832	3.1
165.12756	3.0
167.10701	2.8
171.11732	2.5
173.13275	2.9
175.14870	1.8
177.12836	5.0
179.14320	100.0
180.14638	1.2
181.12241	1.0
185.13298	2.6
189.12743	2.1
193.12199	0.8
195.13823	2.7
199.14841	1.3
207.13858	1.0
213.16437	1.1
217.15796	1.2
221.15359	4.4
231.21194	1.3
235.16815	4.4
241.19603	2.4
259.20557	8.2
259.97272	0.7
260.47119	0.8
277.21628	45.3
292.22818	1.2
293.21255	1.6
351.25323	52.5
352.25073	4.7
369.19559	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2531
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	2.4
55.01863	2.3
55.05274	1.3
55.05516	17.1
57.03442	13.5
57.07063	3.7
63.71618	0.9
65.03932	1.3
67.05133	1.4
67.05506	45.4
69.07067	14.3
69.60513	3.8
71.04975	2.6
71.08634	51.0
77.03933	1.0
79.05497	38.4
81.02566	1.0
81.03423	7.9
81.07061	44.2
83.04967	8.0
83.08625	9.9
85.06538	2.2
91.05480	26.8
93.07045	47.9
95.04958	8.2
95.07986	1.1
95.08607	30.7
97.06533	7.3
97.10168	3.9
99.08095	30.8
105.07032	20.3
107.04970	7.4
107.08599	25.7
109.06511	4.0
109.10163	13.2
111.08073	1.8
113.09600	3.0
117.07005	2.8
117.66638	1.0
119.08588	17.5
121.06549	1.3
121.10147	19.5
123.08029	2.7
123.11676	2.3
125.09681	1.8
127.11200	1.8
129.07001	3.2
131.08588	4.4
133.10133	10.6
135.10699	1.7
135.11703	32.9
137.09576	3.0
137.14592	1.0
139.11183	0.9
141.09074	2.9
143.08533	2.2
145.10112	3.5
147.07961	1.1
147.11723	5.6
149.09650	1.2
149.13264	10.6
151.11186	19.2
153.12755	1.9
154.69273	1.0
157.10168	1.7
159.11687	3.4
161.09599	1.3
161.13275	11.0
163.11157	6.3
163.14835	2.5
165.12764	2.1
167.10678	2.0
171.11687	3.1
173.13310	1.6
175.14806	2.5
177.12761	3.4
179.14314	100.0
181.12119	1.0
185.13280	2.4
189.12825	2.3
193.96909	0.8
195.13783	2.0
199.14865	1.7
201.50562	0.8
221.15385	2.7
230.33167	1.0
235.16994	4.5
241.19563	1.8
247.07390	0.8
259.20609	5.4
277.21628	41.1
328.87427	0.9
351.25302	50.9
352.25046	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	351.2533
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	4.4
53.76181	1.3
55.05521	15.4
56.96551	4.2
57.03426	5.5
57.07072	3.5
65.03935	2.7
67.05511	39.6
69.07077	13.8
69.68629	7.3
69.69038	2.3
79.05498	59.7
81.06583	2.9
81.07063	44.8
83.04981	1.8
83.08610	6.5
85.06529	3.4
85.55900	1.6
87.49601	1.4
91.05489	51.2
93.07053	72.1
95.04980	4.8
95.08614	31.2
97.06573	2.3
97.10150	1.8
99.08086	3.8
105.07035	62.4
107.08601	43.9
109.06510	4.6
109.10164	14.1
117.07043	12.3
119.08590	50.7
121.10149	33.5
123.08097	2.6
123.11707	4.7
125.09610	2.1
128.06198	2.4
129.06999	10.0
131.08565	16.3
133.10138	48.2
135.08051	3.2
135.10699	2.6
135.11703	33.5
143.08546	8.8
144.15013	1.7
145.10118	21.6
147.10542	3.1
147.11694	43.7
149.09653	2.6
149.13269	19.7
153.12854	2.1
157.10153	9.2
159.11691	18.5
161.13278	32.6
163.11250	3.6
163.14832	4.6
165.12756	2.0
171.11678	11.5
173.13263	9.7
175.14824	14.2
177.12846	3.4
182.23344	1.6
185.13297	13.3
187.14851	2.3
189.12756	2.9
189.16417	1.9
199.14853	7.2
201.16431	1.8
203.14322	1.9
213.16356	2.5
231.17496	3.3
231.21042	9.1
241.19516	33.2
255.08904	3.0
259.20596	100.0
277.21710	5.6
289.21585	3.3
351.18668	3.9
351.25320	69.7
369.19388	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	351.2529
Annotation	Unknow
Peak:m/z	Relative Intensity
50.83461	1.2
53.03948	4.2
55.01855	3.1
55.05514	15.4
56.96561	3.4
57.03436	7.3
57.07076	3.8
65.03940	2.0
67.05505	47.9
69.06797	1.3
69.07068	15.6
69.48180	8.2
70.71503	1.4
71.04964	1.5
77.03890	1.7
79.05493	65.8
80.90955	1.4
81.07053	54.7
81.07527	2.9
83.04966	2.3
83.08625	9.1
85.06535	4.0
91.04917	2.0
91.05482	53.5
93.07043	92.8
95.04962	6.3
95.08604	37.5
97.06521	3.3
97.10147	3.4
98.20785	3.3
99.08105	2.8
100.31501	1.3
105.06309	3.2
105.07028	57.7
107.08593	50.9
107.17770	1.5
108.67020	1.4
109.06504	3.7
109.10150	15.0
111.08015	1.7
113.09641	2.8
117.07016	14.2
119.08579	50.8
121.10143	42.7
121.11030	2.2
123.08047	2.7
123.11710	4.7
125.09647	1.8
128.06282	2.1
129.06978	8.9
131.08572	22.5
133.10133	47.9
135.08066	2.2
135.11691	49.2
137.09637	2.8
143.08577	11.4
145.10138	21.6
147.08107	1.5
147.11685	46.7
149.09630	4.9
149.13246	25.8
151.11224	3.2
157.10120	10.6
159.11674	19.6
161.13251	34.6
163.11165	2.7
163.14810	10.7
165.12708	3.3
171.11688	14.7
173.13220	9.2
175.11156	1.9
175.14827	16.0
177.12733	4.8
179.14363	2.1
185.13228	13.2
187.14810	2.5
187.32626	1.7
189.12709	1.5
189.16418	2.3
199.14886	7.9
203.14259	2.7
213.16403	6.2
215.17891	2.1
217.19507	3.1
231.17439	2.4
231.21049	10.0
235.16956	1.8
241.19507	35.7
243.08997	1.6
259.20563	100.0
264.82227	1.4
277.21643	15.9
333.17511	2.2
333.24139	8.8
351.18466	6.1
351.25314	87.2
352.25961	2.2
369.19525	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	351.253
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	5.5
55.05512	18.0
56.96564	1.4
57.03437	8.7
57.07056	3.7
61.66239	1.1
65.03933	2.9
67.05506	52.3
69.07067	16.0
69.30811	3.5
69.31232	6.8
71.04991	3.6
71.08651	6.6
71.08968	1.2
71.27390	1.6
75.04457	2.4
77.03942	2.1
79.05495	64.1
81.03416	2.2
81.07059	59.2
83.04980	3.9
83.08621	9.3
85.06535	5.1
91.04906	2.0
91.05485	53.5
93.07047	93.6
95.04974	6.7
95.08610	40.6
97.06525	4.4
97.10150	3.5
98.20730	1.4
99.08074	6.9
105.04511	2.1
105.07035	57.1
107.04971	2.7
107.08598	61.8
109.06483	4.2
109.10170	16.8
111.08083	2.6
113.09631	2.6
115.05434	1.4
117.07017	12.0
119.08586	58.4
121.04752	1.2
121.06498	2.1
121.10151	44.0
123.08085	1.3
123.11707	3.4
125.09646	1.8
125.16840	1.2
127.11243	1.3
129.07024	9.1
129.85492	1.2
130.07832	1.2
131.08572	21.2
133.10127	48.1
135.08054	2.5
135.11697	42.9
135.12726	2.5
137.09602	2.5
137.13239	1.5
143.08563	10.4
145.10123	21.1
147.08057	1.5
147.11697	47.8
149.09621	3.6
149.13258	26.0
151.11174	4.6
157.10135	9.4
158.51225	1.2
159.11700	19.4
161.01286	1.2
161.09599	2.5
161.13258	36.6
161.14592	1.8
163.03932	3.1
163.11176	3.9
163.14806	8.0
165.12720	1.9
171.11716	14.2
173.13257	12.4
175.11302	3.1
175.14830	20.4
177.12735	4.5
179.14299	9.6
185.13242	12.4
187.14832	3.6
189.12775	2.9
189.16423	2.5
191.14310	1.7
194.54919	1.3
195.13956	1.1
199.14803	7.4
201.16466	1.2
203.14284	1.6
213.16432	5.0
215.17966	1.5
217.19577	4.9
221.15410	3.0
231.17461	2.6
231.21104	9.8
237.00766	1.3
241.16975	1.4
241.17366	0.8
241.19514	38.0
259.20584	93.6
264.10168	2.6
273.10770	1.5
277.21637	24.4
333.24292	12.1
351.25317	100.0
352.25363	1.4
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
53.03943	3.7
55.01876	3.2
55.05513	16.1
56.96556	5.7
57.03432	6.4
57.07061	3.9
59.05005	1.7
65.03941	2.5
67.05505	45.7
69.07074	16.4
71.04978	2.4
71.08640	8.2
73.55106	1.6
77.03960	2.0
79.05492	59.3
81.03415	2.1
81.07059	51.2
83.04979	3.2
83.08629	8.4
84.51329	1.7
85.06528	4.6
91.05479	52.5
93.07047	77.2
95.04964	6.9
95.08610	32.5
97.06543	6.2
97.10168	2.5
99.08079	7.4
103.05439	2.3
105.07032	52.5
107.08591	43.3
109.06572	1.9
109.10162	14.6
111.08068	2.3
113.09644	1.8
116.06236	1.8
117.07012	12.5
119.08585	60.7
121.10149	30.0
123.08072	1.6
123.11729	3.2
125.09644	2.4
128.06238	2.0
129.06992	8.4
131.08566	17.8
133.10133	43.1
135.11688	32.1
137.09651	2.4
139.03877	1.6
142.07791	2.2
143.08572	10.5
145.10106	16.1
147.08058	1.9
147.11690	46.1
147.12813	3.1
149.13263	20.4
151.11197	4.6
157.10121	9.7
159.11713	18.0
161.13263	38.6
163.03938	5.4
163.11153	3.7
163.14804	7.4
171.11700	11.6
173.13306	11.2
175.11159	3.3
175.14839	17.1
177.12746	4.8
179.14264	6.4
182.38081	1.6
185.01274	2.0
185.13226	12.4
187.14883	4.4
189.12762	3.0
199.14864	6.5
203.14366	2.3
213.16283	3.7
217.19496	3.4
218.99481	3.8
229.07610	2.4
231.17403	2.7
231.20999	8.4
237.00729	10.4
241.19496	34.1
255.09621	14.0
259.20569	100.0
264.10156	29.1
264.60300	6.1
273.10587	2.9
275.60941	5.2
277.21643	11.3
297.10190	2.8
333.24142	4.1
351.12778	3.6
351.21600	4.0
351.25308	80.5
363.73080	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2168
Annotation	Chalcolactone
Peak:m/z	Relative Intensity
50.59695	0.8
55.01855	1.8
55.05501	2.0
56.61576	0.8
57.03421	1.5
65.03926	0.9
67.05503	6.0
69.03427	2.9
69.07067	1.7
70.06595	1.3
71.04997	1.4
73.02908	0.9
77.03873	1.2
79.05494	8.8
81.03409	1.6
81.07052	6.8
83.04977	2.0
84.08147	1.0
85.02894	3.1
91.04976	1.3
91.05486	15.6
93.07048	13.4
95.04980	4.3
95.08612	7.7
95.51096	0.7
97.02893	1.4
97.06522	4.8
105.07034	13.5
107.04954	2.4
107.08601	11.8
109.06509	6.9
109.10138	1.4
111.08105	2.5
115.05487	0.8
117.07029	5.7
119.08585	13.9
121.06505	7.3
121.10159	3.5
123.08071	31.9
125.09604	1.0
127.03872	0.7
129.07027	4.0
131.04967	1.2
131.08554	8.6
133.06499	3.6
133.10123	6.4
135.08052	12.9
135.11641	0.9
137.05957	0.9
137.09605	2.6
139.07555	0.8
141.07014	1.1
141.09100	1.4
143.08578	5.3
145.06490	3.2
145.10114	7.3
147.04442	1.0
147.08047	17.1
147.11688	3.1
149.09627	34.8
150.05502	1.7
153.09052	1.0
155.08545	3.4
157.10143	7.1
159.08093	3.4
159.11713	7.6
161.09636	11.5
161.13252	1.3
162.05592	1.0
163.11163	2.5
165.09111	0.9
167.08528	2.1
169.10187	5.2
171.08078	2.1
171.11694	4.9
173.09615	4.7
173.13240	1.4
175.11189	4.1
177.09125	0.9
177.12750	0.8
179.08499	1.2
181.10126	2.8
183.11732	3.0
185.09622	3.2
185.13301	3.1
187.07568	1.0
187.11194	4.4
189.12759	2.2
191.07069	0.9
191.14363	0.8
193.10164	1.1
195.11757	5.6
197.09715	1.3
197.13313	1.3
199.11166	3.4
201.12746	1.7
205.12236	8.5
207.11646	1.9
209.13300	3.2
211.11168	1.8
213.12744	5.8
221.13255	1.8
223.11148	1.5
223.14928	2.8
225.12778	1.1
225.16423	2.1
227.14398	1.8
227.17891	1.1
231.13802	1.6
235.14784	1.1
237.12688	1.2
237.16341	1.9
239.14386	2.5
240.15143	0.9
241.15909	4.2
251.14183	2.1
251.18123	1.2
253.15881	2.4
255.17493	6.2
259.13129	1.0
267.17490	1.9
269.15811	3.8
269.18842	5.2
273.18457	1.2
279.17474	5.7
285.18442	3.3
287.16525	1.6
287.20093	0.7
297.18503	36.5
298.18698	1.0
315.19556	78.0
316.19968	2.1
333.20609	75.5
334.21118	2.1
351.05020	1.5
351.21686	100.0
352.21960	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2142
Annotation	4,4-Difluoropregn-5-ene-3,20-dione
Peak:m/z	Relative Intensity
55.05503	0.6
56.96547	1.1
57.03405	0.5
58.78997	0.4
59.09660	0.4
62.22823	0.3
67.05495	1.2
69.07059	1.0
69.68462	2.0
71.79441	0.4
79.05479	1.2
81.03419	0.6
81.07042	1.0
83.04971	0.7
83.08556	0.4
84.55754	0.4
91.05492	1.4
93.07040	1.1
95.04987	0.7
95.08595	1.1
105.07011	1.1
109.10148	0.6
119.08611	0.6
121.10121	0.6
123.11736	0.4
133.10136	0.7
135.08177	0.4
139.03882	0.5
143.08626	0.4
147.04364	0.4
147.89435	0.4
161.05913	0.5
161.09605	0.7
161.11980	0.4
163.03851	0.5
184.99435	0.4
212.22055	0.4
213.09833	0.5
229.07401	0.7
230.07953	0.4
234.57771	0.4
253.12923	0.6
255.09659	0.5
273.09842	0.4
333.19696	0.8
351.21420	100.0
352.21759	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2144
Annotation	4,4-Difluoropregn-5-ene-3,20-dione
Peak:m/z	Relative Intensity
55.05502	0.6
67.05520	2.0
69.07050	0.9
69.47758	1.2
69.48184	1.6
70.93933	0.4
71.08621	0.6
77.55651	0.4
79.05491	0.8
81.07043	1.4
83.85071	0.4
91.05466	1.5
93.07037	1.1
95.08610	1.0
99.08113	0.6
105.03429	0.6
105.06997	1.4
107.08591	1.0
109.10189	0.9
119.08590	1.4
121.10162	0.6
123.11700	0.5
128.18138	0.4
129.40164	0.4
131.08615	0.6
133.10164	0.7
135.11694	0.4
143.08554	0.6
145.10219	0.5
147.11646	0.9
151.11313	0.4
185.13254	0.4
240.12065	0.5
255.09001	0.5
259.20612	0.5
262.66745	0.5
277.21304	0.7
333.20493	0.5
351.21423	100.0
352.21616	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2013
Annotation	Sachaloside VII
Peak:m/z	Relative Intensity
51.84339	3.5
55.05504	13.8
56.96557	5.1
69.03417	10.0
69.07063	9.6
69.73948	4.5
69.74323	21.5
69.74685	6.5
70.06583	8.7
71.04979	17.6
72.08157	11.1
73.62167	4.0
73.83356	4.0
78.31057	3.7
79.05499	10.4
81.07056	39.9
83.08605	12.7
84.04493	13.8
84.08134	10.5
84.86729	4.3
85.02884	13.2
85.98781	3.9
86.09679	10.2
87.04459	6.1
87.07909	5.2
87.53484	4.1
91.05474	10.4
93.07043	26.1
95.04974	7.2
95.08584	10.0
97.06538	9.0
98.97601	7.9
105.07027	10.3
105.62881	4.1
107.08595	20.3
109.10169	8.5
110.07105	5.4
112.07595	4.3
116.98594	6.7
119.08566	10.1
120.08118	4.9
121.06513	5.3
122.02697	17.3
124.02292	11.6
130.04991	4.5
135.11743	22.5
136.07539	4.1
139.03899	6.1
145.02834	15.3
145.10130	4.7
149.05833	4.5
153.12750	97.9
155.10677	9.0
157.10132	8.2
170.08173	8.8
177.05460	25.9
182.08138	14.5
183.11728	4.8
193.10065	4.7
195.08745	17.8
200.09355	6.6
204.08467	5.4
205.08871	5.7
205.12268	5.7
212.13696	8.0
215.11801	16.5
219.11482	7.6
222.11792	4.7
225.12779	6.9
242.10396	12.6
256.11984	4.9
260.11490	5.5
297.12335	5.9
315.13315	14.9
315.16336	6.4
333.14313	14.5
351.04974	13.6
351.10593	31.2
351.15372	100.0
351.19727	5.1
351.21890	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	351.2011
Annotation	Unknow
Peak:m/z	Relative Intensity
51.25145	4.3
55.05507	14.5
56.96570	12.0
57.03425	4.0
59.84287	5.0
63.58296	4.5
65.61812	4.8
67.05510	7.1
68.99780	4.6
69.03436	4.5
69.07072	11.4
69.90385	14.0
70.06589	14.3
71.04992	19.2
71.14197	4.3
72.08135	11.8
75.02682	3.8
77.18314	5.1
79.05506	13.3
81.07056	32.1
83.08630	9.1
84.04508	8.3
84.08137	6.3
85.02909	7.3
86.09696	8.8
89.03919	7.3
91.05471	10.8
93.07043	18.3
95.04956	6.2
95.08625	5.9
97.06559	9.5
98.20759	4.8
98.97585	14.0
107.08595	17.1
109.10118	5.5
111.04373	5.5
117.03368	16.8
119.04911	5.5
119.08570	6.8
120.08135	6.4
122.02728	10.2
122.06026	5.3
123.04449	22.5
124.02275	8.0
124.04766	7.9
124.07582	5.7
127.03917	15.7
131.08563	5.8
135.04379	6.0
135.11685	19.6
136.07526	7.1
138.09985	5.1
139.03905	36.9
140.04250	8.4
145.02856	51.4
147.04405	13.9
149.05936	9.4
153.12749	87.2
157.13382	7.7
159.11407	6.1
163.03915	9.8
170.08104	24.2
177.05481	73.8
179.00160	7.6
182.08084	30.3
195.11697	5.1
197.01241	12.2
205.08873	7.8
221.05956	6.1
233.52975	5.7
237.00603	6.5
242.53503	5.1
247.05940	9.2
247.09976	5.3
251.54170	5.6
255.36415	4.5
255.54294	4.8
269.19006	6.9
277.05020	8.7
287.20187	4.7
289.15024	5.5
295.06006	12.5
297.18344	13.0
309.55368	10.5
315.19299	7.1
323.05518	13.6
333.14191	6.9
351.04993	100.0
351.11160	16.5
351.15375	8.5
351.18933	49.6
351.22012	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	351.1932
Annotation	Unknow
Peak:m/z	Relative Intensity
51.07640	1.8
53.03946	5.6
55.01859	1.9
55.05507	14.0
56.96566	19.6
57.03428	5.4
61.41373	1.9
65.03951	2.0
66.15829	2.2
67.05501	41.3
68.57503	1.8
69.07067	14.6
70.64187	5.8
71.04973	2.5
71.08626	3.7
71.95273	2.3
79.05494	51.8
81.07058	42.8
83.04963	2.1
83.08611	8.7
85.06538	2.3
91.05479	56.9
93.07043	78.5
93.07637	4.0
95.04972	6.5
95.08608	31.9
97.06542	4.4
97.10146	2.2
98.30018	1.7
99.08071	3.7
105.07025	59.9
107.05000	2.8
107.08599	41.7
109.06526	4.0
109.10159	14.2
111.08049	2.1
117.07010	14.8
119.08584	58.7
121.10130	32.6
123.08057	3.5
123.11732	4.1
129.06989	8.9
131.08560	23.6
133.10126	48.0
135.08047	3.4
135.11678	36.9
143.08554	9.2
145.10104	20.6
147.11687	40.2
149.09639	2.9
149.13257	19.8
151.11201	2.4
155.98778	2.0
157.10156	7.1
159.11676	18.7
161.13257	38.1
163.11151	3.7
163.14809	3.8
165.12735	3.4
171.03275	2.5
171.11705	15.1
173.13245	10.9
175.14772	11.8
183.03281	2.3
185.13287	13.0
187.14861	4.2
199.06490	4.9
199.14784	7.0
201.16431	2.4
213.16406	4.2
217.07428	4.2
225.07982	3.6
229.07462	4.4
231.09079	3.1
231.17587	2.3
231.21098	6.4
237.07961	3.0
241.19496	32.2
255.08961	10.8
259.20566	100.0
267.09100	3.7
269.10590	7.9
273.10107	6.8
277.21661	5.3
278.10559	2.3
285.10144	6.4
333.17245	19.1
333.24191	3.3
351.18668	47.3
351.25302	71.0
361.82318	2.0
369.19611	18.6
374.20166	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	351.1407
Annotation	Unknow
Peak:m/z	Relative Intensity
51.11310	0.4
54.29847	0.4
56.05038	2.2
64.84045	0.4
67.05511	0.8
69.68338	2.2
74.70383	0.5
79.05505	0.7
82.06584	3.2
84.08145	100.0
91.05495	0.8
93.07027	1.3
95.08606	1.3
95.34120	0.4
98.20635	0.5
101.04244	25.5
104.98288	0.6
106.03951	0.5
106.42195	0.5
110.06023	0.8
112.07605	0.4
121.06550	1.0
125.04202	0.8
127.05734	2.5
128.07080	0.5
129.10283	1.3
130.08633	7.2
130.09518	0.8
145.02834	0.8
147.11293	1.5
159.02992	1.8
159.04300	0.9
163.03928	1.9
177.04034	21.9
177.05275	0.8
182.08160	0.5
187.02489	1.8
189.03563	0.5
205.03532	6.5
206.15364	0.7
250.93518	0.5
270.09793	4.3
288.10870	23.1
305.13507	0.8
333.13156	3.0
350.24448	0.4
351.14072	70.1
352.14542	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.119
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.0
57.03424	0.6
57.58237	0.6
63.32098	0.5
65.03948	5.1
67.05511	32.3
69.03435	1.5
69.07076	1.4
70.06608	0.9
70.72208	0.6
70.84280	1.6
73.90067	0.6
79.05495	1.9
80.05023	1.3
80.44180	0.5
81.07068	2.2
82.06584	1.2
83.04960	0.8
84.08154	2.0
87.49391	0.5
91.05476	4.8
92.04998	2.6
93.07059	3.1
94.06595	2.9
95.04980	9.4
97.02894	0.6
97.06553	0.6
105.07025	2.5
107.04903	0.7
107.08589	1.1
108.04459	0.9
109.06519	0.7
110.06047	1.1
111.08090	2.7
117.07053	3.4
119.08601	2.2
120.04519	1.3
121.02836	0.8
121.05288	0.9
121.06503	0.8
121.10146	0.9
122.06056	9.6
123.04461	0.9
124.07581	0.8
128.06273	0.8
129.07013	1.1
131.04948	1.0
131.08583	6.5
133.10118	1.5
133.96472	0.8
135.08086	6.1
138.05513	40.0
139.03917	1.1
140.07074	8.8
141.07060	1.5
143.08569	2.2
145.02885	1.4
145.06531	1.4
145.10132	3.8
147.04381	1.0
147.08067	5.5
148.04012	1.4
149.09615	2.4
150.05515	100.0
154.07747	0.6
157.10120	1.4
159.08078	2.2
159.11716	10.0
160.11189	0.7
161.09676	1.4
163.03868	0.8
166.05011	18.9
168.06612	0.8
169.10158	2.6
173.09634	1.5
176.03429	4.6
177.05504	2.0
179.10634	1.1
183.11684	0.6
187.11176	4.1
194.04498	3.4
203.14630	0.7
205.12245	20.7
216.10303	0.6
225.16472	0.8
226.08601	0.9
231.02866	1.4
242.53549	0.9
244.09651	1.1
272.09207	1.2
297.18625	1.9
301.11722	0.7
315.09738	5.7
315.19611	6.5
319.12811	1.3
333.10886	1.7
333.20599	12.7
351.05099	0.8
351.11972	2.0
351.21683	33.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	350.2175
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	3.1
56.96565	1.5
60.04528	1.9
69.03413	1.7
69.07053	2.4
69.44315	8.0
70.06585	2.3
71.05004	11.0
72.02406	1.4
73.06548	4.2
74.00646	1.5
76.64190	1.3
79.05473	4.5
81.03410	1.9
81.07065	18.4
83.04946	1.7
85.02892	3.9
91.04904	2.1
91.05483	39.1
93.07033	12.2
95.04984	1.4
95.08591	3.5
97.02888	2.5
97.06545	1.6
98.97570	4.1
105.07026	3.4
106.70531	1.5
107.08581	9.6
108.12324	1.4
109.10172	2.8
117.03365	2.7
118.52046	1.2
119.08553	1.5
120.01157	3.6
121.06543	8.7
121.07239	1.5
123.04417	2.0
124.79622	1.3
131.08546	1.7
135.11703	18.7
145.02792	1.8
145.10147	1.8
147.04414	5.1
147.11708	1.9
153.12749	100.0
157.09982	1.6
163.03883	2.2
177.05449	3.3
259.13284	2.1
265.02451	1.5
298.47641	1.5
306.20624	4.7
332.18997	1.3
350.10699	4.2
350.19843	7.9
350.23938	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	349.2737
Annotation	Aglatomin A
Peak:m/z	Relative Intensity
55.01844	0.7
55.05516	4.1
57.07066	1.5
67.05511	3.4
69.06728	0.9
69.07072	9.9
71.04991	1.5
79.05505	3.0
81.07066	7.0
83.04996	0.7
83.08612	3.6
85.10226	0.4
91.05473	1.5
92.02455	0.4
93.07056	3.7
95.08610	6.3
97.06551	1.2
97.10192	0.9
98.43892	0.5
100.36086	0.4
105.07026	2.6
107.08601	4.4
109.06519	9.6
109.10148	2.8
111.08076	1.5
117.07033	0.4
119.08595	3.1
121.06527	0.5
121.10145	2.8
122.07276	0.7
123.08075	59.1
123.11697	1.7
133.10129	2.0
135.08072	3.9
135.11684	1.8
137.09639	4.6
137.13263	0.7
145.10164	0.6
147.11673	1.1
149.09598	1.3
149.13240	2.1
159.11710	1.3
161.13248	1.5
163.11259	0.6
165.12846	0.5
173.13327	0.6
179.14313	6.2
180.20770	0.5
198.16533	0.5
198.59427	0.5
233.19046	0.8
262.46304	0.5
275.20065	2.3
289.25262	0.7
293.21124	16.8
307.22385	0.5
331.26328	2.9
349.27390	100.0
350.27710	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	350.1443
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00908	1.7
55.01880	2.2
56.96559	5.5
57.03411	1.9
61.02924	2.6
65.03935	6.6
68.99776	3.5
69.03426	6.1
70.06585	6.3
71.52190	2.2
83.04975	4.0
85.02911	14.5
85.46006	1.4
89.03915	2.9
92.27133	1.6
93.03418	4.4
93.07007	1.9
97.02892	7.1
98.97575	3.9
109.02856	2.0
111.04440	28.6
116.98557	2.6
117.03381	3.4
117.74114	1.4
121.03979	2.2
121.06501	5.9
123.04433	6.7
127.03922	6.0
131.51628	1.8
131.96715	7.6
135.04424	5.6
136.06155	3.1
138.09137	2.0
139.03911	81.2
139.31548	1.5
143.00163	2.8
145.02876	3.4
145.04883	1.8
156.04181	2.6
160.25621	1.5
161.01276	1.9
163.03923	24.9
171.06540	100.0
179.00165	3.1
189.00616	2.0
197.01228	2.7
209.01244	2.1
218.35869	1.8
237.00623	2.4
237.02809	2.0
242.03331	3.3
246.03868	2.1
251.04022	2.8
255.04105	4.2
309.05057	1.8
327.06265	2.7
350.05716	2.2
350.09302	12.9
350.15222	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	349.2739
Annotation	Aglatomin A
Peak:m/z	Relative Intensity
53.93079	0.5
55.05510	2.5
57.07076	3.6
57.44338	0.6
67.05505	4.7
69.03387	0.6
69.07072	6.0
69.41825	2.5
69.42230	1.1
71.04975	1.1
71.08607	1.4
73.06576	0.7
79.05492	3.5
81.07058	7.1
83.04966	0.5
83.08620	2.3
85.06541	1.0
91.05491	2.8
91.45727	0.5
93.07037	4.6
95.04983	1.4
95.08613	7.1
97.06519	1.3
97.10139	0.8
99.08076	0.9
101.23737	0.5
105.07019	3.2
107.08584	4.5
109.06513	12.4
109.10182	3.5
111.08086	1.9
117.07049	0.7
119.08566	3.5
121.06560	0.7
121.10154	3.9
122.07297	1.0
123.08071	45.7
123.11703	1.5
123.95927	0.5
131.08577	0.9
133.10144	2.3
135.08051	3.4
135.11664	1.4
137.09604	2.2
143.08604	0.8
145.10117	2.1
147.11668	1.4
149.09633	1.3
149.13203	1.1
157.10158	0.8
159.11728	1.3
161.13324	0.7
165.12851	0.9
173.13213	1.1
175.14848	0.7
177.12766	0.8
179.14311	49.1
193.15880	1.4
209.13405	0.7
217.98021	0.5
233.18903	0.7
268.18759	0.5
275.20023	1.4
281.21353	0.6
293.21121	9.8
307.22961	0.6
331.26169	2.5
343.38647	0.6
349.27386	100.0
350.27933	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2738
Annotation	Aglatomin A
Peak:m/z	Relative Intensity
52.02811	0.5
55.01855	0.6
55.05513	3.9
57.03433	0.7
57.07074	0.9
59.00141	0.4
64.07067	0.4
67.05505	3.0
69.07069	7.9
70.76062	1.1
71.04978	1.0
71.08625	0.6
73.06558	0.5
74.99469	0.4
79.05488	3.0
81.07055	6.4
83.04968	0.7
83.08618	3.1
85.06551	0.8
86.60038	0.4
91.05487	1.6
93.07054	3.9
95.08609	6.3
97.06531	1.8
97.10168	0.9
105.07029	1.9
107.08607	4.0
109.06521	8.4
109.10168	3.2
111.08086	1.5
119.08609	2.5
121.06503	0.5
121.10159	2.8
122.07298	0.7
123.08068	53.1
123.11678	1.2
131.08583	0.9
133.10123	2.7
135.08035	4.2
135.11691	1.4
137.09627	3.3
137.13220	0.4
145.10121	1.0
147.11647	1.8
149.09607	1.3
149.13252	1.4
159.11691	0.7
161.13264	1.2
173.13240	0.5
177.12834	0.5
179.14314	14.8
179.15845	0.9
233.19044	0.7
260.23114	0.5
271.40457	0.5
275.20050	2.2
289.25311	0.5
293.21097	14.1
307.22687	0.7
313.25049	0.6
331.26340	3.0
349.27371	100.0
350.27670	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2736
Annotation	Aglatomin A
Peak:m/z	Relative Intensity
50.92203	0.3
51.59754	0.3
53.03928	0.4
55.05515	2.0
57.07076	4.5
57.07349	0.5
59.05525	0.3
67.05505	3.1
69.07067	3.0
69.68301	0.6
69.68719	0.9
71.04971	0.4
71.08630	2.5
77.03882	0.3
79.05492	3.1
81.06585	0.4
81.07056	5.9
83.04984	0.5
83.08595	0.9
85.06547	2.8
91.05478	2.0
93.07046	3.4
95.04964	0.8
95.08602	6.0
97.06537	0.7
97.10144	0.5
98.21466	0.4
99.08077	1.1
105.07028	4.0
107.04923	0.3
107.08591	3.2
109.06516	17.8
109.10154	3.4
111.08071	0.9
117.06985	0.6
119.08565	3.5
121.06506	0.4
121.10137	3.4
122.07277	1.7
123.08065	24.3
123.11691	1.2
131.08582	1.5
133.10127	3.2
135.08044	3.2
135.11688	0.9
137.09607	0.6
137.65692	0.3
142.07733	0.5
143.08548	1.2
145.10126	2.0
147.11687	1.4
149.09604	0.7
151.14848	0.3
156.09276	0.5
157.10103	1.2
159.11702	1.2
161.09669	0.6
161.13275	0.8
163.11147	0.4
165.12740	0.6
167.14368	0.8
169.10135	0.4
171.11674	0.8
173.13284	0.9
175.14792	0.7
177.16530	0.3
179.14304	100.0
180.14653	1.2
183.11720	0.4
187.14795	0.7
193.15831	2.5
195.11787	0.4
197.13324	0.6
209.13252	0.8
211.14772	0.4
213.12943	0.3
233.18980	0.4
253.16002	0.3
277.03870	0.3
289.25238	0.4
293.21112	0.6
299.12564	0.3
324.76074	0.3
331.26257	2.3
349.27393	89.5
350.27621	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2736
Annotation	Aglatomin A
Peak:m/z	Relative Intensity
54.31361	0.2
55.05515	1.6
57.06833	0.3
57.07079	4.3
65.92461	0.3
67.05507	2.8
69.07073	2.6
70.91032	0.6
71.04959	0.5
71.08637	2.6
79.05504	2.2
81.07054	5.1
83.08617	0.9
85.06535	2.5
89.05393	0.2
91.05503	1.5
93.07047	2.2
95.04975	0.4
95.08614	4.8
97.06519	0.8
97.10172	0.4
99.08108	1.6
105.07021	2.2
107.08610	2.5
109.06520	17.5
109.10155	1.4
111.08060	0.8
117.07033	0.4
119.08580	1.7
121.06551	0.4
121.10157	1.5
122.07314	1.6
123.08071	24.5
123.11694	0.5
131.08536	0.3
133.10126	1.2
135.08058	2.9
135.11644	0.3
136.08836	0.3
137.09615	0.6
139.46048	0.3
145.10135	0.6
147.11674	0.8
149.09641	0.5
149.13255	0.3
159.11647	0.4
161.13206	0.5
163.11151	0.4
165.12750	0.8
167.14378	0.5
175.14879	0.3
179.14314	100.0
180.14635	1.3
189.16379	0.3
193.15877	3.0
233.19012	0.5
275.20074	0.3
289.25168	0.5
293.21124	0.3
331.26361	2.2
349.27377	88.8
350.27875	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2525
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	7.3
55.05518	20.6
57.07067	6.8
65.03942	4.0
67.05499	37.8
69.03403	6.3
69.07063	27.8
71.04996	7.4
71.08631	5.2
79.05118	4.3
79.05499	41.9
81.07064	56.9
83.05000	3.9
83.08602	9.6
87.15534	3.9
91.05486	58.7
93.07053	81.7
93.90402	3.8
95.04968	25.3
95.08605	58.4
97.06517	14.3
103.05491	3.9
105.07030	100.0
107.08601	63.4
109.06513	24.3
109.10154	53.6
115.05444	4.9
117.07017	21.9
119.08581	91.6
121.06475	11.3
121.09332	6.1
121.10151	91.7
123.08064	32.0
123.11688	16.3
128.06186	6.2
129.06975	20.4
130.07779	8.1
131.08563	65.9
133.10130	60.7
135.08034	15.1
135.11687	22.6
137.09615	6.4
141.07022	4.8
142.07788	18.1
143.08571	35.6
144.09305	12.3
145.10130	62.9
147.08009	11.6
147.11650	22.7
149.09613	12.0
149.13257	7.3
155.08574	15.0
156.09348	10.8
157.10141	50.5
158.10928	4.8
159.08116	6.1
159.11711	29.0
159.83560	3.7
161.09642	27.9
161.13232	16.5
167.08537	4.2
169.10092	22.5
170.10928	5.5
171.11649	20.8
173.13283	20.0
175.11151	6.2
175.14821	13.4
179.08556	8.1
179.14317	44.9
181.10103	12.6
182.10892	8.1
183.11678	18.9
184.12518	4.5
185.09563	5.0
185.13252	15.4
187.11069	5.0
187.14835	24.1
189.12675	4.8
193.09988	5.2
194.10983	8.1
195.11661	16.5
197.13261	18.8
198.13974	4.5
199.14815	14.1
207.83804	3.8
209.13187	24.9
210.14066	5.3
211.14804	11.6
213.16411	5.3
220.17751	3.9
221.13324	5.3
221.19879	3.6
223.14772	10.9
227.14322	11.2
239.17862	5.8
251.17865	4.6
253.19557	7.3
255.17429	5.4
265.19424	7.2
281.07040	3.5
293.18591	5.2
293.21484	5.0
311.95642	3.9
331.23944	5.3
349.20004	6.1
349.24969	40.5
349.27521	42.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2527
Annotation	Unknow
Peak:m/z	Relative Intensity
52.64870	3.5
53.03931	6.0
55.01848	4.5
55.05512	17.5
57.07058	9.0
65.03945	3.9
67.05507	39.2
69.07070	23.7
70.19520	13.1
71.04970	11.5
79.05135	3.4
79.05499	37.4
81.07061	56.1
83.08594	11.3
89.02706	3.8
91.05486	49.8
93.07050	73.8
95.04961	23.6
95.08609	56.2
95.48522	3.7
97.06518	13.2
99.08066	4.1
103.05447	5.8
105.07032	100.0
107.08601	58.1
109.06521	29.3
109.10150	42.8
111.08085	7.5
115.05431	6.0
117.06998	17.5
119.08576	83.1
121.06482	9.5
121.10156	84.5
123.08070	60.6
123.11711	14.9
128.06186	8.0
129.06987	14.3
130.07809	8.5
131.08566	43.8
133.10138	47.3
135.08096	17.8
135.11674	21.2
141.06976	6.8
142.07762	15.0
143.08563	38.7
144.09358	6.5
145.06363	4.2
145.10141	62.5
147.08061	4.9
147.11674	19.7
149.09618	11.9
149.13266	4.7
153.07027	4.2
153.90852	4.2
155.08539	9.0
156.09351	8.1
157.10120	41.2
159.11693	27.3
161.08369	4.6
161.09521	21.0
161.13272	13.9
167.08484	4.7
169.10167	18.1
170.10890	7.2
171.08047	6.4
171.11746	19.3
173.09633	4.9
173.13266	17.8
175.11279	3.8
175.14822	14.0
179.08516	11.3
179.14305	75.9
181.10144	8.1
183.11693	16.0
185.09688	5.3
185.13303	13.0
187.11079	6.2
187.14771	23.0
189.12744	6.0
193.10158	4.5
194.10887	6.8
195.11697	10.6
197.13268	13.4
199.14766	10.1
204.65094	4.1
208.12286	4.2
209.13275	23.2
211.14778	8.0
223.14810	6.7
225.16307	6.0
227.14337	8.8
237.16309	3.7
239.17947	7.2
251.18019	4.7
253.19481	4.7
265.19431	7.0
267.21078	4.8
275.20352	4.3
293.21182	11.1
321.25555	4.3
349.27203	87.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2375
Annotation	17alpha,21-Dihydroxypregnenolone
Peak:m/z	Relative Intensity
53.03952	0.8
55.01859	0.9
55.05504	2.7
56.96548	1.8
57.03438	1.3
57.07060	1.7
61.04026	1.4
61.89496	0.9
67.05510	6.8
69.03419	1.2
69.07063	2.7
69.19147	5.1
69.19574	3.4
71.04977	1.8
72.08162	1.5
72.78249	0.8
77.40466	0.8
78.04745	0.9
78.25344	0.8
79.05502	7.8
81.03411	1.6
81.07063	11.9
83.04981	1.2
83.08616	2.0
85.02897	2.1
85.06536	3.3
91.05487	7.5
93.07042	12.0
95.04991	1.4
95.08610	11.2
97.02892	3.9
97.06507	2.8
98.97571	1.0
99.04449	1.1
105.07034	12.8
107.08614	10.8
109.02878	1.7
109.06544	1.8
109.10166	7.5
111.08061	1.6
117.03381	0.9
117.07014	4.0
119.08585	12.1
121.02907	1.1
121.06479	2.1
121.10177	4.2
123.08067	1.9
123.11707	1.2
126.99419	0.8
127.03888	1.3
127.11184	1.2
128.06242	1.0
129.07001	3.6
131.08560	11.7
133.10115	8.4
135.08060	1.6
135.11722	2.8
136.32274	0.8
137.02313	1.1
137.09599	1.4
141.07010	1.6
142.07742	1.1
143.08580	11.1
145.02890	2.0
145.10130	13.8
147.04430	1.3
147.08057	1.4
147.11708	7.8
149.09642	1.2
149.13303	1.4
151.03908	1.3
155.08542	5.8
156.09305	0.9
157.10138	11.8
159.08058	1.4
159.11694	13.1
161.09659	1.0
161.13255	3.6
163.03943	1.0
163.07538	1.1
169.10132	9.3
171.11679	7.4
173.13300	9.8
175.14757	1.2
177.05469	3.1
177.12756	1.0
183.11653	4.7
185.13223	9.6
187.11078	1.0
187.14818	6.5
189.12698	1.1
191.14331	1.7
197.09908	0.9
197.13278	8.6
199.14838	3.0
203.14334	9.3
203.75128	0.9
205.15868	1.1
207.06549	1.4
211.14844	6.6
213.16441	4.1
215.14267	2.5
217.15874	3.2
223.14713	1.1
225.16360	6.0
227.17947	1.0
229.15652	1.0
241.19525	2.5
243.17401	1.3
243.21065	2.7
253.19522	29.5
255.21188	2.5
257.15408	1.3
271.20575	100.0
272.21011	1.8
273.22119	10.2
281.18967	1.7
289.16513	1.1
289.21600	8.5
295.16992	1.2
299.19904	4.5
313.18179	1.8
313.21613	4.1
317.21146	2.5
319.12634	0.9
331.19083	1.7
331.22665	17.6
349.16251	1.6
349.20111	3.5
349.24060	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	349.2375
Annotation	Unknow
Peak:m/z	Relative Intensity
52.06223	2.9
53.03957	12.6
55.01882	19.3
55.05275	4.1
55.05517	55.9
56.96561	5.0
57.03442	22.6
57.07075	4.2
65.03957	3.6
66.58718	2.5
67.05511	91.0
69.03427	5.7
69.06736	3.6
69.07076	60.5
69.36549	18.7
71.04994	7.4
77.03889	2.7
79.05499	100.0
81.03434	19.3
81.07064	98.5
83.04990	32.2
83.08622	21.0
85.06542	4.0
85.73539	2.8
91.05489	82.5
93.07053	99.4
93.07639	5.2
95.01333	15.2
95.04994	19.1
95.08611	67.1
97.02889	3.6
97.06536	26.3
97.10183	14.1
98.21538	4.6
103.05481	3.8
105.04578	4.7
105.07040	93.2
107.04964	45.5
107.08610	74.8
109.06516	14.2
109.10172	34.4
111.08076	10.2
113.09647	2.9
116.96061	3.1
117.07031	27.9
119.07805	5.1
119.08592	62.8
121.06502	9.0
121.10165	34.9
123.08081	15.8
123.11723	13.6
125.09623	18.9
128.90569	2.8
129.07011	12.2
130.07776	2.9
131.08569	45.3
133.06525	4.8
133.10141	57.6
135.08086	15.2
135.11696	18.6
137.09637	4.8
137.13269	3.3
139.07520	4.2
141.07001	5.0
142.07744	4.1
143.08594	13.6
145.06450	5.2
145.10138	45.6
147.08107	4.6
147.11702	29.2
149.09630	35.1
149.13239	18.1
151.11172	4.2
155.08554	6.3
157.10117	18.5
159.08089	4.6
159.11702	47.1
161.13206	13.3
163.11169	5.5
163.14781	8.4
165.09119	4.3
169.10176	14.7
169.12250	4.4
171.10300	3.9
171.11667	13.4
173.11792	6.0
173.13272	17.3
174.99234	2.7
175.14857	6.7
177.12785	3.4
177.16412	3.6
179.14336	34.9
183.11685	15.6
185.13280	8.3
187.11211	6.2
187.13344	3.1
187.14838	24.3
189.11249	10.2
189.12782	3.3
191.14330	4.0
197.13254	10.3
199.14825	11.9
201.16409	5.8
209.15350	4.1
211.14853	10.0
213.16446	6.0
215.17960	3.4
225.16388	10.2
227.17967	4.9
229.19490	7.5
237.16325	2.9
239.17944	14.9
241.19673	3.4
243.09036	3.3
247.20667	6.2
253.19534	14.3
254.94707	3.9
255.09081	4.1
257.18939	14.2
267.21060	4.8
268.96863	2.8
275.20090	94.3
279.21024	4.0
291.19727	3.0
293.21484	2.9
331.15695	3.5
349.13199	5.2
349.16776	8.3
349.19830	14.7
349.23740	91.9
349.28717	81.9
350.23386	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	349.2373
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	12.8
55.01870	9.6
55.05522	33.3
56.96571	15.0
57.03437	50.4
57.07090	5.7
61.02937	4.6
65.03973	4.6
67.05509	79.4
69.07076	54.3
71.04983	5.0
71.52126	3.7
71.52563	6.1
73.02886	5.4
79.05498	87.3
80.92806	4.0
81.03412	25.1
81.07060	100.0
83.04992	13.3
83.08620	20.6
85.02908	6.5
85.06563	11.3
86.99458	3.8
88.10052	3.9
88.53279	4.0
91.05489	97.2
93.07053	85.2
95.01333	16.8
95.04972	17.8
95.08606	69.5
97.02906	8.2
97.06573	20.7
99.04453	8.1
105.07040	95.6
107.04930	21.9
107.08595	57.7
109.06543	21.7
109.10173	22.1
111.08102	8.9
117.07048	23.9
119.08586	67.2
121.06556	9.6
121.10152	33.6
123.08057	20.9
123.11734	9.8
125.09695	4.9
129.07025	6.0
131.08553	44.5
133.10130	57.3
135.08051	9.3
135.11682	20.7
137.09671	5.6
141.06996	6.9
143.08586	16.4
145.06468	5.7
145.10123	45.3
147.11667	28.3
149.09613	13.2
149.13277	15.2
155.08524	9.4
157.10178	20.7
159.11699	43.3
161.13283	18.6
163.11215	11.1
165.12845	5.9
169.10138	10.4
171.11705	10.4
173.13261	15.9
175.14868	9.3
177.12778	8.4
179.14365	32.0
183.11732	6.3
185.13303	10.3
187.14848	12.0
196.64018	3.7
197.13298	13.3
199.14888	12.8
201.16377	14.4
211.14951	10.0
213.16508	6.8
219.17459	83.4
225.16370	11.5
227.17905	7.2
239.18025	13.6
241.19626	4.9
247.20473	5.2
253.19484	21.4
254.94571	8.1
257.18985	10.8
267.21262	5.1
275.20062	75.2
275.22806	6.6
279.21121	6.1
293.20795	5.2
321.37732	5.4
331.19055	5.9
349.20047	7.2
349.23712	82.6
349.28458	56.9
349.33527	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	349.2375
Annotation	Topsentolide C1
Peak:m/z	Relative Intensity
53.03952	12.3
55.01878	19.4
55.05516	33.1
56.96567	15.1
57.03445	25.8
57.07058	2.4
65.03940	2.5
67.05507	78.6
69.03429	3.7
69.07075	71.1
70.46616	7.1
71.04989	5.8
79.05498	73.0
81.03423	27.0
81.07061	90.8
83.04977	15.4
83.08628	13.4
84.36713	2.0
85.02885	4.4
85.06526	5.7
88.55716	2.1
91.05485	84.9
93.07050	70.9
95.01328	20.7
95.04969	21.8
95.08613	59.4
97.02006	1.9
97.02871	3.5
97.06538	31.3
97.10162	11.9
98.97564	4.5
99.08076	4.3
103.05482	3.6
105.03424	2.3
105.04500	2.8
105.07035	100.0
107.04967	40.7
107.08601	39.5
109.06499	10.8
109.10168	27.6
111.04433	3.1
111.08050	6.1
113.09683	2.4
117.07022	27.3
119.08583	63.4
121.06499	9.1
121.10149	21.5
123.04426	5.7
123.08089	14.8
123.11700	6.7
125.09612	7.2
128.98586	3.3
129.06973	6.0
131.08574	40.1
133.06549	4.6
133.10133	64.8
135.08081	9.8
135.11694	19.4
137.09613	7.1
137.13217	2.0
139.03891	3.0
139.07582	3.4
141.06998	5.4
143.08578	9.8
145.06453	8.8
145.10127	35.9
147.08032	5.1
147.11713	30.6
149.09642	23.0
149.13281	10.5
151.11169	5.4
155.08563	5.6
157.10110	9.6
159.08020	2.5
159.11714	30.1
161.09608	3.9
161.13225	13.6
163.11194	10.6
165.09103	5.2
165.12785	2.7
169.10106	5.8
171.11635	7.7
173.13269	9.6
175.11142	4.1
175.14796	2.4
177.12737	9.7
179.10658	2.4
179.14316	37.0
183.11720	5.6
185.13159	4.8
187.11186	8.9
189.12755	4.3
189.16458	2.5
193.12183	4.5
195.13690	2.5
197.13239	6.8
199.06422	2.5
199.14952	3.2
201.12711	2.4
209.15506	2.2
213.07953	4.7
213.16443	4.1
215.14334	3.2
229.07460	6.0
229.19495	4.6
231.09062	4.7
233.15395	2.5
239.17975	4.4
241.14355	2.6
243.09055	7.0
243.17453	2.6
247.08456	3.9
247.20570	3.6
253.19521	7.0
255.08992	4.2
257.19022	13.5
261.10004	2.6
271.20535	22.8
275.20068	86.3
289.21613	23.3
293.21036	2.4
303.23135	4.1
313.18085	4.1
313.21542	2.5
331.15698	10.2
331.22650	7.7
349.16708	21.2
349.20374	4.9
349.23694	79.6
349.27417	9.0
367.17999	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2375
Annotation	17alpha,21-Dihydroxypregnenolone
Peak:m/z	Relative Intensity
51.06369	1.0
55.05513	6.5
56.96559	2.4
57.03440	1.6
57.06465	1.1
61.02929	2.1
67.05506	15.6
69.03450	1.0
69.07079	7.4
70.17396	4.5
71.05025	1.3
73.58917	1.2
79.05495	13.1
81.03451	2.4
81.07063	23.7
83.04987	1.1
83.08617	3.4
85.02921	2.1
86.45899	1.0
90.84383	1.1
91.03962	1.2
91.05487	13.8
92.34676	1.1
93.07042	18.3
95.04967	3.5
95.08613	19.0
97.02927	2.2
97.06546	3.6
97.10180	4.1
98.10480	1.1
104.10747	1.4
105.07043	20.9
107.04986	1.5
107.08592	11.9
109.06531	3.2
109.10164	38.5
110.10497	1.5
111.08086	1.9
117.07032	6.5
119.08594	12.2
121.10155	9.2
123.08060	1.8
123.11736	2.3
129.07011	3.2
131.08551	10.6
133.10133	11.9
133.53482	1.0
135.08046	2.6
135.11691	8.3
137.09621	13.0
141.07014	1.6
143.08611	5.4
145.10127	16.7
147.08063	2.1
147.11694	12.1
149.09637	2.3
149.13258	4.0
151.03893	1.2
155.08528	4.7
157.10132	9.2
159.11702	13.3
161.09621	1.2
161.13271	5.8
163.11203	2.5
169.10172	8.1
169.11523	1.4
171.11690	6.9
173.11780	2.7
173.13289	7.9
174.12096	2.6
175.11209	4.7
177.12772	2.2
180.69920	1.0
183.11713	4.5
185.13307	3.5
187.11089	1.4
187.14812	4.0
189.12787	3.9
191.14308	1.4
193.12306	9.3
197.13257	9.3
199.14883	2.2
201.12766	2.2
201.16425	1.6
203.14386	1.4
207.13766	2.1
211.14861	3.9
213.16440	4.2
215.14351	3.3
225.16431	3.7
229.15849	1.4
229.19569	2.1
233.15366	4.5
239.17851	2.2
241.19577	3.2
243.17513	1.4
243.21104	8.4
253.19539	25.1
255.08969	1.0
257.19003	6.1
259.20605	7.6
267.09088	1.8
269.12598	2.2
271.20581	100.0
272.21075	1.8
275.20068	6.7
285.10007	2.1
289.21640	48.8
299.19849	1.8
313.21637	3.4
317.17383	2.5
317.21130	50.9
319.22510	1.4
331.22641	13.6
349.19836	31.8
349.23746	42.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2373
Annotation	11beta,21-Dihydroxy-5beta-pregnane-3,20-dione
Peak:m/z	Relative Intensity
53.03938	5.3
55.01879	10.2
55.05518	23.1
56.96554	7.8
57.03218	1.6
57.03439	16.3
59.04997	3.2
59.65537	1.7
67.05184	2.6
67.05510	40.7
69.03413	4.7
69.07074	26.7
70.52113	5.9
71.04988	5.5
73.02942	3.4
76.64497	1.8
79.05496	53.6
81.03406	9.8
81.07063	44.4
83.04993	10.8
83.08618	8.6
85.02879	3.5
85.06527	3.7
91.05486	48.7
93.07044	47.9
95.04971	8.8
95.08606	28.5
97.02884	6.9
97.06543	11.7
97.10178	12.5
98.20792	2.1
98.97555	4.2
105.04582	2.6
105.07034	59.6
107.04946	12.5
107.08601	63.2
109.06510	6.3
109.10155	18.7
111.08082	4.9
116.85643	2.0
117.07040	16.2
119.08594	31.4
120.14630	1.9
121.06479	4.8
121.10136	19.1
123.08074	8.3
123.11714	2.8
125.09631	8.9
128.06157	3.1
129.07042	9.3
130.07756	3.3
131.08583	25.3
133.06430	2.1
133.10130	31.3
135.08040	7.5
135.11687	12.2
137.06049	2.2
137.09595	3.1
141.06993	3.7
143.08549	13.5
145.06398	2.1
145.10127	61.4
147.08041	2.2
147.11697	28.9
149.09616	17.8
149.13269	6.3
155.08568	4.8
157.10136	11.1
159.11693	28.9
161.09569	4.0
161.13263	7.2
163.11200	10.7
169.10139	7.5
171.10443	1.9
171.11687	11.9
173.11946	2.5
173.13206	10.3
175.11110	2.6
177.12773	1.9
179.14314	4.2
180.49895	1.9
181.06619	1.9
183.11702	9.7
185.13278	7.1
187.11293	3.0
187.14764	3.6
189.11261	7.0
193.12245	3.1
193.73906	2.1
195.11743	3.9
197.13225	8.3
199.14844	3.3
201.12868	2.5
203.14226	2.8
211.14822	5.5
213.16298	2.6
215.14244	4.7
215.17943	3.5
225.16284	2.7
229.19452	4.2
237.12799	2.5
239.17999	11.9
241.19739	4.0
247.20616	2.8
253.19519	37.7
257.18988	37.5
265.49844	2.1
267.09070	6.5
268.09406	2.9
271.20584	36.2
275.20074	43.4
285.10086	7.8
285.18042	2.1
286.10278	4.4
289.21652	11.4
299.19998	3.8
313.18179	3.3
313.21613	13.4
331.22647	13.9
338.94452	1.8
349.19821	100.0
349.23761	78.4
350.23935	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	349.2351
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	0.7
56.96562	0.5
58.73763	0.4
63.43876	0.4
64.44469	0.5
69.28427	3.8
81.07074	0.5
83.61594	0.4
93.07101	0.5
97.06533	0.4
98.21555	1.0
99.28077	0.4
100.28473	0.5
109.06540	0.7
117.62581	0.5
119.08647	0.4
123.08082	1.9
137.88170	0.5
149.93091	0.5
157.53729	0.6
174.25581	0.5
179.14299	2.1
184.07326	0.6
235.12979	0.4
240.09912	0.5
249.79228	0.4
265.25189	0.4
267.64783	0.7
304.67181	0.5
349.23526	100.0
349.27042	4.4
350.23969	1.6
369.03021	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2351
Annotation	Unknow
Peak:m/z	Relative Intensity
50.97500	0.4
54.74979	0.4
56.62891	0.4
57.07065	0.6
67.05490	0.5
67.71898	0.4
69.07081	0.7
69.77696	2.0
79.05481	0.6
81.07054	0.5
90.47559	0.5
105.07034	0.7
107.08589	0.4
109.06566	0.5
119.08604	0.5
123.08058	1.8
127.06102	0.4
145.10146	0.5
149.09526	0.4
179.14307	2.2
188.24811	0.4
191.42667	0.4
225.05386	0.4
235.13103	0.8
252.17604	0.5
349.23517	100.0
349.27151	5.0
350.23761	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2011
Annotation	Longirabdolide E
Peak:m/z	Relative Intensity
55.01866	5.0
55.05492	3.4
67.05495	9.4
69.69846	15.2
77.28671	2.7
79.05491	21.1
81.07043	7.2
91.05483	24.2
93.07058	14.6
95.08609	6.7
101.76328	2.5
105.07035	17.2
107.08598	12.8
109.10167	3.9
117.07007	7.0
119.08589	38.4
120.08115	4.1
121.06510	10.9
123.08041	3.8
129.07014	5.5
131.08569	8.6
131.96713	6.6
132.97000	4.8
133.06522	4.5
133.10149	13.1
133.96388	3.9
135.08041	12.6
143.08521	4.7
145.06487	29.5
145.10161	5.3
147.08055	100.0
149.09619	9.9
153.09058	4.8
159.08061	12.7
161.09584	20.9
163.03951	3.7
163.07532	5.6
165.09085	5.2
171.08136	6.2
173.09636	11.6
179.10701	20.0
183.07906	2.8
185.09668	8.3
187.11214	5.5
197.09483	3.9
211.11073	2.8
234.02214	3.6
237.12721	5.2
237.82582	2.7
267.17413	7.4
277.15857	11.0
285.18427	3.1
295.16840	20.9
303.19495	4.4
313.17990	65.6
331.12970	4.1
331.19043	25.1
332.19141	2.7
349.05725	7.9
349.12811	4.7
349.20187	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	349.2012
Annotation	Unknow
Peak:m/z	Relative Intensity
51.71721	1.5
53.03933	3.0
55.01852	6.3
55.05505	2.6
57.03434	3.6
59.54496	1.5
65.03927	3.7
67.00443	1.7
67.05507	17.5
69.03420	2.4
69.07051	4.6
69.90906	8.7
79.05087	2.2
79.05498	30.9
81.03419	24.1
81.07065	27.6
83.04958	6.5
85.06520	1.6
89.55151	1.8
91.05482	49.1
92.06277	2.1
93.06496	2.2
93.07051	35.0
94.04153	2.3
94.13965	1.8
95.04981	17.4
95.08612	12.7
97.02893	4.3
97.06510	4.7
104.06236	2.7
105.07037	37.5
107.04928	8.7
107.08597	25.8
109.06512	15.8
109.10147	3.8
110.07304	2.1
111.04426	2.5
115.05425	4.4
116.06284	1.9
117.07031	36.8
118.07772	4.6
119.07810	2.5
119.08585	36.1
120.09330	2.0
121.06520	33.1
121.10141	9.1
122.07254	3.0
123.08045	6.7
128.06195	6.7
129.07011	23.5
130.07727	4.9
131.04910	3.8
131.08569	40.6
132.09276	1.9
133.06522	12.3
133.10141	15.1
135.08046	12.7
135.11681	6.1
136.08777	4.8
137.09586	2.9
138.06735	3.8
141.06979	15.2
142.07722	7.5
143.07512	2.9
143.08563	32.8
144.09363	8.1
145.06500	17.5
145.09103	2.2
145.10121	27.6
146.07272	3.0
146.10893	2.1
147.08066	22.1
147.11688	9.1
148.08835	12.7
149.05972	11.4
149.09612	9.1
150.06786	1.8
151.07516	3.4
153.06955	3.6
154.07701	3.6
155.07147	3.7
155.08531	24.6
156.09290	6.4
157.06442	2.7
157.10139	45.2
158.10847	7.7
159.08101	9.8
159.11702	29.7
160.12366	1.9
161.09669	11.2
161.13286	4.0
163.07506	8.3
163.11148	3.1
164.08354	8.5
165.06979	7.3
165.09032	2.1
166.07784	4.2
167.08595	15.0
168.09329	5.8
169.10139	23.8
170.10913	4.1
171.08046	3.8
171.11684	18.8
172.12389	3.7
173.09584	7.5
173.13179	6.2
174.10477	2.2
175.11122	7.9
177.05380	2.1
178.07782	2.6
179.08571	11.8
180.09225	1.8
181.08603	2.4
181.10101	21.7
182.10847	3.1
183.08049	3.7
183.11700	24.6
184.12465	2.7
185.09599	5.3
185.13242	12.7
186.14009	2.5
187.11162	9.9
187.14801	12.3
189.12770	13.3
193.10066	9.0
194.10724	1.9
195.07977	2.9
195.11697	21.8
196.12381	5.6
197.09520	6.6
197.11568	1.6
197.13300	15.2
199.11208	2.9
199.14757	7.2
200.15518	7.2
201.12762	3.6
202.13539	2.2
203.14308	5.1
205.10132	2.4
207.11673	10.3
208.12440	2.4
209.09735	1.9
209.13281	15.2
211.11148	6.1
211.14833	10.7
213.12744	7.6
213.16309	5.6
214.13522	4.2
215.10663	2.4
215.14267	8.0
216.15063	6.6
217.16005	2.1
218.16623	6.5
219.11598	5.3
220.14426	3.2
221.13272	14.1
223.11180	5.5
223.14822	14.5
224.15538	3.1
225.12840	8.1
225.16394	3.5
227.10707	2.4
227.14240	6.6
228.15076	2.6
229.15833	5.6
233.13304	4.9
235.14767	4.6
237.12799	11.7
237.16295	5.1
238.15620	7.2
239.14326	10.7
239.17978	4.3
240.15199	4.0
241.15819	9.0
242.16707	3.8
244.14525	3.8
249.16458	4.0
251.14255	7.8
251.17838	7.8
253.15842	5.6
255.13765	6.0
255.17444	6.5
257.15240	7.8
258.16116	2.5
265.15726	4.1
267.14029	2.2
267.17404	9.9
268.14505	4.1
268.18192	10.7
269.02292	1.9
269.15302	3.4
269.19092	8.2
270.15863	2.4
271.16803	2.9
273.18448	3.8
277.15762	2.2
278.16483	2.7
279.17468	29.3
281.15332	3.3
283.16916	14.1
284.17639	3.3
285.18301	3.2
286.19284	15.6
290.06509	1.8
295.16910	4.8
296.17740	27.7
297.18506	100.0
298.18976	4.3
299.16217	2.8
301.18057	13.7
304.20349	4.7
313.18042	4.2
314.18771	30.4
315.19373	4.2
325.65854	1.9
331.18991	13.3
332.19788	4.3
349.19983	76.7
350.20377	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	349.201
Annotation	Durumhemiketalolide A
Peak:m/z	Relative Intensity
53.03933	1.9
55.05508	2.7
56.96568	1.7
57.03436	2.2
67.05505	7.5
69.07066	3.0
71.04979	1.5
74.22591	1.2
79.05505	11.8
81.03431	1.8
81.07059	10.9
83.04966	2.3
91.04984	1.7
91.05489	16.7
93.07046	14.4
94.07813	1.3
95.04964	3.2
95.08619	6.3
96.43941	1.2
97.02871	3.6
97.06510	3.4
98.97597	2.4
100.58754	1.4
104.06249	3.5
105.07039	14.1
106.07806	1.7
107.04937	2.3
107.08598	19.2
109.06532	6.7
109.10164	3.7
115.05458	2.2
117.07025	11.9
118.07806	2.2
119.08589	13.5
121.06499	6.7
121.10127	7.1
122.07284	2.0
123.08079	4.0
123.11696	1.3
124.08840	4.7
125.09702	1.7
129.07004	6.7
131.08566	14.8
133.06456	3.2
133.10162	7.9
134.07283	1.5
135.08096	6.5
135.11650	2.8
136.08777	1.8
137.09674	1.4
141.06987	5.3
142.07724	2.3
143.08557	9.9
144.09201	1.5
145.06459	4.4
145.10123	12.6
147.04343	1.9
147.08044	6.2
147.11671	3.6
148.08817	2.2
149.05984	4.6
149.09625	4.1
150.10428	3.2
151.03900	2.4
151.07526	2.4
154.07817	1.5
155.08553	10.4
156.09311	4.3
157.10141	18.3
158.10971	1.6
159.08043	3.8
159.11716	11.1
161.09642	4.3
162.10393	1.6
163.04094	1.4
163.07555	6.2
164.08350	4.2
165.07010	1.5
167.08598	2.1
168.09319	2.3
169.10101	8.3
170.10909	2.0
171.11685	5.8
173.13210	2.4
175.07536	1.4
177.09132	1.7
179.08598	2.9
180.09267	1.9
181.10172	6.6
182.10831	2.4
183.11679	7.9
185.09708	2.0
185.13235	4.6
187.11259	2.2
187.14764	2.8
189.12723	1.4
192.09305	1.8
193.10132	4.6
195.11702	6.1
196.12488	1.9
197.09697	1.5
197.13280	6.8
198.14183	1.7
199.11208	2.1
199.14780	3.6
200.76143	1.4
203.14256	2.3
207.11696	2.4
209.13286	4.2
211.14893	2.2
213.12880	1.8
213.16449	1.5
215.14272	3.0
216.15067	4.6
219.11841	2.6
221.13245	5.5
223.11226	2.0
223.14723	2.6
225.12755	2.4
225.16356	1.3
235.14685	1.6
237.12740	3.5
237.16339	2.0
239.14313	5.3
240.15038	2.1
241.15965	2.5
244.14812	1.5
249.16341	1.7
250.13472	1.8
250.17073	1.6
251.17947	1.4
253.15918	1.8
253.19495	1.8
255.13826	2.0
255.17442	3.3
257.15332	3.6
264.75552	1.3
265.15781	1.9
267.13797	1.9
267.17542	3.1
268.18292	2.1
271.17239	1.5
271.20474	5.2
273.18521	2.4
279.17346	2.7
281.15439	2.3
283.16989	1.8
285.18555	2.4
296.17746	17.6
297.18399	2.6
299.16586	1.9
301.17999	18.0
314.18759	8.1
321.20828	1.9
327.42313	1.4
331.19147	2.9
332.19815	21.8
349.20068	100.0
350.20285	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2012
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81057	0.6
55.01857	1.9
55.05494	1.4
57.03422	0.7
61.58306	0.5
67.05501	4.2
69.07085	0.9
70.77660	1.8
75.04457	0.7
79.05500	9.9
81.03448	1.4
81.07059	8.0
83.04963	1.6
85.92879	0.7
91.05484	16.7
92.06249	1.5
93.07043	13.2
94.07820	1.8
95.04964	2.4
95.08601	6.5
96.05710	1.1
97.02879	0.9
97.06530	2.3
101.42970	0.6
104.06250	2.6
105.06402	0.9
105.07035	10.8
106.07783	1.5
107.04958	2.0
107.08599	16.4
108.05735	1.4
108.09400	0.9
109.06509	5.1
109.10151	2.2
110.07298	0.8
111.04483	1.6
115.05479	1.6
117.07025	12.5
118.07811	2.9
119.08590	17.4
120.05718	0.9
120.09388	1.2
121.06512	8.0
121.10151	3.6
122.07274	1.3
123.08078	4.0
124.08856	3.9
125.09656	1.5
128.06242	1.8
129.07018	7.2
130.07738	0.9
131.08582	12.8
132.09364	1.6
133.06488	2.0
133.10124	6.6
135.08047	5.8
135.11681	1.2
136.08829	2.7
137.05991	1.0
137.09576	1.4
138.10385	0.9
139.07536	0.8
141.07010	5.5
142.07770	2.9
143.08565	11.0
144.09328	1.8
145.06490	5.0
145.10117	11.2
146.07350	0.8
146.10892	0.9
147.08052	4.3
147.11682	2.8
148.08813	3.2
149.05992	2.7
149.09607	5.4
150.10378	3.0
151.07524	1.9
151.11194	1.2
153.09047	1.4
154.07767	1.0
154.09912	0.7
155.08557	9.7
156.09364	4.3
157.08932	0.7
157.10132	18.5
158.10869	2.3
159.08037	3.9
159.11699	11.1
160.08867	0.9
161.09587	3.1
161.13257	1.2
162.10408	1.7
163.07549	5.8
163.11227	0.9
164.08333	5.9
165.07002	2.2
165.09105	0.9
166.07893	1.1
167.08586	3.2
167.10678	1.0
168.09323	2.7
169.10127	10.1
170.10916	2.3
171.08031	1.5
171.11682	5.5
172.12534	0.9
173.09641	1.5
173.13260	2.1
175.11165	1.9
177.09140	1.5
179.08607	2.9
180.09286	1.2
181.10106	6.7
182.10918	1.2
183.08020	0.9
183.11719	7.7
184.12363	1.4
185.09630	2.1
185.13249	4.7
186.10446	1.2
187.11160	2.4
187.14853	1.6
188.11951	0.9
189.12703	1.0
189.16351	1.2
190.13535	2.0
192.09526	1.4
193.10168	3.3
194.11035	1.6
195.11696	5.2
196.12544	1.2
197.09630	1.7
197.13246	6.6
198.14017	2.1
199.11183	1.1
199.14807	4.6
200.12021	0.8
201.12779	2.0
203.14301	1.7
204.09303	0.8
204.11432	0.9
205.10156	1.3
205.12111	0.9
206.10721	1.3
207.11646	3.0
208.12460	1.1
209.13210	3.2
211.11186	2.5
211.14801	3.5
212.11903	0.8
212.15451	0.7
213.12750	2.5
213.16460	1.6
214.13539	1.9
215.14400	4.9
216.15051	3.8
217.15866	2.1
218.10954	1.0
219.11714	3.4
221.13272	5.7
222.13971	0.9
223.11243	1.0
223.14854	2.0
225.12764	2.4
225.16403	1.0
227.14339	2.0
229.15686	0.7
230.16585	1.1
235.11346	1.0
235.14748	1.5
236.12029	0.9
236.15544	0.7
237.12788	4.2
237.16376	2.3
239.14345	5.6
240.15155	1.1
241.15913	3.0
242.16559	1.1
243.13806	1.3
243.17241	1.0
244.14645	1.9
247.14778	0.7
249.12802	0.9
249.16400	2.4
250.13460	1.0
250.17291	1.0
251.17970	1.0
253.15897	2.1
255.13779	0.9
255.17409	4.7
256.14783	0.8
257.15390	2.9
258.16208	1.6
259.16971	1.4
260.16162	0.8
265.15857	2.2
267.13864	1.0
267.17468	2.9
268.14758	0.9
268.18225	2.1
269.19159	0.8
273.18518	2.4
278.16537	1.8
279.17450	2.0
281.15341	1.1
283.16736	4.6
285.18451	1.3
286.19183	1.8
295.16971	1.0
296.14825	0.6
296.17734	12.6
297.18430	4.1
299.16452	2.1
301.17990	20.4
304.20291	2.0
314.18735	10.2
321.20639	1.6
324.12582	0.7
331.19095	0.8
331.29834	0.9
332.19803	24.4
349.20093	100.0
350.20297	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.201
Annotation	Japodagrin
Peak:m/z	Relative Intensity
55.01879	0.7
55.05500	0.9
57.03433	1.2
67.05500	2.6
69.07065	0.9
69.44117	2.6
69.44532	1.5
69.54314	0.5
69.62914	0.5
79.05496	4.6
81.07066	6.0
83.04980	1.3
85.06551	0.7
91.04976	0.9
91.05489	10.8
93.07050	7.0
95.04955	0.8
95.08597	5.6
97.02868	1.4
97.06519	1.3
98.35490	0.6
105.07037	8.8
107.08601	4.2
109.06488	1.5
109.10151	1.8
115.05441	0.9
117.07015	12.0
119.08596	9.3
121.06506	1.3
121.10120	1.9
123.08047	1.4
128.06248	1.1
129.07028	5.0
131.08569	8.8
133.06538	1.5
133.10156	4.9
135.08083	3.5
135.11707	1.1
137.09613	0.9
141.06984	2.4
142.07791	1.4
143.08565	7.7
145.06485	1.7
145.10123	6.0
147.08047	2.3
147.11716	3.0
149.05992	0.7
149.09639	2.1
153.06979	0.7
155.08578	4.6
157.10110	7.6
159.08047	1.6
159.11702	9.5
161.05984	1.6
161.09622	2.1
161.13289	2.2
163.07538	3.1
163.11185	0.8
165.07001	1.0
165.09084	0.8
167.08580	1.9
169.10144	5.1
171.08031	0.9
171.11694	5.4
173.05913	0.7
173.09601	1.3
173.13387	1.1
175.11188	1.2
175.95012	0.6
177.09096	1.1
179.08562	1.2
180.09441	0.8
181.10094	3.4
183.11667	2.4
184.12497	0.8
185.09543	1.1
185.13197	1.6
187.11212	1.3
187.14857	0.9
189.16292	2.6
192.09317	0.7
193.10172	2.3
195.11752	2.6
197.09619	1.0
197.13303	4.7
199.14835	7.8
205.10162	1.1
206.10782	0.8
207.11620	2.7
209.13257	1.9
211.14818	2.3
213.12782	0.6
215.10687	0.9
215.14279	0.7
217.15878	4.0
219.11598	0.9
220.12315	0.7
221.13251	3.0
223.14819	1.9
225.12787	1.3
225.16431	1.3
231.11661	1.1
235.14777	1.4
235.16936	1.2
237.12715	2.2
239.14247	3.2
239.17982	1.4
243.13910	1.1
249.12694	1.5
249.16417	3.6
253.12448	0.7
253.15735	0.9
253.19525	0.9
255.13835	2.3
257.15399	0.8
259.14673	0.8
267.14008	3.7
267.17410	6.5
271.20612	2.3
277.15829	3.3
283.16879	1.3
285.18588	1.7
295.16937	12.1
295.20120	1.2
299.20029	1.4
313.17969	3.7
317.21191	1.6
331.19040	100.0
332.19412	2.3
349.16095	1.0
349.20093	12.9
349.23563	0.8
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
52.77549	0.3
53.07930	0.4
67.05502	0.5
70.96198	0.8
71.56486	0.3
79.05477	0.7
81.07073	0.6
93.07079	0.5
95.08624	0.5
96.08131	0.6
101.43809	0.4
137.05714	1.4
157.16286	0.4
221.11510	0.6
235.12944	0.4
253.12816	0.6
335.59225	0.4
349.19858	100.0
350.20047	1.0
366.80203	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.1774
Annotation	Unknow
Peak:m/z	Relative Intensity
53.97407	4.9
55.05519	24.6
56.96564	62.0
57.03435	14.9
57.07079	5.2
67.05505	49.6
69.03398	6.2
69.07069	39.0
69.37807	43.5
71.95255	7.7
79.05486	38.4
81.07053	55.1
83.04986	10.3
83.08607	10.9
85.06532	6.2
91.05469	35.6
93.07041	49.6
95.04966	16.3
95.08599	35.0
97.06509	7.1
97.10160	6.0
98.21532	9.9
105.07051	38.6
107.04969	12.0
107.08594	39.0
109.06510	15.0
109.10150	18.9
110.97559	10.0
117.07053	10.9
119.08581	25.8
121.06504	12.8
121.10138	19.8
121.20834	5.1
123.08061	12.5
128.98598	13.3
131.08548	20.1
133.10114	27.3
135.11688	11.7
139.00719	5.1
139.03835	7.0
142.99974	5.6
145.10109	16.4
147.11676	16.7
149.09642	13.3
149.13295	7.9
151.00607	5.3
151.70670	5.3
153.02374	6.6
155.47412	5.1
159.11688	19.5
161.09595	7.0
171.03300	8.4
172.05351	5.1
173.13301	10.2
179.14326	16.1
181.05507	5.6
185.04858	10.6
189.04384	7.3
199.06471	11.0
203.05937	8.0
207.13849	6.8
211.06329	5.9
213.07983	8.7
217.07559	7.1
225.07872	8.4
229.07510	6.9
231.08977	8.8
237.08080	8.6
243.08977	7.1
255.09021	33.6
257.18973	13.1
267.09094	25.6
269.10559	26.5
271.20563	12.7
273.10095	9.8
275.20114	83.1
281.13190	5.5
285.10101	31.2
287.11804	8.3
289.21658	17.3
291.12656	6.4
293.21182	8.9
331.15796	23.0
349.16861	100.0
349.23779	55.1
349.27536	14.8
367.17926	28.4
372.18320	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	349.1779
Annotation	Unknow
Peak:m/z	Relative Intensity
52.93671	1.1
55.01877	1.4
55.05500	3.1
56.96553	3.2
57.07077	1.1
65.39914	1.1
67.05507	4.1
69.07082	6.3
69.97257	1.1
71.08637	1.8
79.05482	5.8
81.07057	6.0
83.04980	1.2
83.08612	2.1
85.06538	2.2
91.05488	3.1
93.07036	4.2
95.04973	1.6
95.08627	6.5
97.06525	1.1
98.21581	2.0
98.85346	1.0
99.08116	1.1
105.07030	3.3
107.08578	3.5
109.06546	6.5
109.10150	2.2
119.08582	3.8
121.10100	2.0
123.08067	17.3
125.40118	1.0
131.08623	1.3
133.10126	2.0
135.08047	2.6
137.09663	1.3
145.10117	2.3
147.11636	1.8
157.10220	1.2
159.11713	1.3
179.14317	26.8
221.15393	2.6
275.20084	1.8
293.21143	5.0
331.15573	1.2
331.19016	1.6
331.26263	3.6
342.24393	1.2
349.17593	7.7
349.23456	100.0
349.27426	44.3
367.17929	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	349.1774
Annotation	Unknow
Peak:m/z	Relative Intensity
53.97407	4.9
55.05519	24.6
56.96564	62.0
57.03435	14.9
57.07079	5.2
67.05505	49.6
69.03398	6.2
69.07069	39.0
69.37807	43.5
71.95255	7.7
79.05486	38.4
81.07053	55.1
83.04986	10.3
83.08607	10.9
85.06532	6.2
91.05469	35.6
93.07041	49.6
95.04966	16.3
95.08599	35.0
97.06509	7.1
97.10160	6.0
98.21532	9.9
105.07051	38.6
107.04969	12.0
107.08594	39.0
109.06510	15.0
109.10150	18.9
110.97559	10.0
117.07053	10.9
119.08581	25.8
121.06504	12.8
121.10138	19.8
121.20834	5.1
123.08061	12.5
128.98598	13.3
131.08548	20.1
133.10114	27.3
135.11688	11.7
139.00719	5.1
139.03835	7.0
142.99974	5.6
145.10109	16.4
147.11676	16.7
149.09642	13.3
149.13295	7.9
151.00607	5.3
151.70670	5.3
153.02374	6.6
155.47412	5.1
159.11688	19.5
161.09595	7.0
171.03300	8.4
172.05351	5.1
173.13301	10.2
179.14326	16.1
181.05507	5.6
185.04858	10.6
189.04384	7.3
199.06471	11.0
203.05937	8.0
207.13849	6.8
211.06329	5.9
213.07983	8.7
217.07559	7.1
225.07872	8.4
229.07510	6.9
231.08977	8.8
237.08080	8.6
243.08977	7.1
255.09021	33.6
257.18973	13.1
267.09094	25.6
269.10559	26.5
271.20563	12.7
273.10095	9.8
275.20114	83.1
281.13190	5.5
285.10101	31.2
287.11804	8.3
289.21658	17.3
291.12656	6.4
293.21182	8.9
331.15796	23.0
349.16861	100.0
349.23779	55.1
349.27536	14.8
367.17926	28.4
372.18320	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	349.1777
Annotation	Unknow
Peak:m/z	Relative Intensity
51.57796	4.1
55.05502	11.0
56.96567	48.1
57.03428	8.1
67.05511	21.2
68.12771	3.9
69.07072	24.6
71.52251	6.1
71.95256	6.2
79.05506	28.0
81.07069	31.6
83.04957	5.3
83.08616	9.7
91.05458	24.6
93.07056	26.5
93.07551	4.4
95.05022	5.5
95.08607	18.5
97.06561	5.8
98.97601	5.8
105.07043	25.6
107.04945	7.5
107.08613	31.5
109.06471	7.1
109.10152	5.8
110.97578	10.4
117.07057	8.6
119.08569	18.1
121.06516	7.0
121.10130	11.2
123.08083	9.8
128.98627	9.2
131.08583	7.2
133.10143	13.5
135.08081	5.3
135.11684	9.8
137.05968	9.4
141.87534	4.2
145.10152	14.1
146.99713	5.7
147.07939	4.5
147.11697	4.7
149.09641	8.8
149.13243	4.6
159.11681	7.5
161.13293	5.7
163.11198	5.2
173.13226	5.1
179.14380	9.3
185.04912	9.3
199.06445	13.8
203.05939	6.9
211.06482	5.4
213.07959	5.7
217.07465	9.8
225.07967	4.3
229.07587	5.7
231.09076	4.8
237.07933	7.5
239.09651	5.9
243.09064	7.8
251.09689	6.1
255.08987	23.3
267.09003	28.0
269.10370	20.9
271.20520	4.9
273.10135	5.9
275.20160	40.9
278.10571	4.8
284.48846	4.2
285.10083	35.4
287.11768	8.4
289.21503	5.2
295.12564	5.4
309.13864	7.2
331.15695	29.0
331.22095	4.5
349.16797	100.0
349.23224	27.0
349.27478	7.4
367.17923	33.4
372.18298	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	349.0893
Annotation	Pibocin B
Peak:m/z	Relative Intensity
55.01857	0.3
55.05484	0.4
56.96540	0.4
57.03418	0.5
58.99565	0.3
59.21372	0.3
69.03423	0.6
69.07032	0.3
69.30588	1.7
69.30997	0.8
70.06577	0.8
72.08155	0.7
76.02205	0.3
79.05491	0.7
81.03381	0.3
81.07056	3.7
83.08635	0.4
84.04504	2.9
85.02889	0.7
87.02700	1.7
91.05473	0.6
93.07005	0.4
95.08590	0.5
95.56960	0.3
97.02901	0.7
98.97541	0.7
99.08124	0.5
105.00114	0.7
105.07021	0.7
107.08568	0.4
117.03397	0.4
117.06903	0.4
119.01842	0.3
119.04974	0.4
119.08582	0.4
122.02740	2.0
123.04430	0.6
131.01924	0.5
132.01141	0.7
135.04390	0.3
139.03935	1.4
143.08595	0.5
145.10011	0.5
147.04407	2.1
159.04613	0.5
161.09660	0.3
163.03885	0.7
163.07422	0.4
177.05490	0.6
185.04231	1.2
187.03639	1.6
189.05496	0.6
202.08936	3.2
203.07410	1.2
204.56784	0.3
220.10103	0.7
237.03008	0.3
247.04437	1.5
259.04465	0.7
259.16925	0.5
265.05606	1.7
267.17523	0.4
289.05478	0.6
295.06342	0.3
307.06668	1.0
313.17941	1.2
331.13202	1.0
331.18826	0.7
349.08929	100.0
350.09290	1.2
367.08746	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	348.2897
Annotation	Anandamide
Peak:m/z	Relative Intensity
53.03947	2.2
55.01868	2.9
55.05509	15.7
56.96550	5.6
57.03422	3.1
57.07077	9.0
60.04502	2.7
62.06092	86.1
67.05503	18.6
69.03413	7.2
69.07060	21.5
70.02956	9.6
71.04991	3.2
71.52170	2.3
79.05496	15.4
81.03409	2.6
81.07061	36.8
83.04971	4.4
83.08628	15.2
85.02900	3.5
88.03989	5.9
91.05486	12.6
93.07047	36.6
95.04962	4.7
95.08611	39.5
97.02914	1.8
97.06530	2.6
97.10158	6.4
98.97556	2.3
99.08102	2.6
105.07029	30.9
106.46232	1.7
107.04892	2.1
107.07880	2.8
107.08594	47.4
109.02798	2.0
109.06497	4.9
109.10152	27.5
117.06984	3.6
119.08586	27.8
121.06461	3.6
121.10147	27.4
123.08077	2.2
123.11717	8.9
125.09678	3.2
131.08565	10.5
133.10136	48.0
135.11705	21.0
136.06148	2.7
137.09596	1.8
142.08641	2.1
143.08507	3.9
144.10187	23.2
145.10117	14.8
147.08112	2.1
147.11708	24.9
149.09554	2.2
149.13257	30.4
151.11087	2.2
157.10081	8.3
158.11810	11.4
159.11742	8.8
161.13216	12.1
163.11183	2.7
163.14822	15.6
171.11722	4.3
173.11819	3.2
173.13254	5.1
175.11234	3.1
175.14873	9.4
177.12674	4.1
177.16399	3.5
185.13269	3.4
186.14886	3.7
187.14801	7.5
189.12700	4.6
189.16380	61.1
191.14420	2.3
191.17914	6.5
200.16414	4.1
201.16164	2.4
203.14296	4.3
203.17928	6.9
205.19420	5.2
212.16527	3.1
212.18710	1.9
213.16418	19.8
217.15913	2.3
224.16507	2.2
227.17937	2.3
229.19632	2.5
231.17458	36.8
238.18008	3.8
238.96284	2.0
240.19638	3.7
245.22681	30.8
250.17906	2.0
252.19547	3.3
257.18982	2.3
261.48660	1.9
266.21191	8.8
269.22629	11.4
275.20020	12.2
286.18823	2.7
286.27496	2.8
287.23685	46.7
292.19543	3.1
292.22711	58.5
292.25952	3.7
330.17535	3.0
348.15060	3.0
348.18649	20.7
348.28906	100.0
349.19745	11.6
349.23727	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	348.2746
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.5
55.01876	4.5
55.05510	19.7
56.96577	2.2
57.03442	7.9
57.07071	1.9
59.04999	2.3
65.03954	1.1
67.05507	66.7
69.03417	2.0
69.07072	10.4
71.04995	3.7
71.08658	6.5
79.05497	15.0
81.03415	2.7
81.07058	33.4
83.04968	4.3
83.08620	16.8
85.06522	2.8
91.05492	8.2
93.07045	19.3
95.04955	3.2
95.08598	12.4
96.03450	1.0
97.02892	1.9
97.06535	4.8
97.10179	13.9
99.08100	6.4
105.07020	5.9
107.08604	11.2
109.06567	1.6
109.10162	61.7
111.08077	6.0
117.07012	2.0
119.08569	8.8
121.06525	2.1
121.10160	5.8
123.08107	2.2
123.11693	3.7
125.09630	12.1
129.07088	1.2
131.08513	2.1
133.10141	5.3
135.08089	1.5
135.11705	5.4
136.06218	1.7
137.09644	5.2
139.11108	2.0
139.70001	1.0
141.12746	1.4
145.10141	1.4
147.11694	2.7
149.09691	1.3
149.13255	8.3
151.11205	5.5
155.10674	28.7
157.10146	1.4
159.11751	5.1
161.13277	4.1
163.11230	1.8
163.14818	1.3
165.12776	1.5
169.12274	1.0
171.10161	2.4
173.11746	100.0
175.14915	1.8
177.12798	4.1
179.14336	3.9
185.13184	1.4
189.11227	14.2
189.12752	1.9
190.14343	1.9
195.13811	19.1
199.14622	1.2
203.01642	1.1
213.14824	9.7
219.30745	1.2
249.22021	1.3
259.20651	3.6
267.09073	2.0
277.21637	30.4
285.10065	2.5
295.22729	19.5
348.18481	3.9
349.19720	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	348.2172
Annotation	Consabatine
Peak:m/z	Relative Intensity
53.03937	0.5
55.01879	0.5
55.05510	0.5
56.75996	0.3
60.04497	0.6
62.13333	0.4
67.05496	1.1
68.05053	0.4
69.03436	0.9
69.54615	2.5
70.06594	0.6
71.04971	0.4
75.94931	0.3
76.02235	0.4
79.05497	1.7
80.05006	0.4
81.07059	2.5
82.06596	2.4
83.04993	0.8
84.04500	1.6
84.08142	0.4
85.02871	0.4
85.06541	0.5
86.09699	0.5
91.05505	2.0
93.07051	4.4
94.06572	0.9
95.04965	0.5
95.08607	2.4
96.04509	5.0
98.06070	1.3
105.07045	3.4
107.04951	0.4
107.08597	2.1
108.08096	0.5
109.06514	0.7
109.10143	0.5
110.05299	0.7
110.06052	9.6
110.09728	0.5
117.07027	1.4
119.08594	4.4
121.06528	1.5
121.10136	1.7
122.02738	1.3
122.06032	0.5
123.08053	0.4
124.07572	0.5
129.07031	0.6
131.08556	4.1
133.06503	0.5
133.10121	1.9
135.08061	0.7
136.06209	3.8
136.07582	1.6
136.11227	1.9
137.05983	0.5
138.09131	2.6
142.07825	0.5
143.08586	1.6
145.06454	0.5
145.10144	3.6
147.08064	2.1
147.11720	0.7
148.07596	0.5
149.09619	1.3
150.09163	0.6
155.08548	0.9
157.10173	1.3
159.11696	1.6
160.07448	0.4
161.09625	1.1
161.13345	0.5
162.09134	0.9
163.03893	1.9
163.11227	0.8
163.35759	0.4
164.10739	4.6
166.12274	0.5
167.10788	0.4
169.10126	1.1
171.11665	0.8
173.09692	0.8
173.13269	2.5
175.11107	0.4
179.10722	0.5
183.11708	0.8
185.13319	0.8
187.11139	0.9
187.14850	1.9
187.98434	0.5
191.10706	0.7
195.11713	0.5
197.13286	1.5
203.14337	0.5
204.13757	0.4
209.11746	1.1
211.14732	0.5
215.14339	2.0
223.14960	0.4
233.15367	1.2
235.14702	0.5
253.15863	1.0
256.17047	0.6
267.17380	0.4
270.18478	1.0
271.16949	0.4
272.16544	0.6
284.16843	0.7
284.20151	1.6
294.18634	0.9
300.19498	0.4
302.20969	0.6
312.19690	2.0
330.20645	2.8
348.21725	100.0
349.08801	0.5
349.22293	1.7
370.81946	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	348.2171
Annotation	CHEBI:69895
Peak:m/z	Relative Intensity
55.01886	0.3
55.05513	0.5
67.05502	0.5
68.05028	0.9
69.03427	1.3
70.06570	0.9
71.52325	0.3
71.52820	0.3
74.06096	0.3
75.63866	0.2
79.05476	0.8
81.03432	0.4
81.04556	0.4
81.07058	1.1
82.06578	0.4
83.04987	0.3
83.07104	0.3
84.04491	0.5
84.08159	0.4
84.34083	0.3
86.06082	0.3
86.09695	0.3
88.03984	0.6
91.05499	1.3
93.07046	1.2
95.04958	0.3
95.08599	0.8
96.04494	35.1
97.06527	0.4
98.06065	1.6
98.97591	0.3
105.07037	1.8
107.06081	1.3
107.08605	0.5
108.04465	0.5
108.08100	0.3
108.08855	0.3
110.06052	1.8
112.07627	1.6
117.07027	0.6
119.08608	1.8
121.06505	1.6
121.10160	0.7
123.08108	0.3
126.05511	0.4
129.07007	0.5
130.08682	0.3
131.08575	1.3
133.06497	0.5
133.10155	1.0
135.08038	0.3
136.06189	0.8
136.07579	0.5
138.05482	0.4
138.09123	0.5
143.08540	0.9
145.06512	0.8
145.10135	1.2
146.05972	0.3
146.10596	0.3
147.08043	1.1
147.11638	0.5
149.09581	0.5
155.08572	0.6
157.10132	1.0
158.08122	0.4
159.08009	0.3
159.11673	0.7
169.10204	0.5
171.11748	0.6
173.09586	0.4
173.13289	0.7
181.10088	0.4
185.13304	0.7
187.14856	0.6
188.07143	0.7
188.59590	0.3
195.11513	0.3
197.13290	0.5
199.14890	0.4
209.13107	0.3
211.14893	0.4
215.14273	0.6
241.09685	0.3
244.17113	0.4
270.18616	0.5
284.17148	0.4
288.10968	0.3
294.15793	0.5
312.16873	1.1
313.17911	0.4
330.17679	1.7
331.18961	0.4
348.21771	100.0
349.22360	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	348.1655
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	1.3
56.96563	4.3
57.03426	1.4
58.99585	0.8
60.28496	0.8
61.02918	2.9
61.03220	0.8
69.03432	6.1
69.79860	3.2
69.80276	1.5
70.06572	0.9
71.04990	4.8
73.02933	0.9
74.63344	0.7
76.02190	1.1
79.05495	1.9
81.03410	2.3
81.07052	1.8
83.04958	1.9
84.08156	1.1
85.02905	23.5
86.03259	1.0
86.09696	3.9
87.04467	0.8
89.03899	3.9
91.03934	1.1
91.05475	12.3
93.07040	1.9
95.04959	2.8
95.08640	1.0
97.02891	5.7
97.06505	1.4
98.21399	1.5
98.97607	1.7
101.06022	1.0
105.00095	1.3
105.07025	1.5
107.04942	1.3
107.08554	1.0
116.98595	1.0
117.03371	2.6
117.07021	1.1
119.04143	1.1
119.04945	12.1
120.08117	1.1
121.06524	1.7
121.10122	1.4
122.02711	5.5
124.99125	1.0
127.03923	5.2
130.05035	0.9
135.04427	5.6
136.05180	1.7
136.06171	16.8
143.00244	1.6
145.02859	2.5
145.04971	5.2
151.07542	100.0
153.09042	1.3
163.03912	19.4
163.11217	1.4
164.04228	6.3
169.08609	11.1
180.08704	2.0
185.01256	1.1
191.10724	1.8
209.11729	3.1
213.00702	1.3
219.01733	1.1
227.12843	1.0
237.00668	1.2
249.02794	1.7
255.01796	1.7
273.02930	1.3
316.04004	1.0
348.06555	1.1
348.14307	1.9
349.08975	1.7
358.08188	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	348.0704
Annotation	Adenosine 3'-monophosphate
Peak:m/z	Relative Intensity
50.15652	0.2
55.01858	0.3
56.96559	0.9
57.03428	1.0
60.04546	0.3
61.02926	0.6
69.03432	2.6
70.06596	0.6
71.04972	0.5
71.51795	0.4
73.02901	0.6
81.03410	0.8
84.04495	0.6
84.08125	0.5
85.02904	8.0
86.09694	0.7
87.04464	0.4
89.03913	1.0
91.03950	0.3
94.04046	0.3
94.24815	0.3
97.02891	5.7
98.97586	1.1
98.98449	2.1
107.04942	0.3
109.02850	0.6
110.07146	0.3
110.97562	0.4
115.03934	0.4
115.62225	0.2
117.03354	0.7
119.01907	0.4
119.03564	1.1
121.06514	0.3
123.04416	0.6
127.03941	1.1
135.04408	1.5
136.06181	100.0
136.99997	0.3
137.04587	0.7
143.01868	0.5
144.04034	9.3
144.98148	0.3
145.02733	0.4
145.05006	0.7
150.44742	0.3
161.02904	0.3
163.03893	5.3
164.04242	1.1
164.99529	1.5
167.07062	1.3
168.04060	0.4
169.03555	0.4
170.99687	0.3
173.03006	0.4
176.08203	1.0
177.05441	0.4
186.05092	10.7
188.08138	1.2
197.03049	0.3
203.09276	0.4
214.06075	0.8
217.08253	0.2
218.07123	0.2
227.09142	0.5
249.02705	0.3
251.04089	0.3
255.01674	0.3
303.10931	1.2
331.05197	0.3
343.04471	0.3
348.06976	9.0
348.13055	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.2219
Annotation	meso-chimonanthine
Peak:m/z	Relative Intensity
53.03938	1.5
55.01881	1.6
55.05503	2.9
56.62614	0.9
56.96552	1.1
57.03433	1.4
57.31427	0.9
58.25818	0.7
59.05014	0.9
61.02909	0.7
63.44405	0.8
65.03935	1.1
67.05508	9.2
69.03413	0.8
69.07056	2.6
70.64882	0.8
71.04978	2.7
71.17451	1.4
79.05149	0.9
79.05499	9.6
81.03406	1.4
81.07065	10.6
81.31358	0.8
81.96227	1.1
83.04991	1.8
83.08640	0.8
85.02898	2.4
89.03875	1.0
91.05482	18.2
91.46568	0.9
93.07053	15.8
95.04951	2.9
95.08623	5.0
97.06533	2.2
98.97625	1.0
103.05446	0.9
103.18181	0.8
105.07038	17.7
107.08609	10.1
109.06523	2.0
109.10153	3.9
111.04432	1.2
111.08095	2.4
112.99098	0.9
113.06030	1.2
115.05422	1.3
116.98646	0.8
117.07024	14.5
119.08577	22.7
121.06522	4.1
121.10140	4.2
123.08088	3.1
128.06213	2.2
129.07022	6.6
131.08574	14.7
133.06514	1.0
133.10146	7.7
134.26172	0.8
135.04413	2.1
135.08049	3.5
135.11703	5.7
137.09700	2.0
141.06973	4.5
142.07797	1.9
143.08568	10.2
144.26172	0.9
145.06506	3.2
145.10117	14.1
147.04463	1.2
147.08063	8.3
147.09135	1.3
147.11702	3.9
149.09633	2.6
151.03911	1.8
151.11143	1.1
153.07082	1.2
153.09116	1.8
155.08574	7.1
156.09383	1.0
157.10104	9.6
159.04477	0.9
159.08101	1.9
159.11687	7.0
161.09578	2.4
161.13286	1.8
163.03915	4.1
163.07610	1.4
163.11180	2.4
165.07019	1.9
166.07678	1.2
167.08566	4.4
168.09312	1.1
169.10129	7.0
171.08107	1.5
171.11693	6.0
173.09633	2.5
173.13248	2.4
175.03917	1.8
175.11165	1.1
176.04669	3.3
176.07051	1.0
176.10767	1.4
178.07883	0.8
179.08601	3.4
179.10634	3.7
180.09317	1.5
181.10098	9.0
182.10767	0.9
182.72205	0.8
183.11806	4.1
185.09666	2.7
185.13271	2.8
187.11101	1.6
189.05458	1.5
189.12825	1.3
189.16475	1.7
191.06874	1.2
193.10193	3.3
194.10909	1.4
195.07982	1.1
195.11754	6.5
196.12508	1.0
197.09546	1.3
197.13278	5.2
199.11168	1.6
199.14818	5.3
201.12842	1.0
203.04240	1.0
203.10503	1.0
203.14589	0.9
205.10323	1.2
206.11177	1.6
207.11708	3.2
209.13239	5.7
211.11148	1.2
211.14836	2.5
213.12802	1.1
213.16429	1.7
215.14323	1.9
217.15923	3.1
219.11699	2.4
221.13275	5.1
223.14780	7.0
225.16331	0.9
227.18156	1.1
233.13231	2.4
235.14896	2.3
237.12827	2.0
237.16380	6.8
239.14285	4.3
241.15866	2.3
251.14284	6.6
251.17900	8.0
253.15953	2.4
255.17522	5.3
261.16357	3.3
267.17438	4.6
269.15601	1.5
269.19055	5.5
279.17450	14.3
283.13535	1.8
283.16946	3.7
285.18549	4.0
297.18481	20.1
297.21588	1.3
301.14462	5.4
301.17682	1.3
303.17844	6.7
311.19931	4.4
315.19537	2.6
319.22586	4.5
329.13843	2.1
329.17355	2.4
329.21204	4.2
347.18689	5.8
347.22195	100.0
348.22476	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.2217
Annotation	meso-chimonanthine
Peak:m/z	Relative Intensity
53.03931	1.3
55.01862	1.7
55.05516	4.9
56.96542	3.1
57.03434	2.5
61.02914	1.7
67.05503	12.0
69.03410	2.3
69.07051	3.8
69.68807	5.7
71.04982	4.1
77.35157	1.0
79.05497	13.4
81.03413	5.7
81.07058	13.2
83.04961	2.7
83.08595	2.9
85.02904	5.9
85.06534	1.4
88.08089	1.0
89.03904	1.2
91.03928	1.1
91.05482	23.8
93.07048	21.7
95.04967	6.3
95.08614	10.0
97.02924	4.8
97.06508	3.5
98.21438	1.4
98.97584	2.5
99.04435	1.9
103.05467	1.8
105.06395	1.7
105.07038	20.7
107.04953	2.3
107.08595	11.8
109.06493	3.9
109.10126	4.5
110.86531	0.9
111.04427	2.5
111.08036	3.0
113.05988	1.3
116.98540	1.2
117.07020	15.6
119.08587	26.9
121.06505	6.4
121.10126	6.7
123.08060	3.2
123.11751	1.1
125.05974	3.0
125.09637	1.5
126.09903	0.9
128.06248	2.5
129.06989	7.1
130.07744	1.5
131.08571	15.3
133.06470	2.4
133.10139	7.6
134.99620	1.2
135.04356	1.1
135.08026	3.3
135.11725	5.6
137.05968	1.4
137.09592	2.4
141.06976	5.2
142.07751	2.0
143.08582	10.7
145.06473	3.6
145.10127	13.9
147.04369	1.2
147.08051	8.2
147.11703	6.1
149.09566	2.7
151.07503	1.0
153.07031	1.3
153.09094	2.1
155.08554	7.0
157.10127	14.5
159.08034	2.7
159.11699	8.4
161.05956	1.9
161.09596	2.5
161.13255	1.6
163.03862	3.2
163.11171	3.3
164.04242	1.0
165.06967	1.5
165.09131	2.3
167.08522	4.6
168.09320	1.1
169.10150	5.1
171.08035	1.9
171.11688	4.6
173.09590	2.3
173.13211	2.8
175.07419	1.3
175.11150	2.8
177.05441	3.2
177.09135	2.4
179.08563	2.5
179.10808	1.9
180.09438	1.0
181.10172	6.3
183.11668	5.8
185.09659	2.4
185.13179	2.4
187.11223	2.8
191.10570	1.7
193.10049	2.2
193.12228	2.6
194.10840	1.8
195.11696	8.3
197.09573	1.8
197.13242	6.7
199.06342	1.5
199.11217	2.5
199.14812	6.5
203.10602	2.0
205.10289	1.2
206.11380	1.0
207.11682	3.4
209.13232	7.6
211.11230	1.2
211.14845	2.4
213.12726	1.5
213.16420	2.1
215.14326	2.6
217.15883	2.8
219.11684	2.0
221.11378	2.0
221.13234	5.9
223.11125	1.7
223.14786	4.6
225.12726	1.5
225.16377	1.3
227.14389	2.1
229.07500	3.1
230.07658	1.2
233.13260	2.4
233.15317	1.3
235.14839	2.9
237.16373	5.7
239.11577	1.1
239.14314	5.9
239.17963	1.7
241.15836	3.3
241.19392	1.5
247.08627	1.2
250.11768	18.6
251.12038	1.3
251.14340	6.4
251.17990	7.7
253.15823	1.8
255.13774	1.7
255.17413	4.5
261.16467	3.4
267.08780	1.2
267.17615	7.9
269.12262	1.4
269.15195	1.7
269.19034	5.8
273.18579	1.1
279.17404	13.0
283.16800	3.9
285.18500	13.0
297.18500	16.9
301.14386	6.5
311.20059	3.6
315.19461	1.6
319.22769	5.6
329.13812	1.5
329.17389	5.0
329.21091	6.1
347.18228	22.0
347.22128	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	347.2193
Annotation	Cortexolone
Peak:m/z	Relative Intensity
57.07061	0.9
61.14688	0.5
67.05502	0.6
70.76411	1.6
81.07066	0.6
91.05448	0.6
93.07057	0.8
98.97599	1.3
105.07011	0.6
124.69975	0.5
128.54865	0.6
131.00197	0.7
135.08061	0.8
156.03593	1.4
157.63977	0.5
177.12776	0.8
192.88799	0.5
227.45897	0.6
228.05768	0.7
235.13031	0.8
249.14514	0.7
265.14124	1.1
266.14554	0.6
286.65912	0.7
347.21912	100.0
347.67184	0.8
348.22253	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.2193
Annotation	Cortexolone
Peak:m/z	Relative Intensity
56.96565	1.9
57.07086	2.5
57.56639	0.5
57.99710	0.5
58.08195	0.5
61.02918	1.0
65.50762	0.5
67.05496	0.6
69.03430	0.8
69.38517	3.0
71.08634	1.5
73.02910	1.7
74.31226	0.5
74.56251	0.5
77.74739	0.5
81.03426	0.6
81.07059	0.9
85.02891	1.1
85.10218	0.6
88.07631	0.6
91.03963	0.7
95.08587	1.2
97.02892	2.8
98.97588	4.0
105.02064	0.6
109.02934	0.7
110.01283	0.7
110.52928	0.6
110.97606	0.9
112.99155	1.6
116.98643	0.9
119.01826	1.3
128.98651	0.7
131.00192	4.8
143.00163	0.5
147.03111	4.3
149.01234	4.5
156.03633	6.2
158.99652	1.5
167.02310	0.7
167.54456	1.8
169.08278	0.6
170.99594	0.6
172.02814	0.6
189.00813	0.6
191.02310	0.9
204.74940	0.6
219.01804	0.6
219.05228	0.6
228.05797	1.9
259.06195	0.6
266.14529	4.9
266.64746	0.7
269.25693	0.5
286.65927	2.1
293.05530	1.1
299.31186	0.6
313.20596	0.7
347.17261	24.8
347.21942	100.0
347.67383	3.9
348.22278	0.9
367.68539	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.1854
Annotation	CHEBI:67672
Peak:m/z	Relative Intensity
53.03955	0.3
55.01859	0.9
55.05515	0.5
56.55862	0.3
65.03950	0.4
67.05502	2.1
69.03436	0.3
69.07104	0.3
71.43769	0.4
79.05516	1.8
81.03405	1.0
81.07074	2.5
83.04954	0.5
83.34396	0.3
91.05486	4.1
93.07052	2.6
95.04960	2.5
95.08607	1.5
97.06518	0.8
98.97601	0.5
100.66477	0.3
105.07040	4.2
107.04961	1.4
107.08593	1.8
109.06518	1.3
109.10164	0.4
111.08128	0.4
115.05485	0.3
117.06981	1.6
119.04922	2.4
119.08600	3.5
121.06509	1.6
121.10133	0.6
123.04436	4.8
123.08057	0.7
128.06274	0.7
129.07010	1.4
131.04901	0.5
131.08580	2.9
133.06502	1.7
133.10120	1.2
135.04411	0.8
135.08060	1.8
137.05023	0.6
137.05988	8.0
141.06967	0.7
142.07729	0.3
143.08560	2.3
145.06488	2.2
145.10127	2.9
147.04414	14.9
147.08063	2.8
147.11678	0.4
149.06018	1.5
149.09612	0.7
151.07544	1.4
155.08559	0.9
157.10147	2.2
159.08069	1.8
159.11713	1.8
161.06001	5.7
161.09636	1.8
161.13315	0.4
163.07526	0.9
165.07057	0.7
165.12962	0.3
167.08572	0.9
169.10132	1.1
171.08073	2.9
171.11713	0.9
173.05962	0.5
173.09625	1.0
173.13318	0.7
175.07526	1.0
175.11198	0.8
178.07811	0.5
178.30063	0.3
179.08577	0.9
181.10114	1.0
183.08116	0.9
183.11690	1.2
185.09666	2.1
185.13199	0.5
187.07544	0.7
187.11143	0.7
189.09126	1.8
189.12796	0.4
191.10588	0.3
193.10162	0.9
195.08084	1.6
195.11752	1.2
197.09615	1.6
197.13275	0.5
198.06680	0.4
199.07617	0.7
199.11148	0.9
201.09097	0.7
201.12608	0.5
203.10616	0.5
205.10213	0.6
205.12093	0.4
207.08167	0.5
207.11797	0.4
208.08871	0.4
209.09535	2.2
209.13177	0.6
211.07487	0.5
211.11180	1.0
211.14574	0.4
213.09091	3.6
213.12706	0.8
215.10741	0.5
217.10255	0.6
221.09596	0.7
221.13293	0.6
223.11093	1.6
223.14819	1.1
225.09113	0.6
225.12772	1.0
227.10663	0.8
232.08871	0.4
232.12535	0.4
233.09651	1.1
234.10336	0.5
235.07521	0.4
235.11258	1.5
236.11989	0.7
237.09210	0.6
237.12813	1.8
239.10695	1.0
239.14281	0.7
241.12198	0.9
241.15892	0.8
247.11157	0.8
247.14772	0.5
249.12775	1.1
250.13757	0.4
251.10631	0.9
251.14377	3.3
253.12250	1.0
255.13873	1.0
255.17267	0.3
255.52341	0.3
257.15332	0.4
260.11920	0.4
263.14185	0.5
265.12460	1.7
265.15750	1.6
267.13873	0.8
269.15375	3.9
270.49893	0.3
275.14346	1.5
281.15353	1.2
283.13260	1.7
283.16867	0.8
293.15366	4.6
299.16568	0.4
303.17706	0.5
311.16415	4.4
329.17447	2.7
347.18536	100.0
348.18839	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.1853
Annotation	Gibberellin A44
Peak:m/z	Relative Intensity
55.17490	1.3
67.05486	3.7
68.21518	1.2
69.07059	2.6
70.18430	1.2
70.23328	4.6
78.33251	1.4
79.05479	4.3
81.07063	6.2
91.05493	7.6
93.07030	8.3
93.89165	1.2
95.08615	7.6
103.05497	1.9
105.07012	6.9
107.08585	9.4
109.10135	5.0
117.07012	4.4
119.08594	7.1
121.10172	3.0
125.05988	1.8
129.07013	3.6
131.04910	3.8
131.08559	9.4
133.10085	2.3
141.07013	2.6
143.08574	7.6
145.10132	5.1
155.08559	9.2
157.10097	6.3
159.11667	3.6
169.10127	5.0
171.11679	2.2
173.09776	1.4
177.09062	4.8
179.08589	1.9
181.10107	2.8
183.11665	9.8
189.09120	2.6
191.10654	1.4
195.11711	5.3
195.96271	1.4
197.13290	6.2
203.10687	2.6
207.11845	1.6
207.34383	1.6
209.13231	3.3
211.11179	2.7
211.14832	4.3
213.16454	1.5
221.13249	2.4
225.12650	2.4
227.10658	2.1
229.12366	2.3
237.12767	3.4
237.16399	3.6
239.14270	2.7
239.17966	6.3
247.14839	1.4
255.17516	1.5
265.15845	2.2
267.17438	55.7
268.18027	1.4
283.16946	20.5
285.18494	100.0
286.18924	3.4
301.17975	7.4
303.19574	1.6
329.17450	23.6
344.76801	1.7
347.16409	16.5
349.85898	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.1856
Annotation	Gibberellin A44
Peak:m/z	Relative Intensity
55.05500	3.3
55.43386	0.9
56.96558	3.9
57.03426	1.4
61.02923	1.2
67.05501	9.2
68.05850	1.0
69.03419	1.8
69.07063	3.6
69.16135	11.4
70.80315	1.3
71.04988	1.8
76.91213	0.9
79.05502	7.9
81.07063	12.1
83.04950	1.5
83.08620	3.2
85.02930	2.4
85.06502	1.1
89.03934	1.1
91.05478	13.7
93.07054	12.3
95.04977	2.9
95.08594	11.2
97.02897	5.2
97.06535	2.6
98.97563	3.1
103.05474	3.1
105.07030	14.3
107.04949	2.2
107.08595	12.4
109.06530	2.1
109.10167	9.7
114.53571	1.0
115.05475	1.5
117.07059	6.1
119.08587	13.7
121.06512	2.0
121.10147	4.7
123.08053	1.5
123.11723	1.1
125.05958	1.4
129.07010	4.6
131.04921	4.2
131.08563	11.2
133.06496	1.0
133.10159	6.3
135.04453	1.4
135.08017	1.4
135.11703	2.1
137.05951	1.8
137.09612	1.2
137.36671	1.0
141.07025	3.3
142.07751	1.5
143.08591	9.8
145.10123	12.5
147.08089	2.7
147.11674	3.8
149.05954	1.4
149.09695	1.4
151.03932	1.3
155.08575	10.3
157.10136	9.2
158.99655	1.2
159.08046	2.0
159.11665	6.6
161.01146	1.0
161.05928	1.8
161.09702	2.0
161.13176	1.1
163.03893	3.8
163.07545	2.2
163.11064	1.4
166.07806	1.2
167.08569	3.1
169.10155	8.9
169.96565	1.1
171.08095	1.8
171.11671	3.5
173.09572	2.6
173.11926	1.1
173.13309	2.3
174.12022	1.3
175.07611	2.0
175.11140	1.5
177.05563	1.2
177.09094	5.7
179.08534	1.2
181.10117	4.0
182.10965	1.4
183.11711	10.9
185.09694	1.8
189.09128	1.9
191.10684	3.2
193.10211	2.2
193.12126	1.7
195.11728	4.6
197.09602	1.1
197.13243	8.6
199.11182	1.5
201.09065	1.3
203.10648	2.5
209.13211	5.2
211.11218	4.0
211.14851	7.1
215.10744	1.4
221.13304	2.5
225.12712	1.7
225.16446	1.7
227.10658	1.3
229.07484	5.1
229.12216	3.5
230.07753	1.1
237.12767	2.7
237.16440	3.5
239.14304	3.4
239.17987	7.6
241.12352	1.3
243.09184	1.4
247.08572	1.9
249.16571	1.5
251.17969	1.6
255.13747	3.0
255.17377	1.9
265.15979	2.2
267.17459	54.0
273.18515	2.3
283.16956	18.6
285.18503	100.0
286.18903	2.4
301.14655	1.8
301.17908	7.5
303.19681	1.8
311.16431	3.3
329.17545	28.4
329.21274	2.6
347.14886	1.7
347.18356	14.3
347.23853	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	347.1854
Annotation	Gibberellin A37
Peak:m/z	Relative Intensity
55.01862	2.5
55.05506	6.0
56.96563	3.7
57.03432	2.6
65.03957	1.2
67.05505	8.2
67.67072	1.3
69.03445	1.9
69.07065	6.0
69.85835	5.4
79.05493	8.5
81.03433	2.6
81.07059	14.3
83.04970	1.9
85.02907	3.7
91.05470	12.4
93.07046	15.0
95.04950	4.0
95.08606	11.4
97.02896	7.2
97.06550	2.6
98.97601	8.0
100.11245	1.3
103.05476	3.4
105.07032	15.6
107.04952	2.8
107.08609	12.7
109.06539	2.7
109.10164	8.2
111.04440	1.6
112.26991	1.3
115.05412	1.5
116.98644	2.2
117.07017	7.4
119.08595	12.7
121.06496	5.1
121.10137	4.9
123.04420	1.7
123.08090	1.5
123.11687	2.6
125.05991	2.2
125.77735	1.3
127.03880	2.1
128.06241	1.9
129.06978	4.6
131.04932	6.0
131.08580	11.2
133.10112	5.6
135.04451	2.0
135.08028	1.6
135.11720	1.9
137.05968	2.3
137.09619	2.5
137.64380	1.5
139.85019	1.5
141.06972	3.7
143.08572	8.7
145.02820	2.1
145.06485	1.8
145.10110	8.0
147.04428	2.1
147.11647	2.9
149.05949	1.3
151.03929	1.8
155.08559	11.4
157.06491	1.8
157.10138	9.8
158.99663	1.6
159.08052	2.6
159.11700	5.0
161.06018	2.2
161.09631	1.8
163.03935	8.3
163.07506	1.7
163.11192	1.5
165.05447	1.6
167.08609	2.4
168.09392	2.4
169.10123	5.6
171.08032	2.6
171.11713	4.9
173.09671	2.8
173.13251	1.7
175.03874	2.5
177.05461	2.5
177.09108	4.4
179.08615	1.6
181.10175	3.5
182.10773	1.5
183.11740	8.7
185.09534	2.2
185.13301	1.4
187.11163	1.6
189.05458	4.0
189.09163	2.2
191.07065	2.1
191.10677	2.4
194.10902	1.7
195.11801	4.2
196.12514	1.5
197.13260	6.0
197.75308	1.4
199.14903	1.6
207.11700	2.2
209.13139	3.4
211.11168	4.0
211.14850	3.9
215.10637	2.3
215.14250	1.5
219.11787	2.0
223.11145	1.8
225.16339	1.3
227.10735	1.9
229.07451	3.5
229.12291	2.5
230.07883	2.8
237.12737	3.2
237.16444	2.8
239.14325	3.9
239.17931	6.5
243.09125	2.2
249.16458	2.1
255.13843	2.9
255.17426	1.7
265.15964	4.3
267.17447	54.4
279.17322	1.6
283.08380	2.3
283.13599	2.6
283.16962	18.8
285.18488	100.0
286.18768	1.5
293.15430	1.7
301.14310	9.6
301.17987	8.2
311.12735	2.4
311.16223	2.9
329.13882	4.9
329.17471	23.9
329.21219	2.8
347.14764	3.4
347.18372	24.9
347.22150	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	347.1831
Annotation	Spenolimycin
Peak:m/z	Relative Intensity
52.09672	0.4
53.72674	0.4
55.01857	0.6
55.05505	1.0
56.96552	0.6
56.97229	0.4
58.44506	0.5
67.05503	1.2
69.03444	0.4
69.07066	0.7
74.61217	0.5
79.05504	1.2
81.07052	2.4
83.04978	1.0
83.08648	0.6
89.46197	0.4
91.05473	1.5
93.07054	2.8
95.04962	0.9
95.08607	0.9
97.06512	0.6
98.97546	0.5
102.14995	0.4
105.07028	1.6
107.08611	2.6
109.06548	1.1
109.10172	0.9
110.00126	0.4
116.98634	0.4
117.07047	0.6
119.08594	1.6
121.06540	0.7
121.10143	1.3
122.59381	0.4
123.08099	1.6
125.05998	0.8
129.06979	0.5
131.08583	1.1
133.10158	0.8
135.08116	0.7
145.10107	1.3
147.11696	0.5
149.09663	1.1
151.07567	3.0
159.11784	0.5
161.09676	0.5
167.10727	0.9
172.64020	0.5
173.13281	0.5
173.30609	0.5
189.12730	1.0
207.13795	1.8
237.14973	0.6
255.08932	0.6
283.13736	0.5
329.21008	0.6
347.18323	100.0
347.21866	4.5
348.18558	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.183
Annotation	Spenolimycin
Peak:m/z	Relative Intensity
55.05517	5.5
55.43199	3.4
56.96569	26.8
57.07067	4.3
61.02922	3.9
67.05518	16.9
68.05818	3.3
69.03397	3.5
69.07061	8.3
71.05008	3.4
71.52970	5.4
72.37592	3.1
73.02888	3.9
79.05505	9.5
81.03384	4.4
81.07050	15.1
83.04971	3.3
83.08608	5.9
85.02905	6.6
85.06561	3.8
91.03938	5.3
91.05497	10.7
93.07040	14.6
95.04972	8.5
95.08606	14.3
96.91309	3.0
97.99165	6.0
100.55584	3.1
101.52538	3.0
105.07053	11.5
107.04902	3.3
107.08586	10.9
109.10184	6.7
110.10465	3.9
117.06995	3.7
119.08574	12.1
121.10233	4.8
123.08112	3.3
131.08531	7.5
133.10130	7.1
137.05702	7.0
143.08609	3.8
147.11697	4.6
159.11690	3.8
173.11786	3.5
215.64723	12.4
224.65215	11.9
229.07524	4.0
247.08299	4.4
265.12680	3.5
268.11041	4.0
269.12338	10.4
311.16306	4.9
314.68973	7.0
315.18912	3.9
329.17270	81.9
347.06686	3.7
347.14224	7.2
347.18335	100.0
347.21957	5.6
347.26706	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	347.1829
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	1.4
56.96560	1.5
67.05490	2.8
69.07079	1.3
69.94631	1.9
69.95038	1.4
72.08164	0.8
73.02919	0.6
79.05492	0.8
81.07059	5.1
85.02901	0.7
91.05471	1.9
93.07038	2.9
95.08634	3.3
98.97595	0.7
105.07050	2.3
107.08586	3.7
109.10167	2.8
113.26662	0.7
117.06954	0.9
118.97491	0.6
119.08595	2.7
121.10164	2.0
122.67266	0.6
131.08603	2.5
133.10152	1.1
135.08064	0.8
135.11702	2.0
143.08553	1.4
145.06503	5.1
145.10130	3.1
146.06842	4.4
147.11716	1.7
149.13321	0.7
155.08615	0.9
157.10124	4.2
159.11702	2.5
161.13293	1.2
163.14839	1.1
169.10153	2.3
171.11708	0.8
173.13295	1.9
181.10120	1.5
183.11673	1.9
185.13304	1.9
187.14845	1.3
193.10266	0.9
195.11752	2.2
197.13313	1.6
199.14862	0.7
201.16339	0.9
207.11737	0.9
209.13185	1.5
211.14864	1.5
213.16273	0.9
221.13380	2.0
223.14944	2.2
225.16426	1.3
235.15039	0.8
237.16440	2.5
239.18025	1.9
251.17996	4.4
253.19635	1.7
261.14514	3.5
263.17932	1.5
265.19678	2.0
274.17432	0.6
277.19583	1.9
279.14496	0.7
280.82080	0.6
291.21188	2.6
305.22501	0.8
312.16794	2.2
329.21341	0.7
347.18344	100.0
347.27280	29.3
354.00064	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.1315
Annotation	Nordercitin
Peak:m/z	Relative Intensity
51.07882	0.8
56.05022	0.6
56.96557	2.3
60.04517	0.9
67.05495	0.7
69.03425	1.6
69.51069	4.0
70.06586	1.0
71.04993	2.5
72.08159	0.8
85.02917	3.9
86.09715	4.2
89.03897	1.0
97.02879	1.6
98.21550	1.4
98.97567	1.6
101.00893	1.2
103.03943	0.8
110.97616	0.8
112.73913	0.8
117.03438	1.7
122.07207	0.7
132.10188	1.0
135.04465	1.8
136.06215	4.4
143.00160	1.4
143.01904	1.8
145.02739	0.7
161.01331	0.9
161.02988	2.3
163.03902	9.2
164.40784	0.7
182.86089	0.7
185.06509	1.1
185.07895	2.2
189.00786	0.8
201.18559	0.7
203.05392	1.3
215.08412	0.8
231.01730	0.8
237.00784	2.0
255.01820	1.3
285.13144	8.2
287.11011	3.2
329.17786	1.1
347.13144	100.0
348.13477	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	346.2586
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	13.4
55.05293	6.4
55.05510	55.6
56.96554	16.9
57.03426	17.7
59.04990	6.4
61.02920	6.4
67.05504	100.0
69.03414	12.3
69.07057	34.4
71.04993	16.9
71.11742	5.5
71.52882	8.0
73.02895	11.3
79.05504	52.3
81.03399	13.8
81.07055	70.8
83.04971	19.9
83.08617	30.5
85.02881	14.7
85.06550	12.9
91.05475	49.2
93.07056	49.8
95.04967	34.4
95.08614	82.6
97.02865	11.8
97.06533	10.0
97.10166	25.1
98.97570	25.3
99.08096	7.7
105.07023	23.9
107.04947	7.4
107.08588	31.9
109.06515	8.1
109.10150	50.9
111.08049	6.8
113.09638	27.7
116.98612	10.4
117.06997	13.9
119.08571	24.3
121.06499	6.5
121.10139	47.6
125.09659	34.2
131.08546	19.9
133.10103	25.1
135.08046	9.3
135.11694	19.6
137.09602	13.4
139.11172	22.5
143.10645	10.3
147.11676	10.8
149.09570	9.8
150.53082	6.9
151.11177	15.3
155.10693	7.0
158.99673	11.3
163.11157	17.4
167.10594	12.6
171.11639	7.6
173.01189	11.5
173.11722	36.0
173.13135	11.6
177.12709	10.2
179.10608	8.1
181.12308	9.9
181.14830	6.3
209.11707	14.2
211.13240	8.0
211.23235	6.9
229.07472	17.4
244.99675	10.0
247.08580	8.7
275.20013	21.9
293.21140	52.5
296.13989	13.0
307.94666	6.4
311.22110	18.6
314.18320	5.7
328.16580	28.9
329.17334	8.4
346.06161	9.9
346.09857	15.3
347.18356	11.5
359.62177	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	346.2589
Annotation	Unknow
Peak:m/z	Relative Intensity
50.87808	2.1
53.03948	3.2
55.01871	4.6
55.05506	20.4
56.96567	5.2
57.03433	6.6
59.04993	3.9
67.05506	66.1
69.07074	23.0
70.96333	5.6
71.04985	2.3
77.36216	2.4
79.05504	21.0
81.03435	4.7
81.07063	39.3
83.04970	5.4
83.08624	16.8
85.06546	3.8
91.05492	21.8
93.07056	22.8
95.08621	24.3
97.06522	8.8
97.10174	18.3
98.97588	65.4
105.07030	15.8
106.19762	2.4
107.07902	3.0
107.08596	33.7
109.06496	3.2
109.10165	63.7
110.97588	2.3
111.08106	3.5
112.99131	17.8
116.98627	13.6
117.07016	6.2
117.56801	2.2
119.08585	15.3
121.10133	10.8
124.95530	2.9
125.09634	15.0
131.00160	8.7
131.08580	7.5
133.10117	12.6
133.73843	2.3
135.11662	4.7
137.09604	5.0
145.10109	6.5
147.11664	6.4
149.01175	4.4
149.09648	5.8
149.13217	7.9
155.10652	39.0
158.99646	25.4
159.11699	8.7
163.11272	2.9
171.10234	3.4
173.01228	25.8
173.11763	100.0
173.13199	3.2
177.00742	9.2
177.12752	6.1
178.92226	2.4
184.97656	3.9
189.11217	15.2
191.02283	10.7
195.13805	23.0
201.00748	8.0
202.98618	8.2
213.14818	13.3
216.41364	2.7
219.01808	6.8
229.07520	4.7
229.19496	2.9
244.99721	20.6
247.08620	2.9
247.20598	2.6
257.18887	6.4
263.00833	3.1
275.20059	57.6
286.51486	2.5
293.21198	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	346.2015
Annotation	7-Deoxycephalofortuneine
Peak:m/z	Relative Intensity
53.03930	0.3
55.01853	0.5
55.05503	0.6
56.82249	0.3
56.96549	0.8
57.03436	0.7
58.06581	1.0
61.08257	0.3
67.05490	0.9
67.70770	0.2
69.03430	0.7
69.07066	0.7
70.06581	0.7
70.83253	0.6
70.83556	0.4
71.04988	2.1
72.08160	2.4
74.06080	0.3
79.05488	0.9
81.07050	1.3
83.04969	1.0
84.04506	0.6
84.10178	0.3
85.02911	2.8
85.22683	0.3
86.09711	1.0
87.40295	0.2
88.82796	0.3
91.05474	2.4
93.07050	1.5
94.06556	0.9
95.04983	0.5
95.08601	0.8
96.04472	0.5
97.02905	0.7
97.06522	0.4
98.97596	2.6
101.40437	0.3
103.05496	0.3
105.06519	0.2
105.07059	2.8
107.04951	0.7
107.08612	1.2
108.08104	1.0
108.08793	0.3
109.06543	0.3
110.06054	1.6
110.97543	0.4
111.04427	0.4
112.99161	0.3
114.12814	22.9
116.98608	0.6
117.07016	1.4
118.13486	0.3
118.20947	0.3
119.04935	0.5
119.08564	1.8
120.08118	0.6
121.06448	0.5
121.10113	0.6
122.02706	1.2
122.06038	7.6
123.04410	0.5
123.08115	0.3
124.07585	0.9
128.15402	0.3
128.98642	0.3
129.05458	0.5
129.07014	0.6
131.00153	0.4
131.04930	0.4
131.08566	2.2
132.03596	0.3
133.06488	1.0
133.10155	1.8
134.06030	0.8
134.09669	0.6
135.08020	0.5
135.11671	0.3
136.07584	11.8
137.09610	0.3
138.09126	0.3
139.03831	0.4
140.06973	0.4
143.00212	0.4
143.08559	1.5
145.06471	0.8
145.10118	1.6
146.05978	1.1
147.08044	0.7
147.11687	0.9
148.07574	1.2
155.08586	0.7
157.10115	1.2
158.99657	0.6
159.08061	0.5
159.11707	1.1
160.07523	1.9
161.09645	0.9
161.13269	1.2
162.09161	1.5
163.11249	0.6
168.09418	0.3
169.08665	0.3
169.10080	0.6
171.11690	1.0
173.01248	0.5
173.09633	0.4
173.13254	1.1
174.09148	1.2
176.10686	0.4
181.10120	0.3
183.11789	0.4
186.09128	0.3
188.10741	0.6
189.12743	0.6
198.09044	0.4
199.11200	0.5
201.00688	0.3
201.12740	0.5
202.12360	0.3
205.04840	0.3
205.06865	0.5
207.13809	0.3
212.10689	0.3
214.12256	0.3
219.01736	0.4
219.13721	0.5
221.13449	0.3
226.12190	0.4
237.02661	0.4
240.13889	0.4
244.99913	0.3
246.72865	0.3
252.02817	0.4
252.13884	0.4
254.15385	0.9
261.03314	0.8
262.54581	0.4
264.13892	0.4
264.16806	0.3
267.17538	0.3
268.16956	0.7
282.15247	0.5
282.18570	1.5
284.18658	0.4
287.16476	0.3
292.16858	0.7
302.17593	0.5
303.05066	3.4
304.05334	0.7
310.18091	2.8
315.15979	0.8
325.05768	1.2
325.55731	0.6
328.19086	3.2
329.17471	0.4
334.06320	1.6
334.56308	0.7
340.99734	0.4
346.20148	100.0
347.20578	1.5
359.00732	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.3001
Annotation	Aggreceride C
Peak:m/z	Relative Intensity
50.92790	1.9
52.07381	2.0
55.05511	15.2
57.03429	8.0
57.07079	100.0
67.05508	26.0
69.07079	15.7
71.08636	75.9
75.04507	3.9
79.05525	2.2
81.07070	46.8
83.08626	27.4
85.09743	1.7
85.10188	39.4
93.07050	3.2
95.08612	61.2
97.10176	23.2
99.11702	2.8
102.07381	2.0
104.99258	4.0
107.08611	2.3
109.09483	2.7
109.10168	31.9
111.11727	5.6
117.99514	2.3
123.11712	16.5
137.13246	7.8
139.68422	2.0
151.14815	4.8
157.45976	2.0
165.05476	3.7
175.03879	3.0
183.55127	2.2
198.15005	2.0
235.24205	5.0
253.25313	31.3
271.26324	7.6
300.32712	2.1
313.03391	6.6
315.01300	3.3
327.28958	86.2
330.03448	3.2
345.06058	16.6
345.18979	9.9
359.80869	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	345.2037
Annotation	(-)-11-nor-9-carboxy-Delta9-THC
Peak:m/z	Relative Intensity
67.05515	1.6
70.06597	1.0
71.52451	1.4
80.91311	0.9
81.07063	1.7
93.07059	1.2
104.99277	2.6
105.07047	1.4
106.20011	1.0
107.08591	1.7
107.93165	0.9
119.08601	1.6
121.10144	1.4
240.21851	1.0
262.98233	3.1
313.03494	2.8
315.01343	1.8
330.03769	1.8
345.06076	6.6
345.20389	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.2273
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	5.2
55.05511	7.6
56.96550	3.0
57.03426	2.3
59.04981	1.3
61.02931	1.1
67.05511	12.1
69.03429	2.5
69.07060	5.8
69.73058	3.5
69.73481	3.0
71.04973	1.5
71.08630	9.3
73.59298	1.4
79.05494	7.4
81.03403	4.4
81.07065	8.7
83.04993	5.0
83.08597	3.7
85.02886	1.1
87.53262	1.0
91.05490	8.4
93.07037	6.7
95.04977	6.4
95.08627	8.5
97.02853	3.2
97.06518	4.1
97.10168	3.5
98.21441	2.0
99.04475	1.6
99.08087	7.0
105.07027	5.1
106.07320	1.2
107.04939	1.7
107.08628	5.7
109.06524	3.5
109.10169	5.8
111.04454	1.5
111.08074	2.5
117.06980	2.0
119.08583	7.8
121.10128	4.7
123.04428	2.8
123.08060	4.6
123.98292	1.3
125.09647	5.5
129.06960	2.1
131.08557	3.9
133.10118	3.4
135.08038	2.0
137.09616	4.2
139.11185	1.5
143.08577	1.2
145.10149	3.3
147.04425	1.9
147.11661	2.6
149.02345	5.9
151.11159	7.4
157.10115	1.6
159.11682	2.6
161.09622	1.3
163.11235	1.2
164.04669	9.7
165.05444	2.2
165.09175	2.1
165.12822	2.0
167.03401	7.2
167.10667	8.6
171.11749	1.1
173.11749	1.5
173.13190	1.7
175.03938	3.2
175.11246	2.6
177.12701	1.6
189.11229	3.5
193.12250	5.0
205.05006	1.2
211.13297	11.4
217.04938	1.3
229.07510	3.9
229.14264	1.9
245.04582	2.2
247.08444	1.8
259.06058	1.8
262.98105	1.5
267.08957	1.6
285.10022	1.3
287.02518	1.1
287.05502	26.3
293.21082	12.7
299.25699	3.6
301.07129	2.1
310.21567	1.6
313.03445	3.4
313.07187	4.4
315.01590	2.0
315.04987	17.3
320.13855	3.1
329.06647	2.0
330.03674	3.0
330.07303	42.9
345.06018	8.9
345.09702	100.0
345.22879	2.8
345.29041	2.0
346.10004	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	345.2037
Annotation	(-)-11-nor-9-carboxy-Delta9-THC
Peak:m/z	Relative Intensity
50.74162	0.5
53.43776	0.5
55.05501	1.2
56.11721	0.5
62.73213	0.5
67.05499	1.3
69.07067	0.8
69.97546	1.4
69.97958	1.0
79.05502	1.0
81.07039	1.0
91.05467	0.8
93.07040	0.7
95.04945	0.5
95.08612	0.8
98.20775	0.7
104.99286	1.0
107.08585	0.7
109.10174	0.9
109.39903	0.5
121.44864	0.5
138.05231	0.6
147.04199	1.8
155.41302	0.5
166.09563	0.9
193.12202	2.7
194.12619	4.5
213.09642	0.6
229.07552	0.9
261.11044	1.9
276.13385	1.9
292.19995	3.6
310.20728	0.6
313.03635	0.9
345.06439	3.1
345.20383	100.0
346.20673	2.1
346.33084	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.2038
Annotation	(-)-11-nor-9-carboxy-Delta9-THC
Peak:m/z	Relative Intensity
54.59348	0.8
55.05510	1.7
56.54446	0.8
57.07082	1.0
57.66398	0.9
58.44234	0.8
64.91192	0.8
67.05501	3.2
69.07072	1.3
71.52005	1.1
74.16804	0.8
79.05502	2.1
81.07050	3.1
83.08646	1.4
89.59686	0.9
91.05505	1.4
93.07055	1.7
95.08633	2.4
104.99303	1.4
105.07065	1.1
106.07386	0.8
107.08634	2.3
109.10183	3.2
121.10114	1.5
122.10489	1.4
123.11676	0.9
133.10193	1.5
135.11719	0.9
137.09573	0.9
147.11664	1.6
150.13681	1.0
201.16364	1.0
205.89165	0.8
226.58298	0.8
271.20844	1.0
278.21982	4.7
296.23065	2.1
310.24680	1.0
313.03537	2.1
315.01349	2.5
330.03824	2.2
345.06155	6.6
345.20416	100.0
346.20651	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1698
Annotation	Laxiflorin B
Peak:m/z	Relative Intensity
53.03941	1.8
55.01865	4.3
55.05517	2.8
57.03416	1.3
60.04511	2.7
65.03930	2.1
67.05521	5.9
69.03424	7.4
69.07059	5.7
70.00603	3.2
70.01013	3.2
70.02943	2.9
70.06589	8.4
71.04964	1.5
72.08142	1.7
79.05499	6.4
81.03400	4.2
81.07061	11.9
83.04974	1.8
84.04514	1.5
84.08128	4.7
85.02906	3.5
85.06525	2.8
86.09709	3.7
87.05595	2.1
91.05491	10.8
93.07050	9.1
94.06580	10.3
95.04980	7.2
95.08609	5.4
96.04484	1.6
97.02901	2.8
97.06529	2.0
98.97591	2.4
99.08102	2.7
101.66027	1.2
103.05454	1.8
105.07040	11.6
107.04971	7.1
107.08598	6.4
108.04528	2.0
108.08164	1.2
109.02886	2.6
109.06548	3.7
109.10186	2.1
112.07652	1.8
115.05431	2.1
116.05001	2.1
116.07099	1.9
117.07005	4.4
119.00548	1.2
119.04936	3.7
119.08576	5.0
121.02843	1.5
121.06512	5.8
121.10123	3.2
122.06040	17.2
122.06981	1.6
123.04455	7.8
123.08083	2.3
123.11732	1.6
124.03957	1.2
125.09647	1.3
129.06998	5.0
129.10283	1.5
131.04935	26.0
131.08543	4.9
133.06512	8.3
133.10121	5.2
135.07990	1.8
136.07576	4.0
137.04114	1.1
137.05972	4.7
139.11143	1.7
140.07079	23.7
141.06955	2.9
142.07712	1.2
142.10724	1.3
143.08566	5.2
144.04462	8.5
145.02859	2.9
145.06477	9.6
145.10106	2.7
146.06012	3.7
147.04399	7.7
147.08028	5.5
147.11653	1.3
149.05980	4.8
150.12871	1.3
151.11255	1.9
155.05020	1.5
155.08577	2.4
157.06517	3.8
157.09958	2.5
159.08054	2.9
161.05989	100.0
161.09624	5.5
162.05508	4.0
163.03854	2.3
165.05568	3.0
165.07013	1.5
167.08543	1.6
168.13818	3.6
169.06496	2.3
169.10130	2.8
171.08032	3.4
171.11734	1.7
172.03946	32.8
173.05995	5.1
173.09636	2.2
174.05476	3.5
175.03941	3.6
175.07594	1.9
178.07721	2.3
179.08502	2.1
179.10730	2.1
181.06502	2.5
181.10048	1.5
183.08005	2.9
183.13803	16.1
185.05981	1.5
186.14888	4.0
187.07497	3.0
187.13264	1.7
189.09271	1.4
192.13869	2.6
193.04984	2.6
193.10104	2.1
194.15369	2.3
195.08083	4.5
197.05945	2.5
197.09525	1.6
199.07643	1.3
199.11258	1.5
203.08600	1.3
204.06567	55.3
205.10143	3.5
206.08168	10.5
206.11047	1.7
207.08015	1.5
207.11655	1.8
209.09605	2.9
211.07724	2.1
211.11249	3.1
213.09109	2.0
218.07265	2.2
219.08015	2.1
220.13377	11.5
221.09633	9.2
221.13255	1.4
223.07588	1.9
223.11205	3.9
225.09106	1.8
225.12804	1.7
231.08147	2.0
232.08740	1.8
233.09576	9.9
235.11148	2.5
237.02757	1.3
237.12802	1.7
238.14398	8.8
239.10686	3.8
239.14430	1.6
249.09210	1.4
249.12697	1.7
251.10692	2.2
251.14369	2.3
253.12263	2.5
255.17250	3.4
261.12665	3.6
263.14316	2.9
265.12265	3.5
267.13745	3.0
273.12830	2.0
279.13760	6.8
281.15393	4.7
291.13797	10.0
297.15018	3.7
300.12161	1.6
301.17618	35.2
309.14874	13.0
313.03329	1.9
315.01563	1.6
327.09097	1.9
327.12460	1.5
327.16058	24.3
327.19714	5.5
328.16226	1.5
330.03629	1.8
345.06027	4.1
345.10291	2.6
345.13297	1.5
345.17230	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	345.1698
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.8
55.01865	4.3
55.05517	2.8
57.03416	1.3
60.04511	2.7
65.03930	2.1
67.05521	5.9
69.03424	7.4
69.07059	5.7
70.00603	3.2
70.01013	3.2
70.02943	2.9
70.06589	8.4
71.04964	1.5
72.08142	1.7
79.05499	6.4
81.03400	4.2
81.07061	11.9
83.04974	1.8
84.04514	1.5
84.08128	4.7
85.02906	3.5
85.06525	2.8
86.09709	3.7
87.05595	2.1
91.05491	10.8
93.07050	9.1
94.06580	10.3
95.04980	7.2
95.08609	5.4
96.04484	1.6
97.02901	2.8
97.06529	2.0
98.97591	2.4
99.08102	2.7
101.66027	1.2
103.05454	1.8
105.07040	11.6
107.04971	7.1
107.08598	6.4
108.04528	2.0
108.08164	1.2
109.02886	2.6
109.06548	3.7
109.10186	2.1
112.07652	1.8
115.05431	2.1
116.05001	2.1
116.07099	1.9
117.07005	4.4
119.00548	1.2
119.04936	3.7
119.08576	5.0
121.02843	1.5
121.06512	5.8
121.10123	3.2
122.06040	17.2
122.06981	1.6
123.04455	7.8
123.08083	2.3
123.11732	1.6
124.03957	1.2
125.09647	1.3
129.06998	5.0
129.10283	1.5
131.04935	26.0
131.08543	4.9
133.06512	8.3
133.10121	5.2
135.07990	1.8
136.07576	4.0
137.04114	1.1
137.05972	4.7
139.11143	1.7
140.07079	23.7
141.06955	2.9
142.07712	1.2
142.10724	1.3
143.08566	5.2
144.04462	8.5
145.02859	2.9
145.06477	9.6
145.10106	2.7
146.06012	3.7
147.04399	7.7
147.08028	5.5
147.11653	1.3
149.05980	4.8
150.12871	1.3
151.11255	1.9
155.05020	1.5
155.08577	2.4
157.06517	3.8
157.09958	2.5
159.08054	2.9
161.05989	100.0
161.09624	5.5
162.05508	4.0
163.03854	2.3
165.05568	3.0
165.07013	1.5
167.08543	1.6
168.13818	3.6
169.06496	2.3
169.10130	2.8
171.08032	3.4
171.11734	1.7
172.03946	32.8
173.05995	5.1
173.09636	2.2
174.05476	3.5
175.03941	3.6
175.07594	1.9
178.07721	2.3
179.08502	2.1
179.10730	2.1
181.06502	2.5
181.10048	1.5
183.08005	2.9
183.13803	16.1
185.05981	1.5
186.14888	4.0
187.07497	3.0
187.13264	1.7
189.09271	1.4
192.13869	2.6
193.04984	2.6
193.10104	2.1
194.15369	2.3
195.08083	4.5
197.05945	2.5
197.09525	1.6
199.07643	1.3
199.11258	1.5
203.08600	1.3
204.06567	55.3
205.10143	3.5
206.08168	10.5
206.11047	1.7
207.08015	1.5
207.11655	1.8
209.09605	2.9
211.07724	2.1
211.11249	3.1
213.09109	2.0
218.07265	2.2
219.08015	2.1
220.13377	11.5
221.09633	9.2
221.13255	1.4
223.07588	1.9
223.11205	3.9
225.09106	1.8
225.12804	1.7
231.08147	2.0
232.08740	1.8
233.09576	9.9
235.11148	2.5
237.02757	1.3
237.12802	1.7
238.14398	8.8
239.10686	3.8
239.14430	1.6
249.09210	1.4
249.12697	1.7
251.10692	2.2
251.14369	2.3
253.12263	2.5
255.17250	3.4
261.12665	3.6
263.14316	2.9
265.12265	3.5
267.13745	3.0
273.12830	2.0
279.13760	6.8
281.15393	4.7
291.13797	10.0
297.15018	3.7
300.12161	1.6
301.17618	35.2
309.14874	13.0
313.03329	1.9
315.01563	1.6
327.09097	1.9
327.12460	1.5
327.16058	24.3
327.19714	5.5
328.16226	1.5
330.03629	1.8
345.06027	4.1
345.10291	2.6
345.13297	1.5
345.17230	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	345.1448
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	0.6
55.05505	0.8
63.87551	0.3
65.03938	0.8
67.05508	2.8
68.05029	1.2
69.03428	0.8
69.07076	4.4
70.06601	0.8
70.82450	0.4
71.51869	0.7
79.05491	1.5
80.05009	1.1
81.03418	0.5
81.07046	0.8
84.01972	0.4
84.08122	0.9
86.09715	0.8
89.03912	1.3
91.05492	1.6
93.05791	0.8
93.07045	0.6
94.06571	13.9
95.04961	1.7
95.08611	0.5
96.04518	0.4
97.06554	0.7
98.97599	0.5
104.04990	0.4
105.07022	1.7
107.04917	0.4
107.08615	0.6
108.08129	1.6
109.06508	0.5
110.06053	1.8
112.07601	2.4
116.04205	0.6
116.04983	5.8
117.07020	0.7
118.06531	0.4
119.08571	0.5
120.08082	0.4
121.06518	0.7
122.06035	27.0
123.03642	0.4
123.04454	2.0
124.53062	0.4
129.85179	0.4
131.04947	1.0
131.08534	0.4
133.06473	0.6
133.10217	0.5
136.07573	0.4
137.02327	0.8
137.05998	1.9
140.07069	35.9
141.07848	1.2
143.08627	0.4
144.04454	13.5
145.06441	0.5
146.06029	8.5
147.04420	1.2
147.06857	0.4
147.07980	0.4
148.07596	0.6
154.08684	0.4
155.08505	0.4
159.07979	0.5
161.05989	35.2
162.05486	6.3
163.03943	0.5
165.05475	0.6
172.03938	55.5
173.04390	0.4
174.05524	3.2
175.03860	0.6
178.08716	0.7
187.07487	0.6
189.04221	0.4
190.05019	1.6
192.06654	0.4
204.06567	100.0
205.07080	1.3
206.08134	18.0
211.07591	0.4
220.13388	0.5
227.41759	0.4
232.64546	0.4
233.09656	0.4
249.12859	0.5
251.10724	0.6
263.14120	0.6
265.12195	0.7
267.13733	0.5
274.46622	0.4
281.15286	0.5
291.13797	1.3
299.16614	0.5
300.12222	1.7
301.17651	1.8
309.15005	2.1
313.03354	0.4
313.11862	3.2
327.12558	0.5
327.16275	3.2
327.19568	0.6
328.11847	0.5
331.12863	2.3
345.05905	1.3
345.13907	2.3
345.16986	4.5
346.09229	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1152
Annotation	Clotrimazole
Peak:m/z	Relative Intensity
59.60556	0.9
66.83449	1.0
67.05499	1.7
70.06568	1.7
70.80874	1.0
71.03088	1.4
71.03423	2.2
72.08147	2.0
81.03429	1.9
81.07042	1.7
84.04517	1.0
84.71583	0.9
86.09696	3.3
89.06049	7.9
90.06358	3.1
91.05473	1.8
95.04985	0.9
97.73717	0.9
98.97578	1.8
121.02851	1.2
131.35028	1.0
133.08604	3.4
134.08923	2.7
137.05948	1.9
138.09113	2.0
141.07034	0.9
147.04393	2.8
153.31641	0.9
153.62787	0.9
161.06007	2.6
162.02118	0.9
173.06027	1.4
189.12732	1.5
210.06543	1.3
227.05241	1.2
239.14362	1.3
249.38902	0.9
259.11557	2.0
267.13754	2.4
271.04227	1.2
273.03946	5.0
273.31189	1.0
277.11456	0.9
281.15308	2.4
283.11285	1.2
301.12595	15.9
309.14893	1.9
313.03204	1.4
315.01517	1.4
327.15967	3.1
328.20718	4.7
345.11539	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.2797
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05519	40.7
57.03423	10.6
57.07057	7.4
67.05509	100.0
69.03426	9.4
69.07076	27.7
69.24581	38.0
71.04994	28.3
71.08624	14.4
79.05487	47.7
81.03386	10.8
81.07060	96.3
83.04968	18.6
83.08598	20.5
85.06551	8.7
85.47289	4.8
91.05489	38.9
92.55526	4.5
93.07036	74.2
95.04951	12.4
95.08172	5.0
95.08625	56.5
97.06541	13.0
97.10150	19.5
99.08083	17.0
105.07015	21.6
107.08604	32.5
109.06522	9.1
109.10165	46.2
111.08034	9.1
117.06989	12.1
119.08580	26.6
121.06467	5.8
121.10149	26.0
129.07063	7.6
131.08565	12.5
133.10126	19.1
135.11679	23.1
137.09598	12.2
139.07518	6.1
139.11172	22.5
145.10156	10.1
147.11670	17.6
149.13269	39.5
151.11195	12.6
155.10649	11.7
157.10141	6.7
159.11641	19.0
161.13258	16.0
165.12758	5.1
173.10480	5.8
173.11681	30.0
175.07570	4.9
177.12787	10.1
181.92563	5.6
187.13271	7.6
192.10291	6.7
193.12253	6.2
195.13821	34.7
213.14818	6.3
227.16435	8.7
241.19415	8.3
249.22014	5.3
259.20590	14.8
270.71692	5.2
277.21655	86.1
291.23193	12.2
295.22714	31.1
309.24219	33.1
344.18622	43.6
344.37991	12.5
345.06036	9.4
345.20276	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	344.2795
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	4.3
55.05271	3.9
55.05513	46.3
55.30008	2.0
58.06597	4.3
59.04978	2.7
64.14120	2.0
67.05508	26.3
69.03420	6.6
69.07071	14.3
71.04993	2.6
71.08636	16.0
71.45630	2.3
71.52369	3.0
79.05508	17.4
81.03413	3.4
81.05058	1.9
81.07064	20.1
83.04958	3.3
83.08620	34.9
83.67606	2.1
85.06538	2.7
90.79792	2.0
91.05481	7.6
93.07059	16.4
95.05016	5.3
95.08605	5.2
97.10172	75.9
99.08097	19.6
105.07023	4.7
107.08591	32.8
109.10142	6.6
111.08084	3.2
119.08574	2.8
121.06548	2.9
121.10147	4.4
123.11732	2.5
125.09632	65.3
126.12826	7.2
132.85556	2.3
133.10149	3.8
134.34909	2.1
135.08057	17.7
135.11696	6.7
139.07533	2.6
145.10114	3.4
147.11743	2.8
149.13168	3.1
151.11186	7.2
153.09077	12.3
157.12248	6.4
161.13293	5.9
163.11131	2.7
163.14911	2.9
171.10223	5.0
171.11749	2.7
175.14864	2.4
192.10220	4.5
193.15903	3.3
203.12790	100.0
223.73738	2.1
225.18472	2.9
228.16998	2.4
259.20401	5.2
267.10153	2.3
277.21664	46.5
281.11749	2.6
282.12442	3.2
291.23160	12.5
309.24298	32.0
321.36938	2.2
327.07803	2.3
334.26804	2.3
344.14743	1.6
344.18607	46.0
344.22583	3.6
345.06027	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	344.2796
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	13.7
55.05516	55.2
57.03428	8.9
57.07067	14.3
67.05509	89.2
69.03423	7.2
69.07072	56.2
69.75959	19.1
71.04983	7.0
71.08634	32.8
74.06104	5.3
79.05496	58.1
81.07058	100.0
83.04985	26.9
83.08620	29.5
85.06534	10.5
88.07617	13.9
91.05476	50.5
93.07049	95.4
95.04983	27.3
95.08611	75.0
97.06524	21.1
97.10171	12.3
99.08094	40.6
105.07039	34.2
107.08579	39.9
109.10171	30.3
111.08090	9.3
117.06970	6.1
119.08593	35.4
121.06535	5.3
121.10150	31.6
123.08067	6.7
123.11758	10.3
125.09634	14.2
129.07005	13.5
131.08588	15.1
133.10139	38.9
135.08054	5.9
135.11682	21.8
137.09610	6.6
139.07552	9.0
139.11174	48.2
143.08571	6.0
145.10138	11.5
147.11691	20.7
149.13272	28.8
151.11206	19.5
153.09138	5.5
157.10141	9.5
159.11716	20.3
161.13258	26.0
163.11203	14.7
165.12773	9.2
171.11670	10.3
173.11746	9.6
173.13274	6.9
175.11197	11.2
175.14861	13.7
177.12740	7.4
181.91672	5.3
185.13229	10.5
193.12256	6.8
195.13882	24.1
207.13713	5.7
215.17902	5.3
217.19429	7.3
221.15399	9.0
231.21147	11.1
241.19498	20.4
259.20584	20.2
277.21628	90.6
278.10934	5.2
291.23172	26.5
309.24213	22.0
344.18469	29.0
344.31570	22.1
344.38052	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	344.2796
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	3.9
53.81546	2.7
55.01886	5.2
55.05508	17.2
57.07065	8.2
58.06602	4.9
67.05179	3.4
67.05510	33.4
69.03430	4.2
69.07059	12.3
69.85202	4.5
69.85607	12.2
71.08619	8.8
79.05504	19.4
81.07057	29.7
83.04988	7.9
83.08612	9.4
85.02895	4.8
87.89327	2.8
88.02226	4.1
88.07623	3.9
91.05470	12.4
93.07029	23.9
95.04948	5.5
95.08611	18.0
97.06524	8.0
97.10177	8.2
98.21484	6.5
99.08102	8.0
105.07020	9.1
107.08599	17.0
109.10132	7.7
119.08557	10.8
121.10133	11.2
125.09634	6.8
131.08601	5.7
133.10130	9.5
135.11678	13.4
139.11211	14.8
145.10210	4.4
147.11646	7.2
149.13268	10.0
151.07596	4.2
151.11206	4.0
157.10188	4.0
159.11685	11.3
161.13210	6.8
165.05467	6.5
175.03976	5.5
192.10223	6.6
193.12219	3.7
194.35025	3.5
195.13835	11.6
203.12767	6.3
238.09827	4.5
238.62059	3.6
259.20432	3.9
277.21634	30.7
281.11584	5.7
282.12415	5.2
284.10431	4.0
291.23184	6.3
309.24411	9.3
313.03394	4.1
315.01382	3.4
327.08557	5.8
344.18597	100.0
344.35257	9.7
345.06213	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	344.2434
Annotation	Unknow
Peak:m/z	Relative Intensity
50.11552	1.4
55.01871	3.5
55.05503	6.8
57.07084	1.8
58.06598	2.1
62.95465	1.5
66.88998	1.6
67.05521	7.5
69.03432	2.4
69.07053	1.8
70.06618	1.6
71.04990	2.1
71.08624	6.9
71.52077	2.2
74.17961	1.6
79.05480	4.9
81.03404	3.5
81.07048	6.7
83.08655	1.9
88.07623	2.5
91.05473	5.7
93.07039	7.7
94.59097	1.6
95.04945	5.0
95.08611	7.6
96.08943	3.3
97.06516	1.7
97.10190	3.2
99.08102	7.5
105.07032	7.4
106.07348	3.8
107.08590	5.7
109.02893	1.6
109.06539	2.5
109.10161	2.2
117.07033	2.0
118.29801	1.5
119.08569	3.1
121.06496	2.8
121.10163	2.2
123.04442	4.1
123.08055	2.5
125.09683	3.2
133.10161	2.8
135.08031	1.6
135.11646	2.0
137.05969	4.5
137.09645	1.9
145.10147	5.8
146.10507	4.1
151.07529	4.7
157.10129	1.8
158.04350	1.7
161.09560	2.1
163.11200	3.7
164.11525	4.2
165.09108	10.0
166.09442	2.3
193.12259	100.0
194.12674	1.9
222.15715	2.6
225.31326	1.8
239.40999	1.6
269.11661	1.8
277.18054	2.7
281.11725	2.4
282.12384	2.3
286.25919	1.9
291.19550	28.2
309.20599	3.5
326.21771	2.3
344.18555	33.0
344.22900	15.1
344.31555	4.3
344.35223	2.0
345.06140	2.9
345.20181	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	344.2432
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	7.4
55.01868	4.7
55.05516	60.7
56.96579	10.9
57.03444	15.6
60.34729	2.1
67.05507	31.2
69.03411	10.3
69.07080	12.7
70.02953	28.5
70.06595	6.0
71.04981	4.5
71.52952	4.4
73.02926	2.4
73.49159	2.1
76.52795	2.0
79.05498	83.3
81.03434	21.1
81.07065	26.3
83.04977	7.2
83.08620	33.9
85.02898	3.0
85.06522	2.7
91.05475	24.0
93.07047	100.0
93.07640	5.1
95.04960	10.2
95.08596	24.4
97.06545	6.0
97.10177	78.8
98.97592	3.9
99.08068	3.6
100.03947	8.1
103.05432	2.7
105.04498	3.1
105.07041	13.2
107.04951	2.6
107.08611	22.5
109.06494	5.6
109.10188	5.1
117.07027	5.2
119.08575	8.3
121.06522	3.6
121.10150	55.0
123.04473	2.2
123.08081	20.0
125.09632	63.5
131.08644	2.8
133.10193	3.6
135.08015	5.4
137.09647	3.3
139.03915	4.5
139.11188	5.1
141.09094	9.7
143.08551	3.0
143.10660	2.9
145.10101	3.8
146.11749	19.7
147.58682	2.5
153.09091	3.5
161.09586	2.9
163.03905	8.2
165.09160	4.1
169.10143	2.6
171.10176	7.7
175.07687	3.1
189.11234	88.3
192.03700	3.3
192.10181	3.2
193.12415	2.1
195.26213	2.8
208.13290	6.0
215.06845	3.0
215.56651	4.5
217.15938	2.6
221.15370	16.3
223.13234	22.7
226.14400	9.4
229.07469	3.2
256.15622	2.8
267.09027	3.7
273.18503	6.6
291.19595	21.2
294.06500	3.0
302.59518	2.9
309.20651	31.8
344.18463	21.5
344.25607	5.7
345.05902	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	344.2432
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	11.2
55.01875	12.0
55.05520	62.4
56.96561	18.1
57.03423	13.3
57.07066	8.1
58.06598	5.8
67.05508	94.5
69.03430	10.4
69.06771	5.3
69.07069	53.1
71.01329	6.7
71.04996	19.9
71.52084	6.5
75.64146	4.8
79.05501	75.8
81.03421	21.2
81.07065	100.0
83.04971	22.5
83.08625	39.0
85.02902	18.7
91.05495	64.3
93.07059	74.5
95.04982	36.9
95.08616	72.6
95.33234	5.2
96.08919	5.1
97.06548	18.3
97.10188	11.2
99.08105	6.3
105.07049	42.2
107.04977	9.3
107.08607	51.0
108.69260	4.6
109.06516	19.5
109.10184	28.1
111.04426	11.3
111.08096	47.4
117.07033	14.4
119.08568	33.8
121.06544	9.1
121.10151	47.8
123.08071	15.5
125.09649	16.7
129.07036	6.2
131.08583	20.2
133.06490	5.0
133.10147	36.0
135.08078	14.0
135.11685	23.8
137.09618	21.3
139.11209	11.9
143.08580	9.6
145.10088	18.3
147.08073	5.6
147.11674	6.3
148.44199	5.2
149.09625	26.7
151.11197	12.4
157.10143	15.3
161.09627	14.7
163.11235	12.2
164.15279	6.0
167.10640	16.4
171.11629	6.0
173.11775	11.8
175.11203	12.8
179.10655	13.5
181.12259	12.7
191.10620	7.7
193.12314	11.1
209.11638	8.2
223.14258	6.7
241.14046	6.0
241.23634	5.4
255.09128	9.9
273.18536	12.9
291.19473	15.6
344.14877	7.5
344.18634	75.2
344.25748	9.8
344.31625	38.7
345.06183	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	344.2432
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	2.3
53.13895	1.4
54.69909	1.5
55.01869	3.2
55.05499	5.9
57.03437	7.6
65.03935	1.6
65.29435	1.5
67.05509	20.3
69.06722	2.2
69.07072	24.1
69.13799	1.2
69.75797	6.5
69.76198	3.0
71.04996	10.0
73.02911	1.6
73.25520	1.3
79.05493	24.5
81.03427	11.4
81.07055	18.2
83.04976	4.4
83.08575	3.7
85.06537	3.8
87.56741	1.3
91.05481	13.5
93.07040	16.3
95.04964	16.3
95.08611	13.0
97.06536	100.0
97.10177	1.6
98.14354	1.3
99.08096	5.2
103.05469	1.3
105.07018	9.9
107.04964	3.6
107.08618	7.7
109.06499	6.7
109.10150	4.8
113.06013	2.1
115.07572	20.9
117.07014	6.4
119.08607	6.8
121.06511	2.3
121.10114	4.4
123.11729	1.4
125.09616	1.6
129.07008	2.8
131.08530	6.9
133.10178	6.6
135.08069	3.3
135.11679	4.6
143.08574	1.8
145.10126	5.4
147.08052	1.7
147.11693	3.3
149.09595	2.6
149.13342	2.9
151.11165	2.3
157.10139	2.2
159.11685	5.1
161.09624	1.6
173.13263	1.4
177.12764	6.1
187.11246	2.0
194.19247	1.4
195.13797	5.6
223.13301	2.7
273.18460	4.5
291.19476	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	344.134
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.6
55.01868	0.7
55.08441	0.5
56.34938	0.4
56.96556	0.6
57.03433	1.3
57.08943	0.5
60.04526	1.8
61.02926	4.1
61.49512	0.4
63.79381	0.4
69.03429	5.8
70.26074	0.4
70.26409	1.5
71.04996	0.9
72.48218	0.5
73.02921	1.5
76.62293	0.5
77.02697	0.5
81.03429	2.7
82.95376	0.4
85.02908	18.3
87.04462	1.3
89.03923	0.6
91.03985	0.7
91.05485	11.2
94.47327	0.5
96.04517	0.4
97.02900	7.0
98.21387	0.5
99.04440	0.6
103.05447	1.0
109.02882	1.7
114.57171	0.4
115.40709	0.5
117.03343	0.5
119.04942	31.7
121.06516	0.9
123.04440	3.4
127.03899	3.5
135.04402	1.1
136.07579	75.3
145.02766	0.8
145.04961	3.7
147.04395	2.8
153.04079	0.5
154.04482	0.6
163.03929	4.7
164.07085	2.0
165.05472	9.3
178.08629	1.4
182.08131	100.0
183.08360	0.5
211.04596	3.2
212.04959	4.8
224.09160	2.8
248.09050	0.6
250.99043	0.4
272.77856	0.5
285.11124	0.5
308.11221	1.6
326.12405	1.5
344.13379	3.5
344.18018	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.1341
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03428	1.2
57.86008	0.4
61.02913	1.6
63.42993	0.4
69.03432	3.3
71.04987	0.6
71.16005	0.6
71.89856	0.5
81.03419	1.1
82.57241	0.4
84.08115	0.5
85.02911	18.3
86.09716	0.8
89.06040	0.5
91.03949	0.7
91.05486	3.9
97.02896	4.0
99.04472	0.6
104.16689	0.4
109.02884	1.6
116.07095	1.1
119.04952	17.3
119.05798	1.0
123.04427	2.1
127.03918	2.4
145.04958	3.6
147.04417	100.0
148.04755	0.8
155.77951	0.5
163.03973	0.8
163.05984	0.5
164.04237	0.7
165.05486	55.1
180.08707	1.9
182.08179	1.2
207.52878	0.4
216.08841	0.4
249.07716	0.7
309.09723	0.6
344.13483	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.1341
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03433	1.0
61.02925	1.4
69.03418	4.2
69.36184	4.1
74.06313	0.5
79.64034	0.5
81.03402	0.7
85.02910	16.7
91.05482	5.2
97.02901	3.6
98.21452	1.1
98.48538	0.5
99.04448	1.0
103.36030	0.5
106.94630	0.5
109.02859	1.6
116.07114	0.8
119.04957	16.5
123.03448	0.6
123.04441	1.9
125.46693	0.6
127.03915	2.8
127.87692	0.6
145.04941	3.0
147.04417	100.0
148.04753	1.0
155.56923	0.5
165.05487	52.2
180.08618	2.0
182.07918	0.6
205.08762	0.6
226.35371	0.6
309.09534	1.0
344.13504	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.2845
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	7.7
55.01863	8.2
55.05518	20.7
56.96555	8.8
57.03421	4.8
57.07063	11.6
58.55070	2.5
59.05007	4.2
67.05507	41.1
69.03445	15.7
69.06730	4.0
69.07072	59.1
70.06589	3.8
71.04980	11.9
71.08625	5.2
71.52900	2.9
79.05492	27.8
81.03419	18.7
81.06590	5.6
81.07060	100.0
83.04967	10.2
83.08636	17.0
85.02876	8.4
85.06536	8.3
89.03932	3.5
91.05483	27.2
91.70208	2.6
93.07053	62.8
95.04956	23.3
95.08607	77.1
97.02884	8.6
97.06525	11.1
97.10157	11.3
98.97565	12.2
99.08064	5.0
103.05499	3.1
105.07043	30.6
107.04951	8.7
107.08600	46.9
109.06536	24.1
109.10162	53.6
111.04438	4.1
111.08086	14.5
111.11713	11.3
113.06004	6.7
115.05441	5.6
115.07569	3.6
116.98608	4.5
117.07013	8.5
119.04926	8.4
119.08582	24.2
121.06499	11.6
121.10156	34.6
123.04442	37.2
123.08071	11.3
123.11722	31.6
125.05982	6.3
125.09623	9.3
125.13248	2.9
127.03938	3.8
127.07539	3.0
129.07024	4.1
131.04924	7.1
131.08534	5.9
133.02821	2.8
133.06482	12.1
133.10123	14.7
135.04440	21.1
135.08046	7.6
135.11674	25.0
137.05983	22.3
137.09596	6.8
137.13272	20.2
139.03911	18.5
139.11188	10.0
140.77811	3.1
143.08643	3.5
145.02846	4.7
145.04868	3.8
145.10144	13.3
147.04430	20.1
147.08060	3.3
147.11722	16.0
149.06006	6.5
149.13274	15.5
151.03931	3.2
151.07558	7.5
151.11180	7.2
153.09093	7.1
153.12726	9.6
157.10173	2.9
158.99608	6.1
159.10356	2.8
159.11687	10.6
161.05971	10.1
161.09572	3.0
161.13251	7.6
163.03905	56.5
163.07526	12.2
163.11179	16.7
163.14787	6.4
164.04250	2.6
165.05516	15.9
165.12811	4.5
167.10669	2.8
173.05972	4.2
173.11681	3.2
173.13197	4.8
175.07545	24.2
175.14775	4.7
177.16373	6.7
181.04968	50.8
181.06528	4.8
181.12157	8.5
187.14798	3.1
189.16380	4.9
191.03406	67.2
191.07053	25.4
191.17924	2.8
203.03473	4.8
203.17870	2.6
215.17929	3.7
221.04419	6.2
271.24326	4.8
277.25275	5.5
282.08704	2.8
289.25339	14.0
293.11639	4.1
307.26123	9.6
311.12610	3.7
325.10751	4.0
325.14215	5.5
343.08072	17.7
343.11765	18.9
343.15646	18.3
343.22833	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.2846
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	6.7
55.01865	8.5
55.05313	2.0
55.05513	23.2
56.96562	9.8
57.03437	6.3
57.07065	8.4
59.04987	2.6
65.03928	6.3
66.40249	2.7
67.05505	36.9
69.03441	15.6
69.07073	61.4
71.04994	12.1
71.52887	2.2
71.55247	2.3
72.27635	2.6
73.02891	2.8
75.92032	2.3
79.05086	2.1
79.05499	27.8
81.03426	21.7
81.07059	100.0
83.04971	16.1
83.08617	16.5
85.02889	8.5
85.06528	8.0
85.53181	2.4
91.05486	29.2
93.07048	66.3
95.04979	23.7
95.08611	76.9
97.02879	8.6
97.06539	13.7
97.10162	7.7
98.97592	11.6
99.04471	3.8
99.08093	4.0
104.13131	2.7
105.07031	26.0
107.04958	9.3
107.08600	46.7
109.02885	3.3
109.06515	23.6
109.10149	46.1
111.04414	5.0
111.08084	12.4
111.11707	9.2
113.05997	5.2
115.05431	2.8
117.03381	2.7
117.07014	5.8
119.04949	8.6
119.08596	17.5
121.06503	8.9
121.10150	33.2
123.04433	30.2
123.08062	8.0
123.11701	32.6
125.05979	3.3
125.09660	5.5
127.03864	5.5
129.06996	4.6
131.04871	4.7
131.08572	7.6
133.02864	2.4
133.06505	5.7
133.10161	15.8
135.04408	20.5
135.08035	8.8
135.11714	15.3
137.05992	16.3
137.09685	4.0
137.13245	17.2
139.03944	15.8
139.11200	9.1
141.09084	2.9
143.08565	3.8
145.02843	5.9
145.06462	4.4
145.10149	11.5
147.04398	16.3
147.11700	14.8
149.05977	4.0
149.09630	3.5
149.13292	11.3
151.03915	3.5
151.07571	3.8
151.11195	8.2
151.62920	2.4
153.09106	6.4
153.12799	4.5
155.04852	2.4
155.10699	5.6
157.06541	2.7
158.99713	4.0
159.08078	4.3
159.11691	11.4
161.05997	6.6
161.13289	4.2
163.03918	40.0
163.07481	7.4
163.11212	13.2
163.14799	7.6
164.04221	2.4
165.05455	6.7
165.09105	3.4
165.12767	5.1
169.12190	3.1
171.11668	2.5
173.01180	2.5
173.06068	4.6
173.13252	3.4
175.07553	25.0
175.11191	4.1
175.14784	6.1
177.05563	3.8
177.16386	6.2
181.04958	48.8
181.08553	3.9
181.10455	2.2
181.12212	7.3
187.14732	3.0
189.09073	2.9
189.16345	3.8
191.03416	49.0
191.05180	3.5
191.05522	2.5
191.07054	25.0
215.06775	2.6
215.17963	3.1
219.01740	3.4
267.09460	2.8
271.24173	4.5
277.25180	3.9
282.08936	4.9
289.18097	2.9
289.25137	11.4
307.26309	9.6
315.16263	2.9
325.10782	3.3
325.14258	3.3
325.27539	3.0
327.09836	2.6
343.08069	12.0
343.11783	20.8
343.15662	10.0
346.36771	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	343.2478
Annotation	Unknow
Peak:m/z	Relative Intensity
54.33499	3.3
55.01860	5.8
55.05502	8.5
56.96562	9.5
57.03423	4.3
67.05511	28.2
69.03419	4.3
69.07045	8.3
70.09867	3.8
71.04987	7.8
71.08635	69.9
71.52971	4.2
79.05470	13.9
81.03408	6.3
81.07053	26.4
83.04986	15.1
83.08619	8.5
85.02901	6.9
85.06554	5.1
91.05475	17.1
91.78728	2.9
93.07041	24.6
94.13200	2.8
95.04955	13.5
95.08611	26.8
97.02908	3.8
97.06474	3.7
99.04427	6.4
99.08095	53.7
102.19633	3.1
105.07016	9.7
107.04957	4.2
107.08599	12.1
109.06513	6.7
109.10152	15.5
111.08081	3.9
113.93414	2.9
117.07031	5.0
119.08562	11.0
121.10156	4.1
122.03728	3.5
123.08099	4.3
125.09664	4.3
126.21093	3.1
129.06955	3.5
131.08542	9.3
133.10141	7.4
135.08102	3.8
135.11676	4.6
137.05994	16.2
137.09601	6.9
142.10254	3.1
145.10124	6.1
147.04428	3.5
149.09537	3.7
149.13205	8.2
151.11192	41.0
155.10684	17.8
159.11658	9.8
167.14291	7.1
173.09787	2.8
173.11710	16.6
173.13121	4.8
177.12761	11.4
191.03436	3.5
195.13867	30.9
240.23216	7.6
247.20578	3.9
275.19971	14.5
293.21106	100.0
343.18878	4.1
343.22690	8.1
344.18634	10.7
349.16977	4.1
349.77484	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	343.2268
Annotation	(13S,14S)-epoxymaresin
Peak:m/z	Relative Intensity
53.03934	3.8
55.01871	3.8
55.05513	14.8
57.03425	5.7
57.07053	4.7
59.04987	3.5
59.42223	1.8
59.93730	2.0
67.05237	2.0
67.05508	20.4
69.03429	11.5
69.07068	10.4
69.37781	16.0
71.04980	14.6
77.47679	2.2
77.84105	2.1
79.05135	2.2
79.05499	20.9
81.03422	3.5
81.07063	25.2
83.04984	6.7
85.06525	3.8
86.55977	2.1
91.04971	2.6
91.05481	27.4
93.06482	4.1
93.07046	56.2
95.04385	2.4
95.04972	46.7
95.08606	69.9
97.06528	12.7
98.21462	3.5
105.07028	66.5
107.04946	5.0
107.08600	40.8
109.06504	12.2
109.10128	6.4
115.05421	6.2
117.07005	27.3
119.04965	2.0
119.08587	24.2
121.06505	12.2
121.10163	13.7
123.08066	21.3
128.06190	3.2
129.06978	6.1
130.07784	12.6
131.08557	8.0
133.06483	5.2
133.10146	15.4
135.08066	19.6
135.11699	15.8
137.05988	2.6
137.09610	6.4
142.07761	5.8
143.08563	11.7
145.10129	63.4
146.39395	2.4
147.08055	11.3
147.11693	5.8
149.09618	6.0
151.07550	41.5
153.09044	2.4
155.08600	2.3
155.90248	2.3
156.09384	3.4
157.10124	9.5
159.08060	2.5
159.11714	6.0
159.97954	2.4
160.97327	3.6
161.09595	6.6
161.13258	4.4
163.09860	3.9
163.11185	52.3
165.09102	15.0
168.09305	2.2
169.10168	4.8
171.11659	6.3
173.09598	4.3
173.13245	4.1
175.11212	6.1
177.09131	4.4
179.07063	9.8
183.11708	4.5
185.13283	4.9
187.11221	5.2
187.43965	2.0
189.12738	8.7
201.12759	2.6
203.14265	6.9
207.13815	5.9
209.15417	3.8
215.14267	2.6
217.12209	2.6
221.15390	26.2
225.12576	2.5
227.14093	2.6
245.15430	2.9
263.16476	4.8
269.15222	4.3
286.19342	5.5
287.16376	2.5
307.20679	3.2
325.21561	11.8
343.22647	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	343.2269
Annotation	(13S,14S)-epoxymaresin
Peak:m/z	Relative Intensity
53.03935	4.3
55.01865	5.2
55.05508	14.8
56.96550	3.0
57.03422	7.1
57.07057	8.1
59.04985	5.2
66.63754	1.7
67.05509	22.0
69.03419	8.4
69.07064	4.8
70.62164	2.0
71.05006	19.4
71.75476	1.6
79.05503	14.4
81.03404	3.5
81.07061	24.7
83.04955	2.1
83.08627	2.2
85.06521	3.8
91.05481	26.9
93.06491	2.8
93.07050	48.0
95.04386	3.3
95.04972	42.9
95.08614	61.6
97.06552	11.2
98.17130	1.7
103.05463	2.3
105.07037	56.6
107.04914	4.5
107.08602	39.3
109.06518	11.3
109.10146	6.3
115.05446	4.2
117.07014	22.1
119.08576	20.9
121.06526	10.3
121.10125	14.3
123.04444	1.8
123.08053	16.3
128.06232	1.8
129.06999	4.8
130.07790	11.3
131.08554	6.7
133.06487	4.1
133.10144	11.1
133.10988	1.6
135.04428	2.7
135.07257	1.8
135.08081	18.6
135.11691	12.7
137.06038	2.1
137.09637	4.3
143.08549	7.8
145.06528	2.4
145.10132	63.2
147.08032	7.1
147.11644	4.3
149.09615	4.1
151.06433	3.1
151.07542	32.8
153.09106	2.7
157.10127	9.3
159.07980	4.3
159.11670	5.8
161.09573	9.3
161.13243	3.9
163.11201	50.5
165.09097	13.2
169.10049	2.2
171.11646	3.2
173.09578	1.8
173.13232	4.7
175.11142	2.0
177.09120	3.1
179.07097	3.4
181.12355	1.9
183.11617	3.4
185.09660	2.0
185.13303	2.4
187.11162	4.8
189.09030	2.1
189.12794	7.3
191.03372	4.5
193.10284	2.2
193.12251	5.4
195.11636	2.3
197.13295	3.7
199.14870	2.7
201.12784	2.6
203.14290	7.3
205.22609	1.7
207.10158	2.8
207.13812	4.0
209.15294	3.6
213.12750	2.0
215.14236	3.7
217.12358	2.9
221.15344	26.5
223.14589	1.8
227.14287	2.3
233.15396	2.8
261.25739	1.7
261.38132	1.8
263.16388	7.9
269.15448	2.3
286.19354	4.3
287.16861	1.7
307.20242	2.2
325.21533	9.3
343.08023	4.1
343.19061	6.0
343.22665	100.0
344.23004	2.3
362.23328	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	343.2269
Annotation	(13S,14S)-epoxymaresin
Peak:m/z	Relative Intensity
53.03936	5.3
55.01865	4.8
55.05512	12.2
57.03427	7.3
57.07062	7.9
59.05000	4.3
64.31736	1.8
67.05510	23.8
69.03433	9.5
69.07063	7.7
69.19917	1.5
69.38786	13.4
69.39184	3.9
71.05004	19.2
79.05496	23.5
81.03418	3.3
81.07060	26.0
83.04971	6.0
83.08614	2.3
85.06548	4.4
91.05484	25.2
93.06486	3.6
93.07051	65.1
95.04974	48.4
95.08608	64.8
97.06529	14.2
98.20728	3.3
105.07035	62.4
107.04951	6.1
107.08596	43.1
109.06537	15.8
109.10157	4.0
111.59486	1.7
115.05459	6.5
117.07018	24.1
119.08588	26.8
121.06505	12.6
121.10148	15.1
123.08074	26.9
125.09619	3.2
128.06221	4.2
129.07008	7.5
130.07805	13.5
131.08562	10.4
133.06511	6.5
133.10147	14.8
135.08046	23.9
135.11714	18.2
137.06056	2.8
137.09641	4.4
142.07809	4.2
143.08577	10.2
145.06506	2.4
145.10132	82.8
147.08087	11.0
147.11713	4.1
149.05980	2.2
149.09642	5.2
151.07552	40.0
153.09106	2.9
155.08545	3.2
156.09319	3.4
157.10091	9.8
159.08052	4.6
159.11719	9.9
161.09619	8.4
161.13322	4.5
163.11191	58.1
165.07094	1.8
165.09111	15.1
167.08514	1.9
169.10115	4.3
171.11713	7.3
173.09654	2.9
173.13303	3.4
175.11180	3.4
177.09151	5.2
178.95959	1.8
179.07066	3.1
181.10124	2.2
181.12253	3.6
183.11707	3.8
185.09622	2.0
185.13281	2.1
187.11172	6.8
187.14801	2.5
189.09100	3.6
189.12759	7.6
191.14331	2.9
193.10101	2.9
195.11763	2.4
197.13240	4.2
199.11205	3.3
203.14355	7.8
207.10201	3.3
207.13805	5.5
209.13391	3.2
209.15378	5.1
215.14293	3.0
217.12366	2.9
221.15381	28.3
223.14915	2.3
233.15376	4.0
241.15996	2.4
243.13635	2.8
245.15269	2.0
259.16727	2.2
263.16519	6.2
269.15237	3.0
286.19403	2.4
287.16516	3.5
299.19894	2.1
307.20630	3.5
325.21622	14.8
343.22696	100.0
344.22729	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	343.227
Annotation	(13S,14S)-epoxymaresin
Peak:m/z	Relative Intensity
53.03939	3.4
55.01866	3.7
55.05518	10.3
57.03435	7.2
57.07087	6.1
59.04994	4.6
65.03925	2.2
67.05513	18.5
69.03436	7.6
69.07089	5.8
69.85011	6.0
71.05001	15.3
79.05504	18.7
81.03413	2.6
81.07066	23.2
83.04985	6.2
83.08607	4.4
85.06523	3.5
91.05492	24.7
91.44044	1.1
93.07054	52.5
93.07641	2.8
95.04977	37.3
95.08615	59.1
97.06541	12.1
98.20813	1.5
103.05487	2.2
105.04568	1.2
105.07039	62.0
107.04938	4.9
107.07879	2.1
107.08605	39.4
109.06512	12.1
109.10154	4.8
111.08118	2.6
115.05450	3.8
117.06232	1.7
117.07029	23.9
119.06092	1.5
119.08590	20.2
121.06524	12.5
121.10140	16.5
123.08080	18.6
125.05957	1.5
125.09625	2.1
128.06207	2.7
129.06989	5.6
130.07822	13.3
131.08583	7.6
133.06490	3.7
133.10144	13.8
135.08083	16.6
135.11682	10.2
137.05998	1.9
137.09631	3.7
141.07021	1.6
142.07779	2.5
143.08589	9.8
144.09300	1.4
145.10136	60.9
147.08061	11.5
147.11726	6.1
149.09616	4.9
151.07564	34.2
153.09091	2.9
154.38437	1.3
155.10632	1.5
156.09309	2.4
157.10152	8.7
159.08028	2.6
159.11726	7.5
161.09613	6.9
161.13242	3.4
163.07593	1.6
163.11201	46.3
163.12561	2.4
165.09137	13.9
167.08505	2.1
167.14471	1.2
169.10109	3.1
171.11725	6.5
173.09615	4.2
173.13278	2.6
175.11227	4.0
177.09106	4.4
179.07059	1.3
181.10138	2.2
181.12256	1.7
183.11688	3.4
185.13226	2.2
187.11209	4.6
187.14902	1.6
189.09239	1.3
189.12769	8.2
191.10703	2.7
191.14308	3.1
193.10188	1.9
195.11742	2.8
197.13280	2.3
199.11171	1.5
199.14705	2.3
201.12767	2.1
203.14317	7.1
207.10141	2.6
207.11954	2.1
207.13696	5.4
209.13234	3.1
209.15402	3.1
213.12674	1.5
215.14410	3.2
217.12335	2.5
221.15390	26.6
223.14848	2.1
225.12766	1.4
225.16360	2.1
233.15320	4.7
239.14273	1.5
240.23221	1.6
241.15834	2.1
244.73575	1.4
245.15373	1.8
259.16928	1.4
263.16287	6.3
265.19638	1.6
269.15417	3.8
286.19260	3.4
287.16470	1.9
325.21545	12.3
343.22699	100.0
344.23029	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	343.2115
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	11.3
55.01862	22.3
55.05512	51.9
56.96556	20.3
57.03421	12.9
58.05037	6.2
61.02924	7.5
65.03941	6.1
67.05179	7.5
67.05505	100.0
68.22483	5.6
69.03415	21.3
69.07076	39.7
69.17311	59.7
69.56554	6.2
71.04985	24.7
73.02885	10.0
79.05492	63.0
81.03429	33.7
81.07053	79.8
83.04969	19.7
83.08617	21.7
85.02914	10.1
85.06553	7.9
87.04443	6.0
91.05481	55.9
93.07050	87.3
95.04959	58.1
95.08605	57.2
97.02872	11.1
97.06554	45.6
97.10162	34.9
99.04416	7.9
99.08112	9.2
105.07032	56.4
107.04939	32.6
107.08589	48.9
109.02875	13.5
109.06518	46.5
109.10155	39.7
111.04430	7.5
111.08105	11.6
113.06020	17.8
115.05410	6.3
116.35530	5.8
117.06989	21.7
119.04967	6.0
119.08595	42.4
121.06512	18.9
121.10128	25.6
123.04402	17.9
123.08054	23.3
123.11609	7.7
123.27393	5.5
125.09618	25.8
127.04027	5.8
129.06972	7.3
131.08566	25.6
133.10115	26.3
135.08044	24.8
135.11702	19.0
137.06013	8.0
137.09604	31.1
138.10359	13.2
143.08556	10.4
145.10133	28.5
147.08051	11.3
147.11690	13.3
149.09605	17.4
149.13187	8.9
151.07521	11.2
153.09058	8.2
155.08557	9.3
155.10657	41.7
157.10149	22.3
159.08018	10.5
159.11674	19.7
161.05974	6.1
161.09581	7.2
163.03860	15.8
163.11136	11.6
165.05379	6.3
165.09103	10.6
171.11696	8.6
175.11198	13.6
177.12820	8.4
185.13277	11.5
187.11139	6.5
191.03447	39.0
193.12440	6.7
195.11679	6.5
195.13850	7.9
201.12746	7.1
221.11711	27.6
221.15233	6.2
229.07420	6.4
239.12756	13.6
239.89445	6.0
255.09056	6.5
256.09824	6.5
267.08939	7.4
273.18402	13.1
289.18024	9.3
291.19495	40.7
343.08319	12.7
343.18820	13.5
343.22797	26.2
344.18655	9.1
352.25714	7.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1751
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	2.3
55.01855	2.0
55.05500	1.2
57.03423	2.6
57.03672	0.6
57.07070	1.2
58.54725	0.6
61.02933	3.9
69.03429	10.8
69.07072	1.2
69.26872	1.8
69.27296	3.8
71.04975	2.8
73.02898	2.0
77.03922	0.9
79.05479	2.8
81.03422	4.3
81.07053	8.5
83.04984	6.7
85.02906	26.7
85.06505	1.3
87.04462	2.1
91.03954	1.8
91.05468	4.4
93.07045	9.1
95.04375	1.0
95.04968	16.5
95.08585	1.4
97.02896	10.1
97.06551	3.1
99.04467	2.2
103.03937	0.8
105.07024	7.0
107.04945	1.4
107.08601	10.4
109.02872	2.3
109.06501	1.2
109.10127	0.9
117.06998	3.8
119.08562	5.1
121.06517	3.3
121.10149	12.0
123.04391	1.0
123.08050	1.2
125.05991	10.9
127.03907	6.1
128.06168	0.7
130.07788	2.4
131.08504	0.8
132.48387	0.8
133.10165	1.0
135.11694	6.9
137.05943	1.3
143.08522	1.6
145.04950	8.0
145.10123	17.9
147.08087	0.8
149.05956	0.8
161.09602	0.9
163.11180	100.0
164.11565	1.7
165.09091	1.2
167.07086	0.7
175.11185	1.6
177.05490	0.7
180.10219	0.7
181.10579	1.4
181.12216	15.1
183.10306	1.5
187.11192	0.9
191.07059	1.6
205.12175	1.8
223.13268	1.6
307.15472	1.1
314.89166	0.6
325.16409	0.8
343.10992	0.9
343.17398	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.0885
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	0.6
56.96557	0.2
57.03434	1.0
58.02916	0.2
61.02906	0.5
64.33762	0.2
67.02995	0.4
68.28571	0.2
69.03423	0.6
69.88252	0.6
69.88662	0.3
70.06599	0.2
70.42139	0.2
73.02903	1.1
74.73329	0.2
84.08118	0.4
85.02908	1.0
86.02424	0.3
89.03896	0.2
97.02892	0.8
98.21429	0.3
103.03956	0.2
110.03512	1.1
113.03487	2.2
115.03928	0.6
117.03343	0.2
120.77287	0.2
121.06497	0.5
122.03539	0.8
124.05051	0.8
128.04553	0.3
133.04976	1.3
135.04436	0.3
136.01414	1.0
136.07574	0.6
138.09190	0.2
145.02769	0.2
145.05008	0.2
150.02916	0.2
153.04071	13.4
154.02487	2.0
163.03925	1.7
164.04216	0.2
165.04076	1.9
166.02440	1.0
168.04051	13.6
182.08110	0.9
183.05125	2.6
183.93152	0.2
186.05090	1.0
193.03609	0.5
194.01979	0.4
211.04623	100.0
212.04895	0.6
253.05675	0.4
277.05832	0.4
301.02264	0.2
343.08670	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.0814
Annotation	Phyllocoumarin
Peak:m/z	Relative Intensity
53.03939	0.6
55.01859	1.3
55.05503	0.6
56.96570	1.5
65.03931	0.6
67.05519	1.5
68.99785	2.0
69.03423	0.8
69.07052	0.8
70.61804	0.3
71.52499	0.6
77.03926	0.6
77.12654	0.3
79.05090	0.3
79.05509	4.1
81.03406	1.1
81.07040	1.3
83.04980	0.7
85.02890	1.1
85.06544	0.4
89.03889	0.8
91.05483	3.6
93.03389	1.0
93.07038	1.4
95.01296	0.5
95.04982	2.2
95.08590	1.0
97.02907	0.7
97.06526	0.3
98.97585	0.8
103.05467	0.5
105.03397	0.8
105.07018	1.2
107.04948	4.7
107.08584	1.0
109.02863	0.4
109.06500	0.5
109.10123	0.6
111.04425	0.6
117.03360	0.5
119.04957	5.2
119.08559	0.8
121.02862	0.7
121.06470	0.7
121.10087	0.4
123.04436	18.9
124.83574	0.4
125.05995	0.5
129.56773	0.3
131.04921	1.0
131.08554	0.3
133.02824	0.4
133.06438	0.3
133.10144	0.5
135.04424	13.2
135.08054	0.5
137.02342	0.7
137.05954	0.9
139.03908	6.1
142.65392	0.3
145.02896	1.7
145.10085	0.5
147.03242	0.6
147.04414	11.4
147.08086	0.6
149.05980	0.9
151.03940	0.5
153.05508	0.6
157.06436	0.4
159.08055	0.7
161.06007	0.7
163.03918	19.5
163.11172	0.4
164.22673	0.3
165.05499	4.0
165.12849	0.4
175.03947	1.3
175.07558	3.2
177.05547	0.4
177.09122	0.7
179.03413	3.3
180.06729	0.3
181.04999	2.7
187.03943	1.9
189.05557	0.4
191.03404	100.0
192.03943	1.2
197.01248	0.3
203.03447	4.2
205.04974	2.9
205.08620	1.5
211.13054	0.3
215.06511	0.5
217.08720	0.6
221.04454	5.1
233.04433	2.8
234.07053	0.4
242.04106	0.3
252.04582	0.3
252.07344	0.3
253.38324	0.4
293.08237	0.6
297.07367	0.4
301.07111	4.4
302.09238	0.8
307.06244	0.5
307.09558	0.4
311.09341	0.5
325.07083	1.0
325.10635	0.7
343.08151	27.1
343.11862	4.9
343.19150	0.8
343.22891	0.7
344.08322	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.0814
Annotation	Phyllocoumarin
Peak:m/z	Relative Intensity
53.03941	1.1
55.01860	2.0
55.05518	2.3
56.05015	0.5
56.96566	0.8
57.03419	1.0
59.04991	0.4
65.03934	0.7
65.13219	0.5
67.05505	3.9
68.99786	1.6
69.03415	2.0
69.07048	2.0
70.02933	0.7
70.06572	1.4
71.04975	1.3
71.52772	1.0
72.04498	1.9
72.08149	0.5
73.02928	0.5
77.03931	0.7
79.05497	4.5
80.05032	0.6
81.03408	1.3
81.07049	3.6
82.02959	1.2
83.04984	1.1
83.08611	1.2
84.04490	1.6
84.08144	0.7
85.02902	0.9
87.05579	1.8
91.05489	4.0
93.03400	0.7
93.07053	2.3
94.06549	0.8
95.04962	3.6
95.08613	2.7
96.04485	1.7
97.02889	1.0
97.06519	2.0
97.10168	2.7
98.06068	0.7
98.97575	1.9
100.03963	1.8
105.07009	2.1
107.04961	5.2
107.08574	2.1
109.06507	2.4
109.10157	1.2
110.06049	0.6
111.04418	0.5
111.08100	0.6
112.07603	1.7
113.06023	0.7
114.05517	1.3
115.05447	0.7
116.98595	0.6
117.03398	0.8
117.07014	0.5
119.04949	5.5
119.08587	1.3
121.02903	0.5
121.06487	1.8
121.10178	1.0
123.04427	17.2
123.08057	0.8
123.11706	0.5
124.03950	0.4
125.09625	1.5
128.03410	0.9
128.06248	0.5
131.04916	1.6
131.08557	1.0
133.06136	0.6
133.10129	0.8
135.04424	12.0
135.11700	0.6
137.02350	1.2
137.05956	1.1
137.09601	1.4
139.03912	5.6
139.07568	0.5
141.06630	0.7
142.05005	1.4
143.08524	0.6
145.02837	1.7
145.10133	0.9
147.03250	0.8
147.04405	12.9
147.08075	0.5
147.11664	0.9
149.05948	0.5
154.05115	0.5
155.08443	0.5
155.10611	0.5
158.99652	0.8
159.04454	0.6
159.07962	1.3
161.06001	0.6
163.03909	15.3
163.11209	1.3
165.05479	4.4
165.12903	0.6
170.04558	0.6
171.07848	0.6
173.09721	0.7
175.03893	1.6
175.07512	2.7
177.00780	0.6
177.05453	0.9
179.03397	3.9
181.04924	2.3
182.04553	0.9
187.03960	1.3
187.07164	1.3
187.11240	0.5
189.09120	0.4
189.11230	1.6
191.03397	100.0
192.04036	1.0
203.03419	3.9
205.04950	2.7
221.04471	5.9
233.04442	2.7
289.17966	1.3
307.19095	1.2
325.07028	1.4
325.14404	0.6
340.04770	0.5
343.08124	27.8
343.11551	1.6
343.19058	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.0814
Annotation	Phyllocoumarin
Peak:m/z	Relative Intensity
51.02374	0.2
51.29640	0.1
53.03930	0.3
53.12506	0.1
55.01875	0.9
55.02102	0.2
55.05499	0.3
56.96545	0.2
57.03423	0.4
58.99578	0.3
65.03940	0.4
67.05504	0.6
68.70457	0.1
68.99799	0.9
69.03412	0.3
70.53337	0.2
70.53699	0.3
77.03928	0.3
79.05492	2.0
80.05006	0.2
81.03412	0.3
81.07055	1.8
84.04498	0.2
85.02871	0.3
86.06053	0.2
86.99036	0.2
88.58968	0.1
89.03916	0.4
91.05485	2.0
93.03389	0.5
93.07036	0.3
95.01300	0.3
95.04979	1.1
95.08603	0.3
96.04497	0.1
97.02883	0.1
97.06525	0.2
99.08083	0.3
100.56425	0.1
105.03365	0.4
105.04507	0.1
105.07034	0.3
107.04959	3.0
107.08602	0.1
109.02903	0.3
109.06541	0.1
110.03667	0.1
114.03771	0.3
115.05331	0.1
116.01688	0.9
117.03367	0.4
119.01279	0.2
119.04943	5.1
121.02831	0.5
121.06500	0.2
123.04430	13.1
129.06935	0.1
130.04988	0.2
131.04881	0.3
131.08609	0.2
133.02795	0.2
135.04411	6.0
135.11699	0.2
137.02339	3.9
137.05977	0.5
139.03889	0.7
142.03238	1.8
143.04985	0.1
144.01167	0.4
145.02835	1.4
147.04411	10.0
149.02306	0.2
149.05878	0.2
153.05429	0.3
159.04442	0.2
161.05916	0.4
162.02200	1.5
163.03909	7.2
163.11168	0.2
164.04660	0.4
165.05487	2.5
165.06885	0.2
170.02664	0.8
175.03860	0.9
175.07533	0.5
177.05386	0.2
179.01830	0.3
179.03397	5.0
180.53105	0.1
181.04938	0.8
187.03946	0.6
189.05504	0.3
191.03392	100.0
192.04118	3.7
193.05003	0.3
196.07970	0.1
203.03404	3.2
205.04959	2.5
205.06737	0.2
215.03416	0.3
219.02875	0.3
221.04453	6.0
231.72690	0.1
233.04407	1.5
237.07718	0.1
239.74669	0.1
240.10210	0.1
241.82365	0.1
245.05914	0.5
246.80565	0.1
254.93138	0.1
260.09393	0.2
279.06613	0.2
297.07452	0.1
307.05920	0.1
325.07022	0.3
325.10599	0.1
343.08121	40.7
344.08386	0.8
369.29858	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	343.0813
Annotation	Phyllocoumarin
Peak:m/z	Relative Intensity
50.97931	0.1
51.02374	0.2
51.76574	0.2
53.03930	0.3
55.01871	1.3
55.05500	0.2
56.96571	0.2
57.07087	0.2
65.03927	0.4
67.05511	1.0
68.99781	1.9
69.03414	0.5
69.07043	0.5
69.15372	1.2
69.15785	0.4
70.06599	0.2
77.03927	0.4
79.05068	0.2
79.05495	3.7
81.03421	0.8
81.07056	0.9
83.04981	0.2
83.08604	0.2
85.02891	0.4
89.03905	0.4
91.05479	2.6
93.03399	0.8
93.07026	0.7
95.01356	0.4
95.04965	1.9
95.08582	0.6
97.02876	0.2
97.06521	0.2
98.09673	0.6
98.21603	0.3
100.11236	0.6
103.05455	0.2
105.03373	0.2
105.04517	0.3
105.07055	0.4
107.04959	5.0
107.08578	0.4
109.02851	0.3
109.06539	0.2
109.10155	0.4
115.05441	0.4
117.03402	0.8
119.04950	6.4
119.08575	0.2
121.02847	0.6
121.10174	0.4
123.04430	19.7
125.06003	0.2
131.04932	1.3
131.08591	0.2
133.02840	0.2
133.06502	0.2
135.04416	10.2
135.11685	0.2
137.02361	1.5
137.05962	0.8
139.03864	0.6
143.04881	0.3
145.02840	1.9
147.04408	15.3
147.11694	0.3
149.05980	0.6
153.05461	0.3
159.04402	0.5
161.05974	0.6
163.03912	13.5
163.11159	0.4
165.05484	4.4
167.08536	0.2
175.03952	1.4
175.07527	0.6
177.05536	0.5
179.01833	0.3
179.03384	4.4
181.04941	0.9
187.03914	1.6
189.05463	0.4
191.03394	100.0
192.04013	1.7
195.08287	0.2
203.03398	5.7
205.04964	3.4
207.06433	0.2
215.03447	0.4
221.04462	7.0
223.07518	0.2
233.04424	3.4
233.06683	0.2
251.07219	0.2
279.06476	0.2
307.06009	0.4
325.07022	1.3
325.18307	0.6
343.08127	33.7
343.30737	0.6
344.08487	0.4
347.26901	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.0815
Annotation	Phyllocoumarin
Peak:m/z	Relative Intensity
55.01868	1.0
55.05510	0.3
56.96560	0.3
57.03425	0.9
58.99580	0.7
59.51214	0.3
65.03948	0.4
67.05511	0.6
68.99784	1.0
69.03415	0.6
69.07061	0.4
69.56809	0.6
69.57220	1.4
77.03937	0.3
79.05499	2.6
80.05004	0.5
81.03397	0.7
81.06648	0.4
81.07060	4.1
84.04507	0.4
84.93670	0.2
85.02905	0.7
86.99064	0.7
87.02662	0.6
88.02203	0.3
89.03915	0.4
91.05486	1.6
93.03383	0.6
93.07045	0.5
94.06556	0.3
95.01323	0.4
95.04980	1.4
95.08620	0.6
96.04482	0.3
97.02897	0.6
97.06516	0.4
98.00681	0.3
98.83929	0.2
98.97575	0.2
99.08104	1.4
100.11266	0.3
103.45676	0.3
105.03401	0.3
105.07032	0.7
107.04966	3.1
107.08566	0.5
109.02885	0.4
109.10136	0.4
114.03780	0.6
116.01688	3.2
117.03394	0.5
119.04947	3.6
119.08549	0.5
121.02879	0.6
121.06469	0.4
121.10159	0.7
123.04431	10.7
123.08083	0.3
125.06030	0.3
130.05045	0.3
131.04927	0.5
135.04422	5.8
137.02347	4.6
137.05980	0.8
139.03928	1.4
142.03226	5.2
144.01167	1.0
145.02850	1.3
145.10118	0.3
147.03244	0.5
147.04407	8.8
149.02307	0.5
151.03835	0.3
153.01869	0.3
159.04388	0.3
161.05998	0.3
162.02220	4.0
163.03912	8.3
163.11238	0.7
165.05486	2.1
170.02719	2.5
175.03903	0.9
175.07547	1.1
179.03400	4.1
181.04991	1.3
187.03838	0.4
189.05479	0.3
191.03394	100.0
192.04100	3.1
203.03355	2.5
203.64307	0.3
205.05016	1.9
216.06998	0.5
221.04456	5.3
227.04886	0.3
233.04442	1.1
245.05927	0.9
251.07039	0.3
260.09491	0.7
284.19250	0.3
325.07065	0.5
325.10675	0.4
343.08096	38.0
344.08429	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.0211
Annotation	Unknow
Peak:m/z	Relative Intensity
56.71622	0.8
59.51183	0.7
69.97483	3.1
85.58385	0.7
86.77882	0.9
88.35938	0.8
96.92702	0.8
98.20845	1.2
98.97592	6.9
106.14979	0.8
108.48900	0.8
115.88457	0.8
116.98627	3.0
119.01892	1.0
157.25783	0.9
158.75179	0.9
158.99907	1.1
177.00986	2.6
198.97893	2.0
201.00999	1.9
216.98935	6.5
218.98616	1.0
219.01961	8.7
220.02290	1.2
222.97931	1.9
234.99992	6.3
236.99554	1.3
240.98911	16.9
241.99098	1.3
258.99985	31.4
260.00079	3.0
261.03082	9.5
262.03406	0.9
264.98813	4.3
273.98761	1.2
275.44461	0.8
276.97867	1.3
277.01035	11.9
278.01157	1.6
282.99988	100.0
284.00159	5.9
291.99774	1.1
300.97937	4.2
301.01047	97.7
302.01245	5.2
318.98624	3.8
319.02191	2.9
319.97672	1.7
324.02594	1.6
325.01004	17.4
326.01248	1.4
343.02139	66.9
344.02213	2.7
360.99487	2.1
361.03317	12.1
366.03622	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	342.2639
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	2.1
55.01859	7.3
55.05513	41.0
56.96566	2.4
57.03422	1.7
59.04981	2.1
66.94524	1.5
67.05507	20.3
69.03417	7.2
69.07072	23.9
69.23479	11.9
69.23888	2.6
79.05495	31.3
81.03420	2.2
81.07064	23.7
83.04978	2.0
83.08150	2.2
83.08620	28.8
85.02886	1.9
85.06547	2.3
91.05486	13.7
93.07048	15.3
95.04975	3.5
95.08613	9.4
97.06520	2.9
97.10169	68.0
98.97552	1.9
105.07024	13.4
107.04900	2.4
107.08596	83.7
109.06491	1.8
109.10155	4.8
111.08064	3.6
117.07011	4.6
119.08582	10.2
121.10166	3.7
124.11209	2.6
125.09635	66.5
126.78101	1.5
131.08554	5.2
133.10139	8.8
135.08047	14.9
135.11670	5.1
135.16203	1.7
138.17430	2.1
138.74995	1.5
141.07060	1.7
145.10110	9.3
147.08093	1.5
147.11662	7.0
149.09595	5.5
153.09114	13.2
157.10112	1.9
157.12215	7.7
159.11707	5.0
171.11609	1.9
173.11777	1.9
173.13161	2.2
178.08614	4.4
181.12242	2.7
185.11778	3.7
187.11188	2.7
203.12779	100.0
204.13246	1.8
213.14859	2.2
239.17891	5.1
255.09552	2.0
257.19067	12.1
275.20062	38.7
289.21603	18.3
307.22610	16.2
333.14758	1.8
342.17398	2.4
343.18561	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	342.264
Annotation	Unknow
Peak:m/z	Relative Intensity
51.30806	4.8
53.03938	8.2
53.11179	5.0
53.71749	4.7
55.01875	5.7
55.05515	38.4
57.03438	31.1
65.03947	5.3
67.05512	94.5
69.03417	8.5
69.07069	47.0
69.76580	21.4
71.04997	14.5
79.05500	67.3
81.03423	7.9
81.07056	100.0
83.04963	25.3
83.08621	18.7
85.06558	9.9
87.82887	6.0
91.05484	53.7
92.28035	4.8
93.07050	81.8
95.04957	16.3
95.08607	60.8
97.06534	19.1
97.10177	16.5
97.23888	4.6
98.21458	4.8
99.80576	5.9
101.05943	5.3
105.07034	42.1
107.08601	64.7
109.06532	8.4
109.09485	5.2
109.10139	27.7
111.08077	10.1
117.07017	21.4
119.08595	37.3
121.06491	6.3
121.10151	33.3
123.08093	9.1
123.11723	8.3
125.09655	16.2
129.06969	8.9
131.08588	30.6
133.10167	35.2
135.08057	11.2
135.11694	36.4
137.09651	6.1
139.11186	10.6
143.08597	8.2
145.10139	22.4
147.11649	23.6
149.09644	11.2
149.13261	21.3
151.11153	5.2
155.21930	5.1
157.10127	11.2
159.11725	26.0
161.09627	5.4
161.13225	10.5
163.11108	10.5
171.11737	7.7
173.11858	6.4
173.13255	11.0
177.12746	4.8
181.12227	24.0
185.13358	9.9
187.14972	5.4
188.91550	5.0
190.18861	5.4
195.01541	5.1
195.13846	17.8
213.14827	11.3
229.48967	5.1
239.18163	5.2
257.19070	9.5
275.20111	47.8
289.21552	9.3
301.20258	6.6
307.22824	8.7
319.21121	55.9
337.22241	25.6
338.22971	5.7
342.21228	5.5
342.37125	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	342.2277
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	5.3
55.01871	13.1
55.05501	18.1
56.96560	6.3
57.03441	7.0
67.05510	62.5
69.03439	7.7
69.07066	29.4
70.06537	3.8
71.04998	10.5
71.52356	5.1
79.05499	32.9
81.03405	10.1
81.07065	59.4
83.04977	13.7
83.08624	6.3
85.02937	4.0
85.06532	10.3
91.05488	52.3
93.07045	35.9
95.04960	11.5
95.08624	11.9
97.02865	5.0
97.06544	100.0
98.97601	7.1
105.07030	45.6
107.04984	6.1
107.08602	56.0
109.06531	15.3
109.10170	82.3
111.08092	15.9
113.05984	6.8
115.07507	5.2
117.07021	5.6
119.08579	10.9
123.11705	8.6
127.07528	5.2
129.07002	5.1
131.08551	7.0
133.10141	99.2
135.11722	6.3
137.09642	5.2
151.11182	66.7
159.11732	5.3
161.09596	3.7
169.12253	11.7
171.11830	6.2
178.08568	5.3
235.13345	7.0
251.30685	4.3
261.18530	8.6
266.60391	4.1
271.17017	6.5
289.18091	22.9
292.12296	4.0
307.18985	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	342.2273
Annotation	Unknow
Peak:m/z	Relative Intensity
51.53154	2.6
55.01867	13.0
55.05510	12.1
56.96568	7.9
57.03442	8.1
65.03973	4.4
67.05508	65.2
69.03432	6.6
69.07064	19.4
71.04990	10.6
79.05491	29.5
81.03413	10.4
81.07063	43.3
83.04971	9.5
83.08614	6.2
85.02911	5.1
85.06532	9.0
91.05480	35.9
93.07056	28.4
95.04962	11.2
95.08602	16.3
97.02931	3.3
97.06532	100.0
99.04476	3.4
105.07031	38.3
107.08598	44.9
109.06512	7.5
109.10162	81.9
111.08087	11.1
113.06013	5.9
113.96381	3.2
117.07054	3.6
119.08604	10.9
121.06529	3.7
121.10130	5.7
123.11703	13.5
127.07586	3.5
129.06935	3.8
131.08586	9.6
133.10141	77.0
135.08060	4.8
135.11673	7.5
137.05986	4.6
145.10143	6.3
146.14362	3.1
147.11687	4.8
151.11179	43.0
157.10133	3.5
161.06070	3.6
169.12230	8.3
173.13214	4.8
177.09129	4.4
179.10645	3.2
185.13329	3.6
193.12216	3.4
237.14908	3.5
261.18616	7.7
267.09140	8.2
271.16940	5.2
285.10156	16.3
289.17975	16.5
307.19043	7.3
342.24518	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	342.2275
Annotation	Unknow
Peak:m/z	Relative Intensity
51.88586	4.5
52.84811	4.9
53.03937	7.8
54.51655	5.2
55.01872	16.7
55.05512	82.1
56.96553	6.7
57.03434	26.0
65.03932	10.8
67.05502	60.1
69.03429	16.3
69.07072	42.9
69.86117	26.8
70.20172	4.7
71.04986	11.0
73.02918	9.1
79.05497	60.4
81.03424	25.0
81.07051	43.1
83.04997	14.0
83.08630	31.0
85.02898	13.5
91.05469	36.2
93.07036	31.0
95.01343	21.0
95.04967	48.6
95.08595	15.7
97.06542	42.9
97.10174	51.1
97.16446	4.6
98.21452	7.3
105.07034	30.9
107.04981	24.2
107.08585	38.7
109.02873	17.9
109.06544	26.9
109.10162	15.5
111.04456	8.2
111.08115	5.2
113.06026	6.0
114.08745	4.6
115.07589	15.1
117.07030	15.1
119.04932	6.1
119.08606	27.9
121.02869	39.6
121.06507	27.5
121.10101	9.1
123.04404	15.1
123.08076	10.1
125.09628	43.0
129.07050	12.6
131.08582	14.7
133.06520	9.9
133.10146	10.0
135.08069	24.1
137.09622	6.7
141.07062	6.1
145.06535	5.8
145.10132	8.2
146.07167	4.5
147.08046	9.0
147.10619	4.2
147.11682	26.4
153.09125	12.3
155.08534	6.3
157.10139	12.2
159.08063	100.0
161.09573	5.9
163.07574	10.1
168.78348	5.7
169.10194	4.9
171.10159	6.8
171.11633	7.1
175.11234	8.6
185.09663	16.7
189.11247	52.7
189.12807	9.0
193.12218	19.4
211.11229	6.4
211.13284	10.5
215.14265	4.7
219.13763	10.9
221.11688	54.2
228.13881	5.7
229.12480	5.5
237.14830	17.0
239.12823	28.8
247.13380	16.8
253.15872	16.0
267.08984	5.9
271.16907	15.2
285.10300	6.9
289.17960	46.2
307.19040	9.0
320.61362	5.1
342.24469	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	342.2275
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	4.3
55.01871	17.8
55.05512	18.2
55.42002	1.6
56.96559	2.5
57.03187	1.5
57.03436	10.2
57.07066	3.8
60.29539	1.5
61.67061	1.5
65.03922	3.0
67.05505	77.9
68.04066	1.7
69.03417	6.0
69.07070	29.4
69.17784	16.6
71.04996	13.9
73.02921	1.6
79.05495	38.0
81.03421	7.8
81.06597	3.4
81.07060	64.6
82.07432	1.8
83.04988	13.5
83.08606	5.9
85.02926	3.0
85.06544	11.8
87.61344	1.6
91.05482	58.6
93.06483	3.0
93.07051	37.8
95.04964	19.6
95.08608	17.2
97.02890	1.9
97.06535	100.0
97.10159	1.8
98.97591	2.5
99.04463	3.7
99.08085	2.6
103.53778	1.8
105.07037	59.3
107.04941	5.9
107.07882	2.3
107.08592	50.2
109.06520	18.9
109.10162	90.5
110.10450	1.5
111.04448	2.9
111.08083	16.7
113.06018	9.5
115.07554	2.9
117.06979	4.9
119.08587	11.7
120.90298	1.8
121.06491	7.1
121.10151	3.6
123.08051	5.5
123.11700	13.4
125.17515	1.4
127.07537	3.9
129.06961	3.1
131.08595	11.7
133.06483	3.5
133.10132	97.1
135.08038	6.7
135.11678	3.2
137.05986	3.7
137.09573	3.4
143.08606	2.6
145.10118	3.2
147.08057	3.1
147.11626	3.3
149.09645	3.6
149.44534	1.5
151.11186	51.1
157.10115	2.4
159.08073	2.4
159.11723	3.2
161.09589	4.4
165.09053	2.5
167.10497	1.7
169.12267	8.2
173.09605	3.9
173.13284	2.6
175.11197	3.8
177.09099	2.3
179.01802	1.4
179.10713	3.9
183.10149	2.5
191.10637	2.6
193.12300	3.7
195.10266	2.3
215.12775	3.4
215.32025	1.6
221.11728	4.5
233.15331	2.1
240.23201	8.7
253.15990	2.8
255.09448	1.9
261.18494	6.3
271.16919	5.6
279.19547	2.2
289.17941	22.1
307.19019	14.2
325.20068	3.7
349.59311	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	342.2126
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.2
55.05515	7.5
56.96564	1.1
57.03430	1.7
57.06834	1.1
57.07081	13.8
59.04974	1.4
60.92518	0.7
61.02913	1.9
67.05499	1.7
69.03445	4.2
69.66247	2.7
69.66654	1.9
70.06602	5.7
72.08140	1.4
73.02908	1.0
79.05496	1.1
81.03407	2.2
81.07050	2.5
83.08602	2.5
85.02448	1.1
85.02911	12.9
86.09719	1.9
89.06039	33.6
91.03957	0.8
91.05499	2.4
93.07045	0.9
97.02887	4.6
101.09667	14.1
105.07008	0.7
107.07076	31.3
107.08583	1.3
109.02850	0.7
111.08052	1.5
123.02563	0.8
123.04440	4.1
123.11675	0.9
127.03904	2.6
130.08646	1.5
131.04895	1.1
133.10120	1.0
137.05959	1.0
145.04932	2.6
163.03943	1.2
163.13307	100.0
191.03427	2.6
215.07085	0.9
291.95898	0.8
310.20123	1.8
324.21674	2.5
342.10321	1.3
342.17139	1.7
343.07980	1.0
343.17123	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.0869
Annotation	AESCULIN
Peak:m/z	Relative Intensity
53.03936	0.3
57.03439	0.3
59.30482	0.2
61.02919	0.5
67.05528	0.2
69.03432	1.2
70.06591	0.5
71.51540	0.3
81.03417	0.6
83.04971	0.2
84.08152	0.5
85.02916	2.4
86.09690	0.8
89.03899	0.5
89.06056	0.3
91.03944	0.2
95.04967	0.3
97.02898	0.5
105.03380	0.5
105.07091	0.2
107.04932	0.2
109.02871	0.5
117.03416	0.3
123.04433	8.8
124.09172	0.2
126.83418	0.2
127.03876	0.4
128.59952	0.2
129.10252	0.3
131.04926	0.2
133.02866	7.4
133.96376	0.3
135.04414	1.7
137.05972	0.5
145.04993	0.3
147.04387	0.5
149.09621	0.3
151.03902	3.0
163.03877	0.7
179.03400	100.0
180.03717	0.7
202.60565	0.2
209.15439	0.2
219.18735	0.2
261.10941	0.2
276.07928	0.2
341.08777	1.6
341.12341	0.3
341.17447	0.2
341.24664	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	340.2848
Annotation	N-oleoyl glycine
Peak:m/z	Relative Intensity
55.05273	0.9
55.05513	11.1
57.07071	4.8
60.04529	22.6
67.05506	7.1
69.07070	16.6
70.91335	1.7
71.04979	0.8
71.08618	1.0
76.80113	0.7
77.84005	0.8
79.05492	2.2
81.07061	10.7
83.04990	0.8
83.08614	12.1
90.83426	0.6
91.05472	3.4
92.34113	0.6
93.07025	3.9
95.08607	10.4
97.06535	0.9
97.10172	7.3
105.07028	3.2
107.08565	3.7
109.10171	5.8
111.08080	1.2
111.11708	1.9
119.08567	2.9
121.10143	2.6
123.08057	1.3
123.11687	2.3
125.09698	0.8
133.10101	3.0
135.11684	1.4
135.95663	0.7
137.09608	2.1
137.13278	0.8
142.15916	9.8
147.11671	3.5
149.13240	0.7
154.12257	4.8
161.13217	1.3
163.14905	1.4
165.12772	0.9
168.13789	0.7
171.36768	0.7
172.13336	3.3
175.14955	0.8
182.19005	0.8
184.17009	0.8
238.63876	0.8
245.22623	2.5
259.19577	0.7
263.23743	4.2
280.26352	9.7
298.27438	10.9
305.90430	0.8
310.37021	0.7
322.27380	2.3
339.77661	0.9
340.28485	100.0
341.26459	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	340.2484
Annotation	Unknow
Peak:m/z	Relative Intensity
53.74281	2.7
55.01870	5.3
55.05509	6.4
56.96560	6.4
57.07068	5.4
63.99691	3.3
67.05524	6.9
69.03419	4.1
69.07077	5.7
71.04983	5.0
71.08653	3.5
71.28342	3.2
79.05489	6.8
80.67549	2.7
81.03436	6.0
81.07053	10.5
83.04998	3.8
83.08598	4.1
85.02910	4.6
91.05527	7.0
93.07053	6.2
95.04967	5.0
95.08599	6.9
96.08910	3.1
97.06535	4.6
98.97619	4.3
105.07031	8.1
107.04957	3.8
107.08613	6.7
109.06554	4.2
109.10162	5.8
115.75273	3.9
117.06985	5.4
119.08576	8.7
121.06506	7.2
125.09679	3.1
127.03938	3.3
131.08571	5.8
133.10143	4.1
135.08084	6.1
137.05949	5.5
143.08562	3.5
145.10066	5.7
147.08037	3.4
149.02333	8.9
151.11224	3.6
161.09584	5.4
175.11220	4.6
193.04988	14.5
193.12244	4.0
194.05397	4.9
213.07886	3.1
225.15907	4.7
259.20575	3.7
267.08969	5.3
269.10623	5.8
273.18710	7.1
290.18372	5.2
300.59302	3.2
305.17783	6.6
305.21127	100.0
317.19388	3.1
323.22134	15.8
339.77872	28.4
340.28061	15.3
350.50070	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	339.2167
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02396	4.1
53.03937	10.9
55.01877	30.7
55.05510	33.0
57.03441	30.2
57.07074	10.8
58.34261	2.5
65.03929	6.2
66.28160	2.6
67.05506	75.1
69.03423	5.2
69.07070	30.5
70.06590	2.8
70.12672	11.7
71.01344	2.9
71.04979	6.2
71.08632	4.9
73.59689	2.4
74.78085	2.5
79.05075	3.8
79.05502	63.2
79.05960	3.3
81.03413	12.7
81.07059	80.6
82.04218	4.3
83.04986	36.3
83.08620	10.7
85.06549	8.4
85.27736	3.1
88.07658	4.7
91.05485	80.4
91.07923	2.4
93.07044	51.9
94.04206	4.4
95.04970	70.2
95.08607	43.5
97.02892	9.9
97.06532	9.9
97.10161	7.9
98.07287	5.2
98.97587	8.3
99.21875	3.1
103.05463	4.6
105.07030	57.2
107.04959	100.0
107.08599	28.7
108.05750	9.0
109.05805	3.7
109.06523	49.2
109.10158	19.2
110.07275	3.9
110.55605	2.7
111.04446	7.7
111.08087	7.6
112.05215	16.1
113.06039	13.4
115.05500	5.3
116.98618	2.9
117.07023	31.4
119.04948	3.6
119.08588	29.6
120.05723	5.9
121.06527	24.3
121.10139	16.3
122.07301	26.9
123.04446	11.4
123.08076	11.3
123.11700	2.7
125.06004	4.9
128.06197	4.3
129.06992	16.4
131.04955	3.2
131.08577	41.6
133.06497	22.1
133.10127	20.3
135.08049	26.4
135.11732	13.4
137.06049	2.9
137.09601	6.0
141.06998	4.7
141.23637	2.7
143.08594	15.2
145.06519	15.8
145.10129	27.0
147.08073	34.8
147.11711	9.1
148.61212	2.8
149.02330	7.2
149.09631	11.2
151.07562	5.3
151.11235	3.8
155.08542	6.3
157.10141	7.3
159.08073	6.7
159.11700	14.1
161.09674	21.1
161.13318	6.6
162.10439	4.9
163.11174	16.4
165.07278	2.7
165.09113	9.4
169.10130	6.0
170.58357	2.9
171.11719	14.4
173.13274	10.2
175.11205	7.4
177.12759	6.3
178.17137	2.7
185.13364	3.9
187.11227	6.7
187.14786	13.1
189.12717	5.5
193.04951	16.1
197.13222	8.0
203.14386	5.0
205.15912	14.0
215.14337	19.0
224.65721	5.1
233.15378	92.3
239.33594	3.0
250.15640	4.1
256.26315	3.8
265.17999	55.8
273.18503	18.2
274.97516	4.6
290.18814	13.1
304.20352	6.8
305.18256	2.6
305.21039	15.7
339.27634	39.6
339.77887	7.7
340.15823	2.8
341.45001	2.7
351.00040	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.1549
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	1.3
56.96544	0.7
65.03937	1.5
67.05486	1.5
69.03423	0.8
70.06583	1.4
71.03197	1.3
71.04998	1.7
72.08151	0.6
79.05486	3.2
81.07055	4.4
82.06554	1.0
83.04966	1.0
84.04510	0.7
84.08157	1.5
85.02906	2.5
89.03924	1.4
91.05486	9.5
93.05765	1.0
93.07024	1.7
94.06567	2.5
95.04959	0.8
95.08572	0.6
96.08139	1.3
97.06564	0.6
106.06554	0.9
106.41852	0.6
108.08118	2.4
109.06533	0.9
110.06041	5.8
112.07606	0.8
113.31797	0.6
116.07075	1.2
117.03363	2.1
119.04945	21.1
121.02828	0.7
122.06025	16.1
123.04449	0.8
123.06809	2.2
123.11741	0.8
124.07598	13.1
130.04961	1.0
134.06017	10.5
135.04413	2.5
136.07576	59.6
137.05974	1.2
138.05560	1.3
140.07074	3.8
145.02849	3.6
147.04410	100.0
149.05968	0.7
150.05521	6.3
152.07066	65.4
154.08615	0.8
158.08136	1.5
163.03903	10.7
164.07065	70.1
165.04347	0.7
166.08650	0.7
166.12285	1.3
168.06537	2.7
170.08133	9.8
177.05461	2.9
179.05902	0.9
182.08133	20.7
200.10617	0.7
218.11005	0.7
229.00198	0.8
242.11813	1.0
243.11279	0.8
260.12894	4.0
263.04095	1.0
285.12338	2.0
303.13376	35.2
311.05530	1.1
321.14447	12.6
321.18240	0.9
323.09799	0.7
339.05020	3.8
339.09280	1.7
339.15430	4.0
339.18973	2.7
357.80447	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.1076
Annotation	Unknow
Peak:m/z	Relative Intensity
50.64701	0.4
53.03920	0.5
55.05490	0.4
56.96559	1.6
65.03926	0.9
67.05509	1.3
69.03434	0.5
70.06605	0.7
70.97756	0.9
71.04983	1.7
72.78229	0.4
74.95166	0.4
75.63870	0.4
79.05497	2.0
81.07042	2.4
83.04981	1.0
84.08105	0.9
85.02908	3.2
89.03905	1.5
91.05483	10.6
93.05758	0.5
93.07033	0.8
94.06558	1.1
95.04955	1.0
96.08099	0.9
98.20782	0.5
98.88265	0.4
98.97575	0.7
105.07020	0.5
107.04908	0.6
108.08121	1.1
109.06529	0.8
110.06044	3.6
110.97566	0.5
111.04432	0.7
117.03381	1.3
119.04941	21.2
121.06529	0.6
122.06034	6.5
123.04446	0.6
123.06800	0.9
124.07613	4.6
126.09173	0.7
129.05504	0.6
130.05032	0.9
131.05005	0.4
134.06001	4.0
135.04427	1.6
136.07578	23.3
138.05466	0.6
140.07076	1.9
141.09114	0.7
145.02814	2.1
146.03154	0.5
147.04411	100.0
148.04800	0.5
150.05504	3.5
152.07066	28.9
153.01894	0.7
154.08603	0.6
155.35617	0.4
163.03902	9.0
164.04204	1.3
164.07068	30.4
166.08640	0.5
166.12300	1.2
168.06575	1.5
170.08121	6.0
172.09709	0.8
172.11130	0.6
177.05495	1.7
180.06635	0.4
181.04993	0.4
182.08125	9.4
186.12944	0.5
200.10716	0.6
214.12279	0.6
221.02911	0.5
229.00258	1.0
229.97778	0.3
235.11507	0.4
242.63065	0.4
247.53925	0.5
260.12817	1.4
283.06281	0.5
285.12314	0.9
303.13388	13.7
311.05603	0.6
321.10916	0.8
321.14413	6.3
321.17807	0.7
323.09729	1.1
339.04898	2.9
339.08569	0.7
339.11752	0.5
339.15518	2.0
339.19000	1.4
357.08798	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.1077
Annotation	alpha-Hydrojuglone-4-glucoside
Peak:m/z	Relative Intensity
55.97935	0.6
56.99016	0.5
65.03932	1.5
69.03431	0.7
69.30933	2.0
69.31354	2.7
69.43101	0.6
81.03430	1.2
84.04472	3.1
89.03906	0.5
91.05485	14.0
117.03395	0.8
119.04948	27.2
119.08641	0.8
124.07611	3.4
130.04138	0.6
130.04990	3.2
145.02835	4.9
146.91386	0.5
147.04411	100.0
149.06024	0.8
177.05467	7.9
198.04034	1.7
218.18880	0.6
282.99982	0.6
321.09891	1.0
339.04987	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.1075
Annotation	4-p-Coumaroylquinic acid
Peak:m/z	Relative Intensity
53.87801	0.3
56.54646	0.3
65.03937	0.9
71.16449	0.5
83.04969	0.7
85.02917	0.5
87.93053	0.4
91.05486	8.8
92.99781	0.4
95.04931	0.3
105.01853	0.4
111.04484	0.4
113.03659	0.3
119.04948	24.3
119.08564	0.3
121.02857	0.8
127.03905	0.3
140.43863	0.3
147.04416	100.0
148.04756	0.4
153.01810	2.5
165.05582	0.6
169.02829	0.8
177.05455	0.4
183.02254	0.3
207.02718	0.3
209.05931	0.8
237.05484	1.5
240.77530	0.3
245.00880	0.5
253.60510	0.3
263.01865	1.1
265.05005	0.9
273.04147	0.3
276.73230	0.3
283.05978	0.9
285.04037	0.6
293.04559	0.5
310.04742	0.9
311.05508	2.6
321.03998	0.8
339.05023	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	339.1076
Annotation	alpha-Hydrojuglone-4-glucoside
Peak:m/z	Relative Intensity
50.22744	0.5
52.16333	0.5
53.16511	0.4
57.03423	0.6
58.78660	0.5
64.79096	0.4
65.03936	0.9
67.05479	0.7
69.03437	0.7
70.06591	0.5
71.16782	1.1
81.03423	0.6
83.04982	0.6
84.04501	2.8
85.02895	1.1
91.04917	0.8
91.05487	15.9
95.04999	0.9
97.02891	2.5
98.97598	0.7
105.03401	0.6
105.07025	0.6
109.10143	0.6
115.58443	0.4
117.03403	1.1
119.04946	26.7
123.04494	0.7
123.08069	0.5
124.07567	2.5
130.05016	2.1
133.22653	0.5
135.07993	0.5
138.05560	0.9
145.02829	3.0
147.04417	100.0
149.05946	0.8
163.03915	1.2
175.03934	0.9
177.05489	6.2
185.20042	0.5
185.39532	0.5
191.03450	0.9
198.03979	1.2
207.06517	1.8
219.03049	1.0
311.05542	0.7
321.10007	0.9
321.14102	0.6
339.05057	2.0
339.08447	0.6
339.12137	0.7
339.18857	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	338.1235
Annotation	4-O-(Indole-3-acetyl)-D-glucopyranose
Peak:m/z	Relative Intensity
53.03935	0.3
54.55290	0.2
58.96926	0.3
59.65183	0.3
67.94813	0.3
70.06596	8.5
70.06931	1.0
79.05487	1.0
86.09727	0.3
88.47984	0.3
91.05465	0.8
95.04955	0.5
103.05487	2.3
105.03369	0.5
105.07018	2.1
114.05517	0.9
116.07096	8.3
117.03366	1.0
117.07011	0.9
118.04214	0.3
119.04965	1.6
120.05702	1.1
122.03728	0.4
127.86813	0.3
131.04944	2.4
132.05704	2.5
133.02846	1.3
133.06476	1.1
135.04427	0.8
136.04776	0.5
137.05983	6.5
138.09160	0.6
142.96417	0.3
145.02843	0.7
145.06441	0.4
146.03168	0.7
147.04424	1.0
148.05202	7.7
160.05197	2.0
161.05997	0.5
163.03914	4.0
163.07550	21.2
164.04227	4.2
176.04703	2.0
177.05388	0.7
177.09062	0.4
184.09665	1.5
185.76457	0.3
191.07031	100.0
192.07352	1.0
201.21893	0.3
205.08565	0.4
320.14938	3.4
338.09537	3.4
338.15900	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	337.2737
Annotation	Subamolide C
Peak:m/z	Relative Intensity
53.03941	1.3
53.55275	0.6
55.01858	1.5
55.05514	24.6
57.03440	16.9
57.07082	5.6
63.79288	0.5
65.03931	1.6
66.73269	0.5
67.05508	54.8
69.03413	1.5
69.07072	30.8
71.04980	1.8
71.08615	1.9
73.02892	1.0
73.06548	1.1
79.05495	16.3
81.07059	56.0
83.04970	2.1
83.08620	16.4
85.02892	0.6
85.06545	3.2
85.10190	1.1
87.08057	0.5
87.73616	0.4
91.04900	0.8
91.05479	10.6
93.07049	15.6
95.04948	1.5
95.08610	45.1
96.08955	0.5
97.06532	4.2
97.10166	8.5
98.21518	1.6
99.04446	0.8
99.08085	2.2
103.03956	0.7
104.06225	0.5
105.07040	6.6
107.08591	9.2
109.06541	2.5
109.10159	17.8
109.50106	0.6
111.04462	0.6
111.08087	5.4
111.11710	2.4
115.03906	0.6
115.07574	0.6
119.08587	5.3
121.10135	7.8
123.08028	0.9
123.11713	8.9
125.09626	1.4
126.04456	0.5
127.07546	0.9
129.05521	0.7
133.10146	7.4
135.11670	3.2
137.09621	1.4
137.13261	2.9
139.11194	0.9
147.11700	3.7
149.09641	7.6
149.13261	3.1
151.11201	0.7
151.14769	1.3
153.09085	2.0
161.13254	3.7
163.14853	2.3
165.16362	0.7
171.10152	2.2
175.14813	1.5
177.16440	0.8
178.05626	0.5
189.16336	1.5
202.40703	0.5
245.22681	4.0
263.23752	5.7
270.13101	0.6
337.27383	100.0
338.27728	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.2374
Annotation	11-deoxy-PGE2
Peak:m/z	Relative Intensity
53.03942	2.0
55.05511	6.2
56.96556	5.3
57.03428	3.1
57.07059	4.6
59.04991	2.5
61.02917	3.7
67.05505	26.6
69.03445	5.4
69.07072	10.6
71.04990	3.3
71.52350	1.5
73.02898	1.6
79.05068	1.3
79.05502	13.6
81.03403	3.1
81.07059	75.5
83.04964	2.3
83.08602	5.1
85.02899	3.1
85.06534	3.3
91.03948	2.3
91.05478	9.9
93.06505	1.1
93.07050	16.4
95.04966	4.6
95.08613	27.7
97.02897	8.2
97.06514	5.5
97.10179	1.5
98.97580	5.2
99.04428	1.4
103.05453	1.5
105.07026	14.3
107.08598	19.2
108.87775	1.2
109.02912	1.7
109.06525	11.4
109.10169	30.0
111.04462	1.5
111.08089	5.8
114.05519	1.1
115.07523	2.0
115.20100	1.2
116.98620	1.7
117.07010	1.6
119.08578	18.9
121.06520	7.9
121.10149	12.9
123.08073	4.4
123.11710	100.0
125.09635	3.5
127.03909	2.4
129.07019	1.9
131.04941	3.2
131.08572	5.3
133.06487	2.3
133.10143	14.4
135.04385	2.2
135.08067	12.4
135.11719	5.5
136.04727	1.3
137.09615	2.4
137.13258	3.3
142.07799	2.1
143.08553	2.6
145.10129	6.0
147.08049	4.0
147.11700	8.4
149.09610	7.7
149.13272	2.9
151.11154	2.0
156.09312	1.2
157.10121	2.9
159.11745	6.2
161.09596	6.1
161.13211	4.9
163.03931	7.3
163.11162	2.1
163.14755	1.3
164.04231	1.5
165.12762	1.8
167.10643	2.0
171.11650	3.6
173.09537	1.7
173.11801	2.6
173.13263	3.8
175.11214	4.9
175.14815	4.9
177.12793	2.5
185.13277	2.8
187.14789	3.6
189.12714	2.1
189.16344	6.3
193.12276	2.1
197.13257	1.2
199.03923	2.1
199.06340	1.6
199.14847	4.3
203.14320	2.7
209.15414	1.3
213.16405	1.7
215.14362	1.4
217.07433	1.9
217.15881	71.3
225.16359	1.1
229.07484	10.4
229.14330	2.9
235.16939	21.9
241.08609	1.3
243.08961	1.9
247.08536	5.3
251.08672	2.5
257.07013	1.8
259.20422	1.3
277.08499	1.4
283.20462	1.8
289.21655	1.5
291.10931	1.4
301.09637	1.6
301.21573	2.9
305.08060	1.7
319.22659	16.7
319.26346	5.4
337.10535	3.0
337.14398	10.2
337.20380	2.8
337.23727	74.9
337.27029	2.7
342.63437	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.2009
Annotation	Dihydrorubrosterone
Peak:m/z	Relative Intensity
50.86669	1.3
53.03942	1.5
55.01871	2.6
55.05505	2.3
57.03434	1.7
67.05508	6.4
69.03423	2.6
69.07071	2.2
70.06586	2.2
71.04964	1.6
71.52592	2.3
72.08153	1.6
79.05493	7.1
81.07059	8.5
83.05000	1.8
84.08118	1.5
85.02931	1.5
87.57848	1.3
91.05478	12.7
93.07059	8.9
95.04943	2.4
95.08608	6.7
97.02894	1.6
97.06521	4.8
105.07033	11.0
107.04939	4.7
107.08596	6.7
109.06525	5.3
111.08073	3.2
117.03361	4.2
117.07028	4.9
119.04948	2.7
119.08601	7.5
120.08113	1.5
121.02874	7.5
121.06487	6.5
121.10135	2.7
122.06078	1.7
123.08047	6.7
126.09158	3.7
128.06189	2.0
129.06996	5.2
131.08601	6.2
133.06471	3.2
133.10123	7.0
134.10269	1.1
135.04391	5.0
135.08044	8.3
136.07494	1.7
137.06006	2.0
138.05510	2.2
139.03908	2.6
141.06992	3.9
143.08575	9.1
143.11784	2.0
145.02843	15.7
145.06502	5.0
145.10150	9.0
147.08055	10.4
147.11739	2.5
148.05151	1.2
149.06001	2.6
149.09634	3.5
152.07033	7.2
153.06956	2.3
155.08542	4.1
157.10141	8.0
159.08105	7.1
159.11674	8.7
161.09625	7.9
163.03940	11.8
163.07475	1.6
164.07164	2.6
167.08575	3.7
169.10095	6.3
171.08081	2.9
171.11676	5.1
173.02394	1.4
173.09616	5.4
175.11201	3.6
177.05482	23.0
179.08586	1.5
179.10692	1.8
180.06601	1.5
180.09460	2.1
181.10117	5.9
183.11720	3.2
185.09674	5.3
185.13272	3.7
187.11183	4.8
191.03363	2.6
191.07031	12.8
193.10161	1.6
195.11710	6.5
197.13338	2.6
199.11224	4.9
199.14774	3.2
201.12682	2.0
205.12218	12.9
207.03050	1.3
209.13322	3.0
211.11145	1.8
211.14871	2.1
213.12802	2.7
213.16333	3.0
214.08522	2.2
223.11185	1.4
223.14864	4.6
225.12778	3.9
227.14352	6.2
227.17842	1.7
234.11229	8.9
237.16447	6.3
239.14340	2.3
241.15891	8.7
247.14763	2.1
253.15720	2.2
255.13698	6.7
255.17461	11.2
265.15845	10.0
266.04236	1.7
271.16885	1.4
272.56363	1.4
273.12280	2.6
273.15012	3.1
273.18527	6.1
283.10748	2.0
283.16943	20.4
294.05130	6.0
301.12054	5.6
301.17978	100.0
306.24478	1.4
308.06757	2.9
309.07510	3.1
319.13000	6.9
319.18884	3.2
320.11115	1.3
337.06989	31.8
337.13785	4.2
337.17218	7.3
337.20184	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	337.1758
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06599	0.6
60.97309	0.3
63.02369	0.4
67.52695	0.3
69.80360	0.9
69.80796	0.7
70.06590	0.5
71.76383	0.3
87.04463	0.9
89.03924	3.2
91.05506	0.4
92.20189	0.4
98.06049	2.1
101.00857	0.5
101.95019	1.1
117.03387	17.0
118.03705	0.3
119.01877	0.4
122.06091	0.5
125.10754	1.7
126.09157	14.9
134.03604	0.6
135.04387	0.8
143.11800	11.2
144.10191	2.2
145.02849	61.9
149.05989	6.0
161.12856	3.8
162.03255	0.5
162.05527	0.9
163.03845	0.8
169.09735	2.4
171.25101	0.3
176.07059	0.4
177.05473	100.0
178.05867	0.6
186.05589	0.5
187.10753	0.7
195.08812	0.7
205.04919	1.6
218.08176	0.4
231.06569	0.6
234.11255	47.4
253.07808	1.8
259.06012	0.5
268.06497	0.9
271.08875	1.3
286.46768	0.5
295.08893	5.4
301.07050	0.5
313.09933	1.2
319.08310	0.4
319.16461	4.5
320.14908	2.0
332.05042	0.5
337.09048	1.1
337.17578	48.4
338.17929	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.1758
Annotation	Unknow
Peak:m/z	Relative Intensity
50.18188	0.4
58.06590	1.9
63.02381	0.5
85.89931	0.4
87.04455	1.3
89.03917	5.9
89.42295	0.4
91.72253	0.4
95.04971	2.2
98.06053	4.5
107.04951	0.7
117.03385	24.2
121.02868	1.9
122.06052	0.5
125.10748	1.0
126.09164	26.5
134.03641	1.4
134.63885	0.4
135.04419	4.0
139.03867	0.5
143.11798	14.5
144.08145	0.5
144.10205	3.3
145.02849	72.7
149.05975	7.0
156.08037	0.6
161.12869	9.3
163.03915	17.0
169.09755	1.2
176.07074	0.6
177.05475	100.0
178.05940	0.5
187.10826	1.3
219.08835	0.9
234.11259	34.5
319.16464	2.0
320.14926	1.8
337.09177	8.0
337.17572	55.7
338.17935	0.5
350.86676	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.0897
Annotation	Unknow
Peak:m/z	Relative Intensity
52.27723	2.3
56.96553	10.3
70.06574	3.3
70.98112	11.7
71.37674	3.9
88.99186	2.6
91.60510	2.5
97.42662	2.3
98.97589	24.2
110.97561	4.9
112.99123	3.9
116.98608	7.5
128.98615	10.8
131.00180	3.3
146.99640	9.3
149.71109	2.6
152.94957	3.4
163.03929	4.5
170.52425	2.3
170.95996	7.3
175.11607	4.1
177.00797	4.2
188.97037	5.9
189.00742	5.5
202.98615	4.6
207.01793	4.9
212.97142	3.1
219.01797	4.2
230.98114	8.8
244.99731	9.7
263.00848	16.2
273.29044	2.4
277.02347	6.7
286.87534	2.7
295.08804	7.5
337.08902	100.0
337.17120	5.1
344.77365	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	337.0895
Annotation	Flustraminol A
Peak:m/z	Relative Intensity
70.20205	7.0
98.21468	2.0
112.89616	1.6
117.03435	1.9
117.80656	1.8
129.27861	1.7
154.73358	2.1
166.96532	2.1
174.00032	1.9
185.09891	1.7
198.55911	2.2
226.97897	2.0
262.91263	4.6
277.07736	2.0
337.08896	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.0898
Annotation	Flustraminol A
Peak:m/z	Relative Intensity
53.97291	0.4
57.03419	0.9
60.04534	2.2
61.02921	0.6
63.96801	0.4
69.03432	2.3
69.67534	0.4
70.03760	0.5
70.06590	1.5
71.04974	0.7
71.52547	0.7
73.02927	0.7
74.72827	0.4
79.05503	0.6
81.03432	0.6
81.51756	0.4
84.04493	0.4
84.08160	1.1
85.02913	2.6
85.04889	0.4
86.03242	0.9
86.09727	0.9
87.04485	0.6
91.05502	0.5
93.07088	0.5
95.04949	0.5
97.02903	3.4
98.03252	1.4
102.05503	0.6
103.68024	0.5
109.02894	0.8
114.05563	0.9
115.03987	0.4
115.05872	0.7
116.04271	0.5
119.08607	0.6
121.02978	0.4
121.10181	0.4
123.04414	0.5
127.03922	0.5
128.04410	0.4
131.05034	0.4
131.96722	0.7
137.05817	0.5
138.05568	0.7
139.05853	0.5
145.02834	0.9
145.18497	0.4
147.11705	0.5
157.06908	0.7
163.03969	1.3
169.64091	0.4
173.09784	0.4
174.07675	1.3
175.03673	6.4
175.07953	1.5
177.05559	0.7
181.03520	1.4
181.05385	0.5
185.04224	8.8
191.07037	1.0
193.05075	0.7
197.03070	0.6
211.04613	1.2
211.06641	1.2
215.14220	0.6
221.02936	1.2
233.03004	1.0
233.15408	0.8
235.04634	0.5
237.69061	0.5
239.04060	1.3
242.58449	0.5
247.04617	0.5
253.05679	0.5
277.05679	1.0
301.07385	0.5
319.12704	1.1
320.36276	0.6
323.06058	2.2
337.09027	100.0
337.13309	12.9
338.09525	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	336.2168
Annotation	Ankorine
Peak:m/z	Relative Intensity
53.03939	2.3
55.01868	3.3
55.05505	2.9
56.96564	2.3
57.03424	1.0
61.02886	1.2
67.05508	10.0
69.03427	1.2
69.07077	2.5
69.78461	1.7
69.78877	4.4
70.06579	1.8
79.05500	13.1
80.05025	1.2
81.03405	1.6
81.07057	8.2
83.05006	1.7
83.08542	1.1
85.02911	1.4
91.05474	6.9
93.07044	9.4
94.06554	8.0
95.04962	2.4
95.08593	4.6
96.08134	7.7
97.02927	1.2
97.06506	2.2
98.97581	1.6
105.07026	4.8
106.06553	1.5
107.04943	5.8
107.08580	4.4
108.08120	1.7
109.05267	1.8
109.06520	1.9
109.10159	2.3
110.06050	1.5
112.07619	3.2
117.07012	1.9
118.06520	1.1
119.08579	3.5
120.08106	6.5
121.06472	1.8
121.10146	2.5
122.06017	4.7
122.09717	1.1
123.04434	1.1
128.71306	1.1
131.08521	1.8
132.08055	1.6
133.08868	2.0
133.10182	1.5
133.59474	1.0
135.08090	1.1
135.11659	2.3
136.07574	22.5
143.08562	2.4
146.09637	2.0
147.11668	1.6
148.07587	9.6
149.08322	3.2
150.09152	2.5
161.13239	1.5
162.09201	1.7
163.11174	4.2
174.09142	1.7
191.03419	1.2
192.03807	1.2
198.99229	1.6
229.07462	1.7
239.72194	1.0
272.20166	1.9
282.18570	2.1
285.09946	1.3
290.21164	3.3
300.19586	29.5
318.20645	100.0
319.20749	1.1
341.36737	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.2216
Annotation	6beta,7beta-Dihydroxykaurenoic acid
Peak:m/z	Relative Intensity
51.40717	1.0
53.03930	1.4
55.01874	1.7
55.05506	8.1
56.66235	1.0
56.96562	2.2
57.03460	1.5
59.04987	1.4
61.02908	0.9
65.03935	4.0
67.05504	11.0
69.03417	3.3
69.07054	5.7
71.05009	1.7
78.10484	1.2
79.05492	10.2
80.92892	1.0
81.03410	1.5
81.07062	18.0
82.06577	1.1
83.04977	2.5
83.08608	1.7
83.84840	1.1
86.77017	0.9
91.05484	12.1
92.90304	0.9
93.03387	3.1
93.06493	2.2
93.07044	33.7
95.04971	7.6
95.08608	15.0
97.02897	12.5
97.06525	1.8
97.10163	11.0
98.97574	1.1
100.11234	3.1
105.07034	14.1
107.04946	1.3
107.08596	20.2
109.06502	3.9
109.09470	1.6
109.10156	20.6
111.04411	2.0
111.08046	1.9
117.06999	3.1
119.08584	14.9
121.02827	1.8
121.06500	3.0
121.10152	33.0
123.04408	1.8
123.08051	1.6
123.11714	6.1
128.06175	1.1
128.07100	1.3
129.06999	3.2
131.08591	7.2
133.06485	1.2
133.10158	10.4
135.08072	2.2
135.11690	16.4
137.09593	4.0
137.13249	1.9
139.03920	1.4
142.29097	0.9
143.08641	5.0
145.10139	7.0
145.56873	1.0
147.08041	2.6
147.11703	17.6
149.02318	4.1
149.09618	6.3
149.13182	2.7
151.07487	1.7
151.11217	5.1
153.05431	2.8
153.09056	1.7
154.06284	2.3
155.08513	2.0
157.10100	4.1
159.08049	1.5
159.11697	5.3
161.09567	3.9
161.13278	6.1
163.03862	2.9
163.11139	2.9
165.09090	3.4
165.12721	3.0
167.03426	8.0
168.07780	4.9
169.08722	1.1
169.10118	4.1
171.11670	4.7
173.09517	1.6
173.13263	3.6
175.11143	8.8
177.12741	2.9
179.10686	8.1
183.11647	2.9
185.13289	2.3
187.07565	1.6
187.11218	1.8
187.14771	2.4
189.12775	9.0
191.03412	1.8
193.12189	4.1
195.06691	2.2
197.13290	5.8
199.07480	1.5
199.14922	1.4
201.09128	1.2
201.12744	2.1
201.16460	1.6
202.09917	6.9
203.14287	1.1
207.13811	1.7
211.14902	3.1
212.08281	2.8
213.16399	3.3
215.14394	1.4
221.07922	1.4
229.08414	1.3
229.15929	1.5
229.19508	2.3
233.08051	1.9
233.11694	4.6
243.10132	5.4
243.17357	2.9
243.21051	3.9
248.05147	1.5
253.19524	20.5
256.07153	1.5
258.08850	2.0
261.11179	3.1
262.71561	1.7
271.09576	4.2
271.20569	50.6
289.10757	14.0
289.21625	100.0
290.21936	1.1
294.06720	1.3
299.20148	8.5
317.10202	3.6
317.21231	7.0
317.24463	1.5
335.09341	6.0
335.18359	4.1
335.22101	59.0
335.25504	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	335.2218
Annotation	(-)-Leucothol C
Peak:m/z	Relative Intensity
53.03936	0.7
55.01880	0.6
55.05508	1.3
56.82363	0.5
57.03441	1.1
67.05509	4.8
69.03426	1.2
69.07074	1.5
70.66706	1.4
71.04992	0.7
79.05502	7.8
79.11336	0.5
81.03429	1.0
81.07069	6.7
85.06541	0.8
85.66862	0.5
91.05485	9.2
93.07047	13.4
93.07641	0.7
95.04982	2.5
95.08612	10.8
97.06536	3.1
105.07034	11.8
107.08600	10.4
109.06515	8.3
109.10173	1.8
111.08073	2.0
115.05419	1.0
116.98739	0.5
117.07024	5.7
119.08591	11.7
121.06519	4.9
121.10137	5.4
123.08075	28.4
127.07548	0.7
129.07004	3.6
130.07820	0.5
131.08577	11.2
132.70320	0.5
133.06502	1.7
133.10139	7.0
135.08054	10.5
135.11679	1.4
136.12091	0.5
137.05992	1.3
137.09621	1.6
141.06998	1.7
141.09085	3.4
142.07794	0.7
143.08572	4.4
143.60870	0.5
144.09393	0.6
145.06509	1.0
145.10112	5.2
147.08058	6.1
147.11684	3.4
149.09628	31.2
149.13289	1.1
151.11200	0.7
153.09090	0.7
155.08554	2.6
156.09286	0.5
157.10135	5.4
159.08058	1.8
159.11699	17.1
161.09650	6.5
161.13237	3.3
163.11198	1.9
167.07045	0.5
167.08582	1.3
169.10124	4.1
171.11670	3.2
173.09641	2.0
173.13281	1.2
175.11197	2.0
175.14871	0.7
177.12740	2.1
179.10721	1.0
181.10126	1.5
183.07870	0.5
183.11658	2.6
185.09656	1.6
185.13266	1.6
187.11203	1.7
187.14798	1.5
189.12724	5.5
193.10184	1.0
195.11739	1.3
197.13289	4.9
199.11194	1.6
199.14742	1.0
201.00417	0.6
201.12720	1.2
203.14325	0.7
207.11850	0.8
209.13327	1.0
211.11263	2.3
211.14883	2.0
213.12822	1.0
215.14330	2.6
221.13295	1.4
223.14868	1.4
225.12711	2.1
225.16425	1.0
227.14272	0.6
227.17940	1.2
235.14867	1.5
237.16455	1.2
239.14267	1.4
239.17946	1.1
241.15785	1.1
243.17572	0.7
251.17900	0.7
253.15898	4.0
253.19481	1.7
255.17477	0.9
263.17880	2.8
269.19104	0.8
271.16953	4.1
271.20496	1.0
276.77112	0.5
278.84103	0.6
281.19012	14.1
287.20239	0.6
299.20068	72.0
300.20438	1.7
317.21121	54.3
318.21448	0.9
335.22171	100.0
336.22495	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.2219
Annotation	CHEBI:68865
Peak:m/z	Relative Intensity
53.03960	1.8
55.05511	3.6
59.15004	1.9
61.02935	12.6
67.05509	9.3
68.13303	1.8
69.07069	35.4
69.96546	8.9
69.96893	2.0
79.05490	10.3
81.07058	16.8
83.08591	2.6
91.05493	12.7
93.07047	16.6
94.06564	2.2
95.05005	2.9
95.08633	15.5
96.73511	2.2
97.06509	7.9
97.10177	2.4
99.08085	5.5
100.17592	2.2
105.07030	22.9
107.04979	2.5
107.08595	16.5
109.06527	2.5
109.10136	9.4
117.07025	14.2
119.08588	14.4
121.10135	9.7
122.06059	3.5
127.31660	1.9
128.68001	1.8
129.07002	6.4
131.04945	3.7
131.08585	19.6
133.10135	10.6
135.11700	7.5
141.06963	2.5
143.08566	11.6
145.09026	3.0
145.10120	24.6
147.11673	12.4
149.13312	3.0
150.05511	31.1
151.70474	2.2
153.09126	1.9
155.08569	8.9
157.10118	11.3
159.11717	11.4
161.09610	3.0
161.13254	5.7
163.11221	8.0
166.05013	8.7
169.10162	6.8
171.11736	10.3
173.13306	15.8
175.11241	2.6
176.03557	1.9
183.11716	7.3
185.13312	5.2
187.14864	2.7
189.12737	5.0
197.13266	13.1
199.14830	4.3
201.12746	4.7
201.28929	1.9
211.14876	11.6
213.16434	5.8
218.11893	4.8
219.13866	9.0
225.16423	7.9
228.10271	3.4
239.18022	4.1
243.17526	2.2
243.21107	3.2
246.06393	2.4
246.11328	6.3
253.19542	42.3
255.17464	3.9
257.18994	4.9
263.17905	2.7
271.17688	3.7
271.20587	27.1
281.19022	16.2
287.10291	7.6
299.10391	4.5
299.20084	70.8
317.11362	7.3
317.21231	14.2
335.11783	4.0
335.22226	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.2217
Annotation	CHEBI:68866
Peak:m/z	Relative Intensity
53.03926	3.0
53.63205	1.9
55.01876	2.5
55.05507	6.5
56.96563	3.1
65.03965	3.0
67.05505	16.3
69.03446	3.7
69.07066	7.5
71.52930	2.5
79.05508	14.1
81.03410	4.2
81.07062	21.0
83.04987	4.8
83.08633	4.4
85.06510	2.4
87.16183	2.3
91.05485	14.0
93.07043	24.7
95.04959	7.9
95.08607	23.6
97.02892	6.6
97.06529	5.2
102.11453	2.4
105.07032	25.1
107.04964	3.9
107.08602	20.9
109.02937	3.3
109.06490	3.9
109.10159	19.2
111.04488	2.1
117.06994	11.2
118.32724	2.2
119.08587	16.4
121.06508	3.4
121.10173	14.4
122.06035	5.9
123.08109	5.5
123.11712	4.5
125.09655	3.2
129.07007	5.2
131.08568	16.2
133.10124	17.0
135.11685	7.5
136.07570	13.6
137.09604	4.6
139.11214	2.8
141.69608	2.1
143.08531	10.7
145.10135	24.1
147.11687	12.7
147.43033	2.1
149.09660	5.0
149.13181	3.0
155.08543	9.7
157.10156	10.7
159.11690	17.0
161.09637	4.6
161.13263	7.0
163.03886	8.9
163.11200	10.9
164.07071	21.6
167.03397	3.9
169.10129	8.1
171.11656	10.2
173.13283	18.8
175.11183	4.3
175.14763	2.3
182.08102	16.3
183.11710	4.3
185.13269	6.3
187.14828	2.8
189.12570	4.8
193.12209	4.3
197.13255	14.4
199.14836	6.0
207.13817	2.6
211.14859	8.3
213.16513	2.9
217.12149	3.1
219.13832	9.5
225.16383	8.4
227.17839	2.4
243.21118	4.9
248.54268	2.2
253.19527	49.7
255.20801	3.5
263.18027	3.0
268.16443	2.5
271.10709	7.4
271.20551	34.7
281.18930	6.7
283.09561	2.3
289.10815	7.1
289.21658	7.0
299.20056	100.0
316.45459	2.3
317.10782	3.9
317.14630	3.4
317.21106	20.0
323.94937	2.3
335.18436	4.1
335.22226	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	335.2216
Annotation	13,14-dihydro-15-keto-PGA2
Peak:m/z	Relative Intensity
55.05513	4.8
67.05497	5.8
69.07030	2.4
69.08858	0.8
69.11250	0.7
69.52081	5.6
70.06564	1.8
78.44027	0.7
79.05489	8.1
81.06608	0.8
81.07055	9.7
88.07660	0.8
91.05467	5.8
93.07044	24.9
95.04971	6.6
95.08602	9.7
97.02838	0.8
97.06496	1.5
97.10165	8.5
100.77482	0.7
102.48579	0.8
105.07028	9.9
107.08591	12.3
109.06510	1.6
109.09469	1.1
109.10154	14.7
109.93691	0.8
110.24686	0.7
111.08040	1.0
117.06995	2.0
119.08571	12.1
121.06534	0.8
121.10143	31.3
123.08105	1.2
123.11713	4.8
129.06990	0.8
131.08540	3.8
133.10114	5.6
135.08029	1.8
135.11696	13.5
137.09610	1.6
139.11197	1.0
143.08492	2.8
145.10149	5.5
147.08028	1.7
147.11682	15.5
149.09637	4.4
149.13217	1.6
151.11145	1.2
153.09106	2.3
155.08551	1.4
157.10143	3.6
159.11659	3.4
159.22023	0.7
161.09604	2.1
161.13280	5.5
163.11150	2.6
165.09129	4.7
165.12735	2.2
169.10048	2.1
171.11664	3.2
173.13214	2.8
175.11203	9.2
177.12753	1.7
179.10674	6.4
183.11670	1.5
185.13287	1.9
187.11086	1.2
187.14774	2.7
189.12749	7.0
193.12218	4.0
197.13257	4.5
199.14758	1.2
201.12715	2.5
207.13809	1.0
211.14851	2.5
213.16331	2.2
215.14157	1.2
225.00597	0.7
225.16388	1.8
227.17960	1.7
229.15907	1.1
229.19528	2.2
229.23592	1.0
243.17439	2.9
243.21071	4.0
253.19528	17.5
259.20724	0.8
271.20554	51.2
272.20941	0.9
272.25858	1.1
273.26245	6.7
287.46014	0.7
289.21616	100.0
290.22079	2.4
299.20102	7.5
317.21136	6.6
335.22165	56.2
335.29837	13.1
336.22693	0.9
351.26047	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.2193
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	0.5
55.01878	0.4
55.05500	1.4
55.91147	0.4
57.03444	2.7
67.05180	0.7
67.05509	7.6
69.03398	0.4
69.07084	1.9
71.21935	0.7
72.09838	0.3
79.05488	3.8
81.07059	8.0
83.08624	1.3
91.05486	2.0
93.07053	4.4
95.05000	0.5
95.08614	7.3
105.07040	2.1
107.08590	2.5
109.06544	0.4
109.10171	2.4
117.07016	0.9
119.08620	0.7
121.10169	2.1
123.11709	1.1
131.08563	1.0
133.10127	1.1
135.11696	2.3
137.13252	0.6
145.10143	1.1
147.11644	1.0
149.13245	1.0
150.93584	0.4
156.26439	0.4
159.11690	1.0
161.13248	0.5
163.14822	0.6
173.13284	0.5
187.14830	0.7
193.23560	0.4
235.13115	0.5
243.21065	0.7
251.12711	0.4
261.22244	1.3
295.51733	0.4
335.21982	100.0
335.25793	13.7
336.22177	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.2195
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05524	0.4
56.96562	0.8
58.78611	0.4
60.44526	0.4
65.64291	0.4
65.98017	0.3
67.05493	1.0
69.03442	0.4
69.07061	0.7
69.83852	1.1
69.84248	0.5
79.05476	0.4
81.03447	0.4
81.07047	1.0
88.07700	0.4
88.14998	0.3
91.05482	0.7
93.07061	0.6
95.04973	0.5
95.08624	0.7
98.21408	0.6
105.07031	1.0
107.08604	0.8
119.08609	0.4
121.10211	0.4
131.08575	0.3
133.10106	0.8
135.72223	0.4
137.05981	1.2
141.44504	0.3
147.11751	0.5
159.11743	0.4
161.13211	0.4
194.72203	0.4
241.11148	0.4
275.19989	0.5
317.20850	0.6
335.21924	100.0
336.22195	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.2194
Annotation	Unknow
Peak:m/z	Relative Intensity
52.21133	0.4
54.49480	0.4
71.21901	0.7
108.20348	0.5
119.08585	0.5
163.08835	0.4
168.53607	0.4
221.80826	0.4
229.07796	0.4
294.24329	0.5
335.21939	100.0
336.22195	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.2194
Annotation	Unknow
Peak:m/z	Relative Intensity
52.89287	0.3
55.05517	0.4
67.05503	0.9
69.74403	1.5
75.40275	0.3
79.05489	0.6
81.07050	1.1
93.07041	0.7
95.08604	0.6
98.97547	0.3
103.75072	0.3
107.08604	0.3
109.10141	0.4
113.02127	0.3
168.81424	0.3
194.01483	0.3
334.56482	0.3
335.21927	100.0
336.22171	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.1238
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14813	0.5
53.03953	1.2
65.03934	2.9
67.05502	4.1
69.07069	100.0
69.46684	2.2
69.47095	1.5
79.05511	1.5
80.05016	1.5
81.07056	4.8
87.85797	0.5
88.58936	0.5
92.05009	3.7
93.05822	0.7
93.07029	1.5
94.06583	4.0
95.04984	1.6
95.08616	0.6
97.02869	1.1
97.06533	17.6
105.07032	1.0
106.06543	1.0
107.04928	0.5
108.04480	1.2
108.08082	0.6
109.06524	1.5
109.10101	0.8
114.95200	0.5
119.03680	0.8
119.08581	0.8
120.04498	0.9
121.05229	0.7
121.06553	0.6
122.06016	9.0
124.07594	2.7
125.05998	1.4
126.05486	0.6
128.06204	0.8
129.06984	0.7
131.07318	0.8
133.10196	0.7
137.05992	3.4
138.05505	5.4
140.07065	7.7
142.08643	1.2
143.07330	0.7
143.08443	0.6
144.08046	2.7
145.08868	2.0
145.10117	1.7
146.06030	0.8
146.09633	4.1
148.03928	4.5
150.05507	81.4
152.03468	1.3
152.07062	0.6
157.08936	3.1
157.10056	0.7
158.09622	0.9
159.10425	1.0
160.07614	1.7
160.11194	1.0
161.08368	3.8
162.09160	2.7
163.03931	0.7
163.11525	0.6
164.03357	0.8
165.04218	1.4
166.05002	29.4
168.06532	1.0
172.07581	1.6
172.11252	4.5
173.08354	2.4
174.09116	2.0
174.12811	6.4
176.03432	8.7
178.05002	2.4
182.04489	1.0
185.08391	2.4
186.07605	1.7
186.09103	1.0
188.10739	1.5
190.12270	4.5
192.02832	0.8
194.04483	4.1
198.07787	1.4
199.06334	0.8
200.07033	1.1
200.10725	9.2
202.12263	8.3
213.10280	1.0
216.10266	4.5
217.13454	0.6
218.08231	1.9
218.11761	29.4
226.08667	1.3
227.11731	0.9
228.10201	17.6
229.13370	2.2
234.11261	3.3
239.29337	0.5
241.09798	0.7
243.11259	1.7
244.09737	1.8
245.12849	1.5
246.11256	26.6
255.11292	1.8
256.09714	2.0
257.09250	1.5
261.08777	1.3
261.12213	1.0
262.10831	0.8
269.09247	1.2
271.10818	4.4
272.09100	4.3
273.12344	3.7
274.10733	2.8
287.10257	7.3
289.11838	11.3
290.10175	2.2
291.13263	0.8
299.10233	7.3
300.08975	0.6
317.11337	32.4
318.09631	1.2
335.12387	34.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.1184
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96565	90.2
57.02731	0.9
57.12543	0.9
57.43784	0.9
66.79309	0.8
69.03426	2.6
70.06571	2.2
70.85680	3.1
70.98125	26.9
71.04969	1.0
71.95232	1.8
72.05265	1.0
72.08126	1.5
72.96050	1.2
74.97583	3.9
80.04996	1.1
82.99821	2.3
84.96038	5.8
85.02882	2.3
86.97569	4.0
88.99152	7.6
89.03871	1.8
95.04961	1.2
97.01359	1.1
97.02903	6.6
98.97573	7.6
100.99150	11.9
101.00884	13.5
103.02436	1.2
107.00167	1.9
110.96846	1.6
110.97575	21.2
112.07574	1.6
112.95486	4.4
113.00872	4.4
115.00642	4.0
115.02445	1.7
116.07075	1.0
116.98631	4.7
117.03355	1.6
118.03502	1.2
119.00136	4.4
119.01920	17.4
120.08099	1.7
121.06487	2.5
123.04588	1.7
123.05547	27.8
126.97018	3.2
127.02438	1.8
128.97691	1.4
128.98611	23.8
129.03986	1.1
130.06523	2.2
130.08621	3.0
130.96509	4.6
131.01932	9.4
131.05522	3.3
133.01768	8.9
133.02704	1.6
133.03551	1.5
134.99583	1.6
135.04417	4.7
137.00986	0.9
137.02951	2.0
138.05498	2.0
143.00259	5.8
143.01898	44.5
144.98087	58.4
145.03600	6.9
146.99651	11.4
147.04977	2.6
148.97531	3.1
149.06569	4.1
151.02737	1.2
153.03983	1.5
155.01894	10.9
155.05574	1.6
157.03450	2.3
158.99622	1.0
159.04987	2.7
160.98155	1.0
161.01219	9.1
161.02919	41.2
161.04329	1.9
162.99150	43.8
163.02573	1.5
163.03877	22.4
165.00667	2.0
167.01819	1.0
169.03459	11.5
171.05023	4.9
172.04425	1.0
172.95146	1.0
172.97580	7.7
173.02965	7.7
173.04210	2.1
173.06596	13.2
175.02773	1.1
175.04449	1.2
177.00763	1.6
177.06126	1.5
179.02263	9.0
181.00189	7.5
185.02940	2.9
185.06573	13.6
186.00728	1.1
186.99101	10.6
187.04532	8.0
187.08125	2.2
190.98672	5.5
191.05182	1.6
191.07584	3.3
197.02972	6.3
199.07947	1.4
201.05942	1.2
203.04019	5.2
203.07663	4.9
205.00214	84.1
214.91948	1.0
215.03584	1.3
215.05046	8.1
215.07620	6.1
221.05055	8.8
223.01254	100.0
224.01515	1.4
227.05022	4.1
227.07195	1.5
228.01692	3.3
232.99800	2.1
233.08694	1.6
237.02791	1.2
241.02274	9.1
245.05266	2.0
246.02849	2.9
247.01265	36.0
249.02740	2.2
257.08633	2.5
259.01282	10.8
259.04218	1.3
263.06152	1.2
265.02295	8.4
275.00864	5.4
275.06067	22.7
275.09665	17.7
277.02100	1.3
277.29706	1.0
284.99164	2.7
293.01727	2.1
293.07678	1.7
293.10791	45.6
303.00235	27.4
303.03531	1.4
307.08264	1.3
312.02502	0.9
316.12277	2.2
317.01846	7.6
321.01028	1.1
335.02942	31.4
335.11902	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	335.1127
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	2.4
62.82038	1.5
65.03947	21.2
65.35843	1.7
65.97847	1.7
67.05502	16.9
69.03419	3.2
69.07070	3.0
69.31304	4.9
69.31732	9.9
70.06584	3.5
71.04961	1.9
71.79270	1.6
79.05496	4.2
81.07053	5.9
88.07635	2.0
91.05479	5.0
93.03410	20.9
93.07056	5.7
95.01374	1.7
95.04976	3.5
95.08611	3.2
97.02898	54.0
97.06522	2.3
98.21552	3.1
98.97583	2.3
104.05328	1.4
105.07023	5.9
107.08588	6.9
109.02903	1.7
109.06512	3.6
109.10164	6.7
111.04411	3.3
111.08156	1.6
117.07045	3.0
119.08594	5.3
121.02878	8.3
121.06503	2.4
121.10181	3.0
123.08041	2.0
123.11743	2.0
125.02357	5.4
125.06003	2.6
127.07545	2.2
128.06241	2.1
129.07007	2.2
131.08617	3.3
132.10217	1.7
133.10136	6.5
137.05948	2.9
138.06763	2.7
139.03914	4.8
141.06953	3.6
144.05725	2.2
147.08092	1.6
149.02339	23.2
151.07536	2.4
151.11218	11.2
153.05457	18.7
153.06668	2.3
154.06258	15.9
157.06464	4.3
159.08084	6.0
163.03867	2.4
167.03416	57.5
167.07079	2.0
168.05731	2.7
168.06302	1.9
168.07816	23.2
169.06456	5.0
169.08615	11.6
169.12335	2.7
171.08044	3.0
172.08818	2.5
173.09636	3.4
173.13242	1.7
174.06895	1.6
175.07550	4.1
179.10677	2.1
181.08533	2.2
182.07323	1.8
183.08011	2.3
185.06013	6.1
186.06822	2.8
187.07536	13.0
189.09065	3.3
191.03505	2.9
191.07010	5.6
192.07701	1.7
195.06526	15.6
197.06010	2.8
198.06770	2.8
199.07542	6.2
200.08318	2.6
201.09125	11.4
202.09891	33.7
203.07048	4.6
205.08766	2.1
210.06615	2.3
212.08336	13.8
213.05537	8.2
213.09036	1.8
214.06215	2.4
214.09949	1.9
215.07051	4.3
215.12724	2.7
217.08598	13.3
218.09355	8.2
221.08153	3.1
227.07021	3.1
228.07822	6.9
229.08583	9.0
230.09416	4.8
231.10320	2.9
232.10951	6.0
233.08165	11.3
233.11728	30.9
240.07768	3.3
242.09492	2.0
243.06433	3.6
243.10179	35.7
245.08131	3.8
246.08972	2.3
256.07306	6.5
257.08099	4.9
258.08932	10.5
261.11212	17.7
271.09644	35.9
289.10721	100.0
317.10211	25.4
317.16046	3.3
334.29691	4.6
335.11331	45.1
335.18057	3.8
335.25967	3.0
335.29861	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	335.1126
Annotation	Unknow
Peak:m/z	Relative Intensity
52.14698	1.7
55.05511	3.3
55.83399	1.9
56.96566	6.5
60.06923	2.1
65.03939	19.8
67.05512	13.7
69.03417	2.1
69.07073	3.7
70.63838	5.8
71.04976	2.3
73.65138	1.9
75.04487	2.0
79.05502	3.4
81.03409	2.5
81.07069	9.5
83.04971	3.7
88.07643	2.2
91.05484	7.4
93.03405	22.7
93.07052	7.9
95.04983	4.6
95.08618	8.9
97.02299	3.9
97.02898	60.7
97.03525	3.6
97.06546	3.9
98.97591	5.1
102.98569	2.0
105.03393	2.2
105.07027	4.2
107.04953	2.4
107.08606	7.1
109.02891	1.8
109.06523	3.0
109.10172	10.7
111.04532	2.2
117.07037	2.0
119.08563	4.8
121.02879	7.7
121.06482	2.5
121.10116	5.7
123.04411	2.2
123.08084	3.4
123.11656	2.3
125.02358	6.9
125.05994	3.3
125.15407	1.9
128.06241	2.5
129.07008	4.3
131.08551	3.1
132.10208	2.5
133.10144	8.1
138.06769	2.7
139.03871	4.6
141.06966	3.2
145.10161	3.0
147.04436	2.5
147.11682	4.8
149.02327	22.8
151.07567	4.2
151.11153	11.8
153.05467	16.6
154.06274	15.6
157.06526	2.6
157.10109	2.3
159.08058	4.0
161.09700	2.3
163.03934	3.6
165.12790	3.4
167.03421	54.9
167.07103	2.5
168.07806	25.5
169.06506	4.8
169.08580	9.7
169.12225	4.9
171.08055	3.0
173.06027	2.9
173.09549	2.6
173.13414	2.8
174.06799	3.3
175.07622	2.9
179.10655	2.2
181.08705	2.8
183.08055	2.2
185.05988	5.5
186.06721	3.2
187.07520	10.2
190.06174	2.9
191.03429	5.4
191.07086	7.5
193.12297	2.7
195.06564	16.6
197.05922	4.7
198.06839	2.7
199.07646	6.2
201.09090	9.3
202.09901	36.0
203.07019	4.6
203.10603	5.2
206.05746	2.5
210.06831	3.8
212.08371	10.5
213.05443	6.9
213.09001	1.9
214.09953	2.0
215.07037	5.4
215.12843	4.2
215.23944	1.8
217.08612	12.9
218.09425	6.6
221.08090	4.5
227.07085	3.2
228.07814	4.4
229.08553	5.7
230.09564	2.5
231.06581	2.5
231.10123	3.3
232.10988	3.0
233.08096	13.0
233.11703	29.8
240.07774	2.8
241.04979	2.7
242.09497	2.9
243.10162	36.6
245.08078	2.7
256.07303	5.0
257.08112	4.5
258.08945	11.4
259.09726	3.1
261.11252	20.5
271.09653	31.1
275.09186	2.1
289.10715	100.0
294.06378	3.1
299.08817	2.5
317.10226	25.2
317.24680	2.8
334.29718	3.2
335.11267	46.2
335.14868	3.4
335.17966	4.0
335.21802	4.2
335.26089	2.9
335.29791	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.0287
Annotation	Unknow
Peak:m/z	Relative Intensity
52.71105	0.8
52.80775	0.9
56.96566	91.8
57.03436	1.2
59.25921	0.9
60.27925	0.9
65.78126	1.2
67.05520	0.9
69.03427	2.2
69.84263	2.3
69.84673	3.7
70.06596	1.8
70.98125	29.3
71.04999	1.1
72.96027	1.5
74.97599	3.2
80.31708	1.1
82.99837	1.1
84.04499	1.5
84.08136	1.6
84.96035	4.8
85.02895	4.0
86.20053	1.0
86.97589	3.8
87.05593	0.9
88.99170	9.8
89.03922	2.4
92.16284	0.9
95.04978	1.4
97.02900	10.3
98.97585	8.4
100.99147	11.2
101.00879	7.3
110.97570	26.7
110.98344	1.5
112.07591	3.2
112.95524	2.8
113.00864	2.4
115.00723	2.8
116.98615	3.6
117.03377	2.6
119.00172	5.2
119.01926	6.5
121.06493	2.8
123.05556	36.4
126.97035	3.4
128.97676	2.1
128.98605	26.7
130.06506	2.0
130.08630	6.4
130.96518	4.5
131.01898	4.6
133.01735	9.8
133.02711	1.9
134.99673	1.3
135.04422	4.6
138.05453	2.2
143.00182	6.6
143.01901	15.0
144.98096	59.8
145.03447	4.0
146.99652	13.7
148.97578	2.9
149.06602	1.3
154.96487	2.1
155.01907	6.9
158.57085	1.0
158.99706	1.6
161.01213	9.5
161.02946	14.9
162.99150	41.0
163.03894	21.2
164.04193	2.1
165.00714	1.5
169.03442	5.3
172.97574	6.4
173.02937	4.1
173.06610	4.7
177.00746	2.4
179.02242	10.0
181.00188	6.6
183.54022	1.1
185.06577	6.3
186.00757	1.8
186.99091	11.7
187.04521	3.9
189.00758	1.4
190.98653	8.5
191.07732	1.9
197.03127	5.3
203.03897	2.0
203.07654	3.3
205.00209	86.1
215.03912	1.6
215.07626	3.0
219.01744	1.5
221.05055	4.2
223.01259	100.0
228.01772	4.0
231.01717	1.8
232.99673	1.1
237.02774	1.5
241.02287	7.9
243.07710	1.4
246.02866	2.1
247.01253	34.0
249.02824	2.1
257.08685	2.0
259.01242	11.0
265.02350	10.1
275.00806	2.1
275.06201	9.2
275.09473	7.4
277.02255	2.8
284.99130	2.7
293.01736	2.4
293.07483	1.6
293.10803	17.3
303.00247	34.9
312.02335	1.2
316.12347	1.2
317.01813	7.2
335.02914	31.1
335.12662	36.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	334.2742
Annotation	Unknow
Peak:m/z	Relative Intensity
51.88913	1.1
52.07245	1.0
55.01860	3.7
55.05506	4.8
56.96564	3.1
57.03428	2.1
57.07074	4.9
59.07205	1.1
67.05507	12.3
69.03429	2.3
69.07069	8.3
71.08644	9.2
71.32841	1.1
71.33765	1.2
72.04520	71.5
79.05497	10.5
81.07055	17.1
83.04990	1.9
83.08620	2.4
85.06553	2.4
88.07640	1.4
91.05486	8.3
93.07050	12.0
95.04977	17.1
95.08610	18.9
97.06529	4.5
98.97601	2.6
98.98481	1.9
99.08085	4.0
100.07614	2.4
105.03417	1.1
105.07033	8.3
107.08591	12.5
109.06526	19.0
109.10181	5.3
110.97504	1.2
114.09173	16.8
116.97301	1.2
117.07014	1.7
119.08590	6.3
119.35946	1.1
121.06519	3.9
121.10138	4.8
123.08057	2.1
128.10736	8.4
131.08585	6.1
131.86443	1.1
133.10130	10.1
135.08070	2.8
137.09636	2.0
140.10683	1.4
142.12277	3.7
143.48456	1.0
145.10124	4.1
146.01326	1.4
147.11694	4.6
149.09598	2.7
149.13254	4.4
154.12256	1.3
156.13835	2.1
159.11684	2.7
161.13269	1.2
163.11224	2.2
165.12758	100.0
173.13242	6.0
175.11192	4.4
175.14822	1.4
177.12813	1.2
179.14217	1.5
180.13843	3.8
182.15404	14.4
183.11743	1.8
184.13371	1.1
184.17023	2.2
189.16391	1.2
191.14291	7.0
201.12743	5.2
212.16475	11.1
220.16948	11.8
229.07060	1.7
229.19566	3.7
236.20113	38.3
271.20654	7.6
274.22763	1.2
278.21191	1.4
285.10013	1.7
289.21616	6.3
293.05554	1.5
316.26358	8.1
334.20865	2.5
334.27402	78.1
335.21930	11.0
335.25916	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	334.1496
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	1.7
55.05514	6.4
56.96555	2.2
57.03428	2.7
61.02908	2.6
69.03422	7.1
70.06578	2.8
70.21366	3.8
71.04978	3.3
72.08138	1.5
79.05481	3.8
79.67195	1.2
81.03400	3.3
81.07061	15.7
82.85918	1.2
83.08614	6.3
84.04491	3.7
84.08144	2.4
85.01131	2.6
85.02915	15.6
85.06540	2.7
88.03993	1.3
89.03902	1.2
91.05466	1.9
93.06999	1.3
97.02897	6.0
97.05230	1.5
98.06020	2.0
98.09689	2.2
98.97571	4.2
98.98484	2.5
102.03706	1.9
102.05521	3.1
102.20226	1.2
108.08107	4.1
109.02809	1.7
109.06515	14.3
110.06042	1.3
111.04455	1.2
111.08072	2.0
121.06513	2.2
124.07523	1.2
126.09159	41.8
127.03919	3.3
127.07561	14.0
131.96690	1.6
135.04445	1.9
136.07603	1.8
137.05927	2.6
138.06299	1.8
145.04974	2.4
147.04338	1.2
151.03818	1.1
154.08640	55.4
155.07033	25.5
155.88452	1.2
159.04398	2.1
162.09145	1.2
163.03889	5.1
164.04237	1.5
168.07379	1.7
172.03749	1.9
172.09691	100.0
196.66138	1.2
205.06479	2.9
311.06625	1.3
316.13815	1.8
317.17261	1.5
334.08960	93.3
335.09085	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	334.1247
Annotation	Unknow
Peak:m/z	Relative Intensity
50.11955	0.3
52.30312	0.3
53.03947	0.3
53.22145	0.3
53.51895	0.3
55.01877	0.4
56.05048	0.4
56.96566	0.9
57.03428	0.8
59.06120	0.8
61.02922	1.0
67.36554	0.3
69.03439	3.4
69.07066	0.3
70.06611	0.5
70.15189	1.4
71.04980	0.4
72.04544	0.5
72.08163	0.7
73.02895	0.6
75.05605	0.7
81.03418	1.2
84.04515	0.8
84.08146	0.4
85.01133	0.4
85.02914	7.2
86.09711	0.9
87.04472	0.8
87.05631	0.7
88.04041	0.3
91.03937	0.4
97.02892	2.6
97.35420	0.3
98.97580	0.9
98.98489	0.5
99.04465	0.6
102.03777	0.3
102.05551	0.8
109.02894	0.8
109.06505	0.6
110.06055	1.0
115.05096	0.4
116.98660	0.3
117.03381	0.4
123.04472	0.5
123.05576	0.4
127.03967	1.8
130.05043	0.4
135.04443	1.1
136.06250	0.4
137.06050	0.7
145.04993	0.8
154.08607	0.9
155.34752	0.3
157.04803	2.6
163.03929	2.5
172.07190	100.0
187.14311	0.4
217.78197	0.3
334.12567	2.8
335.11520	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.2061
Annotation	7beta,18-dihydroxykaurenolide
Peak:m/z	Relative Intensity
53.03955	1.2
55.01879	1.7
55.05508	1.7
57.03435	0.9
57.07078	0.7
59.05005	0.9
63.93041	0.7
64.84930	0.7
67.05507	6.3
69.03434	3.4
69.07073	2.9
70.76373	0.9
70.76710	1.7
71.04996	2.0
73.02917	1.0
76.66451	0.7
79.05497	6.7
81.03411	2.2
81.07066	6.2
82.06574	1.1
83.04985	1.6
83.08614	0.9
85.02900	6.2
85.06551	0.9
86.09673	1.7
87.04435	1.0
91.05474	9.3
91.05950	0.9
93.07040	10.0
95.04984	2.9
95.08617	8.7
97.02899	3.0
97.06534	2.3
98.97606	1.5
98.98468	4.9
100.11269	3.1
101.11613	1.4
105.07030	11.1
105.07698	1.1
107.04998	1.1
107.08601	8.2
109.02850	0.8
109.06525	3.2
109.10170	3.3
110.06026	0.7
111.08085	2.5
113.09667	4.2
117.07029	5.1
119.08568	7.4
121.02876	0.8
121.06506	4.7
121.10138	3.7
123.08078	9.3
125.09655	0.8
127.03895	1.2
127.11219	3.6
129.07025	4.4
131.04942	2.1
131.08575	10.2
133.06494	8.5
133.10114	3.8
135.08044	5.7
135.11713	2.8
137.06003	2.4
137.09625	1.6
138.05521	1.5
141.06984	3.4
142.07846	1.0
143.08565	4.3
145.04962	1.3
145.06490	3.1
145.10117	8.9
147.04388	1.4
147.08049	17.3
147.11726	1.9
149.05969	1.1
149.09619	22.2
149.10756	1.4
150.05496	2.9
151.03918	0.8
153.12744	6.2
155.08572	3.6
155.14310	1.6
157.10109	4.8
159.08095	6.4
159.11696	15.0
161.09616	2.9
163.03966	1.2
163.11177	0.9
167.07098	1.9
167.08527	1.4
169.10139	5.1
171.08070	1.6
171.11739	3.2
171.13841	4.2
173.09610	5.0
173.13248	1.3
175.11224	1.2
181.10167	1.9
183.08089	0.9
183.11749	2.7
185.09679	2.3
185.13275	2.5
187.11180	6.0
195.11749	3.0
197.09679	1.5
197.13278	5.1
199.11179	4.2
199.14851	2.0
201.12709	1.2
203.14334	0.7
205.12254	20.7
207.11690	0.8
209.13376	2.5
211.11218	0.8
211.14796	6.8
213.12769	2.1
213.16328	1.1
223.11180	1.1
223.14877	1.8
225.12881	1.0
225.16457	1.7
227.11807	1.2
227.14171	1.1
227.18016	0.8
237.12878	1.3
237.16533	0.9
239.14392	3.8
241.09833	0.8
241.12288	1.9
241.15947	1.0
243.13837	3.0
243.17665	1.3
247.13301	1.1
251.14296	1.6
251.17876	4.3
253.15884	2.2
255.17429	4.6
257.15402	3.0
259.16907	1.0
269.15945	1.4
269.19064	9.7
271.17087	0.9
273.18494	1.9
279.17514	6.3
285.18604	1.5
287.17087	0.8
287.20224	2.5
297.18509	24.3
301.11823	3.2
315.09805	0.8
315.19522	27.6
315.23022	1.4
333.20633	100.0
334.20871	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.2038
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96554	1.0
67.05490	1.3
71.16704	0.9
79.05500	0.7
81.07056	1.0
82.19647	0.4
91.05507	0.8
93.07053	0.7
95.08576	0.8
98.98466	3.8
105.07026	1.0
107.08582	0.7
109.10127	0.7
113.44116	0.5
121.10120	0.6
131.08551	0.7
147.11623	0.5
148.97836	0.5
176.98938	0.7
181.04855	0.7
205.88248	0.5
273.22095	1.2
333.20370	100.0
334.20731	1.1
351.20102	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.2036
Annotation	Unknow
Peak:m/z	Relative Intensity
54.29598	0.3
56.96548	0.8
57.03428	0.3
57.07070	0.5
60.51579	0.3
67.05506	0.8
70.12379	1.0
78.43051	0.3
79.05484	0.9
81.07054	1.0
91.05509	0.5
93.07041	0.5
95.08605	0.6
95.68172	0.3
98.98468	3.7
105.07034	0.9
107.08605	0.6
107.83893	0.3
109.10119	0.5
119.08603	0.9
131.08540	0.5
135.11659	0.4
157.10228	0.3
158.51041	0.4
163.84531	0.3
169.22495	0.3
176.98869	0.5
193.04974	0.5
213.87756	0.3
237.07977	0.4
255.21260	0.4
263.12677	0.4
273.22177	1.0
333.20367	100.0
334.20697	0.9
344.14810	0.4
351.18594	1.1
352.18634	0.4
357.92108	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.2036
Annotation	PGB3
Peak:m/z	Relative Intensity
58.93657	1.1
62.92351	1.1
70.76646	2.1
91.05506	1.5
98.98444	3.5
185.47023	1.4
195.09912	4.1
273.76645	1.5
315.19318	25.8
333.20370	100.0
333.33527	1.7
355.48117	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.2039
Annotation	Unknow
Peak:m/z	Relative Intensity
57.88722	0.3
65.53070	0.3
69.84732	1.6
76.00080	0.3
81.07055	0.3
98.98471	1.7
129.08690	0.3
132.85561	0.3
160.77878	0.3
235.13057	0.5
246.04929	0.3
257.12424	0.4
273.22156	0.5
315.19186	0.5
319.78131	0.3
333.20380	100.0
334.20853	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.2038
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	0.7
56.96566	3.2
67.05486	0.9
71.22030	0.8
73.15472	0.5
75.06522	0.5
79.05512	0.9
81.07061	1.3
93.07058	1.8
95.04894	0.5
95.08610	1.8
98.98470	4.3
105.07038	1.8
107.08607	1.9
109.10146	0.9
117.06963	0.8
119.08574	1.5
131.08525	0.6
133.10146	0.8
145.10156	1.0
147.11647	0.8
151.82802	0.5
159.11705	1.1
161.13222	0.5
173.13248	0.6
175.17810	0.5
177.58443	0.5
219.03180	0.5
225.14079	1.0
231.14142	0.8
240.14581	0.6
240.64784	0.6
249.15091	0.8
249.65160	0.6
255.21060	1.6
262.14163	0.7
265.14636	0.7
271.14594	1.1
273.22113	2.9
279.22043	0.6
300.66364	1.1
301.21539	0.7
302.36435	0.5
315.19452	0.6
333.20383	100.0
334.20596	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.2037
Annotation	Unknow
Peak:m/z	Relative Intensity
51.12812	0.4
56.81152	0.3
56.96563	0.6
66.91405	0.4
67.05486	0.5
79.05486	0.5
81.07063	0.5
98.98462	3.4
107.08555	0.4
113.67725	0.4
119.08614	0.4
150.27658	0.4
176.98990	0.6
178.26590	0.3
193.05049	0.4
194.77824	0.4
195.09904	1.2
198.85791	0.4
273.22205	0.6
287.11667	0.7
309.66669	0.5
315.18884	0.4
333.20377	100.0
334.20816	0.9
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
52.49875	0.4
55.05515	1.2
56.96564	1.8
57.07059	0.4
67.05490	1.5
69.07071	1.1
69.75368	1.7
71.08649	0.5
73.12855	0.5
75.22636	0.4
79.05498	1.4
81.07053	1.7
83.08629	0.6
91.05472	1.2
93.07060	1.4
95.04970	0.5
95.08616	1.4
98.21578	0.5
98.98476	5.6
99.04504	0.4
105.07027	0.9
107.08603	2.0
109.06541	0.5
109.10149	0.8
119.08595	1.4
121.06512	1.2
121.10151	1.2
124.55193	0.4
131.08614	0.8
133.10159	0.9
135.08052	0.8
135.11713	0.4
145.10191	0.4
147.11684	0.5
159.11646	0.7
165.12762	0.5
176.98943	1.4
177.12770	0.8
181.05069	0.7
231.14030	0.7
269.10666	1.5
289.21609	0.5
308.16705	0.6
309.66852	0.5
310.21198	0.4
332.34451	1.1
332.65912	0.6
333.20401	100.0
333.24097	7.0
333.34482	2.2
334.20743	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.2038
Annotation	Unknow
Peak:m/z	Relative Intensity
70.90967	0.9
70.91310	0.5
79.05489	0.7
98.98472	2.1
100.07297	0.5
105.07040	0.5
134.18045	0.5
145.10147	0.6
181.79836	0.4
183.20856	0.5
235.13080	0.7
251.12608	0.6
315.19641	0.8
333.20370	100.0
334.20868	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.1907
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	3.0
54.87173	2.3
55.01859	2.2
55.05513	22.3
56.96549	2.7
57.03427	7.6
59.04976	2.8
61.02922	3.9
62.25621	2.1
67.05496	4.6
69.03425	15.4
69.07063	9.1
69.84624	10.5
71.04997	23.7
72.08156	5.9
73.02908	6.7
73.06571	2.5
79.05486	10.2
81.03416	4.0
81.07059	28.6
83.04981	3.1
83.06087	3.1
83.08626	19.9
84.04514	2.7
85.02909	52.9
91.05464	16.0
93.03411	3.2
93.07046	31.8
95.04974	7.2
95.08610	12.7
97.02908	11.5
97.06559	3.6
98.97588	8.0
98.98479	18.6
99.04478	3.0
103.03968	3.1
105.07037	21.5
107.04926	3.0
107.08592	30.3
109.02854	5.5
109.06525	6.4
109.10168	4.9
111.08071	2.6
115.03915	3.5
115.69716	2.8
117.07031	6.3
119.04908	2.9
119.08608	22.1
121.06513	25.2
121.10163	4.1
122.06848	20.1
122.83753	2.7
123.04444	2.3
123.08070	2.3
123.11719	2.3
125.05972	5.8
125.13306	4.7
126.06348	4.3
127.03934	7.0
129.06659	9.9
130.07799	3.2
131.08553	13.6
133.04951	4.9
133.10109	3.7
134.29561	2.4
135.11708	23.2
137.05984	6.0
137.09488	2.9
137.13292	5.6
138.09146	10.3
139.09474	8.0
139.55894	2.5
143.08545	7.4
145.04956	3.8
145.06535	2.8
145.10129	13.6
146.06009	4.2
147.08098	12.1
147.11723	4.5
149.09587	4.6
149.13275	3.1
151.07491	2.1
151.11134	3.2
153.05478	17.6
153.06544	2.4
153.09161	2.3
153.12741	51.1
154.05820	15.8
157.06467	3.4
157.10155	3.0
159.08014	7.0
159.11702	3.8
161.09570	3.9
163.03915	3.5
163.11148	3.6
165.12740	17.2
167.06982	4.0
171.08067	5.8
171.10107	3.7
171.11703	4.1
173.09619	9.2
173.13310	4.0
175.07506	3.3
176.98946	4.2
177.12746	7.0
183.11725	4.2
185.13202	2.9
189.12738	7.4
191.10684	4.5
195.06541	9.5
196.06822	13.3
197.13219	2.7
201.12698	3.6
204.10185	3.1
207.10083	2.9
207.13861	3.0
215.14302	3.2
219.13669	4.2
231.13957	5.7
243.13855	4.7
251.17876	4.0
261.14868	9.2
269.09351	2.7
269.19058	5.5
275.14606	13.3
279.16064	5.2
287.20087	2.9
296.13644	2.5
297.17111	7.4
315.18063	15.1
333.11032	4.7
333.15094	100.0
333.19070	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	333.191
Annotation	Betulalbuside A
Peak:m/z	Relative Intensity
53.03943	6.3
53.63118	4.5
55.01865	9.0
55.05502	16.1
56.96556	14.0
57.03445	22.2
57.07081	4.2
57.21249	4.1
59.04989	5.9
61.02924	6.5
63.87321	4.1
67.05505	9.5
67.95264	4.7
69.03437	23.5
69.07073	23.1
70.06588	8.8
71.04996	48.1
71.51709	6.0
72.08156	7.8
73.02920	10.6
79.05503	20.5
81.03409	8.2
81.07064	45.3
83.08626	5.3
85.02435	8.0
85.02908	89.4
85.06536	5.9
91.05483	44.4
93.07050	51.6
95.04966	6.7
95.08633	20.4
97.02905	19.6
97.06541	4.9
98.97585	49.0
98.98447	23.8
99.04467	5.8
101.02403	4.6
103.03944	9.7
105.07050	32.7
107.08595	46.4
109.02885	9.2
109.06533	10.2
109.10165	9.1
111.04436	5.7
115.03920	6.7
116.98673	24.6
117.07005	13.4
118.07716	4.9
119.04858	4.3
119.08572	32.6
121.06516	12.5
122.06802	10.1
123.08046	5.5
125.13242	5.0
127.03909	9.2
128.06195	4.7
129.06949	4.6
131.08582	22.7
133.05003	6.7
133.06494	5.6
133.10107	6.5
134.99652	8.6
135.08116	5.8
135.11685	41.5
137.05997	6.8
137.13261	14.5
143.08595	15.8
143.26068	4.8
145.04945	7.8
145.06557	7.3
145.10161	23.0
147.04411	6.4
147.08044	24.5
147.11627	4.8
149.09615	7.0
151.11212	5.1
151.72968	4.3
153.05507	7.0
153.12753	100.0
153.65202	4.2
155.08633	5.4
157.10173	5.5
159.08037	10.3
159.11682	7.4
163.06007	5.8
163.11153	5.1
165.12773	34.0
167.07025	14.7
171.08026	6.3
171.11533	4.7
173.09618	20.0
173.13318	9.1
175.07541	6.2
177.12732	16.2
183.11742	6.5
189.12677	13.2
191.10626	9.5
195.08923	6.7
205.12332	5.2
217.09637	7.2
219.01804	7.4
219.13663	5.7
231.13805	10.8
233.07353	10.1
243.13815	11.4
261.14856	10.0
265.87518	5.0
279.15894	9.8
287.10306	6.8
297.16956	19.5
311.06607	21.8
312.10358	9.3
314.97678	4.0
315.09647	5.9
315.18051	24.3
321.10785	13.0
322.10321	4.8
329.07806	5.3
333.10406	25.1
333.15051	27.9
333.20126	6.9
339.92236	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	333.1737
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96568	32.8
57.07076	0.8
60.64986	0.6
67.05494	2.1
69.07052	1.7
71.52289	0.8
71.83083	0.6
71.95266	5.7
72.96032	1.6
74.97592	1.8
76.54327	0.6
79.05482	2.0
81.07038	2.8
83.08623	0.7
84.96021	2.8
91.05474	1.8
93.07016	2.1
95.08616	1.0
97.06548	0.8
97.96820	3.0
98.97563	1.5
98.98465	8.9
99.98363	0.7
100.98875	1.1
105.00191	1.3
105.07016	1.4
107.08607	1.7
109.10152	1.5
110.96839	1.3
110.97571	17.5
115.97815	1.4
116.21773	0.6
116.98641	1.0
119.01675	0.8
119.08627	1.4
121.10162	1.0
123.01192	1.2
124.99091	1.0
127.00654	1.1
128.98608	18.2
130.83527	0.7
131.00089	0.8
131.08549	1.2
137.02690	1.2
143.00151	3.0
145.36412	0.6
146.99648	8.6
149.38275	0.6
151.04367	0.8
152.00169	2.0
152.01424	0.9
155.03804	1.2
157.01752	0.9
159.11743	0.7
161.01202	3.2
165.00816	0.9
167.03831	0.9
170.01193	1.0
171.03267	2.2
173.52350	0.8
175.02805	1.2
176.98923	1.6
181.05013	1.8
183.03308	1.0
185.04861	1.3
189.04329	2.1
201.04237	1.0
203.05830	1.5
209.05067	0.8
213.07881	0.9
218.46451	0.6
225.08015	1.0
227.09526	1.7
235.06189	0.7
241.11154	2.0
243.09109	0.7
245.08411	1.2
252.10359	0.7
255.20978	0.8
259.12222	1.0
263.09586	3.1
264.10226	1.2
265.11078	1.5
273.22052	1.2
277.11230	1.1
281.10532	0.7
283.12323	0.7
286.11020	0.8
303.12665	2.8
313.14709	1.9
315.16306	75.6
331.15826	2.9
332.65726	1.2
333.17316	100.0
333.24060	3.7
334.17499	1.1
349.16971	1.0
351.18414	15.2
356.18991	25.9
357.19174	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	332.222
Annotation	Tricalysiamide B
Peak:m/z	Relative Intensity
55.01866	0.4
55.05503	0.9
56.96553	1.1
57.07084	1.9
58.99576	0.5
59.04985	0.6
65.03928	0.4
67.05512	1.7
68.05026	2.6
69.03416	1.2
69.07074	2.1
70.06593	12.1
71.05016	0.6
71.17270	0.7
72.08148	0.4
75.92455	0.3
76.02225	1.1
79.05495	2.1
80.05031	0.4
81.03414	1.0
81.07056	2.8
82.06570	0.6
83.08624	0.7
85.02882	0.5
85.06530	0.7
86.09712	0.3
91.05482	4.1
93.07043	5.5
94.06561	0.9
95.04953	1.2
95.08598	1.8
96.08134	0.9
97.02933	0.5
97.06510	0.7
98.06035	0.8
98.97600	2.0
98.98470	4.4
100.07618	4.9
100.11249	1.1
103.05459	0.3
105.00124	0.4
105.07037	8.7
105.90629	0.3
107.08597	5.3
108.08112	1.9
109.06504	0.3
109.10155	1.1
112.07598	0.3
114.05527	2.4
114.09190	0.6
115.05461	0.9
116.07108	1.1
116.98611	0.4
117.07017	3.4
119.08583	9.1
120.08105	0.9
121.06502	2.1
121.10149	2.1
122.02733	3.9
122.09656	2.6
123.04357	0.4
123.08028	0.6
125.09699	0.4
128.06224	0.6
128.07082	5.4
129.06943	1.8
130.07794	0.3
131.08571	10.1
133.09067	0.6
133.10132	7.1
134.09605	0.5
135.08066	2.9
135.11691	1.5
137.05975	0.7
137.09570	0.4
139.03864	0.4
140.07094	0.6
142.07759	0.6
142.08656	4.3
143.01965	0.4
143.08566	3.0
145.10127	4.6
147.08125	0.6
147.11688	4.5
148.11206	3.3
149.09631	0.6
149.12056	0.4
149.13170	0.5
151.06271	0.7
152.07124	0.3
154.08620	3.4
157.10138	4.0
158.10901	2.5
158.99632	0.6
159.11708	2.8
161.09622	1.2
161.13385	0.5
163.03960	0.5
163.11180	0.5
164.07089	0.4
165.12766	0.6
166.08647	0.5
167.07045	1.1
168.10205	16.7
169.10190	0.9
170.10883	0.5
171.11728	1.9
173.09723	0.4
173.11771	0.5
173.13272	10.3
175.11217	1.8
175.14825	1.1
177.00757	0.3
177.02245	0.9
177.05495	0.5
178.08643	4.9
178.11067	0.4
180.10234	0.9
182.11792	0.6
184.12489	1.0
185.13329	0.5
186.12805	0.4
188.14360	0.9
191.14287	0.5
192.10199	1.1
193.12323	2.7
194.02722	5.2
194.11769	13.3
195.03242	0.6
199.14828	4.6
201.16414	1.2
202.15800	0.5
211.13301	0.7
212.14349	0.7
217.15866	2.5
228.17564	0.3
232.13344	1.2
233.14142	1.2
234.14842	0.6
248.16573	1.0
251.08765	0.4
252.09300	0.4
254.19113	0.7
258.14899	0.5
272.20056	0.8
273.17276	0.7
276.15964	1.5
281.99857	0.3
284.16446	1.3
286.21631	0.4
299.18948	0.5
302.17532	5.9
312.10257	0.6
314.17859	0.6
314.21170	2.4
316.12631	0.5
317.19879	2.4
332.05920	4.1
332.22211	100.0
333.22610	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	332.2224
Annotation	Tricalysiamide B
Peak:m/z	Relative Intensity
53.03934	0.3
55.05517	1.6
56.96554	1.2
57.07082	1.6
58.99569	0.5
59.05012	0.4
61.02911	0.4
63.56931	0.3
66.36893	0.3
67.05509	2.1
68.05035	2.2
69.03432	0.8
69.07076	3.8
69.47653	1.5
69.48079	0.9
70.06597	12.6
71.04993	0.8
74.02436	0.4
76.02219	1.8
79.05489	2.2
80.05034	0.6
81.03411	0.5
81.07065	5.2
81.55721	0.3
83.08615	0.8
83.65446	0.3
84.08118	0.3
84.96062	0.4
85.02914	0.4
85.06551	0.9
86.09737	0.4
86.99033	0.6
91.05494	5.1
93.07049	6.7
94.06561	1.1
94.07304	0.4
95.04965	1.2
95.08607	2.4
96.08115	1.5
97.02870	0.5
97.06515	1.2
98.06044	0.9
98.21487	0.6
98.97591	1.2
98.98473	4.1
99.04456	0.3
100.07625	4.5
100.11225	0.7
103.05451	0.5
105.00095	0.8
105.07039	8.2
107.04997	0.4
107.08601	11.1
108.08147	1.6
108.08811	0.3
109.06508	0.7
109.10156	1.3
111.08063	0.6
113.06001	1.4
114.05550	2.2
114.09169	0.7
115.05476	0.6
116.07089	1.5
116.98612	0.7
117.07030	3.6
119.08595	10.9
120.08107	0.7
121.06536	2.0
121.10166	2.3
122.02740	7.6
122.09677	2.5
123.08063	0.6
123.10397	0.4
125.06005	0.8
126.09138	0.5
128.06227	0.6
128.07077	5.6
129.07039	1.5
131.04903	0.7
131.08569	9.9
132.05266	0.4
132.08076	0.3
133.10135	6.8
134.09642	0.9
135.08055	3.7
135.11705	5.4
137.05960	0.7
137.09605	0.5
139.03918	0.4
140.07040	0.5
140.10707	0.4
142.07750	0.6
142.08670	5.0
143.01849	0.4
143.08571	2.9
144.09273	0.6
145.10144	5.0
147.08127	0.8
147.11694	5.1
148.11235	1.7
149.13228	0.4
151.06262	0.9
154.08643	3.7
155.08632	0.4
156.09238	0.5
157.10147	3.2
158.10907	2.1
158.99680	0.4
159.11714	3.0
160.11247	0.4
161.09630	1.2
161.13222	0.4
163.03894	0.5
163.11224	1.1
165.02463	0.5
165.12808	0.9
168.10208	18.5
169.10152	1.0
171.11732	2.0
173.13266	10.1
175.11179	2.3
175.14803	1.1
177.02243	0.9
177.05420	0.4
178.08635	5.8
180.10188	0.7
181.12267	1.7
184.12448	0.9
186.12715	0.6
188.14325	0.7
191.14299	0.9
192.10207	1.0
193.12280	3.4
194.02745	6.3
194.10089	0.4
194.11792	8.4
195.03374	0.6
199.14827	3.8
201.16432	1.0
202.15962	0.7
210.13550	0.3
211.13338	1.1
217.15900	2.8
231.01865	0.4
232.13338	1.3
233.14127	1.1
234.14842	0.7
241.03799	0.4
248.16496	0.9
254.19098	0.4
258.14981	0.4
258.26379	0.3
272.20065	0.9
273.16995	0.6
276.16040	1.7
278.16089	0.8
284.16568	1.1
286.21783	0.4
296.17441	0.5
302.17517	7.0
303.10043	0.4
312.10696	0.4
314.18225	0.8
314.21365	2.4
317.19879	2.8
332.05933	5.4
332.22223	100.0
333.22733	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	332.2221
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.4
53.65088	1.2
55.05511	2.5
56.05027	3.8
56.96560	1.7
57.07077	1.6
60.64761	1.0
67.05517	3.7
68.05043	5.8
69.07069	4.4
70.06601	2.6
79.05508	5.8
80.05013	3.5
81.05798	2.1
81.07058	16.3
82.06564	6.4
88.07615	5.8
91.05476	7.5
93.07049	15.0
93.84118	1.1
95.04969	2.5
95.07337	1.9
95.08607	4.5
95.55368	1.2
96.08164	1.7
97.09526	1.1
98.09702	8.0
98.98479	19.0
103.05486	5.7
105.04440	1.0
107.04954	29.2
107.08602	3.1
108.08131	5.6
110.09685	100.0
121.06509	58.0
123.04429	1.3
128.49937	1.2
132.10201	1.1
136.07558	1.5
139.03922	3.7
150.11273	5.2
166.15936	12.0
176.10669	2.4
176.99008	1.6
208.17001	4.2
216.13882	3.6
217.14622	34.7
218.15358	8.0
227.20041	2.6
270.24307	13.4
286.21661	31.3
312.12982	1.3
314.17673	2.7
314.21292	2.3
314.26797	1.7
332.18716	4.4
332.22229	11.3
332.28156	2.4
332.31580	1.7
333.20352	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	332.197
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	0.2
55.05503	0.8
56.05040	0.4
56.96552	0.5
58.06604	1.6
60.04525	0.2
61.99572	0.2
67.05492	0.8
69.03423	1.1
69.07069	6.3
70.04077	2.6
70.06583	1.7
70.84820	0.6
71.06113	0.7
71.07364	1.1
72.08152	1.1
79.05497	0.7
81.03413	1.0
81.07051	1.1
82.06580	0.4
83.08624	1.2
83.64148	0.2
84.04505	0.3
85.02891	1.5
86.06076	1.7
86.09689	0.4
87.04456	1.7
87.08109	0.9
91.05489	1.0
92.05833	0.3
93.07052	0.8
95.04963	0.5
95.08600	0.5
96.04498	0.4
96.08145	0.4
97.02893	0.7
97.06529	0.4
98.06063	0.4
98.97589	0.9
98.98483	2.5
100.11259	100.0
101.11596	0.4
103.05470	0.9
104.07104	1.1
105.07034	0.7
107.08575	0.4
108.04477	0.6
110.06029	0.3
112.07623	0.5
116.98682	0.3
117.07020	0.2
119.08601	0.4
120.08153	0.3
121.06522	0.9
122.02689	0.3
122.06044	0.3
123.04431	0.8
124.07592	0.5
125.05978	0.3
131.04912	0.9
131.08609	0.4
133.10114	0.5
139.05038	0.9
140.07079	0.3
145.04956	0.3
147.04390	2.8
149.05984	0.5
149.09639	1.1
152.07059	0.5
153.05473	0.5
155.10681	0.2
156.07713	2.4
156.22830	0.3
158.93124	0.2
162.05432	0.4
163.05940	0.3
166.05032	0.3
167.06917	0.3
169.04950	1.1
170.05357	1.8
170.12883	7.7
171.06386	1.2
175.11194	0.4
184.07181	0.9
186.08723	3.1
188.07062	0.3
190.05049	0.5
191.05315	0.6
193.12218	0.6
196.07210	2.1
205.09904	0.4
210.14969	0.5
211.13382	1.6
224.16574	0.3
237.02902	0.3
238.13124	0.3
252.16095	0.3
270.16837	1.3
288.18210	0.7
296.18454	0.3
303.04999	0.9
314.19641	8.1
332.12469	7.8
332.19696	9.7
343.86487	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	332.1817
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	0.5
55.05511	4.7
56.96578	0.5
57.03448	1.1
57.07084	0.9
61.02942	1.5
69.03427	5.0
70.04078	36.8
70.06604	1.2
70.30069	1.5
71.04999	0.6
73.02944	0.8
76.43414	0.4
81.03440	1.9
83.08620	11.4
84.08159	1.2
85.02904	14.1
85.08944	1.5
86.06053	0.7
87.04491	1.4
91.05480	0.9
91.46130	0.5
96.05621	0.7
97.02897	4.2
98.06066	0.8
98.97612	0.8
98.98435	2.4
99.04474	1.3
100.11258	33.8
101.09672	0.7
109.02882	1.3
111.04484	0.7
121.06525	2.9
123.04455	1.3
125.06004	0.7
127.03940	2.4
131.04884	0.4
133.44415	0.5
133.66681	0.5
137.06000	3.4
138.09109	0.5
139.03886	2.4
140.04233	0.5
145.04945	1.2
145.06454	0.9
152.11777	2.9
153.05453	2.3
170.12889	100.0
179.51602	0.5
185.01146	0.5
195.06522	1.5
223.07535	0.9
235.88649	0.5
249.11234	0.6
251.14441	0.5
252.15825	0.6
269.11783	0.5
297.11066	1.5
311.09433	1.4
311.59891	0.8
314.19525	0.9
315.12073	1.1
320.09970	0.9
332.09439	0.5
332.18082	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	332.1527
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96562	8.3
58.06594	4.0
58.99598	8.6
60.04529	4.2
66.18842	1.8
67.05496	5.9
69.07073	4.6
70.06599	2.6
70.76620	3.7
76.02235	15.7
79.05488	6.2
80.54773	2.2
81.07055	5.3
84.08149	2.2
86.09705	31.4
86.99046	5.1
87.05584	4.0
88.30872	1.7
91.05480	15.6
93.03425	1.7
93.07066	10.1
95.04957	3.4
95.08606	5.6
95.66070	1.6
97.02874	2.3
97.35741	1.9
98.97583	30.9
98.98473	10.4
100.11258	74.3
105.00109	8.2
105.07040	22.5
107.08607	16.9
108.89142	1.9
109.06551	1.9
109.10193	2.6
116.98620	7.4
116.99431	2.1
117.07034	3.4
117.18488	1.9
119.08587	100.0
121.06498	3.5
121.10155	6.9
122.02737	70.9
123.04429	2.5
124.07649	1.9
124.08536	1.8
131.04926	4.1
131.08572	5.6
132.10219	3.7
133.06520	2.3
133.10110	1.8
135.08057	2.2
135.11729	6.0
137.05902	3.4
137.09612	5.2
145.02850	2.4
145.10106	2.4
146.06885	2.9
147.11700	41.0
149.09631	3.5
150.05501	3.3
158.99661	8.1
159.08057	4.5
163.11139	3.8
165.12735	8.7
167.07034	9.7
173.12872	28.9
175.11209	29.7
177.00729	6.3
177.02205	2.0
177.05247	2.0
181.12263	6.4
187.07539	6.8
193.12244	44.0
193.13901	3.4
201.12357	10.3
204.07886	2.7
211.13379	2.5
219.05937	3.6
219.10225	7.4
219.13368	2.7
231.10252	2.0
268.17838	2.9
271.04941	2.8
311.09674	4.3
311.59619	2.4
314.18298	7.6
320.10236	5.3
320.60532	2.0
332.15366	2.8
332.19061	16.2
354.84814	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	332.1338
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05522	3.4
56.96567	3.2
61.02921	11.3
69.03432	21.8
69.77833	12.4
69.78248	6.6
70.06594	6.6
71.59141	3.0
72.08154	8.0
73.02901	4.5
80.17572	3.0
81.03398	4.3
84.08111	4.3
85.02908	100.0
85.58216	2.8
86.09708	23.2
87.10041	4.0
90.58341	3.0
91.03959	4.9
97.02888	22.9
98.97581	5.0
98.98466	62.7
99.04454	5.3
100.98901	3.9
103.05476	3.0
105.07070	4.1
107.04965	32.4
109.02912	5.9
112.03967	12.8
116.98644	3.2
121.06594	4.5
123.05615	5.0
124.99138	4.9
127.03930	23.9
132.10284	3.7
134.09641	5.4
135.04430	11.8
136.06203	3.7
145.04971	45.6
149.05978	6.8
153.05446	21.5
160.11237	7.1
163.03914	8.5
163.06093	6.2
167.07054	19.0
170.08122	14.4
176.98982	6.7
178.12302	14.2
180.08694	16.4
181.08580	6.3
183.10762	3.1
199.18135	4.1
211.09644	17.8
219.06554	7.5
223.12955	3.2
231.01730	3.4
249.02756	3.9
279.08279	3.6
291.03619	3.6
309.04929	7.1
314.17233	8.6
315.15396	7.4
332.13379	13.9
332.18106	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	332.1259
Annotation	Unknow
Peak:m/z	Relative Intensity
52.92983	0.5
56.96578	1.1
57.03440	0.8
66.33321	0.6
69.03431	1.6
69.72025	2.9
70.06605	1.0
72.08160	2.0
73.02929	0.7
77.20402	0.6
79.05489	0.6
84.04513	1.0
85.02900	4.5
86.09711	4.9
90.05559	0.7
91.05486	1.2
97.02911	1.5
98.20824	0.8
98.97581	0.7
98.97729	0.8
98.98468	15.8
107.04971	2.5
107.08591	0.9
109.02891	1.0
118.06558	2.2
119.07332	2.4
121.06514	2.0
123.04500	1.2
123.05516	1.3
124.99100	1.3
125.00001	16.0
127.03933	1.4
130.06554	0.7
132.95819	1.1
134.09663	24.3
135.04411	4.1
136.06209	2.1
137.05971	0.7
137.97972	0.6
138.09201	0.6
139.03940	1.6
143.00139	0.7
144.08110	5.1
145.04950	2.3
145.08873	2.6
149.05951	0.7
151.03955	0.7
153.05519	1.1
160.11224	47.1
162.09157	0.9
163.03899	2.6
167.07016	2.2
168.06398	0.6
171.06494	0.7
172.08714	0.8
174.99274	0.8
176.98973	1.2
178.12279	100.0
179.09105	0.6
180.08704	0.7
181.03252	1.3
181.08626	0.7
181.44048	0.6
182.14816	0.6
185.16487	2.3
194.38072	0.8
201.06696	0.7
211.09648	2.2
211.35136	0.6
213.16121	0.7
218.50728	0.6
219.01753	0.8
258.08911	6.7
262.98520	1.3
282.04150	0.7
291.03879	0.9
314.11804	0.9
314.17697	1.0
325.59641	0.8
332.08282	1.4
332.12537	21.9
332.18619	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.2843
Annotation	Unknow
Peak:m/z	Relative Intensity
52.94588	1.2
55.05509	13.3
57.03438	7.7
57.07078	100.0
67.05510	23.0
69.07070	20.5
70.06586	3.1
71.08635	70.9
71.56900	1.3
75.04479	2.9
79.05492	1.7
81.07061	34.4
81.19064	1.2
83.08621	29.4
83.90902	1.2
85.06535	1.4
85.10189	38.7
88.07616	3.8
89.06033	1.4
90.74146	1.2
92.89271	1.4
93.07048	2.2
93.41817	1.2
95.08612	56.6
97.10171	13.1
98.20807	3.2
98.98471	42.9
98.99130	1.7
99.08105	1.7
99.11723	2.8
100.90257	1.2
103.07590	1.6
107.08587	1.6
109.10165	30.1
111.11710	4.0
119.08633	1.6
123.11696	11.9
125.13295	3.6
137.13249	4.9
139.14796	1.6
143.56964	1.2
151.14812	3.2
174.99118	2.0
176.98947	4.3
221.22662	4.5
239.23703	26.3
257.24887	7.2
313.27386	79.5
331.07965	1.4
331.17636	1.4
331.34003	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	331.2841
Annotation	3-Palmitoyl-sn-glycerol
Peak:m/z	Relative Intensity
53.45234	1.0
55.05517	12.3
57.03443	7.0
57.07076	100.0
67.05182	1.9
67.05507	25.6
69.06728	1.7
69.07067	18.9
69.54789	7.1
71.08632	68.9
75.04468	4.3
79.05477	2.7
81.07055	36.0
83.08620	28.1
85.10184	39.7
89.06030	1.6
93.07052	1.9
95.08607	57.1
97.10175	13.3
98.98470	19.4
99.11716	2.9
103.07619	2.1
109.10155	27.7
111.11678	2.5
113.13293	1.7
120.17712	1.0
123.11719	12.6
125.13256	4.0
137.13272	7.0
139.14790	1.6
151.14764	2.6
161.33162	1.0
165.16405	2.0
176.98938	1.7
178.08612	1.4
216.40770	1.1
221.22731	1.8
239.23654	27.0
257.24731	8.2
313.27335	71.3
316.51239	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.2842
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	14.3
57.03444	7.1
57.07080	100.0
58.98940	1.4
62.95894	1.4
67.05508	29.3
69.07076	16.8
70.03531	7.0
71.08636	73.6
75.04466	4.6
78.48047	1.6
81.06591	2.3
81.07063	40.0
83.08160	1.7
83.08619	26.1
85.06534	2.0
85.10190	35.8
91.32139	1.4
93.07086	2.4
95.08614	60.2
97.10179	16.8
97.55394	1.6
98.98470	90.0
100.98867	3.1
103.07575	1.6
109.10156	26.8
109.87035	1.6
111.11702	3.3
119.08529	2.0
121.10116	2.0
123.11711	12.8
123.73844	1.5
125.13252	2.5
137.13242	6.9
151.14798	2.9
174.99191	4.7
176.98924	10.3
178.08617	4.9
214.73894	1.6
221.22740	3.7
239.23711	27.9
257.24738	7.2
313.27362	85.3
316.05771	1.7
331.07855	1.9
331.17365	2.9
331.33942	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	331.2842
Annotation	3-Palmitoyl-sn-glycerol
Peak:m/z	Relative Intensity
53.03928	1.1
55.05518	14.2
57.03440	8.0
57.07079	100.0
60.70565	1.2
67.05509	24.6
69.07072	14.0
69.91692	2.5
69.92088	2.4
71.08635	69.2
75.04485	3.3
79.05489	1.7
81.06590	1.8
81.07062	31.1
83.08156	1.7
83.08624	27.4
85.06534	1.8
85.10188	42.8
89.06027	2.2
94.32703	1.0
95.08613	54.0
97.10172	12.8
98.98464	13.2
99.11712	3.2
103.07549	1.1
109.10155	24.1
111.11709	4.9
113.13300	1.9
117.43269	1.1
123.11710	13.9
123.60714	1.1
125.13237	3.4
137.13248	6.9
139.14781	1.8
151.14781	3.3
165.16429	1.4
176.99101	1.3
179.08917	1.1
221.22670	3.4
239.23698	31.3
257.24799	7.2
269.68137	1.1
313.27377	79.9
331.18826	1.4
331.34082	7.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.2267
Annotation	16alpha-Hydroxyprogesterone
Peak:m/z	Relative Intensity
53.03942	1.3
54.40915	0.5
55.01875	1.4
55.05505	1.7
56.61104	0.6
56.96559	0.9
57.03429	0.5
57.80619	0.5
67.05507	5.2
69.03416	1.8
69.07050	1.9
69.18900	5.7
71.04980	1.9
77.16047	0.8
79.05500	6.3
81.03397	1.4
81.07057	23.9
83.04970	1.4
85.06544	5.9
91.05492	5.1
93.07056	5.7
94.20411	0.5
95.04971	2.3
95.08615	10.8
97.06525	2.1
97.10186	0.7
98.21473	1.1
98.98471	61.6
100.98878	1.5
105.07037	7.3
107.04963	3.8
107.08601	7.5
109.06509	1.2
109.10154	5.2
116.99510	1.1
117.07021	2.8
119.08574	6.4
121.06508	2.8
121.10156	3.4
123.08067	1.4
123.11635	0.6
123.13759	0.5
125.05972	1.4
129.07019	2.3
130.07793	0.6
131.04916	0.9
131.08588	5.2
133.06464	1.5
133.10155	5.6
135.08083	2.1
135.11713	2.7
137.09625	2.5
139.03860	0.9
141.06967	0.8
142.07819	1.0
143.08571	3.6
145.06502	1.0
145.10114	5.8
147.08070	1.2
147.11705	4.2
149.05927	0.7
149.09596	2.7
151.11208	1.1
155.08603	3.0
156.09302	0.8
157.10130	7.4
159.08022	1.3
159.11700	10.1
161.09616	3.4
161.13254	2.4
163.11176	1.9
169.10156	2.6
171.08058	0.7
171.11708	3.6
173.09608	1.6
173.13258	2.5
174.99219	3.7
175.11203	8.3
175.14912	0.7
176.98930	7.0
177.12755	1.6
179.08908	0.8
181.10112	0.9
183.11736	2.8
185.09634	0.8
185.13234	2.6
187.11191	1.3
187.14821	0.6
189.12744	2.3
191.14316	1.1
195.11658	1.2
197.13248	3.4
199.11168	1.6
199.14755	1.1
201.12807	2.7
201.16360	0.7
203.14456	0.7
205.12224	1.1
209.13318	1.0
211.11281	0.5
211.14799	3.0
212.15520	0.5
213.12779	0.8
213.16403	2.0
215.14308	2.4
221.09932	0.6
221.13319	1.0
225.12753	0.9
225.16356	1.4
227.30269	0.6
229.07423	0.8
229.16032	0.9
233.15334	0.7
235.14799	1.0
235.81346	0.6
237.16406	1.9
239.14221	1.1
241.19423	0.6
251.17838	0.7
252.99683	1.6
253.15887	1.0
253.16751	0.9
253.19516	8.4
254.99623	0.7
255.17432	2.5
267.21085	1.3
269.18979	0.8
271.17410	1.1
271.20569	16.2
277.19513	1.8
285.22040	0.9
289.21634	2.0
295.17279	1.2
295.20523	7.3
313.18173	1.1
313.21613	13.5
331.08087	1.6
331.22668	100.0
332.23041	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.2268
Annotation	Methyl 15-hydroxydehydroabietate
Peak:m/z	Relative Intensity
53.03928	1.0
55.01863	1.5
55.05506	4.0
56.96560	2.8
57.03428	1.8
57.07065	0.9
67.05508	9.4
68.84200	0.9
69.03416	1.5
69.07079	4.1
69.61427	0.7
71.05010	1.7
71.52702	1.3
71.75063	0.7
79.05493	11.3
81.03419	1.1
81.07056	15.4
81.20446	0.8
83.04966	2.0
83.08612	2.3
85.02873	1.0
91.05489	12.1
93.07053	16.7
95.04977	3.7
95.08619	16.3
97.02882	1.1
97.06526	2.5
97.10154	1.4
98.98470	100.0
100.98895	1.7
103.05440	1.3
105.07036	18.4
107.04955	1.5
107.08595	13.2
109.06530	3.0
109.10155	10.0
111.08101	0.9
116.99500	1.5
117.07014	8.7
119.08591	13.2
121.06516	2.2
121.10153	11.4
123.04422	1.0
123.08060	1.9
123.11731	2.7
127.03876	1.6
128.06224	1.5
129.07021	5.6
130.07747	0.9
131.04922	1.8
131.08582	12.0
133.06514	1.9
133.10156	6.8
135.08069	2.4
135.11691	5.5
137.05994	2.8
137.09579	1.5
139.03874	1.2
140.01064	1.4
141.06979	2.4
142.07817	1.0
143.08551	7.4
145.06497	2.8
145.10126	15.0
147.08069	1.7
147.11703	9.6
149.09636	2.8
149.13284	2.5
151.07561	1.8
153.07034	0.9
155.08578	4.9
156.09291	1.2
157.10150	9.1
159.08081	2.2
159.11688	10.3
161.09583	2.2
161.13286	4.8
163.11195	9.8
163.14809	1.0
164.08315	1.2
165.05510	0.8
167.08521	1.2
169.10170	4.6
169.12270	1.1
171.08057	1.1
171.11700	9.0
173.09608	1.0
173.13254	7.5
174.99266	5.4
175.11197	2.2
176.98949	9.6
178.08673	1.1
179.08888	2.3
181.10075	1.9
183.08090	0.8
183.11694	6.0
185.13249	4.0
187.14838	2.3
189.12787	3.7
189.16422	1.1
195.11691	1.8
197.01247	1.0
197.09613	0.9
197.13263	12.6
198.14098	1.0
199.14853	3.4
201.16336	1.3
211.14824	6.7
213.16354	3.5
215.14369	2.3
215.17947	1.3
217.15823	1.2
221.13239	1.6
225.16321	4.0
233.15350	1.2
237.12617	1.2
239.14368	2.1
241.19516	1.4
243.21111	2.9
252.99634	2.0
253.19530	50.6
263.17889	0.9
271.17465	2.6
271.20566	49.5
281.18857	4.8
285.18436	1.4
289.09412	1.0
295.16821	2.0
296.17722	1.4
299.16525	1.4
299.20026	5.0
313.17853	3.8
313.21616	16.8
314.18588	3.8
316.05673	1.3
331.04556	1.1
331.08124	2.0
331.11942	6.3
331.15060	0.7
331.15945	0.8
331.18954	17.1
331.22702	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	331.2245
Annotation	Deoxycorticosterone
Peak:m/z	Relative Intensity
54.30493	0.4
66.92432	0.3
69.23948	2.9
93.34348	0.4
98.20714	0.7
98.98475	10.9
118.31464	0.4
119.08614	0.4
151.07538	0.5
174.99165	0.5
176.98990	1.0
178.08649	1.4
179.08983	0.9
331.22461	100.0
332.22723	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1906
Annotation	Citlalitrione
Peak:m/z	Relative Intensity
53.03936	0.7
55.01869	0.7
55.05493	1.0
56.96571	0.8
60.10891	0.4
61.02928	0.5
67.05508	2.4
69.03424	0.6
69.07066	1.3
71.04988	0.4
79.05500	3.9
81.03435	1.8
81.07066	3.7
83.04985	0.4
83.08605	0.4
84.01614	0.4
91.05486	6.9
93.07051	5.6
95.04961	3.1
95.08615	3.2
97.02904	1.1
97.06524	1.1
97.10194	0.4
98.97601	2.0
98.98473	21.3
100.98925	0.5
105.03341	0.4
105.07035	6.2
107.04957	1.0
107.08620	3.5
108.08903	0.4
109.06540	1.4
109.10156	1.3
115.05430	0.7
116.98641	0.5
117.07021	3.1
119.04959	2.9
119.08582	3.6
121.02841	0.8
121.06513	3.1
121.10148	1.6
123.04438	8.6
123.08019	0.6
128.06236	0.5
129.07004	2.5
131.00143	0.5
131.04919	1.3
131.08568	10.8
133.06517	2.1
133.10120	2.1
135.04431	0.8
135.08034	2.3
135.11681	0.9
137.05989	15.2
141.06967	0.4
143.08565	4.0
145.06477	3.0
145.10118	6.7
147.04393	3.2
147.08064	1.0
147.11673	1.6
149.06010	1.0
149.09665	0.7
151.07533	1.3
155.08565	3.5
157.06497	0.5
157.10162	3.3
158.99658	0.6
159.08072	2.1
159.11714	3.5
161.05981	2.7
161.09645	0.7
161.13277	0.8
163.07558	1.7
165.06990	0.5
167.08582	1.0
169.06535	0.8
169.10153	3.8
171.08020	2.1
171.11722	3.2
172.12355	0.4
173.06081	0.5
173.09628	1.1
173.13264	1.4
174.99257	1.0
175.07593	0.6
175.11172	0.7
176.98967	2.2
177.00496	0.4
179.08638	0.6
181.06520	0.6
181.10110	1.5
183.08076	1.6
183.11690	1.7
185.09636	2.0
185.13246	0.6
187.07607	0.7
189.09140	0.7
189.12756	0.8
192.09343	0.8
193.10176	1.5
195.08061	2.1
195.11717	1.4
197.09680	2.6
197.11285	0.4
197.13252	2.3
199.07587	0.6
199.11250	1.1
199.14835	0.5
201.00677	0.5
201.09093	2.2
201.12831	0.4
204.09364	0.4
205.10002	0.5
206.10962	1.3
207.08112	0.8
207.11682	1.2
209.09622	1.6
209.13300	0.5
211.11237	1.0
211.14873	1.3
213.00400	0.5
213.09113	2.9
213.12703	0.5
215.10762	1.2
220.08809	0.9
221.09651	2.0
221.13235	2.3
223.11217	0.9
225.09225	0.6
225.12724	2.4
225.16365	0.7
227.10649	0.5
231.11798	0.5
234.10394	1.3
235.11243	2.9
235.14787	0.6
237.12752	2.2
239.10640	2.1
239.14345	1.4
248.11960	0.4
249.12816	6.0
249.15488	0.5
249.16516	0.7
250.09651	3.7
250.59633	0.6
251.14310	1.1
253.12315	1.2
253.15881	2.8
253.19534	5.4
255.13779	0.5
259.14911	0.7
262.13510	0.8
265.15759	0.5
267.13852	3.2
267.17303	1.1
271.17072	1.0
271.20587	5.7
277.15906	6.0
281.18954	1.1
283.17120	0.7
295.16907	7.1
299.20013	0.6
300.14114	1.2
313.17963	5.4
313.21338	0.5
331.12201	4.7
331.19046	100.0
331.62387	0.6
332.11984	0.6
332.19437	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1905
Annotation	Citlalitrione
Peak:m/z	Relative Intensity
53.03934	1.4
55.01861	2.3
55.05513	3.9
56.96553	2.4
57.03415	2.9
57.07066	1.1
64.10375	0.6
65.03934	1.5
67.05501	9.8
69.03405	2.3
69.07079	3.3
69.22181	5.1
69.22588	1.6
71.05000	0.9
79.05066	0.9
79.05493	12.3
81.03402	1.2
81.07058	14.5
83.04964	3.1
83.08594	1.1
85.02883	1.0
85.06514	0.7
91.05482	26.2
93.06506	1.1
93.07045	18.2
95.04974	3.5
95.08067	0.9
95.08604	13.0
95.61691	0.7
97.02914	3.7
97.06521	3.7
98.21533	1.4
98.97624	2.3
98.98468	79.3
100.11205	1.6
100.98871	1.6
103.05457	0.8
105.05505	0.8
105.07037	22.7
107.04961	3.5
107.08593	12.4
109.02871	2.0
109.06497	4.0
109.10170	6.1
110.06028	1.7
111.04418	1.9
111.08026	1.4
115.05460	3.3
116.98610	1.6
116.99454	1.8
117.03342	1.3
117.07019	24.8
119.04939	1.6
119.08581	23.0
121.06487	5.9
121.10151	5.7
123.04396	1.6
123.08031	2.3
126.74185	0.7
127.03893	0.9
128.06195	3.2
129.07004	13.5
131.04893	2.4
131.08563	19.7
133.06445	2.6
133.10127	12.4
135.08040	6.7
135.11668	2.5
137.05975	9.2
137.09608	1.9
139.03920	1.4
141.07005	5.7
142.07745	2.8
143.08563	19.0
144.09302	1.5
145.02827	1.5
145.06467	6.2
145.09088	1.0
145.10138	13.0
147.04378	1.8
147.08044	6.3
147.11690	6.4
149.05951	2.6
149.09641	3.7
149.13208	0.7
151.03889	0.8
151.07550	6.9
153.06982	1.7
154.07693	1.7
155.08569	9.7
156.09340	1.1
157.06424	2.5
157.10133	17.4
158.10893	0.8
158.99620	0.8
159.08112	3.6
159.11694	17.4
161.05968	3.9
161.09598	2.9
161.13283	4.8
163.03836	2.1
163.07564	5.0
163.11134	0.9
165.06960	3.0
165.09074	0.9
167.07301	0.7
167.08554	5.0
168.09341	0.8
169.06355	0.8
169.10127	12.2
170.10857	1.4
171.08092	1.7
171.11690	11.1
173.09579	1.7
173.13283	4.3
174.99242	4.5
175.07527	0.9
175.11124	2.4
175.14761	0.8
176.98938	8.5
177.00513	1.4
177.05446	2.2
177.09032	2.1
178.07719	0.9
179.08572	4.2
181.10095	7.4
182.10768	1.2
183.08023	1.9
183.11688	6.7
185.09546	2.6
185.13200	2.7
187.07533	1.1
187.11121	3.5
187.14728	1.1
189.05342	0.8
189.09065	2.7
189.16371	6.5
190.04964	2.9
191.06949	1.0
192.09312	1.4
193.10155	4.8
195.08055	2.1
195.11671	5.3
197.05907	0.7
197.09560	2.8
197.13248	8.5
199.07562	1.0
199.11137	1.2
199.14819	20.7
201.09065	1.4
201.12546	1.3
203.10677	1.7
203.14256	1.0
206.10883	0.9
207.07968	0.8
207.09837	1.5
207.11632	5.2
209.13312	4.7
210.06708	1.0
211.07555	1.3
211.11192	1.9
211.14838	3.4
213.09146	1.1
213.12640	1.0
213.16414	1.2
215.10703	1.6
215.14302	1.3
217.15865	8.6
219.11649	2.4
220.12401	1.3
221.09583	2.4
221.13255	7.9
223.10982	0.8
223.14777	3.1
225.09064	1.9
225.12708	2.5
225.16350	5.1
227.10611	1.4
227.96780	0.8
229.15768	1.9
231.11754	1.1
233.13205	0.8
235.11113	2.6
235.14751	2.3
235.16873	1.6
237.12776	3.4
239.10562	1.2
239.14261	5.9
239.17867	3.3
243.13768	1.2
249.12730	4.4
249.16356	7.0
251.14375	1.0
251.18121	1.0
252.99658	1.1
253.12213	2.2
253.15712	1.6
253.19510	6.1
254.99251	1.0
255.10202	1.4
255.13747	3.7
257.04388	3.8
257.15308	2.3
259.14697	1.9
267.13800	5.4
267.17380	11.8
271.09564	0.9
271.17468	0.7
271.20569	15.2
277.15857	9.0
283.16687	2.4
285.11331	1.2
285.18356	3.2
287.12683	3.0
295.16946	24.2
299.20041	0.8
313.17966	38.6
313.21347	1.6
331.08307	2.3
331.11703	5.4
331.18954	100.0
331.22232	6.2
332.19150	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1905
Annotation	Tricalysiolide E
Peak:m/z	Relative Intensity
51.61895	1.3
53.03930	2.7
55.01855	3.4
55.05482	5.2
56.96554	2.3
59.93205	1.3
63.00788	1.3
67.05507	9.2
69.03425	2.1
69.07023	4.6
71.04983	1.4
71.08569	1.9
71.52789	1.8
79.05506	16.2
81.03404	2.8
81.07069	14.7
83.04939	2.9
83.08569	1.7
91.05490	15.4
93.07055	23.6
95.04939	6.2
95.08615	18.4
97.06480	6.1
98.98472	100.0
100.98862	2.4
103.05414	3.3
105.07052	15.5
107.04969	10.5
107.08595	16.4
109.02811	1.6
109.06506	7.4
109.10155	13.0
111.08038	2.8
115.05398	1.6
116.98553	1.9
117.06956	6.5
119.04878	5.0
119.08601	13.7
121.06522	17.9
121.10160	7.0
123.04382	2.2
123.07986	3.9
123.11634	3.8
125.05940	1.3
125.09566	1.7
127.03857	3.0
128.06172	3.2
128.73375	1.2
129.06934	5.9
130.07735	2.0
131.04938	69.2
131.08585	10.1
133.06483	8.1
133.10057	6.1
135.04364	2.0
135.07994	4.6
135.11600	4.6
137.05923	5.0
137.09515	1.7
139.03905	9.6
141.06929	2.6
142.32478	1.5
143.08583	9.2
145.06493	45.9
145.10153	9.3
147.04419	10.4
147.08052	10.6
147.11662	1.9
149.06018	9.0
149.09525	3.3
149.13260	2.0
151.07494	2.5
153.07013	2.1
155.08521	6.8
155.62247	1.6
156.09349	1.9
157.06528	15.2
157.10019	5.6
159.08102	10.2
159.11574	4.7
161.05893	3.1
161.09535	3.9
163.07411	3.9
163.11122	2.0
165.06880	3.3
167.08508	2.5
168.09261	1.6
169.06374	5.0
169.10042	6.3
170.07207	2.3
171.04274	1.5
171.08070	14.8
171.11655	3.1
173.05852	4.3
173.09598	8.4
173.13153	2.8
174.99123	3.4
175.07443	2.3
176.98930	9.5
177.05388	2.2
179.08566	2.3
181.06367	4.5
181.10010	3.6
183.08092	11.2
183.11650	4.5
185.05922	2.1
185.09523	5.9
185.13210	2.0
187.07492	3.3
187.11084	2.0
187.14763	1.4
189.08965	4.3
193.10068	1.9
194.10773	1.7
195.07956	6.4
195.11581	1.7
197.09595	15.1
197.13208	2.3
199.07460	2.8
199.11145	3.0
199.14775	3.1
201.09039	2.7
201.12671	1.7
203.03310	2.5
206.10770	1.7
209.09499	2.1
209.13104	2.4
211.11267	8.6
211.14639	1.9
213.09018	2.5
213.12662	2.2
215.10452	4.2
219.01688	2.2
221.09477	5.3
221.13049	1.6
223.11230	2.1
223.14787	2.3
225.12544	3.6
225.16202	2.2
227.14214	3.6
229.04860	7.5
235.11066	3.3
237.12756	12.0
239.10490	2.3
239.14075	1.9
240.77827	1.5
249.12657	2.6
249.16315	3.0
251.14325	10.3
253.15645	6.5
255.13800	3.7
257.04483	58.6
267.13791	2.7
267.17172	7.5
269.15244	4.4
271.16959	14.0
277.15924	14.5
285.12192	1.5
285.18222	5.0
295.16882	23.3
313.17996	79.7
331.08072	3.3
331.11444	23.4
331.18774	62.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1904
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.9
55.05520	3.2
56.96553	3.0
57.13649	1.8
67.05510	12.3
69.03407	4.2
69.07051	4.6
69.52256	9.3
79.05495	19.4
80.06275	1.9
81.03059	1.6
81.03424	17.2
81.07060	14.6
83.04971	3.5
85.02868	2.6
91.05483	24.6
93.07053	23.6
95.05000	10.9
95.08598	9.9
97.02876	4.6
97.06516	8.3
98.21524	2.1
98.25137	1.6
98.97608	16.5
98.98471	100.0
100.98933	2.3
105.07030	24.3
106.68889	1.5
107.04963	4.3
107.08602	11.2
109.06495	6.8
109.10155	4.3
111.04438	1.8
115.05426	2.2
116.98647	3.9
117.07008	24.6
118.07813	2.6
119.08590	21.5
121.06533	12.3
121.10129	6.4
123.04362	2.4
124.08787	2.0
125.09621	1.9
128.06232	4.3
129.06996	13.3
130.07780	2.7
131.04878	6.4
131.08578	26.5
133.06459	5.0
133.10130	7.0
135.08090	9.3
135.11694	4.0
136.05142	2.0
136.08804	3.5
137.06035	3.0
139.07568	2.5
141.06973	11.6
142.07727	2.7
143.08559	18.8
144.09329	4.1
145.02834	3.4
145.06483	5.5
145.10118	19.5
147.08041	10.0
147.11681	6.7
148.08867	12.0
149.05939	4.8
149.09592	5.3
150.06767	4.2
151.07521	4.0
153.06984	2.7
154.07793	2.2
155.08572	16.2
156.09334	4.7
157.10123	22.1
158.02739	2.0
158.10873	4.2
158.99666	10.1
159.08052	3.9
159.11693	17.3
160.08925	1.9
161.05992	2.8
161.09605	5.5
161.13272	2.8
163.07532	6.0
163.11241	3.1
164.08383	3.3
165.06943	4.2
166.07805	1.8
167.08527	8.4
168.09348	2.1
169.10132	15.8
170.10863	2.5
171.08014	3.4
171.11674	10.4
173.09616	3.9
173.13239	5.1
174.99231	3.7
175.11171	3.3
176.11885	2.1
176.98943	7.6
177.00565	2.9
177.05434	5.2
177.09067	2.3
179.08527	8.1
180.09341	2.8
181.10118	12.7
182.10889	2.7
183.08115	4.0
183.11716	11.7
185.09630	2.6
185.13235	7.7
186.13916	1.8
187.11211	5.0
187.14804	7.3
191.14452	2.0
193.10121	5.0
194.10826	2.2
195.11719	12.7
197.09647	2.1
197.13287	10.9
199.11212	2.2
199.14799	5.9
200.15508	5.2
201.16209	1.8
203.14296	2.2
206.10945	2.6
207.11696	5.7
209.13239	9.3
210.14021	2.3
211.11172	2.9
211.14815	7.2
213.12869	2.0
213.16373	3.2
214.13422	3.4
215.14328	4.2
217.15857	2.2
219.01744	4.4
219.11684	2.2
220.14609	3.6
221.13210	12.8
223.11133	3.1
223.14757	9.2
224.15524	2.2
225.12694	2.7
225.16281	3.7
227.14265	3.7
229.15906	2.2
235.14786	2.6
237.12633	2.3
237.16389	5.2
238.13556	3.2
239.14270	6.9
239.17761	3.0
240.15196	2.7
241.15987	3.4
249.12715	1.9
249.16573	2.1
251.14317	5.2
251.17909	4.9
252.15085	2.1
253.15819	6.2
255.13716	6.0
255.17450	2.2
257.15436	4.6
267.17444	7.4
268.18137	8.5
268.67621	1.8
269.19040	3.6
271.16898	2.5
278.16986	2.1
279.17432	53.8
281.15326	3.3
285.18451	5.4
286.19211	7.1
295.16946	3.6
296.17673	19.9
297.18488	58.9
298.19220	4.7
298.64035	3.3
299.16425	3.5
313.17914	8.0
314.18735	17.7
331.11896	7.8
331.18951	57.9
331.22281	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	331.1904
Annotation	methyl gibberellin A9
Peak:m/z	Relative Intensity
53.03951	1.5
55.01860	2.2
56.96544	1.7
57.03423	2.8
65.81182	1.1
67.05510	7.4
67.20085	1.3
69.07075	2.0
70.69257	2.9
79.05499	12.3
81.03431	1.4
81.07059	8.8
83.04974	2.9
83.08634	1.4
91.05485	22.9
92.06248	1.5
93.07053	19.7
94.07818	2.8
95.04970	4.3
95.08596	8.2
97.02879	2.0
97.06501	5.7
98.97541	1.6
98.98470	35.1
100.98872	1.6
104.06270	2.0
105.07031	17.9
106.07818	3.4
107.04949	2.9
107.08611	10.6
108.05740	1.5
109.06508	4.9
109.10148	4.1
111.17300	1.4
115.05436	1.9
117.07017	15.8
118.07803	2.8
119.08578	26.5
120.05685	1.4
120.09371	4.0
121.06506	8.4
121.10131	9.0
122.07276	2.2
123.08065	3.3
124.08865	2.2
128.06215	2.3
129.07001	10.0
130.07776	3.7
131.08569	16.6
132.09323	1.5
133.06476	1.9
133.10129	6.7
134.07301	1.3
134.10951	1.5
135.08090	3.2
135.11674	1.9
136.05194	1.5
136.08826	2.7
137.05962	1.6
141.06999	4.8
142.07765	3.4
143.08563	14.0
144.09377	2.6
145.06494	2.3
145.10118	10.4
147.08040	4.0
147.11687	4.3
148.08832	4.1
149.06017	2.4
149.09615	7.7
149.13194	1.3
151.07570	1.8
155.08539	10.4
156.09377	2.8
157.06429	1.9
157.10147	19.5
157.11377	2.4
158.10876	2.8
159.08058	3.2
159.11697	11.4
161.09599	3.1
161.13231	3.5
162.10374	2.6
163.07527	2.3
164.08319	6.5
165.07019	2.6
165.09148	2.3
167.08545	4.6
169.10117	9.8
170.10936	4.0
171.08018	2.7
171.11723	6.8
173.09598	4.3
173.13228	2.1
174.10252	1.3
174.99142	1.9
175.11209	3.6
176.08412	1.4
176.11871	1.6
176.98933	2.5
179.08572	3.4
180.06564	2.2
180.09433	1.4
181.10110	7.1
182.10884	1.9
183.08051	2.0
183.11729	8.5
185.09712	2.4
185.13240	3.7
186.14020	2.5
187.11241	2.8
187.14867	2.0
189.16313	2.3
190.13541	1.4
191.07040	3.6
192.09293	1.6
193.10095	1.5
195.08022	2.0
195.11665	7.2
196.12485	1.6
197.09656	2.8
197.13264	11.4
198.13991	1.9
199.11195	1.9
199.14812	13.5
201.12762	1.9
204.15033	1.6
205.10074	2.2
206.10889	1.5
207.11630	4.6
209.13251	3.8
211.11151	2.8
211.14796	4.9
213.12727	2.3
213.16283	1.4
214.13527	2.4
215.14337	3.7
216.15106	5.2
217.15822	3.8
219.11707	2.0
221.09598	1.6
221.13251	6.8
223.14830	2.4
225.12761	5.2
225.16367	3.0
226.13483	1.2
227.14313	2.7
229.15891	1.9
230.16631	2.1
235.14851	2.1
237.12738	2.1
237.16374	1.9
238.13499	1.8
239.14403	6.1
240.15106	2.0
241.15996	2.6
249.16345	2.4
250.17079	2.3
253.15912	10.4
254.16618	2.4
255.13574	2.0
255.17601	1.4
257.15332	3.2
267.17551	6.4
268.18201	6.0
270.16144	1.4
271.16928	12.8
271.19623	1.8
279.17444	2.8
281.15436	2.2
285.18246	1.6
286.19235	6.8
296.17657	11.5
297.18546	2.0
299.16422	21.8
303.19452	2.7
313.17953	2.6
314.18738	37.1
331.12411	4.4
331.19028	100.0
332.19406	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1906
Annotation	Methyl gibberellin A9
Peak:m/z	Relative Intensity
53.03936	0.8
55.01862	2.0
55.05513	2.0
56.96552	1.6
57.03431	1.9
61.02904	0.7
65.03938	0.7
67.05502	7.4
69.03426	1.4
69.07059	2.7
69.88189	3.0
71.04993	1.5
77.03925	0.7
77.52291	0.5
78.04730	0.7
79.05497	16.5
80.06261	0.6
81.03422	2.8
81.07058	10.8
83.04987	3.3
91.05482	22.5
92.06266	1.4
93.07047	19.8
94.07845	2.9
95.04967	4.7
95.08604	9.3
96.05761	0.7
97.02885	2.2
97.06546	5.7
98.98468	60.6
99.04465	0.9
100.98888	1.0
103.05483	1.2
104.06236	2.1
105.03368	1.1
105.07037	19.4
106.07838	2.8
107.04970	3.5
107.08599	11.4
108.05705	1.7
108.09373	1.3
109.06516	5.3
109.10167	3.5
110.07258	1.4
111.04433	1.3
111.08059	1.0
113.06013	0.6
115.05460	2.6
116.99487	1.0
117.06242	0.9
117.07024	14.8
118.07825	4.1
119.04971	1.3
119.08583	26.6
120.05751	1.2
120.09377	5.5
121.06510	7.5
121.10156	9.0
122.07288	4.2
123.04449	0.9
123.08079	5.3
123.11720	0.7
124.08850	3.2
125.06003	0.7
128.06197	2.5
128.98506	0.6
129.07002	10.8
130.07780	2.3
131.04918	2.5
131.08566	19.5
132.05664	0.9
132.09354	1.9
133.06480	3.0
133.10143	8.5
134.10869	1.4
135.04404	1.1
135.08063	4.7
135.11690	2.5
136.08829	3.8
137.05966	2.6
137.09613	2.0
139.07571	1.2
141.06998	6.6
142.07776	4.0
143.08562	16.6
144.09402	3.3
145.06499	3.7
145.09053	1.0
145.10121	12.5
146.07297	1.1
146.10886	0.9
147.04434	1.1
147.08049	7.0
147.11702	4.7
148.05176	0.9
148.08836	4.8
149.06033	3.5
149.09610	8.3
150.10356	1.0
151.07532	2.7
151.11142	1.1
153.07033	1.5
153.09077	0.7
154.07848	1.4
154.09839	0.8
155.08554	11.2
156.09328	3.7
157.06476	1.7
157.10133	20.8
158.10916	3.5
159.08022	3.9
159.11691	12.0
160.08826	1.3
160.12479	1.6
161.05948	1.4
161.09636	5.2
161.13280	4.1
162.10402	2.2
163.03976	0.8
163.07545	2.7
163.11159	1.6
164.08354	7.3
165.06999	2.7
165.09148	3.6
166.07719	1.1
167.08542	4.1
168.09351	2.3
169.10135	9.5
170.10887	2.2
171.08044	4.0
171.11685	9.1
172.08809	0.9
172.12512	1.9
173.09590	3.7
173.13281	4.2
174.10435	0.9
174.99216	4.1
175.03897	0.7
175.07594	0.9
175.11240	2.0
176.08270	1.4
176.98930	7.0
177.05508	0.7
177.09091	1.6
178.09990	0.7
179.08537	3.6
180.06519	1.4
180.09351	1.5
181.06543	1.8
181.10109	8.2
182.10890	2.1
183.08086	1.6
183.11702	9.3
184.08905	0.9
184.12430	1.2
185.09641	2.4
185.13258	4.4
186.10368	1.1
186.14029	1.4
187.11218	3.6
187.14850	3.0
188.11899	1.0
189.09157	1.0
189.12787	1.4
189.16389	2.1
190.13521	1.3
191.07010	6.6
191.08536	1.1
192.09286	1.1
193.01689	0.6
193.10199	4.3
194.11049	0.8
195.11679	7.1
196.12422	2.0
197.09627	3.4
197.13251	11.0
198.10341	0.7
198.14049	1.8
199.11224	3.7
199.12912	1.0
199.14821	14.0
200.15523	1.1
201.09109	0.8
201.12711	1.9
203.14293	0.8
204.11491	0.6
204.15033	0.9
205.10133	1.4
206.10965	0.8
207.11739	3.8
208.06013	0.7
208.12473	0.9
209.13280	4.2
211.07607	1.0
211.11185	4.5
211.14780	4.8
212.11948	1.3
212.15593	1.9
213.09332	0.8
213.12724	3.7
213.16364	1.5
214.13474	1.4
215.07164	0.6
215.10770	1.2
215.14359	5.6
216.15083	4.6
217.15871	5.1
219.11678	2.1
220.12451	1.2
221.09770	1.0
221.13260	7.5
222.13857	0.9
223.11273	1.0
223.14742	3.3
225.12732	5.0
225.16315	2.4
226.13541	1.2
226.17242	0.7
227.14297	2.6
229.15909	2.4
230.16602	0.8
233.13275	1.0
235.14825	2.0
237.12871	3.2
237.16399	1.6
238.13548	0.8
239.10858	0.8
239.14310	6.2
239.17950	1.1
240.15054	1.2
241.12238	1.3
241.15880	1.9
241.19559	0.7
242.16571	0.9
243.13817	1.0
243.17577	1.1
244.14464	0.8
249.16393	1.8
250.17268	1.4
251.14354	1.1
251.17975	0.9
252.15015	0.7
252.99716	1.3
253.15880	12.4
254.16820	3.2
255.13797	1.8
255.17474	2.5
257.15356	4.6
257.18860	0.7
258.16199	1.4
258.19791	1.0
261.16125	0.6
263.14285	0.9
267.14145	0.7
267.17441	4.4
268.18204	4.3
270.16119	1.7
270.19171	0.6
271.09952	0.7
271.16919	13.8
272.17700	1.4
277.15933	1.0
278.16647	1.9
279.17426	4.1
280.73514	0.7
281.15323	2.7
285.15073	1.2
285.18494	3.3
286.16000	1.0
286.19177	6.4
295.16812	2.8
296.17694	9.6
297.18433	3.6
299.13724	0.7
299.16418	19.8
303.19595	1.3
313.17981	3.6
313.21542	1.1
314.18756	36.3
331.12137	6.8
331.19025	100.0
332.19467	2.3
339.07468	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1904
Annotation	Tricalysiolide E
Peak:m/z	Relative Intensity
51.39540	1.5
53.03924	2.1
55.01858	4.4
55.05497	4.9
56.96542	2.1
57.03421	1.8
57.42302	1.4
65.03928	1.6
67.05503	11.4
69.03416	2.7
69.07050	5.9
69.99229	5.9
79.05492	17.3
81.03404	4.3
81.07057	16.7
83.04969	2.6
83.08614	1.7
84.54608	1.4
85.02901	2.3
85.06522	2.0
90.03436	1.4
91.05478	18.4
93.07047	25.2
95.04974	10.0
95.08607	16.5
97.02873	1.8
97.06522	3.7
98.97618	8.9
98.98464	67.8
100.11253	2.0
100.98933	1.8
103.05455	4.1
105.04465	1.3
105.07034	17.1
107.04966	13.1
107.08586	19.5
108.64783	1.3
109.02848	2.3
109.06512	9.9
109.10155	11.7
111.08076	2.4
115.05415	3.6
116.98631	1.4
117.07011	7.6
119.04916	3.1
119.08582	17.0
121.06506	23.2
121.10159	9.8
122.05985	2.4
123.04415	6.3
123.08058	4.2
123.11773	1.6
125.09602	2.3
128.06180	3.5
129.06993	8.2
131.04926	72.6
131.08569	11.8
133.06471	13.3
133.10139	7.7
135.04387	3.1
135.08060	6.6
135.11664	4.7
137.05966	5.4
137.09651	2.0
139.03906	5.5
140.07036	4.9
141.07010	3.8
142.07799	3.0
143.08554	11.6
144.05704	1.4
145.06488	50.9
145.10115	10.6
146.05937	1.4
147.04401	10.6
147.08044	15.0
147.11682	2.8
149.05988	7.0
149.09627	3.4
151.03859	3.6
151.07509	2.7
152.75809	1.3
155.08549	7.4
157.06453	12.6
157.10118	7.8
158.07294	1.8
158.99631	1.9
159.08052	13.2
159.11661	6.7
161.05998	3.7
161.09644	4.1
163.03864	6.5
163.07552	4.7
163.11195	3.1
165.07010	2.6
166.07796	2.0
167.07072	2.9
167.08531	3.7
169.06471	4.7
169.10141	6.6
171.08041	17.1
171.11662	5.6
172.03880	3.3
173.05959	4.5
173.09653	10.9
173.13278	2.7
174.99193	4.5
175.07588	2.3
175.11336	1.4
176.98952	8.8
177.00374	1.6
179.03413	3.0
179.07069	1.9
179.08667	4.5
181.06461	1.9
181.10094	4.4
183.06770	1.2
183.08098	9.7
183.11716	3.9
185.05939	1.8
185.09639	6.2
185.13304	1.9
187.07509	5.1
187.11255	3.8
189.09068	3.5
190.04987	16.3
192.09343	1.6
193.10117	4.6
195.08034	5.9
195.11702	4.5
197.09607	17.3
197.13257	3.8
199.11237	3.9
201.09077	2.0
201.12836	2.1
203.14262	1.7
207.08112	1.5
207.11684	3.2
209.09627	4.1
209.13184	3.2
211.11150	12.7
211.14708	2.0
215.10681	5.1
219.11783	1.9
219.13629	1.4
221.09628	6.1
221.13292	2.0
222.10381	1.9
223.11084	2.1
223.14853	1.5
225.09106	1.9
225.12759	4.1
225.16385	3.7
227.10587	2.1
227.14336	2.1
235.11180	6.0
237.12714	11.4
239.10696	3.7
239.14323	3.9
249.12733	3.7
249.16335	2.4
251.14276	8.2
252.99745	1.3
253.12119	2.6
253.15851	10.8
255.13843	4.9
267.14063	1.9
267.17444	11.9
269.15359	5.0
271.16940	15.3
277.15930	17.7
285.15363	1.5
285.18372	7.1
289.11743	1.5
295.16934	28.4
303.08597	3.3
311.09604	2.0
313.17960	100.0
314.18573	1.9
331.13110	5.9
331.19019	89.3
332.19171	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1904
Annotation	Spiramilactone B
Peak:m/z	Relative Intensity
53.03929	0.7
55.01856	1.5
55.05497	1.1
56.44269	0.5
56.96543	0.8
57.03426	0.7
58.00755	0.5
65.03941	0.5
67.05203	0.5
67.05510	4.0
69.03412	1.6
69.07066	0.7
69.75996	1.2
69.76411	1.6
70.06578	0.8
72.08128	1.4
79.05080	0.6
79.05499	9.2
81.03400	0.8
81.07053	5.3
83.04977	0.5
85.02877	0.8
88.65118	0.5
89.07478	0.5
91.05481	12.4
93.07042	7.1
95.04954	1.1
95.08601	4.3
97.06516	1.4
98.20774	0.7
98.98470	30.5
100.11218	0.8
103.05438	0.7
104.06245	0.7
105.03400	0.6
105.07028	6.6
107.04940	2.2
107.08595	6.2
108.67455	0.5
109.06502	1.6
109.10155	1.3
111.08047	0.6
115.05451	1.5
117.07016	5.2
119.08582	36.1
121.06505	3.8
121.10164	2.9
123.04485	0.6
123.08076	2.9
128.06201	1.4
129.07027	2.8
131.04927	0.7
131.08603	2.9
132.05707	3.0
133.06456	1.7
133.10109	4.5
135.08047	10.0
137.09586	1.5
137.64372	0.5
139.03894	1.6
140.07072	1.2
141.06970	0.9
142.07761	0.6
143.08589	1.7
145.06487	17.0
145.10118	1.4
147.08047	100.0
149.09608	7.4
151.03868	0.9
153.09099	3.9
155.08597	0.6
158.07281	1.1
159.08080	8.6
161.05984	0.7
161.09624	12.5
162.05510	3.1
163.07526	1.2
165.09143	2.5
167.10625	1.0
169.04991	4.0
171.08038	4.8
173.09619	6.8
174.99191	1.3
175.11217	1.6
176.98895	3.3
179.09077	0.9
179.10661	8.9
181.04970	1.3
183.08032	1.1
183.11705	0.6
185.09607	5.2
187.11174	4.3
190.04988	2.8
193.10394	0.6
195.08089	0.7
197.09592	2.7
199.11200	2.4
206.52039	0.5
209.09468	1.2
211.11238	2.2
221.09732	0.8
222.10461	0.7
223.11325	0.8
225.12750	1.3
235.11258	0.8
237.12752	1.2
239.14336	0.9
248.96979	0.5
249.12823	1.2
251.14302	1.4
253.15871	0.7
262.13556	1.3
267.14789	0.7
267.17407	4.3
277.15906	5.6
295.16946	7.8
295.20203	1.0
311.09616	2.4
313.17972	44.7
314.18414	0.9
320.10269	0.8
331.08392	0.7
331.12680	1.5
331.19070	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	331.1881
Annotation	AM4299A
Peak:m/z	Relative Intensity
55.05492	1.2
56.96565	1.7
57.40170	0.5
67.05499	1.7
69.07066	0.8
69.96866	1.1
69.97253	1.2
79.05489	0.9
81.07045	1.5
83.04980	0.7
83.08608	0.5
87.04460	1.5
88.04833	0.5
91.05465	0.5
93.07045	1.0
95.08624	1.4
98.21503	0.7
98.98467	28.7
100.98890	0.8
105.07028	0.9
109.10169	0.9
119.08560	1.1
121.10153	0.7
125.09637	0.6
174.99236	1.2
176.98880	2.6
179.08969	0.5
197.01141	0.5
267.09100	0.7
269.10550	0.7
271.28232	0.6
277.21429	0.6
295.22687	1.6
311.12320	0.7
312.97681	0.5
313.17905	1.5
331.18805	100.0
331.30298	1.8
332.18985	0.8
349.17038	0.6
351.18466	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1026
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	6.1
57.03423	3.2
59.39319	0.8
61.02922	2.0
62.36010	0.8
67.01852	1.6
67.03915	0.9
67.05507	1.8
68.99790	1.8
69.03424	1.6
69.94012	0.9
70.06579	1.3
71.15260	1.6
73.02906	2.0
79.05487	1.5
81.03408	2.6
81.07042	3.1
84.08159	2.1
85.02905	13.1
86.09730	1.1
91.05476	3.7
93.07037	1.6
94.23846	0.9
95.04962	2.4
97.02887	2.3
98.98470	100.0
100.98888	2.8
103.03941	3.0
105.03436	1.3
105.07053	2.6
107.04923	2.1
107.08575	1.4
109.02873	5.9
109.06528	1.4
115.05463	1.1
116.99499	1.3
117.06998	1.5
119.04935	3.0
119.08563	1.1
121.02839	2.4
123.04414	9.4
124.07567	4.6
125.05988	1.2
127.03871	3.6
131.04883	2.3
133.02873	1.3
133.06444	1.1
137.06007	1.9
138.09109	1.0
139.03862	2.2
143.08496	1.0
145.06519	2.1
145.10062	1.0
147.04417	10.3
147.08080	1.3
151.03909	16.8
151.07512	1.3
153.01846	1.3
159.04376	1.8
161.05911	2.8
163.03896	13.7
165.05486	10.7
169.04967	16.6
169.08594	1.8
171.04456	1.0
173.06062	1.9
174.99202	4.9
175.03877	6.1
176.98936	9.6
177.05597	1.6
179.03461	1.1
179.08789	1.2
181.04959	38.7
187.03905	4.7
188.14536	0.9
189.05402	4.8
190.05023	2.2
193.04965	57.1
201.05597	1.3
203.03401	1.1
205.04967	8.7
207.02921	2.4
207.06505	16.6
210.11385	1.5
210.43073	0.9
211.06007	43.8
211.08025	2.3
213.05490	1.9
217.04903	2.5
219.06621	1.6
221.04619	1.2
229.04938	9.7
229.77655	1.0
231.06541	3.2
233.04469	2.3
235.06017	48.1
241.04955	4.7
247.06033	52.0
259.06033	23.1
265.07123	6.7
277.07068	14.9
277.15735	1.3
295.08173	11.5
295.16876	1.8
313.09045	3.4
313.17844	3.3
331.07986	2.8
331.12912	2.1
331.19009	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	330.2639
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	1.7
55.05508	15.4
56.89360	1.3
56.96549	1.9
57.03430	5.1
57.07073	4.2
59.04989	2.0
67.05505	34.0
69.03429	2.4
69.07062	10.4
71.04988	2.3
71.08640	2.4
72.95412	1.4
77.23812	1.3
79.05492	15.7
81.03388	4.0
81.07055	27.9
83.04981	6.2
83.08612	7.4
85.06524	2.1
87.04457	5.8
91.05489	10.6
93.07038	21.8
93.36678	1.3
95.04987	5.1
95.08605	15.4
96.75415	1.4
97.06535	4.4
97.10175	3.1
98.98466	100.0
99.08081	3.4
100.98888	1.4
101.05999	1.8
105.07027	7.5
107.04899	2.7
107.08592	10.3
109.06547	1.7
109.10162	16.6
111.08070	3.3
115.05451	3.7
116.99565	1.8
117.07002	2.2
119.08561	5.9
119.59918	1.5
121.10136	6.9
123.11670	3.2
125.09662	2.8
129.07004	1.7
131.08553	5.5
133.10135	5.3
135.11705	6.0
137.05992	1.8
137.09612	2.9
137.13249	1.8
139.11168	8.2
143.04955	8.7
145.10184	2.4
147.11676	4.8
149.13254	11.3
151.07523	11.2
151.11171	2.5
155.10669	5.4
157.10126	2.1
159.11682	3.9
161.13257	3.5
163.06313	5.2
163.11215	1.5
163.14815	2.0
167.14299	1.6
171.11778	1.5
173.11745	21.8
173.13174	2.5
174.99231	5.3
175.07549	5.2
175.99600	2.2
176.98903	5.2
177.12756	4.9
178.08632	46.0
192.10233	4.6
193.12213	3.2
195.13844	17.6
211.13263	2.7
213.14850	3.0
215.83308	1.3
231.21097	2.4
259.20657	2.6
277.21585	16.9
285.09995	1.5
295.22748	7.1
313.14462	1.5
320.06885	1.5
330.17065	15.1
330.29910	6.9
330.33704	6.1
334.43585	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	330.2638
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	3.0
55.01871	4.0
55.05517	25.2
56.96567	4.2
57.03452	8.3
57.07060	6.7
59.24088	2.0
63.46207	1.9
67.05183	2.7
67.05510	41.6
67.10703	1.6
69.03407	4.6
69.07075	20.1
70.04083	14.7
70.06546	1.8
71.04998	3.8
71.08627	5.3
71.22148	4.0
79.05498	26.3
80.04995	2.9
81.03423	3.8
81.07061	48.3
83.04979	14.9
83.08614	14.2
85.06537	4.7
87.04473	16.4
88.07626	4.4
91.05498	22.2
93.06486	3.9
93.07047	49.6
95.04971	5.7
95.08607	28.6
97.06538	11.5
97.10152	5.7
98.98471	100.0
99.08095	7.2
100.11254	2.6
101.06026	3.2
102.09166	2.4
103.05489	4.4
105.04476	2.3
105.07027	12.4
107.04933	2.5
107.08603	13.6
109.06506	3.5
109.10157	12.6
111.08089	4.2
115.05465	2.2
117.06995	3.5
119.08558	8.7
121.06502	38.1
121.10136	10.8
123.08047	4.2
123.11677	5.0
123.84671	2.1
125.09613	5.0
127.07507	1.9
129.07027	1.9
131.08553	8.1
131.30312	1.7
133.10132	14.4
135.08052	2.4
135.11664	12.2
137.13252	2.2
139.03937	2.1
139.11166	18.3
143.04942	5.1
145.10138	2.5
147.11713	10.0
149.13252	17.7
151.07526	7.3
151.11198	4.1
152.78111	1.7
153.12715	2.1
157.10059	4.2
159.11681	8.0
161.13269	6.0
163.06390	2.4
165.12741	3.3
171.11679	2.3
173.13293	2.8
174.99229	5.3
175.14999	2.0
176.98959	5.1
177.12764	6.9
178.08641	25.4
185.13292	1.9
189.11224	6.5
193.12256	3.7
195.13828	32.2
213.14792	2.2
221.15416	2.4
231.21095	2.2
241.19525	2.1
249.22084	1.8
259.20364	1.9
262.46686	1.8
265.21765	2.4
270.27893	3.5
277.21646	29.9
286.07883	3.1
295.22711	21.6
307.12158	7.1
307.15262	2.1
313.14175	2.8
314.07410	11.1
315.08023	2.7
325.13177	3.1
330.10547	21.1
330.17017	13.7
330.20700	29.7
330.29947	19.6
330.33667	11.3
331.18906	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	330.264
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	2.2
55.01868	5.6
55.05511	30.2
56.96561	7.9
57.03430	8.7
57.07074	8.0
67.05510	56.4
69.03440	3.5
69.06775	2.3
69.07081	21.9
69.93379	9.0
71.04993	4.4
71.08630	7.3
72.08154	4.6
79.05493	21.8
81.03417	4.4
81.07061	61.0
83.04984	6.8
83.08619	20.3
85.06541	3.9
87.04470	9.2
88.07642	4.0
91.05492	15.3
93.07034	24.1
95.04974	7.8
95.08615	25.8
97.06541	4.3
97.10165	16.5
98.98474	100.0
98.99133	4.8
99.08096	8.8
101.06030	4.5
105.07039	13.3
107.04950	2.5
107.08599	14.7
109.06525	3.0
109.10166	25.2
111.08095	5.7
115.05475	2.2
119.08561	11.6
121.06490	4.2
121.10161	9.0
123.08057	2.0
123.11708	9.4
125.09641	11.7
126.44220	1.8
131.08549	3.1
133.10133	7.5
135.08046	3.3
135.11690	8.0
137.05927	2.5
137.09618	8.1
137.13275	2.9
139.11183	7.4
143.04913	6.1
145.10091	2.7
147.11693	8.6
149.09642	3.2
151.07547	7.2
151.11238	4.9
153.12708	3.5
154.93991	1.9
155.10667	18.6
156.17493	4.1
161.13255	6.0
163.06265	4.1
165.12761	4.8
173.11755	25.3
174.99243	3.7
175.07587	3.1
175.11191	2.8
175.99672	3.0
176.98932	2.6
178.08658	32.3
179.14378	4.7
185.13266	2.6
189.11227	14.6
189.12807	3.9
193.12315	3.7
211.13261	5.1
221.15479	2.0
255.09058	2.4
259.20584	4.9
267.09216	3.1
268.30045	7.8
269.10654	4.2
270.27838	2.6
277.21655	30.9
285.09854	2.7
287.11771	2.3
295.22714	24.7
313.14386	3.7
330.17227	13.9
330.20502	3.1
330.29935	12.8
330.33673	24.7
331.15195	1.8
331.18878	31.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	330.2639
Annotation	Unknow
Peak:m/z	Relative Intensity
52.41950	1.7
53.03936	2.6
54.95097	1.6
55.01864	4.7
55.05509	21.4
56.96565	3.1
57.03440	4.5
57.07064	7.5
67.05507	43.1
69.03404	2.8
69.07067	24.0
71.04990	5.5
71.08631	12.9
79.05489	29.6
79.63957	1.6
81.03420	13.5
81.07060	37.2
83.04969	6.1
83.08612	7.6
85.02908	2.5
85.06532	1.9
85.10174	10.3
87.04464	3.6
90.93274	1.7
91.05470	19.6
93.07040	37.9
95.04955	9.7
95.08613	43.7
97.06523	7.6
97.10196	10.9
98.98467	100.0
99.08090	9.7
105.07037	11.8
107.04939	1.7
107.08598	17.6
109.06472	2.4
109.10155	17.3
111.08063	2.8
111.11674	2.9
113.09642	14.3
117.07015	5.6
119.08561	10.6
121.10145	31.9
123.08076	1.8
123.11669	4.8
125.09618	7.8
129.06985	2.4
129.71501	2.0
131.08595	9.9
133.10143	9.1
135.11696	9.0
137.05983	3.0
137.09624	12.3
139.11203	11.0
143.04955	10.9
143.08540	2.3
145.10083	4.6
147.11737	9.2
149.09584	6.7
149.13275	6.1
151.07538	14.4
151.11206	8.9
153.12773	1.9
157.12241	2.6
159.11681	3.1
161.13274	4.8
163.06311	3.8
163.11188	3.5
165.12778	8.9
167.10696	6.2
171.11708	2.8
173.13226	2.8
174.99257	4.6
175.07552	5.3
175.14697	2.6
176.98883	6.3
178.08636	50.3
179.14365	2.3
183.13757	3.2
185.11743	4.6
189.11267	2.1
192.10214	4.0
193.12283	3.5
193.15898	2.1
203.12764	6.2
211.13289	4.1
211.55821	2.0
231.20943	2.3
241.19492	3.7
251.37918	2.1
259.20554	5.6
277.21631	70.0
295.19263	2.7
295.22681	51.3
313.14285	4.5
330.13538	2.2
330.17062	23.7
330.30051	3.5
330.33722	5.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	330.264
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	6.1
55.01874	10.8
55.05516	61.0
57.03428	11.2
57.07062	12.3
59.05016	5.1
63.65644	3.6
67.05510	96.6
67.70729	4.0
69.03412	15.8
69.07068	43.6
69.60058	21.6
71.04980	13.6
71.08638	23.9
73.00244	3.4
79.05502	70.3
81.03437	5.7
81.07064	100.0
83.04984	28.5
83.08630	30.8
84.04498	5.0
85.06543	6.4
87.04496	7.6
87.70818	3.7
91.05484	38.3
93.07049	82.3
95.04948	14.3
95.08621	56.7
97.06548	27.6
97.10185	20.0
98.97869	5.3
98.98476	65.2
99.08096	21.9
100.11266	8.9
105.07026	31.7
106.74439	3.7
107.04933	4.3
107.08598	37.8
109.06573	5.2
109.10152	30.0
111.08071	7.2
117.07034	8.6
119.08598	23.6
121.10152	26.7
123.08015	5.8
123.11706	6.3
125.09634	15.5
129.07011	9.7
130.05031	7.6
131.08549	16.4
133.10150	23.1
135.11702	20.5
136.14445	3.6
137.09624	7.2
139.11191	46.5
145.10112	9.3
147.11722	19.5
149.13292	22.9
151.07593	6.8
151.11182	15.0
153.12761	4.1
154.34467	4.2
155.10678	10.0
157.10008	6.0
159.11707	17.2
161.13292	12.8
163.11182	8.3
165.12749	6.9
171.11757	4.7
173.11716	11.3
175.11136	8.9
175.14812	7.8
177.12729	11.7
178.08623	26.3
179.14259	8.5
189.11194	12.1
191.14374	3.6
193.12236	13.2
195.13838	59.6
199.14868	4.0
211.13380	7.7
217.19571	3.8
241.19507	5.3
259.20575	9.5
277.21655	81.7
295.22705	41.7
330.17105	9.7
330.30191	5.0
349.17111	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	329.2089
Annotation	Unknow
Peak:m/z	Relative Intensity
53.38593	0.5
56.29172	0.5
80.23707	0.6
98.50222	0.5
98.98473	90.0
105.50192	0.5
116.99525	1.1
139.78607	0.5
140.01115	1.2
174.99261	8.1
176.98903	3.7
178.08643	1.8
196.15221	0.6
251.00018	0.9
252.99667	1.5
311.31494	1.4
329.20883	100.0
330.21094	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	330.264
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	1.7
55.01862	4.7
55.05515	48.6
56.96591	1.6
59.05003	2.8
66.04638	1.3
67.05507	17.2
69.03417	4.7
69.07069	13.0
69.28651	1.3
70.30826	1.4
70.91367	3.5
71.08639	7.7
74.35332	1.5
75.05346	1.4
75.36580	1.2
76.62531	1.6
79.05491	15.2
81.03450	1.3
81.07071	15.4
83.04974	3.3
83.08622	32.3
85.06554	2.8
91.05479	4.7
93.07069	8.3
95.04978	1.6
95.08601	6.7
96.49364	1.3
97.06526	1.7
97.10175	72.4
98.98469	37.1
99.08131	7.7
101.09668	1.7
105.07006	3.7
105.65861	1.4
106.33508	1.6
107.08603	23.9
109.06550	1.5
109.10136	4.6
111.08056	2.9
111.47305	1.3
117.07011	2.5
121.10155	3.6
125.09639	63.0
126.12812	3.7
133.10135	2.2
135.08043	4.3
135.11644	2.6
143.10669	4.9
144.37907	1.6
147.11725	2.5
149.13243	2.9
151.11179	5.3
153.09108	5.8
161.13280	4.9
163.11142	2.3
171.10187	21.4
174.99239	2.8
176.98979	2.2
178.08624	6.7
179.14383	4.3
189.11229	100.0
241.19482	3.3
259.20642	3.0
277.21637	60.3
295.22784	14.6
330.16943	2.8
330.30121	2.0
333.39438	1.3
341.50009	1.4
349.16785	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	329.1749
Annotation	Nepetanudone
Peak:m/z	Relative Intensity
50.73138	0.3
53.31465	0.3
55.01880	0.9
57.03439	0.4
64.25687	0.4
64.61882	0.3
67.05499	1.4
69.03422	0.6
69.87922	1.5
70.06600	0.5
71.04978	0.4
79.05511	2.4
80.48508	0.4
81.03419	1.4
81.07071	1.9
81.09669	0.3
84.04527	0.3
91.05482	5.0
93.07053	2.5
95.04964	3.2
95.08619	1.2
98.98473	48.4
103.05449	0.6
105.07029	5.1
107.04961	0.8
107.08578	1.3
109.06519	1.3
116.99483	0.4
117.07024	2.1
118.61821	0.4
119.04912	2.0
119.08585	2.8
121.02836	0.6
121.06482	1.8
121.10126	0.7
123.04433	8.1
128.06238	0.5
129.07034	2.7
131.04953	0.6
131.08575	3.0
133.06532	1.1
133.10143	1.0
135.04443	0.7
135.08058	1.5
137.05986	8.5
139.03972	0.5
141.06960	0.9
142.07732	0.6
143.08537	3.3
145.06512	2.1
145.10130	2.5
147.03242	0.6
147.04411	10.1
147.08046	2.2
147.11789	0.4
149.06003	0.5
149.09669	0.4
151.07547	1.0
155.08591	1.7
157.10146	1.9
159.08087	1.4
159.11728	0.9
161.06007	5.1
161.09659	0.7
163.03960	0.8
163.07741	0.4
165.06915	0.5
167.08521	0.8
169.06509	0.5
169.10193	1.2
171.08046	1.2
171.11687	1.0
173.06020	0.6
173.09630	0.9
174.99246	5.4
175.07556	0.8
175.11099	0.6
176.98950	2.3
179.08607	1.0
180.09396	0.4
181.06517	0.5
181.10173	0.8
183.08086	1.4
183.11720	0.7
185.09644	1.5
187.07555	0.5
187.11208	0.8
189.09074	1.3
189.12737	0.8
191.06902	0.4
193.10187	0.7
195.08055	2.3
195.11705	1.1
197.09634	1.4
199.07585	0.8
199.11281	0.8
201.09193	1.3
203.10683	0.5
204.09360	0.6
205.10063	0.7
206.10901	0.6
207.08215	1.0
207.11719	1.3
208.08942	0.6
209.09645	1.4
209.13307	1.0
211.11205	1.2
213.09102	2.9
215.10649	0.5
219.08130	0.6
219.11694	1.0
220.08871	1.0
221.06172	0.4
221.09625	1.4
221.13173	0.6
222.10416	0.5
223.11218	1.5
223.14937	0.5
225.09172	0.4
225.12747	0.9
233.09686	2.7
234.10387	1.0
235.11208	2.4
237.09071	1.2
237.12735	5.2
239.10777	1.3
239.14372	0.6
241.12254	0.5
247.11198	1.3
247.14561	0.4
249.12764	2.8
250.99995	0.7
251.10706	2.0
251.14363	1.6
252.99803	1.1
253.12155	2.1
255.13783	1.3
265.12317	1.2
265.15903	1.3
267.13864	1.8
269.15421	1.0
275.14429	2.7
283.16864	0.5
285.14993	0.6
293.15408	6.5
311.16620	2.0
329.17484	100.0
330.17770	0.9
350.99167	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.1748
Annotation	Nepetaparnone
Peak:m/z	Relative Intensity
50.97691	0.3
53.12970	0.4
56.96570	0.5
57.03423	0.4
60.04527	0.4
67.05502	1.5
69.03444	0.5
69.07079	0.6
69.33515	1.6
69.33955	1.8
72.08166	0.5
79.05489	1.7
81.03397	1.2
81.07055	1.6
86.03551	0.4
91.05482	4.5
93.07038	1.9
95.04968	3.2
95.08622	1.0
97.06542	0.5
98.98472	47.1
100.98892	0.7
103.05487	0.5
105.07036	4.4
107.04952	0.9
107.08573	1.2
109.06554	0.6
115.05392	0.5
116.99460	0.5
117.07005	2.1
119.04991	2.0
119.08567	3.1
121.02843	0.7
121.06484	1.3
121.10136	0.5
123.04430	7.4
128.06215	0.9
129.07031	2.9
131.04967	0.4
131.08565	3.7
133.06441	0.9
133.10138	1.5
135.08032	0.8
137.05984	9.6
141.07007	0.5
143.08559	2.2
145.06459	2.2
145.10144	2.5
147.04408	5.0
147.08023	1.4
147.11644	0.4
149.05995	0.5
149.09625	0.4
151.07568	0.8
153.07043	0.4
155.08546	1.4
157.10124	2.1
157.91566	0.4
159.08104	1.4
159.11673	1.0
161.05978	3.5
161.09679	0.5
163.03923	0.9
163.07574	0.5
165.07019	0.6
167.08540	0.4
169.10095	1.6
171.08066	1.0
171.11623	0.7
173.09674	0.9
174.99239	5.2
175.07555	0.9
176.98921	2.1
177.58708	0.4
179.08603	0.6
181.06500	0.6
181.10107	1.3
182.07198	0.6
183.08086	1.2
183.11702	1.1
185.09637	1.4
188.03473	0.4
189.09100	1.0
189.12735	0.6
193.10088	1.0
195.08099	1.6
195.11734	1.0
197.09659	1.4
198.22084	0.4
199.07382	0.9
199.11234	0.6
201.09212	0.7
206.10828	0.5
207.08052	0.8
207.11693	1.0
208.08838	0.7
209.09633	1.4
211.11166	1.3
213.09128	4.4
219.08095	1.0
219.11780	0.6
221.06142	0.5
221.09662	0.7
221.13286	0.5
223.11179	1.6
225.09142	0.5
225.12762	1.4
233.09679	4.1
233.13232	0.4
234.10367	1.6
235.11197	3.2
237.09103	1.4
237.12726	2.7
239.10614	0.9
239.14360	0.5
241.12192	0.7
247.11166	1.8
247.72357	0.4
249.12729	2.3
250.13654	0.8
251.10654	2.1
251.14282	1.5
252.99655	1.2
253.12213	1.9
255.13774	1.2
260.11938	0.9
265.12317	1.8
265.15891	0.8
267.13818	2.5
269.15298	0.9
275.14282	3.0
293.15375	6.8
311.16422	1.5
329.17480	100.0
330.17630	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	328.2482
Annotation	Unknow
Peak:m/z	Relative Intensity
51.35915	2.8
55.01871	16.8
55.05517	27.8
57.03435	6.5
57.07065	7.7
59.89894	2.5
67.05509	75.1
69.03423	5.6
69.07073	20.4
69.92697	5.8
69.93109	8.1
71.04984	8.9
71.08643	4.5
73.23368	3.1
79.05506	27.0
81.03401	10.3
81.07063	64.7
83.04971	10.2
83.08631	13.8
85.06536	10.0
91.05487	43.7
92.73346	2.5
93.07038	31.6
95.04964	14.0
95.08612	39.3
97.06503	6.4
97.10166	5.7
98.20835	3.4
98.98471	100.0
99.04446	4.3
99.08117	3.3
105.07039	50.1
107.04944	10.8
107.08602	53.0
109.06512	9.1
109.10159	78.0
111.04397	3.3
111.08035	4.1
113.06004	3.5
116.97700	2.9
117.07016	6.8
119.08588	21.5
121.06503	3.7
121.10150	16.0
123.04433	3.7
123.08073	10.9
123.11704	15.9
125.09646	4.7
127.07536	6.1
131.08554	10.0
133.10138	90.6
135.11703	11.5
137.09604	14.9
140.01054	3.3
145.10135	12.6
146.45212	3.1
147.11697	9.9
149.09584	6.8
149.13264	3.7
151.11189	74.8
159.11650	4.9
161.13185	4.3
163.11182	12.5
165.09116	8.0
169.12268	25.1
172.94348	5.4
173.13268	8.4
174.99223	9.7
177.12805	3.8
179.10693	5.4
189.92392	3.5
209.11650	3.3
215.12772	12.5
229.19449	3.8
232.96379	6.2
239.17969	3.7
247.20673	7.1
257.18988	9.8
275.20087	69.2
278.21985	4.8
293.21127	49.9
296.23083	17.7
312.12219	5.3
324.76758	2.8
328.15457	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	328.2483
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	3.5
55.01862	1.7
55.05512	23.9
56.96567	8.3
57.03436	4.5
62.90783	1.2
65.03927	2.2
67.05507	55.6
69.03427	4.4
69.07069	16.7
71.04990	4.3
71.22113	2.8
72.68060	1.1
73.02921	1.8
79.05495	51.9
81.03413	4.7
81.07056	34.5
81.71285	1.4
83.04987	6.4
83.08613	15.3
85.02914	3.2
85.06532	3.1
91.05482	27.1
93.07045	47.0
93.99026	1.2
95.04968	12.7
95.08616	27.0
97.02895	3.0
97.06528	3.5
97.10189	14.0
98.98471	100.0
99.08087	1.6
105.07033	22.3
107.08601	26.7
109.06517	2.9
109.10159	28.3
110.05790	1.3
110.10536	1.5
111.08080	2.5
117.07023	6.3
119.08587	18.5
121.06490	2.4
121.10141	30.3
123.08075	3.4
123.11665	2.9
125.09644	11.9
128.06284	1.5
130.93279	2.8
131.08534	7.3
133.10130	11.9
135.08067	2.6
135.11700	4.4
137.09607	9.8
139.11156	2.4
143.08586	2.1
145.10170	7.7
147.11685	11.1
149.09669	3.6
149.13261	2.1
155.10675	8.4
157.10156	3.4
159.11711	6.2
161.13226	5.0
171.10161	1.8
171.11603	2.6
172.13397	1.3
172.94366	8.7
173.11774	19.4
173.13220	2.4
174.99222	11.1
175.99562	2.1
176.98946	3.4
178.80186	1.3
183.11652	2.1
189.11234	13.3
190.95450	7.2
193.12268	3.0
194.37170	1.3
208.96416	1.7
209.15376	2.1
211.13367	1.7
214.95474	2.7
217.07402	1.5
223.13159	2.0
229.07516	8.1
229.14450	1.8
230.07852	3.9
232.96472	11.2
247.08505	2.3
248.09071	1.5
250.97647	3.9
255.97794	1.8
257.19003	2.3
262.93970	2.0
275.20117	23.3
280.94937	1.6
281.10623	4.7
282.10889	3.8
293.21146	5.6
312.12180	3.4
327.64682	2.5
328.09018	1.5
328.15521	5.2
329.29346	1.5
346.81638	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	328.2482
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	3.9
55.01858	4.5
55.05512	17.6
56.96557	4.2
57.03427	6.9
57.07077	2.4
57.42305	1.7
59.69118	1.9
67.05503	49.7
69.03431	4.3
69.07069	40.9
69.69759	4.2
69.70172	7.4
70.74805	1.6
71.01359	1.7
71.05004	4.3
75.55593	1.5
79.05071	2.8
79.05496	35.3
81.03419	8.8
81.07062	72.9
83.04998	8.3
83.08628	11.0
85.06534	6.0
91.05482	25.7
93.06496	2.7
93.07052	40.9
95.04963	11.6
95.08056	2.8
95.08614	27.9
97.06543	12.7
97.10163	6.2
98.09672	5.1
98.21546	1.8
98.98470	100.0
99.08119	2.1
105.07034	30.3
107.04963	5.3
107.08588	27.4
109.06542	10.9
109.10173	12.1
111.08075	4.9
117.07030	6.5
119.08582	25.0
121.06516	3.4
121.10152	18.9
122.03663	1.9
123.08063	8.6
123.11717	10.2
125.09618	3.0
129.07011	4.8
131.08588	10.5
133.10139	21.0
135.08055	3.8
135.11702	21.7
135.30637	1.6
137.05980	18.6
137.09599	6.2
138.06282	2.1
145.10126	10.5
147.11696	17.5
149.09628	6.8
149.13318	8.7
151.11234	2.4
157.10165	3.3
157.11385	1.9
159.11749	10.2
161.13242	3.6
163.11223	8.5
165.12747	3.3
171.11703	3.9
172.94392	6.5
173.13254	4.4
174.99260	10.6
175.99622	3.7
176.61656	1.6
176.98952	3.9
177.12799	3.6
181.12225	18.6
183.11684	2.2
185.13289	1.7
189.11208	4.0
190.95329	2.8
191.14223	1.8
193.12285	3.4
195.13754	13.8
199.13324	2.2
212.16312	2.1
213.14944	2.1
214.95448	2.6
232.96434	6.4
235.16971	2.0
239.18105	2.7
247.20781	2.0
252.99826	2.1
255.98177	2.2
257.19025	5.5
275.20062	39.6
275.22818	3.4
293.21033	10.3
328.15283	4.4
328.18872	14.0
341.67938	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	328.2484
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.9
53.61239	0.9
55.01868	1.2
55.05518	7.8
56.24419	0.9
57.03431	2.8
67.05507	24.9
69.03439	2.5
69.07072	8.5
70.12483	3.7
71.04995	1.8
74.47104	0.8
77.03925	1.2
79.05497	21.2
81.03412	3.1
81.07056	20.0
83.04982	3.1
83.08628	5.3
85.06508	1.3
90.24856	0.9
91.05486	17.6
93.07045	28.1
95.04979	5.5
95.05524	1.0
95.08620	12.5
97.06517	2.6
97.10163	4.2
98.09651	0.9
98.98472	100.0
105.07040	12.5
107.04948	1.2
107.08599	11.0
109.06533	2.5
109.10165	9.7
111.08067	1.8
116.99522	1.2
117.06998	2.9
119.08597	10.6
121.06496	1.0
121.10152	7.7
123.08064	2.8
123.11700	1.9
125.09631	3.2
129.06970	1.6
131.08609	5.3
133.10129	8.8
135.08046	2.3
135.11697	5.6
137.09630	4.2
140.01103	1.3
145.10115	4.7
147.11707	4.0
149.09639	2.5
149.13278	2.1
151.11154	1.9
155.10687	3.1
157.10118	1.3
159.11708	3.9
161.13277	1.3
163.11206	2.3
165.12668	1.2
172.94353	3.9
173.11726	4.8
173.13161	1.9
174.99199	7.8
175.99532	2.3
176.98911	2.8
177.12651	1.1
181.12227	2.6
183.11755	1.0
189.11205	2.8
190.95461	2.5
193.12325	1.2
195.13823	2.1
199.14874	1.4
208.96431	1.1
214.95425	1.9
232.96494	5.4
235.16982	3.4
247.20490	1.1
250.97614	2.3
257.19052	1.9
275.20053	15.0
293.20953	1.4
312.12222	1.5
324.49261	1.1
328.15332	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	328.2482
Annotation	Unknow
Peak:m/z	Relative Intensity
53.97818	1.7
55.01879	4.0
55.05514	48.6
56.26882	2.2
56.96561	2.1
57.03439	2.2
59.04994	2.0
67.05505	9.8
69.03420	6.7
69.07068	9.5
69.93456	7.8
79.05502	24.4
81.07066	16.0
83.04966	5.3
83.08622	33.4
85.30453	1.9
90.75755	2.0
91.05496	9.2
93.07045	9.1
95.08603	3.0
97.06535	3.0
97.10172	65.5
98.98466	35.4
105.07043	13.2
106.07695	1.7
107.08597	78.0
109.06563	2.5
109.10176	3.4
117.06987	2.2
119.08574	6.8
121.10165	3.1
124.11246	2.2
125.09634	62.2
131.08560	3.6
133.10147	8.1
135.08040	5.3
143.10703	3.4
145.10146	6.0
147.11746	2.9
149.09576	3.0
153.09097	3.9
159.11690	2.7
167.10736	4.1
171.10210	18.1
171.11557	3.7
172.94432	4.6
173.13271	3.5
174.99239	3.8
181.12250	3.6
181.89294	2.1
189.11226	100.0
204.37035	1.9
220.99295	1.8
232.96451	5.1
244.27200	1.9
250.97530	2.0
257.19064	9.5
275.20081	78.3
293.21118	7.7
299.03210	1.9
328.15451	2.3
333.94897	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	327.2895
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	0.7
55.05514	3.8
56.96560	0.9
57.03432	2.0
57.07079	2.6
59.05013	0.7
65.39155	0.4
67.05508	8.0
68.05846	0.8
69.03418	0.6
69.07069	11.3
70.05953	2.0
70.06580	0.9
71.05005	3.5
71.08631	1.6
71.27337	0.4
71.44138	0.5
72.45213	0.4
73.50440	0.5
77.01595	0.6
79.05495	4.3
81.03416	1.3
81.07058	21.8
82.07391	1.0
83.04985	0.6
83.08626	3.9
84.04499	1.4
85.06538	3.4
89.27369	0.4
91.05486	3.1
92.05823	0.4
93.07043	7.9
94.07380	0.9
95.04981	1.5
95.08615	17.1
96.08947	1.8
97.02905	0.8
97.06550	2.3
97.10169	1.8
98.98471	100.0
99.08115	3.7
105.07047	3.9
105.68473	0.5
106.07381	0.4
107.08601	7.5
109.06532	1.0
109.10164	8.9
109.10848	0.8
110.10508	0.9
111.08089	4.5
111.11741	1.8
113.05988	0.8
113.09641	1.8
116.07114	0.5
116.99524	1.6
117.07006	0.9
119.08553	2.6
120.08947	0.7
121.06539	0.8
121.10145	4.2
123.04452	0.8
123.08078	1.4
123.11725	5.0
125.09630	1.1
125.13252	0.6
130.05025	0.9
131.08600	0.7
133.10146	1.1
135.08066	0.6
135.11702	3.4
137.05969	1.1
137.09644	0.6
137.13269	3.7
139.11220	0.7
139.75739	0.5
141.09271	0.4
145.06517	0.5
145.10126	0.5
147.04459	1.0
147.11765	2.7
148.06076	0.7
149.13275	3.3
151.14851	1.1
153.12785	1.6
155.14380	1.0
161.06015	1.4
161.09662	0.6
161.13293	1.0
163.03998	0.6
163.14882	0.8
165.12773	1.6
165.16391	0.5
167.14371	0.6
174.99229	14.6
175.00677	0.8
175.03909	2.4
177.16422	0.8
185.16325	0.6
191.18021	0.6
198.96742	0.5
201.05511	0.6
201.14792	0.5
201.86848	0.5
203.11160	0.7
217.19608	0.5
251.00020	3.3
271.05994	0.6
273.18570	0.6
273.25702	0.9
279.26953	0.8
291.19434	3.5
291.26840	2.9
295.21167	0.8
299.05429	1.1
301.94098	0.5
309.27966	1.7
327.05042	2.8
327.08673	2.2
327.12338	1.0
327.16162	0.7
327.20071	1.4
347.90778	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.2894
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.8
55.01875	1.2
55.05516	7.2
57.03440	0.8
57.07076	4.5
59.04988	1.5
67.05510	9.9
69.03411	0.6
69.07067	19.6
70.62717	0.8
70.63046	1.2
71.04981	2.7
71.08630	1.9
77.92565	0.5
79.05492	6.2
79.30653	0.6
81.03420	1.7
81.07056	41.5
83.05011	0.8
83.08626	9.2
85.06548	6.9
85.10168	0.8
91.05487	4.2
93.07048	11.9
95.04941	1.3
95.08612	27.7
97.06535	3.7
97.10162	3.1
98.98469	100.0
99.08084	4.3
100.11270	0.9
105.07027	6.4
107.06082	0.7
107.08601	11.3
109.06512	1.4
109.10153	15.9
111.08082	9.3
111.11734	4.1
116.99517	1.8
119.08584	3.5
121.10151	6.4
123.04435	0.7
123.11706	14.3
125.13268	0.8
133.10139	1.8
135.11690	5.8
137.06006	1.0
137.13258	8.5
139.11186	1.9
147.04420	0.7
147.11696	3.5
149.13268	6.9
151.14832	0.9
153.12770	4.8
155.14340	2.8
155.87338	0.6
161.06042	1.6
161.13298	1.9
163.03918	1.2
163.14847	2.4
165.05603	0.8
165.12714	3.0
171.13872	0.8
174.99243	15.6
175.00702	1.1
175.03940	3.0
175.14828	0.8
177.16425	1.4
179.18050	0.7
183.13789	1.4
191.18019	1.4
201.14868	1.3
203.17943	0.6
205.19580	0.7
209.19165	0.6
210.14958	0.7
217.19589	1.2
250.99971	3.1
253.44505	0.6
255.20935	0.7
261.25760	0.8
262.05957	0.6
273.25916	1.8
279.26865	1.4
291.26825	4.8
295.09674	1.3
299.05594	0.8
309.27832	3.1
327.05011	2.7
327.08713	2.8
327.12274	1.1
327.15964	1.0
327.19968	0.9
337.68848	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.2319
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.4
55.01842	1.6
55.05513	5.1
55.05729	0.9
57.03423	1.3
57.07072	2.7
59.04989	1.2
59.12088	0.8
67.05517	12.1
69.07074	6.9
70.96310	2.7
71.04964	1.4
71.08614	2.4
71.69087	0.8
79.05502	8.5
81.03410	2.4
81.07063	11.4
83.04967	1.6
83.08610	3.0
85.06539	1.4
91.05482	14.4
93.06495	1.7
93.07047	24.8
95.04370	1.6
95.04969	24.7
95.08607	19.1
97.06528	6.3
97.10146	1.1
98.98470	100.0
99.08086	1.4
104.63695	0.8
105.04565	1.0
105.07036	20.1
107.04893	1.0
107.08597	12.9
109.06507	4.2
109.10149	8.8
111.08036	0.8
111.11707	0.9
115.05470	1.6
116.99455	1.0
117.07008	5.3
119.07716	1.4
119.08581	20.4
121.06498	5.2
121.10159	11.6
123.08064	4.7
123.11688	3.6
128.06223	1.5
129.06969	3.4
130.07782	2.4
131.08557	10.3
133.10141	15.2
135.08020	3.9
135.11684	4.5
137.09578	2.8
140.01056	1.7
141.06992	1.2
142.07762	3.6
143.08556	6.3
144.09381	1.5
145.10133	13.8
147.11670	4.9
149.09613	2.0
151.11183	2.1
153.06982	1.1
155.08522	2.6
156.09369	2.4
157.10149	9.7
158.10930	1.3
159.08057	1.4
159.11705	14.3
161.09607	6.4
161.13248	2.5
163.11110	1.3
167.08563	1.3
169.10126	5.3
170.10960	1.8
171.11684	4.4
173.09578	1.4
173.13228	5.0
174.99226	14.2
175.14807	5.4
177.12776	1.0
182.10965	1.1
183.11678	3.5
184.12477	1.2
185.13280	2.4
187.11195	1.8
187.14806	5.9
195.11697	2.2
197.13284	4.4
199.14830	3.8
201.12721	1.2
201.16374	1.4
205.15858	1.5
209.13252	2.6
210.13905	1.3
211.14803	2.9
213.16408	1.0
215.14272	1.2
217.15916	2.5
221.13387	1.5
225.16396	1.7
227.14427	1.5
232.96317	0.8
235.14809	2.5
237.16530	1.1
250.97617	0.9
251.00050	3.3
253.15697	1.5
277.21649	4.8
277.31735	1.0
281.22699	1.3
289.35986	1.0
291.21088	1.2
295.22644	11.5
309.21954	2.5
327.08023	1.9
327.23151	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	327.2319
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	4.8
55.01855	2.5
55.05507	7.6
57.03417	1.6
57.07063	1.7
57.84618	1.2
63.64705	1.5
65.03931	2.0
67.05228	1.2
67.05509	13.5
68.83982	1.2
69.07067	8.9
77.03942	1.6
79.05495	11.8
81.03412	1.9
81.07052	20.5
83.08607	3.5
85.06537	2.8
90.04888	1.4
91.05479	21.6
93.06483	2.3
93.07045	37.1
95.04975	38.3
95.08610	28.6
96.20679	1.2
97.06545	10.2
98.98472	100.0
103.05469	1.8
105.04559	1.5
105.07040	32.2
107.07889	1.5
107.08598	21.4
109.06514	5.7
109.10177	14.1
115.05435	1.5
116.06162	1.4
117.07043	6.9
119.08584	33.1
121.06489	9.4
121.10152	17.4
123.08051	7.4
123.11691	3.9
128.06212	4.7
129.06987	6.4
130.07771	3.1
131.08554	13.9
133.10127	24.4
135.08060	4.8
135.11694	5.6
137.09660	2.7
141.07022	2.1
142.07762	7.1
143.08548	10.9
144.09349	3.2
145.10121	21.0
147.07994	2.8
147.11728	8.7
147.87561	1.3
149.09596	3.1
149.13228	2.1
152.06232	6.8
153.07018	6.3
155.08514	3.6
156.09344	4.1
157.10104	15.3
158.10959	1.6
159.08089	3.4
159.11681	19.4
161.09599	8.3
161.13275	3.3
164.40070	1.5
168.05650	2.6
168.09392	1.8
169.10147	6.9
170.10895	3.0
171.11694	8.7
172.12421	1.4
173.09673	1.6
173.13228	9.8
174.99252	12.7
175.14830	7.6
181.10117	2.4
182.10939	2.4
183.11703	6.2
185.13318	6.1
187.11140	3.7
187.14851	6.9
189.12694	2.4
189.16414	2.2
191.14354	1.8
193.10120	2.9
194.10880	1.9
195.11653	2.6
197.13269	5.4
199.14838	4.4
201.16373	2.7
209.13231	4.1
211.14749	4.1
213.16365	2.6
215.14432	2.0
217.15932	3.1
219.17447	1.5
221.13226	2.1
223.14857	1.9
225.12746	1.3
225.16327	2.7
227.14436	2.0
228.09396	2.5
229.15829	2.1
233.03590	7.7
235.14769	2.9
235.17024	1.4
241.15997	1.6
251.00014	2.8
251.04709	3.8
253.15977	1.6
291.20993	2.2
309.22180	3.6
327.07806	33.4
327.13934	1.8
327.23105	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	327.2165
Annotation	Albocycline M-6
Peak:m/z	Relative Intensity
55.01635	1.1
55.01876	16.5
55.05516	4.0
56.96562	1.0
57.03429	0.9
57.07059	0.7
62.07591	0.6
64.95113	0.6
67.05511	8.3
69.07075	6.1
69.43774	1.3
69.44171	4.5
76.00684	0.6
76.55411	0.6
79.00402	0.6
79.05497	3.6
81.03423	2.0
81.07069	5.9
83.04987	2.1
83.08619	2.0
83.47411	0.6
85.06542	1.2
86.01797	0.6
91.05511	4.3
93.07066	4.6
95.04980	5.2
95.08612	3.2
97.06540	16.7
97.10186	1.9
98.20768	1.4
98.98471	100.0
99.04407	0.8
103.05473	0.8
105.07053	3.0
107.04971	1.5
107.08597	2.2
109.06539	1.6
109.10154	5.1
111.04437	3.6
111.08096	0.8
116.99491	1.7
117.07092	1.0
119.08591	1.5
121.10144	1.3
123.08095	0.9
125.09642	3.2
127.07574	0.7
129.07002	0.8
131.08546	1.8
133.10146	2.3
135.11693	1.0
137.09691	3.3
140.01111	0.9
145.10117	1.2
147.04430	1.5
147.08115	0.7
147.11674	0.9
149.09653	1.3
153.09114	1.6
155.10701	1.1
159.11705	0.9
159.29085	0.6
161.09651	1.3
173.11807	1.9
174.99249	13.9
175.03931	5.6
175.14899	0.9
185.13388	1.0
189.11249	0.8
205.05176	1.0
211.13419	1.0
213.66306	0.7
221.15485	1.3
249.14865	1.1
251.00114	2.7
263.20178	3.0
267.15964	1.2
273.18481	3.2
281.20978	0.8
281.76437	0.7
291.19565	13.9
309.20596	26.8
320.32507	0.7
327.04910	1.0
327.08441	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	327.2166
Annotation	Albocycline M-6
Peak:m/z	Relative Intensity
55.01870	2.0
55.05506	9.3
55.62914	0.7
57.03418	1.3
67.05499	7.2
67.22682	0.7
69.03423	0.9
69.07075	5.2
71.04992	1.3
79.05498	5.6
80.07426	1.0
81.03413	2.9
81.07055	14.0
83.04982	2.5
83.08624	6.2
85.02894	1.1
91.05477	2.9
93.07035	4.2
95.04968	2.4
95.08623	4.8
96.61166	0.7
97.06527	1.5
97.10181	12.7
98.98470	100.0
99.08105	0.9
105.07034	2.8
107.04936	1.4
107.08578	4.1
109.06547	1.1
109.10162	2.4
111.04443	3.1
111.08076	2.4
116.99519	1.5
119.08578	2.9
121.10153	1.7
123.04430	1.0
123.08080	5.4
125.09636	10.0
129.07002	0.9
131.08566	1.4
133.10124	1.2
135.08064	1.5
135.11652	1.1
137.09637	1.6
139.11200	1.5
145.10133	2.2
147.04453	1.1
147.08029	1.9
149.09656	1.2
153.12856	0.8
157.10117	1.2
157.19885	0.8
163.03972	1.1
163.11086	3.9
165.09116	1.4
171.10260	1.4
174.99231	15.6
175.03893	3.6
175.11134	1.1
181.12164	0.9
189.11217	12.4
191.10754	1.1
193.12224	2.5
205.05151	0.8
211.13312	1.3
227.12755	1.8
241.21820	0.8
251.00038	3.2
273.18491	2.8
291.19568	20.3
309.20538	8.5
327.08545	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	327.0863
Annotation	Millettocalyxin A
Peak:m/z	Relative Intensity
50.83877	0.3
51.40339	0.3
55.01853	0.4
58.38021	0.3
65.56590	0.3
67.05489	0.4
69.07062	0.3
71.03632	0.3
71.03955	0.7
72.51164	0.3
73.02889	0.4
75.58136	0.4
79.05484	0.5
81.03387	0.4
81.07066	0.5
83.04974	0.3
85.84575	0.3
87.04462	0.3
89.03918	0.7
89.06031	1.1
91.05488	5.7
91.51778	0.3
93.07030	0.5
95.04965	0.5
98.98466	49.8
103.05441	0.5
105.07005	0.7
107.04926	0.8
116.99490	0.5
117.03371	0.4
119.04937	3.9
119.08575	0.6
120.05706	0.6
121.02804	0.8
122.09644	0.3
123.04427	14.0
131.04912	1.2
131.08553	0.5
133.06490	0.4
133.08627	0.4
135.04399	1.2
137.05954	1.3
145.02850	0.9
147.04407	26.1
148.05161	1.5
149.05988	0.9
159.04408	0.5
161.06017	0.8
163.03905	17.2
163.07483	0.6
164.04156	0.4
165.05482	0.9
174.99245	8.3
175.03903	100.0
176.04684	8.1
177.05444	1.2
187.03864	0.8
189.05470	9.8
200.41676	0.4
203.03406	1.8
205.04961	19.1
217.04892	2.2
234.96857	0.4
246.07275	0.4
250.99983	1.4
252.97862	0.4
258.00842	0.4
263.06973	0.5
267.10083	0.4
271.05969	0.5
281.08051	1.2
299.05481	1.0
309.07516	2.2
327.08591	90.0
328.08829	1.3
328.97412	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	326.1963
Annotation	Unknow
Peak:m/z	Relative Intensity
51.77365	0.5
54.58963	0.5
55.05480	0.7
57.03418	0.8
67.05499	0.6
68.05018	0.8
69.07070	0.8
70.06588	0.7
70.87621	0.9
79.05473	2.2
80.05000	2.2
81.03398	0.8
81.07036	1.8
82.06552	0.5
83.87483	0.7
84.04504	5.8
85.02904	7.8
91.05453	0.9
93.07039	5.2
94.06580	0.8
95.08590	1.3
96.08102	0.6
98.02402	0.6
98.97578	0.5
98.97823	0.7
98.98461	7.1
102.05552	0.7
105.07020	1.3
106.86218	0.5
107.08601	3.1
108.08119	19.7
109.08912	1.3
110.09662	2.1
113.43397	0.6
114.05509	1.5
116.07091	0.9
119.08555	0.9
121.10025	0.8
122.09673	9.6
123.10432	2.1
124.11244	0.7
130.04999	1.1
133.10065	0.7
134.09688	0.7
135.11682	4.7
136.11206	2.9
142.04941	0.7
148.11118	0.6
148.74606	0.5
150.12782	22.8
151.13580	7.5
152.14339	8.2
163.03896	0.9
164.04242	1.6
174.99217	1.2
180.06493	0.5
190.15950	1.3
208.13344	1.6
210.07561	1.5
216.22125	0.5
228.12294	0.9
236.16403	1.4
238.10616	1.0
252.12296	2.3
266.92285	0.5
270.11002	0.7
282.16998	100.0
284.18378	2.5
301.49466	0.6
308.18741	1.0
314.54193	0.6
326.19617	76.4
327.20242	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	326.1962
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	2.5
55.01877	2.1
55.05515	13.5
56.53042	0.8
56.96560	3.1
57.03446	7.3
57.07071	4.0
58.03735	0.8
59.05006	2.4
59.56023	0.9
61.02922	3.1
65.03941	1.4
66.49038	0.8
67.05509	57.1
69.03431	3.6
69.07065	13.1
70.06596	16.2
70.07407	1.0
71.04599	1.9
71.04998	38.1
71.52338	0.9
71.52826	1.2
73.02916	1.1
77.03919	1.0
78.33669	1.0
79.05497	28.8
81.03412	4.7
81.07060	50.0
82.07394	2.2
83.04983	3.5
83.08598	5.6
84.04051	1.7
84.04513	22.8
84.08936	1.0
84.96028	1.2
85.02897	2.7
85.06541	2.6
91.05486	19.5
91.06031	1.9
93.07049	30.5
94.06549	1.1
94.07381	2.6
95.04970	11.9
95.08612	100.0
96.05302	1.1
96.08949	2.4
97.02902	9.2
97.06549	3.2
97.10195	2.0
98.06024	1.0
98.97609	4.7
98.98470	49.4
99.04464	1.4
99.97956	0.9
102.05550	8.9
103.05476	1.2
105.07041	19.1
107.04954	1.9
107.08604	21.5
108.08955	2.0
109.06532	6.5
109.10164	49.3
110.10490	1.5
111.08097	3.4
112.08469	1.5
113.09648	43.6
114.05576	2.3
116.07102	20.6
116.98663	1.8
117.03312	1.3
117.06984	2.6
117.90610	0.9
119.08592	27.7
121.02866	3.2
121.06568	4.7
121.10155	9.8
123.04481	1.0
123.08083	5.9
123.11722	4.2
130.04997	13.6
131.08556	1.3
133.10162	10.8
135.04443	0.9
135.11711	10.6
136.04761	1.2
136.12068	1.5
137.05977	1.7
137.09619	7.4
137.13272	2.4
140.01190	0.9
145.02867	1.5
145.10167	1.1
146.03235	1.6
147.11674	1.9
148.06056	31.9
149.13260	10.9
151.03972	6.5
151.14827	31.6
151.16054	1.7
153.04428	1.6
158.08159	1.8
158.99670	1.6
159.11801	1.4
161.13274	17.7
163.03885	8.6
163.14838	1.1
164.04265	10.0
164.07091	1.3
174.99211	7.0
177.00583	1.4
177.05501	2.6
177.16296	1.1
178.05835	1.1
179.14323	30.5
182.05472	0.9
196.13335	8.9
206.11732	1.7
251.00122	1.2
262.03326	1.8
284.06256	1.9
290.18375	1.8
290.25821	1.4
294.20673	14.3
301.64999	2.6
308.19061	1.3
308.22241	10.0
326.07349	1.2
326.10959	4.0
326.19681	46.5
326.23206	4.1
326.27621	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	326.1963
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05476	1.0
56.05007	0.8
57.03416	0.6
67.05466	0.7
68.04994	1.1
69.07034	1.4
69.41383	2.8
70.06567	0.8
71.04958	0.5
79.05505	2.7
79.26433	0.4
80.04982	1.1
81.03379	1.7
81.07054	2.5
82.06557	0.6
84.04511	6.0
84.08125	0.7
85.02457	0.7
85.02907	8.7
91.05442	1.2
93.07052	5.0
94.06557	1.1
95.04971	0.5
95.08588	1.1
96.08124	0.6
98.06055	0.4
98.98477	10.5
102.05527	1.0
105.07007	1.1
107.04965	0.4
107.08608	2.9
108.08130	21.3
109.08920	0.8
110.06046	0.4
110.09631	1.4
114.05486	1.4
116.07021	0.4
119.08546	1.4
121.10071	0.5
122.09686	10.7
123.10400	1.6
124.11140	0.4
130.05008	0.5
131.03381	0.7
135.11694	4.8
136.11227	3.1
137.67763	0.4
142.04988	0.8
146.07980	0.4
148.11203	0.6
150.12790	23.3
151.12447	0.7
151.13579	9.8
152.06949	0.4
152.14359	9.0
153.15067	0.4
154.15898	0.6
162.05341	0.5
162.12878	0.4
163.04007	0.6
164.04228	0.9
166.12210	0.5
174.99210	1.4
178.15884	0.5
180.06647	0.7
180.10178	0.5
182.11821	0.6
190.15842	0.5
191.08154	1.4
192.08572	3.0
196.16850	0.4
208.13322	1.9
210.07623	1.7
214.10788	0.5
222.07564	0.5
225.05560	0.6
226.10767	0.5
228.12320	1.0
236.16475	1.7
238.10736	0.9
252.12263	1.2
262.11600	0.4
264.15967	0.6
271.05997	0.6
282.17017	100.0
283.17322	0.6
284.18546	2.3
299.05585	1.5
308.13281	1.3
314.00632	0.5
326.19647	86.2
327.05057	1.7
327.20050	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	326.1824
Annotation	Unknow
Peak:m/z	Relative Intensity
57.04543	0.7
60.08163	0.4
70.06598	4.6
70.86329	0.2
70.86670	0.5
72.08166	0.4
73.88356	0.2
74.07207	2.5
84.08131	0.7
84.66720	0.2
92.05006	0.8
93.05811	0.2
94.06573	2.2
94.93006	0.4
95.11726	0.2
95.12453	0.2
109.42684	0.2
110.06052	0.6
112.08681	0.2
112.89593	0.2
115.08702	0.5
116.07098	2.6
124.33343	0.2
130.08633	0.6
130.65118	0.2
132.34705	0.2
133.09734	0.4
138.05510	100.0
139.05827	0.5
139.91380	0.2
144.11301	1.4
158.09277	0.8
158.43596	0.2
162.66312	0.2
172.10805	0.7
189.13481	11.5
189.15930	1.1
210.99695	0.4
224.95636	3.7
262.91232	1.2
326.04120	0.7
348.98077	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	326.1461
Annotation	Unknow
Peak:m/z	Relative Intensity
53.05305	0.2
54.90408	0.2
55.01865	0.3
55.12590	0.2
56.96558	0.3
57.03418	0.3
57.22594	0.1
63.95409	0.2
69.03401	0.3
70.06578	0.5
71.06116	0.3
71.51505	0.2
73.02924	0.2
84.08122	0.4
85.02898	0.7
89.03902	0.3
91.05466	0.2
96.05623	0.3
97.02898	0.3
98.98471	10.8
107.05000	0.2
110.07156	0.2
119.04930	0.2
120.08102	0.6
121.06497	0.3
122.02709	0.4
124.05083	6.4
127.03934	0.3
131.04948	0.2
132.87460	0.2
133.29048	0.2
135.04414	0.3
142.06139	1.6
145.02780	0.2
149.04602	2.9
149.05792	0.4
151.03940	0.3
151.09799	0.5
152.04243	0.4
159.04404	1.2
163.03908	1.8
164.04169	0.2
164.07033	0.3
166.08723	0.2
167.05658	3.2
174.99214	1.7
176.09337	0.3
179.08003	0.8
188.07008	0.2
194.10379	100.0
195.10721	0.6
236.06158	0.2
251.00043	0.2
326.11548	0.3
326.14490	0.7
326.17737	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2739
Annotation	Unknow
Peak:m/z	Relative Intensity
52.44576	0.6
53.03936	1.3
55.01867	1.6
55.05510	6.8
56.96573	3.1
57.03427	2.9
57.07082	3.2
59.04995	1.1
63.02393	0.7
67.05508	8.3
69.03085	0.8
69.03426	7.2
69.07071	25.3
71.04986	2.7
71.08623	0.9
71.52482	1.0
73.02895	1.0
79.05498	6.3
81.03421	7.1
81.07058	26.1
82.07401	1.1
83.04968	1.3
83.08626	7.6
85.02908	5.5
85.06567	3.9
89.03915	5.6
91.05473	5.5
93.07045	11.3
95.04981	3.5
95.08611	20.9
97.02879	4.5
97.06525	3.4
97.10186	3.4
98.97596	5.8
99.04457	1.3
99.08128	1.4
100.74640	0.6
103.05461	1.8
105.07035	7.0
107.04960	3.1
107.08592	10.0
109.02877	1.8
109.06519	5.9
109.10167	11.8
111.08081	6.2
111.11710	5.1
112.99107	0.8
113.05987	2.5
116.98656	1.0
117.03386	8.8
117.07041	1.2
119.08596	5.0
121.06461	1.4
121.10140	9.7
123.04456	1.2
123.08050	2.4
123.11700	11.9
125.09612	2.5
127.03849	0.8
129.07002	0.8
131.00204	1.3
131.04945	3.1
131.08589	1.3
133.02811	1.2
133.06514	4.2
133.10138	3.3
135.04419	21.6
135.08083	1.1
135.11691	5.3
137.02344	2.0
137.05963	4.4
137.09583	1.5
137.13257	3.7
139.11197	6.3
141.09114	1.2
145.02855	12.7
145.06468	1.0
145.10118	2.4
147.11684	2.4
149.05952	0.9
149.09679	1.1
149.13292	4.0
151.07532	0.8
151.11176	1.9
151.14827	1.1
153.12755	2.8
158.99693	1.9
159.11691	1.9
161.05988	2.7
161.13266	1.7
163.03909	100.0
163.07536	3.3
163.11186	1.3
163.14815	1.4
164.04277	0.9
165.12711	3.0
167.14328	0.8
169.12198	1.4
173.01274	1.2
175.07564	2.2
175.14859	1.4
177.00757	0.8
179.17979	0.7
181.04982	2.6
181.12224	1.6
183.13824	1.0
185.62233	1.0
187.03937	0.9
189.05502	1.8
189.16412	0.8
191.18124	0.7
203.18053	1.3
215.03381	1.6
219.01883	1.1
244.99771	0.9
263.64551	0.7
271.16977	0.6
271.24249	2.1
277.25330	1.0
283.06067	2.9
289.17938	2.6
289.25137	3.9
291.63525	0.9
295.26401	0.6
300.64218	3.7
301.14511	2.0
305.01727	1.0
307.08136	5.8
307.18985	1.7
307.26331	8.5
325.07092	2.3
325.10529	1.4
325.16556	8.8
325.20352	0.7
325.27432	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2738
Annotation	Trixagotriol
Peak:m/z	Relative Intensity
52.68890	1.4
53.03936	2.7
55.01868	2.6
55.05513	10.2
56.96553	4.4
57.03439	3.0
57.07066	5.9
59.04997	3.2
67.05498	16.3
69.03434	7.1
69.07068	62.8
70.76834	2.4
70.77157	2.0
71.04981	4.4
73.02904	1.8
79.05495	12.3
79.44872	1.2
80.78979	1.4
81.03391	5.6
81.07056	51.7
83.04964	4.2
83.08618	8.5
85.02886	4.2
85.06535	6.0
89.03905	6.9
90.96266	1.5
91.05480	9.8
93.07049	24.5
93.07628	1.8
95.04981	7.7
95.08610	41.1
97.02877	5.0
97.06544	7.5
97.10148	7.0
98.97581	9.4
99.08083	2.5
101.05996	1.9
105.03381	1.4
105.07033	15.5
107.04942	4.2
107.08593	19.0
109.02844	1.8
109.06502	5.7
109.10164	25.5
111.04337	1.3
111.08092	7.7
111.11715	17.8
114.40601	1.3
116.98594	2.3
117.03385	8.3
117.06994	2.5
119.04890	2.0
119.08578	10.0
121.06494	2.9
121.10150	21.3
123.04430	10.6
123.08072	2.4
123.11722	24.4
125.09626	3.4
131.08549	2.7
133.02850	4.2
133.10149	7.5
135.04428	15.2
135.08067	3.7
135.11688	8.6
137.02313	4.3
137.05949	1.6
137.09579	2.4
137.13290	6.9
139.03909	6.2
139.11176	20.7
143.00206	2.5
143.08589	1.7
145.02831	11.0
145.06412	1.6
145.10144	6.8
147.04448	2.1
147.11731	6.7
149.13261	6.2
151.11157	4.9
151.14824	2.4
152.56827	1.3
153.12738	4.7
155.10652	2.4
158.99698	3.1
159.11700	3.2
161.13228	2.7
163.03902	100.0
163.11234	1.9
163.14828	3.9
164.04236	9.9
165.12752	7.8
169.12163	2.2
169.15906	2.3
170.99634	1.4
173.13229	1.8
175.07593	3.4
177.00748	2.2
177.16403	2.6
181.12219	2.5
183.13737	1.5
187.11101	1.8
187.14954	1.8
189.05409	3.0
189.16425	2.1
193.12239	1.5
201.00568	1.9
201.16345	1.5
209.01045	1.9
215.17813	1.4
219.01709	3.1
227.02158	2.2
259.60794	1.4
265.08789	1.4
271.24185	2.7
277.25128	2.1
283.06000	6.4
289.18094	1.8
289.25256	10.5
307.08081	5.4
307.16241	1.5
307.23038	2.0
307.26318	21.3
324.56949	2.3
325.06982	21.7
325.10675	7.7
325.16290	14.1
325.27368	3.1
333.05377	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2375
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	8.4
55.01876	19.2
55.05266	4.4
55.05515	45.4
56.77256	2.7
56.96565	5.5
57.03432	9.7
57.07066	5.3
59.04985	5.9
65.03948	3.3
67.05508	71.1
69.03430	11.0
69.07076	33.9
70.04080	36.3
70.63683	5.6
70.64011	2.9
70.67235	2.8
71.04998	26.0
71.87018	2.7
73.06570	4.0
77.00917	4.7
79.05496	55.3
81.03434	16.6
81.07059	100.0
82.04214	2.9
83.04993	17.8
83.08612	21.5
85.02899	6.8
85.06543	13.9
87.04440	3.3
91.05485	54.0
93.07050	56.8
95.01954	4.3
95.04980	40.3
95.08605	42.7
97.02888	5.6
97.06546	28.2
97.10178	25.6
97.98428	3.1
99.04458	6.3
99.08104	6.6
100.02483	18.9
105.07036	54.2
107.04942	19.1
107.08586	47.9
109.06513	26.3
109.10165	43.6
111.04431	5.3
111.08091	9.0
115.05464	3.6
115.07600	4.6
117.07019	15.4
118.03484	7.7
119.08591	58.6
121.06522	12.8
121.10148	23.7
122.07259	5.1
123.04143	6.6
123.08076	23.5
123.11730	6.6
125.05992	4.6
125.09627	18.3
129.06979	10.8
131.08575	25.8
133.06500	7.4
133.10114	33.6
135.04361	5.2
135.08038	18.5
135.11714	17.0
137.09624	58.0
138.10422	7.5
141.05107	4.8
143.08548	10.4
145.06503	4.8
145.10123	26.9
147.08083	10.0
147.11731	23.9
147.49451	3.1
149.09639	13.1
149.13206	6.5
151.11214	6.2
155.08609	4.3
157.10146	16.7
159.08049	11.9
159.11679	18.1
161.09653	6.8
161.13268	8.6
163.03918	17.9
163.07439	4.1
163.11191	10.8
165.09103	5.2
165.12875	4.2
167.10744	3.3
167.14278	4.2
169.10133	7.4
171.11699	8.5
173.09612	6.9
173.11816	5.1
173.13249	5.7
174.09198	13.1
175.09476	16.2
175.11076	6.4
175.14857	4.0
181.13036	5.2
183.11684	8.6
185.13326	5.5
187.11217	3.5
187.14845	7.9
189.11290	7.2
189.16286	4.0
193.12282	4.0
195.11771	4.6
197.13326	4.5
199.14662	4.6
201.09621	7.4
213.12848	2.9
213.16507	4.5
215.14445	4.6
221.15311	3.4
222.14326	3.7
223.15021	7.2
223.65146	3.9
225.16304	3.0
232.15631	7.1
233.15419	3.7
233.18991	3.5
237.14748	3.8
239.11011	4.7
239.13078	4.9
239.18094	4.2
239.29356	3.1
240.15504	6.8
245.14644	5.9
247.20583	4.2
249.15866	4.2
249.18433	5.0
251.66248	12.8
257.12360	8.4
257.19037	9.4
261.18643	4.7
263.16229	4.8
265.66013	3.7
268.21335	3.5
271.16931	4.9
274.66360	4.8
275.16962	4.2
275.20059	79.3
283.05859	4.0
283.66953	12.8
289.18008	23.5
289.21542	7.1
292.67599	12.6
293.18228	5.0
293.21082	3.6
301.68106	16.2
302.18213	10.6
302.68066	4.7
304.18271	12.8
304.68369	4.6
307.19052	21.7
307.22708	35.4
307.26126	6.4
313.18900	5.5
313.68808	4.2
325.06891	4.9
325.10934	6.0
325.14697	16.2
325.19800	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	325.2374
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	3.9
55.05513	19.5
57.03418	4.4
57.07066	4.9
59.05001	2.0
61.53643	1.8
65.94890	1.9
66.35169	1.7
67.05504	37.2
69.03415	8.2
69.07074	21.5
69.94196	3.4
69.94597	7.5
71.04980	7.8
71.08636	31.3
73.34795	1.7
79.05508	14.8
81.03452	4.3
81.07063	28.9
83.04966	8.1
83.08606	8.0
85.02909	11.1
85.06549	2.6
91.05482	19.0
93.07045	24.6
95.04987	14.2
95.08608	69.8
97.06544	4.4
97.10148	5.7
99.04450	3.9
99.08099	27.1
105.07027	12.8
107.08599	14.1
107.82644	1.8
109.06520	22.8
109.10165	22.3
110.61232	1.7
111.08076	3.5
113.06001	3.7
117.07040	3.3
119.08591	14.9
121.06499	7.3
121.10132	8.1
123.08067	7.7
123.11752	3.3
125.09658	2.3
127.11187	3.0
131.08597	9.0
133.10112	13.3
135.08034	6.7
135.11681	4.2
137.09627	17.1
139.11171	6.7
141.09158	2.3
143.08540	2.4
145.10104	6.8
147.11687	3.6
149.09610	5.8
149.13191	2.6
151.11188	23.8
155.10674	36.6
157.10147	3.3
159.11691	5.0
161.09633	5.0
161.13315	2.4
163.11200	5.6
165.11423	3.0
165.12767	42.2
173.13301	2.9
175.11180	2.5
177.12781	10.9
181.15880	12.1
187.14920	2.2
191.14317	5.0
209.15352	2.0
223.13231	2.7
229.19423	4.2
243.20938	2.0
247.20399	3.5
248.69882	2.0
251.16403	4.6
251.20166	2.7
257.19052	3.0
261.22141	13.6
271.20605	4.0
275.20044	22.3
279.23257	6.1
289.21643	45.6
293.21136	41.9
307.22690	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2374
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	3.9
55.05513	19.5
57.03418	4.4
57.07066	4.9
59.05001	2.0
61.53643	1.8
65.94890	1.9
66.35169	1.7
67.05504	37.2
69.03415	8.2
69.07074	21.5
69.94196	3.4
69.94597	7.5
71.04980	7.8
71.08636	31.3
73.34795	1.7
79.05508	14.8
81.03452	4.3
81.07063	28.9
83.04966	8.1
83.08606	8.0
85.02909	11.1
85.06549	2.6
91.05482	19.0
93.07045	24.6
95.04987	14.2
95.08608	69.8
97.06544	4.4
97.10148	5.7
99.04450	3.9
99.08099	27.1
105.07027	12.8
107.08599	14.1
107.82644	1.8
109.06520	22.8
109.10165	22.3
110.61232	1.7
111.08076	3.5
113.06001	3.7
117.07040	3.3
119.08591	14.9
121.06499	7.3
121.10132	8.1
123.08067	7.7
123.11752	3.3
125.09658	2.3
127.11187	3.0
131.08597	9.0
133.10112	13.3
135.08034	6.7
135.11681	4.2
137.09627	17.1
139.11171	6.7
141.09158	2.3
143.08540	2.4
145.10104	6.8
147.11687	3.6
149.09610	5.8
149.13191	2.6
151.11188	23.8
155.10674	36.6
157.10147	3.3
159.11691	5.0
161.09633	5.0
161.13315	2.4
163.11200	5.6
165.11423	3.0
165.12767	42.2
173.13301	2.9
175.11180	2.5
177.12781	10.9
181.15880	12.1
187.14920	2.2
191.14317	5.0
209.15352	2.0
223.13231	2.7
229.19423	4.2
243.20938	2.0
247.20399	3.5
248.69882	2.0
251.16403	4.6
251.20166	2.7
257.19052	3.0
261.22141	13.6
271.20605	4.0
275.20044	22.3
279.23257	6.1
289.21643	45.6
293.21136	41.9
307.22690	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2373
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	8.0
55.01875	13.3
55.05514	36.2
56.96560	4.6
57.03428	10.8
59.04992	7.0
62.50631	2.5
67.05508	59.5
69.03419	8.2
69.07072	28.8
70.04076	12.2
71.04997	30.6
71.25008	4.0
72.08154	2.6
77.00896	5.3
79.05495	50.9
81.03414	9.9
81.07058	73.4
83.04978	11.1
83.08618	22.0
83.13367	2.4
85.02900	7.5
85.06540	6.5
86.09710	4.0
91.05482	50.3
93.07042	56.9
95.04974	29.2
95.08613	50.6
97.02894	4.3
97.06548	21.4
97.10167	19.4
99.04499	3.6
99.08089	5.9
100.02489	12.0
105.07034	65.2
107.04964	9.1
107.08602	43.7
109.06512	22.3
109.10151	33.4
111.08076	9.0
117.07019	12.9
118.03538	5.0
119.08588	61.4
121.06518	13.2
121.10152	26.8
123.04281	4.1
123.08091	21.2
123.11722	6.8
125.06012	3.5
125.09664	16.7
127.03887	3.2
129.07001	7.3
131.08571	28.0
133.06444	7.3
133.10129	44.2
135.04393	2.7
135.08073	16.6
135.11722	12.6
137.09618	31.9
139.11145	4.2
141.05116	5.0
142.07835	2.7
143.08575	11.9
145.10121	29.7
147.08122	6.3
147.11700	23.6
149.09581	14.6
149.13284	6.3
151.07578	3.8
151.11192	9.4
153.09160	2.8
157.10109	10.4
159.08058	12.6
159.11700	22.6
161.09674	6.8
161.13264	7.3
163.03873	12.8
163.07481	3.5
163.11185	11.2
169.10143	4.8
171.10474	2.5
171.11658	13.9
173.09637	3.8
173.13271	9.5
174.09122	6.4
175.09503	8.3
175.11066	4.7
179.10620	4.2
179.14285	3.0
181.12846	3.4
183.11720	4.1
185.13272	8.5
187.11188	2.8
187.14760	7.1
189.11258	6.2
189.16382	3.8
193.12228	3.4
195.11644	2.9
197.13309	8.2
199.14754	3.8
201.16409	3.5
211.14960	3.8
213.16479	4.8
219.13768	3.4
223.14938	5.3
223.65335	2.9
227.62805	2.9
229.19548	3.2
232.15645	3.3
233.15376	4.0
233.19041	4.1
235.16876	3.7
239.11189	4.9
239.17915	8.7
240.15381	7.6
247.20595	4.4
249.18524	5.5
251.66187	6.7
252.16341	4.9
257.12491	4.5
257.19028	9.3
261.18500	4.7
263.16312	3.6
263.65921	2.8
266.16107	3.7
271.16815	6.5
274.66345	4.7
275.20071	100.0
283.66971	6.7
289.18033	17.6
292.67538	10.6
293.17737	3.7
293.20911	6.8
293.93936	2.8
295.17975	3.1
301.68033	12.7
302.18210	9.1
302.67926	2.9
304.18311	8.5
304.68204	3.4
307.19058	18.3
307.22678	41.3
325.07394	2.8
325.14893	6.3
325.20392	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	325.2372
Annotation	Unknow
Peak:m/z	Relative Intensity
50.36527	2.9
53.03933	7.8
53.90280	2.7
55.01869	28.1
55.05510	54.7
57.03428	9.2
57.07066	13.9
65.03946	3.7
65.43958	3.3
67.05507	86.3
69.03426	5.7
69.07065	44.3
71.04984	6.3
71.08624	8.6
71.53454	3.9
79.05493	48.5
81.03407	12.7
81.07054	84.5
83.04980	15.4
83.08616	34.5
85.02880	4.5
85.06535	12.1
85.10155	8.1
91.05488	47.0
93.07039	56.2
95.04971	21.8
95.08605	59.8
97.02882	4.8
97.06528	12.3
97.10180	18.6
99.08098	6.7
105.03429	2.9
105.07025	45.6
107.04964	17.1
107.08591	50.1
109.06502	11.6
109.10159	53.4
111.04407	7.6
111.08062	9.1
113.09636	7.1
117.07011	9.4
119.08569	25.2
121.06526	17.9
121.10144	27.4
123.08078	13.9
123.11681	15.9
125.09642	29.0
129.06963	3.7
131.08594	19.5
133.06502	5.4
133.10127	57.1
134.66428	3.1
135.08018	9.2
135.11708	18.7
137.09607	18.4
141.09143	4.2
143.08553	6.6
145.10123	16.2
147.07965	3.5
147.11687	11.8
149.09624	15.3
149.13251	7.0
151.11174	50.7
152.79167	3.4
153.12695	4.5
159.11719	8.6
161.09590	5.9
161.13252	4.9
163.11194	26.5
165.09105	5.3
165.12784	8.1
167.10654	4.8
171.11671	5.2
173.09601	4.6
173.13269	5.6
177.12733	9.4
179.10638	5.1
181.12238	5.9
183.11697	4.0
183.13789	12.1
187.11122	6.4
191.10696	4.4
191.14340	5.8
195.13782	6.7
207.13774	3.6
209.11626	4.1
219.13817	6.0
229.19533	8.3
237.14856	3.9
239.18045	3.3
247.20660	16.7
257.19098	15.3
265.21600	9.3
275.20044	89.4
279.37976	3.3
293.21100	100.0
294.21207	3.7
296.68652	3.5
307.22699	32.9
316.00589	3.6
325.23660	18.9
325.27383	11.4
331.30957	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	Dihydromonacolin L acid
Peak:m/z	Relative Intensity
55.01873	2.2
55.05516	11.0
57.03425	0.9
57.07075	1.7
59.05003	1.1
62.06074	1.2
62.26645	0.8
65.76551	0.9
67.05510	11.3
69.03452	0.9
69.07080	5.3
69.47799	2.1
69.48211	4.3
71.04990	2.4
71.08631	0.9
73.06545	1.8
79.05496	10.1
79.05923	1.4
81.03423	1.4
81.07053	13.1
82.52210	0.9
83.08631	2.3
85.02914	0.9
85.06552	1.2
91.05481	6.2
93.07051	7.0
95.04971	2.2
95.08612	10.3
97.06535	3.2
97.10175	1.6
105.07024	8.6
107.04955	1.9
107.08585	6.7
109.06538	3.4
109.10166	3.5
111.08109	1.4
113.06039	1.9
117.07075	2.3
119.08581	6.0
121.06517	3.3
121.10148	5.0
123.08067	3.9
123.11700	1.4
125.05997	3.1
131.08607	5.2
133.10124	3.7
135.08044	4.3
135.11740	2.0
137.09622	2.4
145.10158	3.0
147.11678	3.4
149.09634	3.4
149.13171	0.9
151.11171	1.2
159.08107	1.1
159.11705	3.7
161.13249	1.5
163.11186	1.7
165.12811	1.5
173.13310	1.9
175.11264	1.1
177.12784	3.2
179.14362	3.0
181.12268	2.0
183.13846	2.6
191.14339	3.2
195.13832	1.5
205.15889	1.5
207.17496	3.1
219.20973	1.1
229.19510	2.2
237.14647	1.3
247.20714	1.4
253.71150	1.1
255.50755	0.9
257.19101	1.9
261.22159	5.8
263.19962	1.6
275.20142	6.1
279.23257	4.3
289.21603	2.6
293.21133	1.0
307.22687	100.0
308.22754	1.0
325.23792	5.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2374
Annotation	Dihydromonacolin L acid
Peak:m/z	Relative Intensity
53.03946	2.0
55.01865	3.6
55.05512	15.7
57.03432	3.4
57.07060	4.0
67.05507	21.1
69.03429	3.9
69.07069	19.7
71.04987	5.3
71.08633	21.3
72.59982	1.5
79.05493	13.6
81.03416	3.4
81.06591	2.2
81.07057	28.8
83.04969	6.2
83.08625	6.5
85.02891	4.4
85.06555	3.5
85.53980	1.7
91.05495	11.2
93.07040	16.2
95.04971	13.4
95.08609	35.9
97.06527	6.1
97.10177	3.8
99.08092	20.3
105.07037	11.7
107.04934	2.0
107.08601	12.1
109.06517	23.9
109.10175	13.4
111.04477	3.4
111.08063	3.8
113.06028	1.4
117.06995	1.7
119.08572	12.4
121.06514	7.4
121.10137	8.7
123.08061	5.9
123.11704	2.6
124.80763	1.4
125.05935	1.3
125.09648	2.0
127.11192	2.4
131.08574	6.6
133.09293	1.4
133.10106	9.8
135.08029	4.2
135.11685	2.8
137.09619	7.9
137.13269	1.7
139.11177	6.2
141.09082	2.2
145.10104	4.3
147.08038	1.8
147.11676	4.6
149.09627	4.5
149.13251	3.1
151.11195	13.2
155.10672	17.4
157.10176	1.5
159.11713	4.2
161.09634	2.5
161.13249	3.9
163.11162	4.9
163.14851	1.5
165.12755	39.5
169.10092	1.7
171.11638	1.7
173.13254	2.2
175.11267	1.8
175.14856	1.8
175.85100	1.3
177.12743	7.9
179.14386	2.4
181.15930	9.0
183.11696	1.6
189.11154	2.7
191.14326	4.8
201.12823	2.4
209.15265	2.0
223.13315	3.4
229.19659	1.9
229.48267	1.3
237.14941	3.0
251.16425	4.5
261.22177	14.6
271.20557	1.9
271.75491	1.4
275.20090	17.8
279.23273	5.0
289.18369	2.1
289.21634	41.4
289.24466	1.4
293.21094	26.8
306.41348	1.4
307.22681	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2122
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.6
55.01865	1.4
55.05504	2.1
56.05032	1.3
56.96547	0.9
57.03445	4.8
60.04534	4.8
61.02912	3.3
67.05489	1.3
68.05021	1.3
69.03435	10.4
69.07062	1.3
70.06576	2.5
71.04973	1.9
71.32173	1.1
71.32527	0.8
72.08164	4.4
73.02899	1.4
74.74763	0.7
75.04480	0.7
77.00002	0.7
79.05482	2.5
80.05021	0.8
81.03427	5.4
81.07044	2.3
82.06557	0.9
83.04995	0.9
83.08611	0.9
84.04510	10.1
84.08129	3.4
85.02906	47.8
86.06058	3.9
86.09694	1.1
87.04441	1.5
89.03890	1.2
91.03950	1.3
91.05494	4.0
91.77478	0.7
93.07077	4.9
93.07530	1.1
95.01263	0.9
95.04983	1.0
95.08601	2.0
96.08088	1.4
97.02899	7.0
98.09683	1.0
98.97574	1.1
99.04445	2.5
100.28087	0.7
102.05544	7.0
103.05451	1.0
105.07001	1.3
107.04916	1.6
107.08611	2.0
108.08121	42.5
109.02867	4.5
109.10137	1.0
110.07165	2.4
110.09677	4.2
112.03963	1.4
114.05518	1.3
117.03356	3.1
117.62656	0.9
118.06535	1.5
119.08576	3.2
120.08089	2.3
121.10200	0.8
122.09684	4.0
123.04406	1.4
123.10430	2.4
124.11240	1.0
127.03919	9.3
129.10234	1.1
130.05005	65.0
133.02850	2.2
133.06102	1.6
134.09612	1.3
135.04414	4.3
135.11685	6.2
136.07556	1.3
137.05975	1.2
138.09091	1.7
139.03951	1.1
139.05379	0.8
142.04976	1.6
145.02855	2.7
145.04971	11.6
145.06268	1.1
145.06462	1.1
145.07588	2.1
147.04436	1.0
147.09189	16.1
150.12790	11.7
151.03928	0.8
151.13562	2.9
152.14346	85.8
154.15883	3.5
157.82605	0.8
163.03920	23.8
163.06053	2.3
163.07437	1.4
166.12256	0.9
170.47838	0.9
175.11096	0.8
176.10628	1.0
178.15939	2.5
179.03429	1.0
180.03737	2.2
181.04994	1.0
186.06473	0.9
190.15970	1.2
191.08160	22.1
192.13939	1.3
195.04436	1.4
196.16982	23.1
201.79947	0.8
213.05435	2.0
235.18050	3.5
236.16594	1.0
264.15985	11.5
269.04437	2.0
281.15161	7.0
281.18588	100.0
283.20093	1.8
295.06183	0.9
297.03952	10.4
307.08105	1.9
307.12863	3.8
308.18533	2.4
325.03372	14.6
325.06821	4.0
325.14047	17.9
325.17804	3.8
325.21201	80.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2122
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	1.2
57.03442	0.8
68.05002	0.9
69.03414	2.0
69.07053	0.9
70.06575	1.6
70.39334	1.8
70.39724	1.7
72.08156	1.3
74.30490	0.6
79.05486	1.6
80.05000	1.2
81.03407	2.3
81.07043	2.5
82.06571	1.3
84.04498	11.4
84.72338	0.7
85.02908	13.4
86.06075	4.8
87.04469	0.9
91.05499	4.6
93.05700	0.7
93.07027	4.8
95.01333	1.5
95.08638	1.1
96.08120	1.3
97.02885	0.8
98.06050	1.7
102.05541	8.1
107.08608	1.8
108.08118	34.6
110.09673	3.7
113.02349	0.7
115.77198	0.8
117.03349	1.0
119.08568	5.7
122.09683	3.1
123.10439	0.8
124.11214	1.6
130.05000	71.2
133.06120	1.4
133.10089	1.8
134.09637	1.4
135.04407	2.3
135.11685	4.3
137.09543	1.3
138.09160	1.0
142.05020	0.9
145.02846	1.4
150.12761	9.9
151.13509	2.1
152.14343	81.7
154.15909	3.5
161.13181	1.0
163.03899	14.3
175.11252	0.9
178.15932	2.6
191.08243	2.0
196.16965	28.5
222.04175	0.8
235.18015	2.8
236.16331	1.1
237.19551	0.9
261.19608	0.9
264.15973	13.0
266.17401	1.4
279.20358	1.2
281.18594	70.1
283.20212	2.0
283.85153	0.8
303.04901	0.8
307.08072	1.1
307.19861	1.6
308.18573	3.2
325.21210	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2009
Annotation	Marrulanic acid
Peak:m/z	Relative Intensity
53.03944	9.4
55.01881	33.0
55.05518	37.0
57.03439	29.0
64.70599	4.0
65.03922	5.2
67.05511	84.1
69.07070	29.7
69.16139	3.8
69.40482	3.5
70.55264	13.8
70.55628	4.9
71.04977	6.1
79.05495	73.3
80.06271	4.7
81.03404	14.2
81.07053	81.6
83.04984	38.1
83.08614	7.1
85.06547	6.6
91.04904	5.3
91.05478	75.8
93.07043	60.9
95.04966	82.0
95.08611	40.3
97.02901	11.9
97.06509	9.8
97.10156	12.5
98.07299	5.5
103.05481	3.9
105.05937	4.1
105.07035	51.3
107.04952	93.0
107.05638	7.4
107.08596	26.5
108.05733	9.2
109.06507	43.6
109.10143	28.8
110.07325	4.5
111.04477	7.6
111.08083	4.7
112.05200	12.1
113.06010	6.2
115.05469	10.6
117.06999	42.2
119.04942	7.4
119.08576	32.7
121.06499	27.1
121.10160	12.3
122.07259	35.7
123.04449	13.1
123.08105	9.2
123.11676	4.5
125.05990	6.5
128.06241	7.3
129.07004	14.3
130.45470	3.7
131.08582	37.1
133.06491	27.1
133.10130	21.1
135.08023	16.1
135.11671	9.0
137.09625	34.6
141.07008	9.1
143.08563	13.6
145.06468	24.5
145.10071	13.3
147.08047	38.0
147.11688	7.8
149.09584	6.3
157.10133	5.4
159.07999	9.0
159.11687	7.9
161.09654	26.8
162.10410	4.7
163.11212	9.8
165.09108	14.8
169.10091	5.0
171.11700	8.4
173.13269	12.8
175.11182	9.0
187.14777	13.5
189.12761	10.3
197.13225	5.7
205.15918	12.4
206.60751	4.0
215.14369	14.3
224.15039	4.8
228.42816	4.3
233.15364	100.0
251.16539	23.6
273.18555	9.7
290.18646	22.0
291.19620	6.9
347.44778	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	325.2011
Annotation	Hynapene A
Peak:m/z	Relative Intensity
53.03938	4.0
55.01879	8.1
55.05273	1.3
55.05516	11.2
57.03450	9.1
57.07073	2.0
65.03948	2.5
67.05510	32.9
69.03414	3.7
69.07077	15.4
69.59981	5.8
71.04999	7.9
79.05016	1.2
79.05495	29.6
81.03420	5.8
81.07062	44.8
83.05003	6.4
83.08629	5.8
85.02905	1.5
85.06545	7.3
91.05488	21.6
93.06496	1.4
93.07054	23.6
95.04983	13.7
95.08612	18.5
97.02873	1.1
97.06536	100.0
97.10160	4.4
99.04462	1.6
99.08070	2.7
105.07034	20.9
107.04953	4.2
107.08600	18.1
109.02903	1.6
109.06527	21.8
109.09383	1.5
109.10162	26.1
109.10923	1.4
110.12067	0.9
111.04436	2.6
111.07378	1.1
111.08089	10.3
113.05989	8.0
115.07529	1.1
117.07005	4.9
119.04957	1.1
119.08582	7.9
121.06503	4.3
121.10133	8.0
123.04385	2.6
123.08080	5.5
123.11697	4.6
125.09615	3.2
125.13535	0.9
127.07529	1.5
129.07002	3.0
131.08589	6.7
133.06497	3.1
133.10133	26.0
135.08054	6.8
135.11691	2.8
137.05988	2.5
137.09637	5.9
139.07506	1.4
139.11160	2.2
141.09109	1.0
143.08542	2.3
145.06445	1.1
145.10092	3.6
147.08034	2.0
147.11667	3.1
149.09660	5.3
149.13266	1.3
151.07542	2.0
151.11186	11.3
153.09117	1.6
155.08578	1.8
157.10150	2.9
159.08066	2.6
159.11725	3.4
161.09599	4.2
163.03891	1.5
163.07503	1.7
163.11140	1.9
165.09122	1.9
165.12715	1.6
167.10680	2.1
169.12233	4.1
171.11717	1.1
173.09599	2.6
173.13275	2.1
175.11128	1.7
177.09157	1.6
177.12750	1.3
179.10654	2.5
181.12180	1.0
183.10181	2.9
187.11168	1.3
191.10628	1.0
193.12292	4.2
195.10168	1.6
205.12361	0.9
211.13231	2.0
215.12692	1.2
215.14545	1.1
217.12270	1.3
217.15819	1.1
221.11707	3.9
225.16402	1.2
233.15364	3.2
235.13358	1.3
243.17487	2.9
247.13338	1.0
261.18503	6.4
263.16690	1.4
269.15247	1.0
271.16974	6.3
272.17389	1.5
279.19485	1.8
289.18008	28.3
290.18250	1.2
291.19681	1.1
307.19070	16.0
325.20010	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	325.2009
Annotation	Albocycline M-7
Peak:m/z	Relative Intensity
53.03942	6.5
55.01877	16.7
55.05513	63.3
57.03440	29.8
59.05016	2.9
65.03932	4.0
67.05506	64.9
69.03429	13.1
69.07069	39.0
71.04992	15.4
79.05500	53.4
81.03410	14.1
81.07056	53.0
83.04986	15.4
83.08623	23.6
85.02899	7.0
85.06544	3.9
86.09709	14.2
87.10030	3.2
91.05479	37.6
93.03405	2.4
93.07046	36.0
93.14376	2.4
95.01318	6.7
95.04964	28.2
95.08605	28.8
97.02870	4.0
97.06535	46.6
97.10169	48.6
98.21535	5.3
105.07029	32.2
107.04967	29.8
107.08600	39.4
108.05737	2.5
109.02881	7.0
109.06513	23.9
109.10161	31.2
111.04436	6.1
111.08073	7.5
113.06019	4.1
115.07581	17.9
117.07016	18.5
119.08577	33.7
121.06516	24.8
121.10144	12.8
122.13170	2.5
123.04429	7.5
123.08060	17.2
125.05972	3.2
125.09628	39.0
129.06975	6.7
131.04921	3.0
131.08554	13.6
133.06480	4.5
133.10083	13.7
135.04517	3.0
135.07127	2.9
135.08063	32.3
135.11697	4.5
137.05948	2.7
137.09625	22.6
141.06873	3.5
142.07877	2.5
143.08565	7.2
145.06454	3.7
145.10091	10.2
147.08069	7.5
147.11726	16.2
149.09624	7.8
151.11223	5.2
152.11574	4.1
153.09109	3.4
157.10123	8.4
159.08061	90.7
159.11656	7.4
161.09618	8.9
161.13220	4.1
163.03929	11.6
163.07536	12.7
163.11168	5.7
169.10083	4.4
171.10182	5.2
171.11656	5.5
173.09613	4.6
173.11797	4.2
173.13181	3.0
175.11180	5.5
177.09103	6.1
183.11633	3.3
185.09659	7.2
187.14778	3.2
189.09445	2.9
189.11209	21.7
189.12752	4.3
193.12201	5.0
199.11156	3.0
211.13364	3.6
215.14366	5.2
219.13730	3.7
221.11771	5.2
225.16428	4.0
229.08170	2.4
233.15352	12.1
237.14851	12.8
239.12854	5.6
243.17386	8.3
253.15840	26.9
257.18982	2.7
261.18457	9.5
263.16144	2.8
271.16925	36.0
275.19955	11.9
279.21405	5.0
289.17966	100.0
291.19580	3.2
307.19061	80.9
307.22345	3.4
325.19897	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	325.1393
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.7
55.01872	2.1
55.05490	0.5
57.03444	3.0
61.02913	0.8
61.06195	0.5
66.75954	0.4
69.03431	15.6
69.45042	3.3
70.06569	0.5
71.01344	1.0
71.04999	4.7
72.08153	0.9
73.02919	1.0
75.04462	0.6
81.03421	17.2
81.07022	0.5
85.02902	1.3
86.29843	0.5
91.05498	2.1
93.07069	0.5
95.04987	0.6
99.04454	6.0
109.02837	0.7
116.04902	0.8
117.03400	0.7
117.05502	1.8
118.06552	4.0
119.08578	1.5
123.04469	0.9
135.04399	1.4
145.02875	1.1
145.06554	0.8
145.07616	6.4
147.08116	0.8
147.09180	8.0
152.14203	0.5
159.07903	0.5
162.07892	0.9
163.03906	8.4
163.08730	1.2
173.07117	11.0
175.08679	6.0
175.11082	0.6
190.07391	0.5
191.08159	100.0
193.12364	0.5
203.08057	0.6
205.09630	0.8
213.10368	0.7
222.68179	0.4
231.11441	0.7
233.09222	1.4
236.33426	0.5
240.98380	0.4
243.11243	0.5
267.15424	0.4
271.10883	0.5
281.15063	0.8
281.18253	0.5
289.11670	2.4
297.04483	0.7
300.28210	0.4
307.12903	33.6
325.03503	1.4
325.13916	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	325.176
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	0.7
53.31271	0.4
55.01865	0.6
56.96564	1.3
57.03437	1.1
59.04976	0.5
64.15421	0.5
65.03927	0.7
67.05492	1.6
69.03416	1.4
69.55331	2.2
69.55741	0.8
70.06594	2.3
70.09399	0.4
71.05002	1.1
72.04510	1.7
72.08149	0.7
74.31577	0.4
75.60357	0.5
80.05016	0.4
81.07047	0.4
82.17747	0.4
84.08149	11.6
85.02922	2.2
85.06536	0.5
89.03946	0.6
91.05473	0.6
95.04964	1.1
95.06071	0.5
97.02906	1.0
98.09676	1.2
98.21519	0.6
98.97585	0.7
107.04971	0.5
108.02114	0.9
108.08127	4.7
111.04411	1.1
114.12793	1.9
118.06539	0.4
119.04946	0.5
121.02843	0.9
121.08896	1.2
122.09684	1.2
123.04442	1.8
123.05527	1.3
123.08078	0.5
127.03916	1.3
127.07575	0.5
130.08632	5.4
130.12267	2.3
134.09694	0.8
135.04420	1.2
136.07605	1.3
136.11209	0.7
137.02380	0.8
137.05000	0.5
137.05997	1.5
137.08366	1.3
140.33371	0.4
141.05505	1.4
141.06564	1.4
145.02855	0.7
145.04877	0.4
146.06010	0.8
148.07573	0.9
148.11197	0.7
150.06674	0.7
150.09140	0.7
151.03917	100.0
151.05014	7.6
162.09232	0.6
163.03915	6.7
164.10678	0.5
165.11464	1.2
166.08603	1.4
166.12291	6.0
169.06122	1.2
175.14429	13.0
178.12291	1.7
179.11856	0.9
180.13812	1.7
188.07097	1.5
192.13840	2.1
193.09911	0.8
194.10356	1.9
206.06628	0.7
208.12094	1.9
222.11313	0.7
222.14960	0.7
223.10728	0.6
224.12900	1.0
224.16003	0.4
225.12383	0.7
231.02910	1.2
234.86092	0.5
235.14360	1.0
237.16017	6.0
244.09592	0.8
252.11125	0.9
258.10138	0.5
262.10818	0.4
263.13943	1.0
263.17532	1.0
264.12360	4.0
266.11282	0.6
266.13837	0.8
279.17072	1.0
281.14984	12.4
281.18481	1.2
283.16592	0.7
289.11777	0.5
291.10812	1.0
307.08051	0.5
307.12955	1.9
307.16571	1.5
308.14966	0.6
312.03381	0.5
325.17609	84.8
326.17926	0.9
343.04419	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.1394
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.7
55.01870	2.0
56.35600	0.5
57.03442	2.6
61.02928	1.0
61.70523	0.5
69.03436	15.1
69.50013	3.3
70.06597	0.7
70.20497	0.5
71.01367	1.2
71.05009	5.0
72.08139	0.6
73.02911	0.6
79.05486	0.6
81.03419	16.1
81.07042	0.7
82.33681	0.4
84.08141	0.6
85.02898	1.4
91.05492	2.5
95.04992	0.8
95.08651	0.5
98.20763	1.0
99.04472	7.3
117.03426	0.6
117.05501	1.6
117.07005	0.5
118.06550	5.4
119.08592	1.3
123.04447	1.0
130.05002	0.6
135.04419	1.9
137.05899	0.5
145.02797	1.3
145.06551	0.9
145.07620	7.0
147.04425	0.6
147.05516	0.6
147.08119	0.4
147.09177	8.3
152.14319	0.7
158.91367	0.5
162.07899	0.9
163.03897	9.6
163.08665	1.1
165.50647	0.5
167.10718	0.7
173.07121	11.2
175.08725	6.3
175.11179	1.0
191.08167	100.0
193.12285	0.7
204.09358	0.5
231.11258	0.5
233.09258	1.1
237.29128	0.5
271.10977	0.6
289.11801	1.8
297.03720	0.6
307.12900	35.7
315.92728	0.5
325.03488	1.1
325.07043	1.2
325.13913	34.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.092
Annotation	Skimmin
Peak:m/z	Relative Intensity
53.00306	0.2
53.03933	1.0
55.01865	0.5
55.05495	0.8
56.96556	0.8
57.03417	0.9
59.19822	0.2
61.02905	0.3
63.98038	0.3
65.03933	0.4
65.38753	0.2
67.05509	2.3
68.99809	0.3
69.03430	4.3
69.07061	2.2
70.46004	0.3
71.04984	0.7
71.52908	0.4
73.02927	0.3
79.05491	2.5
81.03419	7.5
81.07055	2.9
83.04970	0.6
83.08606	0.5
84.04513	0.3
85.02902	3.6
85.06531	0.3
89.03912	5.9
91.05479	1.7
93.03397	0.3
93.07047	2.3
95.04961	0.9
95.08614	2.7
97.02882	1.1
97.06513	1.2
97.10176	0.3
98.97637	0.3
99.04446	0.9
105.07017	1.8
107.04959	2.3
107.08598	2.2
108.08140	0.3
109.02864	2.2
109.06518	0.8
109.10160	2.3
111.04440	0.9
111.08085	0.4
117.03381	8.7
117.07001	0.3
119.08575	1.2
121.10149	1.3
123.04433	0.4
123.08037	0.5
123.11724	1.3
125.09644	0.5
127.03900	1.3
130.04968	0.5
131.08549	0.3
133.02856	0.5
133.10126	0.6
135.04417	16.1
135.08102	0.4
135.11711	0.6
137.05981	0.4
137.13280	0.4
139.03908	13.0
139.11217	0.7
141.99709	0.3
145.02847	12.2
145.04018	0.6
145.10123	0.5
147.07762	0.3
147.11673	1.1
149.13297	0.8
153.07005	0.9
157.06462	0.3
157.10103	0.3
161.13271	0.4
163.03902	100.0
163.14815	0.3
164.04247	0.8
165.12761	0.5
175.07558	1.2
175.11192	0.8
177.05603	0.3
181.05026	2.7
181.06509	0.6
187.07542	0.3
187.14664	0.3
193.12257	1.4
198.20944	0.3
199.07587	1.1
261.04309	0.4
261.18503	0.3
271.17160	0.3
279.05640	0.4
283.05988	0.9
289.18146	0.6
293.03262	0.5
295.06082	0.9
296.06992	0.4
297.06870	0.4
307.08075	6.7
307.16138	0.7
307.19452	0.3
307.26315	0.6
310.08743	0.3
325.10587	8.8
325.16330	4.9
325.20258	0.3
325.27280	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.0921
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	1.1
54.45478	0.3
55.01854	0.6
55.05509	0.8
56.27970	0.3
56.96565	0.6
57.03422	0.9
67.05527	1.5
69.03429	4.3
69.07066	1.4
69.82549	1.2
71.04974	0.6
71.48283	0.3
73.02899	0.5
79.05483	2.4
81.03421	10.0
81.07065	1.8
83.08596	0.4
85.02446	0.3
85.02908	4.0
85.06546	0.4
88.03934	0.3
89.03914	6.1
91.05475	1.6
93.07060	1.9
95.04958	0.6
95.08609	3.5
97.02903	2.1
97.06542	1.1
97.10159	0.4
98.20850	0.6
98.97556	0.5
99.04457	0.9
99.91751	0.4
103.05505	0.5
105.03305	0.3
105.07051	1.5
107.04980	2.1
107.08591	1.0
109.02886	3.6
109.06523	0.9
109.10127	0.7
111.08057	0.5
115.05450	0.6
117.03378	10.1
117.07060	0.8
119.05813	0.3
119.08572	1.3
121.06483	0.4
121.10110	0.7
122.03606	0.4
123.11714	0.3
127.03917	1.2
129.06958	0.4
131.04950	0.9
131.08577	0.5
132.05717	0.5
133.02846	0.7
133.06369	0.3
133.10068	0.4
134.10146	0.3
135.04422	17.4
135.08037	0.4
137.05981	5.8
139.03935	1.5
139.11214	0.7
141.06992	0.7
145.02850	13.1
145.03885	0.4
145.06564	0.4
145.10143	0.5
147.08051	2.1
147.11684	0.5
157.06558	0.4
159.08176	0.3
160.05183	0.4
161.05896	0.5
163.03903	100.0
164.04239	0.5
169.06461	1.4
175.07547	7.4
175.11127	0.4
181.04977	2.8
189.09128	0.6
193.12244	1.0
199.52292	0.4
201.09077	0.8
203.12784	0.4
205.06648	0.4
233.09557	0.5
261.18588	0.7
283.05969	0.4
289.17920	0.5
293.08038	0.9
293.11450	0.4
307.08099	9.6
307.19308	0.4
325.09995	2.8
325.14365	4.3
325.20209	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	324.2169
Annotation	(-)-Jasmonoyl-L-isoleucine
Peak:m/z	Relative Intensity
55.05518	1.9
57.07082	0.8
67.05514	3.4
69.07072	9.1
70.04074	4.7
71.17258	0.7
71.17624	0.4
79.05502	3.6
81.07059	8.0
83.04992	3.3
83.08616	1.0
85.62326	0.5
86.09708	100.0
91.05485	8.9
93.07047	10.8
95.04971	2.7
95.08623	2.9
97.06528	0.5
105.07037	13.8
107.04965	0.9
107.08591	2.5
109.06528	8.4
109.10175	1.6
111.08088	3.4
119.08588	5.3
121.10128	1.3
123.08086	1.2
128.10707	5.5
129.07013	1.0
131.08582	3.8
132.10214	30.6
133.06505	1.3
133.10132	17.8
135.08078	0.5
142.07695	0.7
147.08090	0.6
147.11696	12.2
149.09619	1.9
149.13254	1.2
151.07588	3.2
151.11185	41.6
156.10190	1.4
157.10286	0.6
165.12766	2.2
171.15195	0.6
175.11205	3.9
186.31808	0.4
189.30261	0.4
193.12225	4.6
210.14993	0.8
222.14970	1.4
260.20093	6.8
278.21161	31.6
306.17206	0.5
306.20654	7.9
324.14700	2.0
324.21686	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	324.1958
Annotation	Carbazoquinocin E
Peak:m/z	Relative Intensity
50.27532	0.2
51.02353	0.2
51.87212	0.2
53.03955	0.5
55.05504	0.2
56.96550	0.4
64.64123	0.2
67.05500	0.3
69.07063	0.3
77.03926	0.3
79.05495	14.4
81.07074	0.4
83.08630	0.2
91.05477	0.6
93.07047	1.5
95.04959	0.6
98.97603	0.2
103.05468	31.8
103.92455	0.2
104.38269	0.2
105.04528	0.2
105.07045	2.3
106.43422	0.2
107.04955	17.6
107.08573	0.2
118.06538	3.9
121.06498	1.3
123.08108	0.2
128.98703	0.2
131.04927	10.2
131.08516	0.4
132.08090	1.6
133.08881	0.9
134.09621	0.3
146.09627	1.7
149.05962	0.8
160.11208	0.5
163.03925	0.3
176.14345	43.8
177.14648	0.3
189.15128	0.4
190.08640	0.4
191.03442	0.4
233.14088	0.6
266.11694	0.3
269.10434	0.3
280.13251	0.2
281.61050	0.2
324.19568	100.0
325.19901	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	324.1075
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	1.2
57.03409	1.0
60.04529	8.8
64.46975	0.8
67.05492	3.6
69.03090	1.2
69.03429	15.1
69.07065	1.2
69.60214	5.7
70.06573	2.1
74.00668	1.1
79.05495	1.9
83.06102	0.9
84.08150	2.4
85.02890	1.7
87.00836	1.7
88.48615	0.8
91.05482	2.7
95.04955	3.6
98.97572	1.0
105.03394	5.6
107.04953	14.8
109.02875	1.2
110.07159	3.7
111.04427	1.1
117.03367	1.4
118.06516	1.0
119.04932	2.1
120.08084	2.4
123.04444	6.4
123.05189	1.1
124.07574	1.0
129.05482	10.4
130.04984	1.0
133.02847	24.4
134.03653	0.9
135.04419	0.9
135.06813	1.0
136.07579	4.0
137.07886	2.9
139.05020	1.1
145.02829	2.9
146.06053	1.5
147.04395	3.9
147.09203	2.1
151.03902	12.4
155.08987	1.6
161.02348	14.5
163.03929	2.2
164.07074	1.5
177.05469	5.7
179.03403	100.0
190.09766	1.1
191.08043	1.6
195.11290	1.8
280.89664	0.9
324.05914	8.8
324.10516	42.9
324.15359	4.2
325.03619	1.3
327.07639	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.2945
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	43.0
57.07077	49.6
60.58417	5.8
67.05490	20.9
69.06732	7.7
69.07073	100.0
71.04968	5.3
71.08640	52.7
79.05475	10.5
81.07056	71.0
83.04984	8.7
83.08632	53.1
85.10200	30.6
85.34447	6.0
91.05482	15.4
93.07043	22.2
95.08612	53.9
95.46750	4.9
97.06543	17.0
97.10162	43.8
98.21499	18.3
98.97592	14.7
99.11712	7.5
105.07046	27.6
107.08591	28.6
109.10143	44.5
111.08081	6.4
111.11696	30.4
115.07547	12.9
119.08586	13.5
121.10140	14.7
123.08106	9.8
123.11687	27.5
125.13294	7.1
127.07587	8.1
129.09119	7.0
133.10127	31.6
135.11728	15.3
137.09636	7.9
137.13263	12.6
141.09117	9.2
143.10661	7.4
147.06616	5.5
147.11696	17.6
151.11205	14.6
153.12816	6.5
161.13249	16.2
165.12743	22.0
169.12134	8.6
175.14883	12.8
179.14322	31.4
179.17953	5.1
183.13841	13.0
189.16431	6.2
193.15895	12.6
193.19652	7.0
197.15376	8.1
217.19598	6.1
249.22144	7.3
258.99838	8.5
263.27350	13.2
287.27280	11.5
291.19580	9.8
305.21591	5.7
305.28293	7.2
342.33438	6.2
344.01080	6.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.2582
Annotation	Pacificanone A
Peak:m/z	Relative Intensity
53.03944	2.6
54.99572	0.7
55.01866	1.3
55.05307	0.7
55.05514	8.5
56.96570	4.1
57.03439	5.7
57.07067	2.2
59.04998	1.9
65.03941	1.1
67.05511	15.9
68.63309	0.9
69.03426	5.0
69.07074	28.5
71.04985	3.9
71.52931	1.1
77.03957	1.0
79.05061	1.5
79.05499	16.7
81.03425	2.5
81.07064	29.0
83.04987	3.2
83.08614	3.3
85.02904	3.0
85.06554	1.5
91.05486	12.4
93.07048	44.0
95.04982	7.3
95.08614	42.5
97.02899	10.8
97.06543	6.0
97.10167	2.8
98.97623	4.2
99.04478	1.0
99.08095	2.5
105.04540	1.3
105.07040	10.0
107.04965	2.0
107.08606	15.9
109.06544	5.0
109.10162	14.1
110.97601	0.8
111.04436	0.9
111.08086	3.4
111.11736	4.9
116.98632	2.3
119.04958	1.1
119.08584	9.9
120.08096	0.8
121.06515	3.8
121.10149	35.7
122.10469	1.1
123.08095	5.4
123.11704	5.1
125.09644	4.8
131.00215	1.6
131.08618	5.3
133.10155	3.5
135.04425	0.8
135.08092	4.3
135.11734	4.6
137.06084	1.4
137.09624	5.5
137.13251	3.0
139.07530	1.0
139.11163	9.8
145.10164	2.7
147.08087	0.9
147.11696	3.0
148.05203	1.9
149.06032	1.1
149.09616	7.8
149.13281	2.3
150.37910	1.0
151.07535	1.2
155.10725	3.5
158.99702	2.2
159.11688	2.5
161.05966	1.0
161.09683	1.9
161.13266	1.5
163.04001	1.2
163.07545	6.8
165.12782	4.6
167.10693	18.6
169.10147	1.0
171.11792	1.1
173.13347	1.1
175.14830	2.2
177.16389	1.1
179.10727	1.3
181.10588	0.9
187.14838	1.0
189.00739	0.9
191.07043	34.7
227.12762	0.8
231.21530	1.2
269.22757	2.7
275.23755	1.0
287.23764	4.1
291.10135	1.0
291.19623	1.1
292.14377	1.5
300.14218	2.2
305.17593	2.0
305.24731	9.3
311.59735	1.4
323.14700	100.0
323.25858	27.9
324.14926	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.2581
Annotation	12S-HETrE
Peak:m/z	Relative Intensity
53.03934	3.2
55.01862	5.4
55.05514	35.3
56.96572	19.3
57.03418	4.8
57.07071	22.2
57.98224	1.7
59.04983	7.2
65.03934	3.7
67.05502	53.8
69.03426	10.8
69.07069	80.1
69.93007	7.5
71.04997	9.3
71.08617	6.0
73.59342	1.8
75.58328	1.8
79.05495	28.6
81.03405	7.6
81.07056	100.0
83.04967	8.4
83.08153	3.5
83.08626	63.3
84.08141	4.6
84.08946	2.5
84.96050	3.1
85.06552	9.9
91.05481	53.6
93.06489	3.1
93.07048	53.9
95.04956	17.5
95.08607	86.5
97.02899	13.7
97.06529	14.6
97.10180	14.0
98.21479	2.7
98.97583	37.6
99.04458	2.9
99.08078	4.7
102.95793	2.0
105.07037	31.9
107.04942	6.4
107.08596	61.5
109.06522	19.8
109.10159	74.1
111.04492	2.7
111.08093	10.0
111.11705	7.5
112.99151	6.8
113.05976	5.0
116.98639	13.6
117.07010	6.3
119.04954	2.6
119.08581	28.1
121.06499	8.8
121.10158	35.3
123.04444	3.5
123.08049	9.0
123.11707	23.8
125.05968	3.8
125.09610	7.6
125.13289	2.8
129.06998	3.0
131.00166	10.2
131.04901	2.8
131.08556	11.0
133.06479	5.0
133.10132	38.9
134.99629	2.5
135.04401	9.9
135.08046	7.3
135.11694	22.7
137.05975	4.1
137.09628	46.4
137.13249	16.2
139.11200	3.6
143.00157	2.9
143.08566	6.3
144.97974	2.2
145.10107	5.8
147.08049	12.7
147.11697	19.7
149.01244	3.6
149.05989	10.9
149.09651	10.0
149.13280	22.6
151.07510	3.4
151.11191	4.9
151.14806	2.6
153.09091	4.3
155.10649	2.3
157.10179	5.4
158.99612	13.4
159.11720	5.2
161.05991	5.4
161.09625	38.0
161.13246	6.3
163.03926	6.7
163.07512	6.1
163.11205	3.7
163.14828	4.3
165.09113	30.0
165.12804	3.3
166.77611	2.0
167.10684	12.4
167.14326	2.5
170.99599	4.2
171.11752	3.2
173.01244	17.5
173.02518	3.3
173.09660	2.2
173.11670	4.0
173.13158	3.0
175.11169	6.8
175.14830	10.9
177.00726	8.2
177.12694	2.6
177.16393	5.6
179.10667	29.1
179.17949	1.8
181.12244	6.2
183.10110	3.8
184.97620	2.6
189.00700	2.9
189.12758	2.7
189.16449	4.7
190.06305	2.5
191.02168	10.2
191.06998	13.1
191.17929	6.2
193.12250	14.5
193.15823	2.8
199.14697	3.4
201.00705	3.6
202.98648	4.7
203.14380	3.2
203.18015	2.7
206.05847	4.3
207.13872	2.4
209.18971	5.3
211.13239	4.1
213.16449	5.3
215.06468	6.3
215.56548	2.3
217.15833	2.5
219.01749	5.6
221.08044	9.8
227.12784	2.9
231.17429	3.1
235.17021	3.0
237.00699	2.3
244.97252	2.8
244.99678	16.9
245.22690	14.4
249.14836	4.1
249.18417	4.6
259.24207	9.8
261.25787	3.3
263.00940	2.8
263.23718	4.4
269.15131	2.4
269.22699	8.1
277.25159	3.0
279.26877	3.9
287.16321	4.5
287.23596	14.1
291.19623	2.6
292.14273	3.2
305.17426	14.3
305.24713	24.8
323.09155	2.5
323.12958	4.1
323.18591	8.8
323.22345	5.6
323.25815	70.1
324.18356	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	323.258
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	2.0
55.01844	1.0
55.05513	6.8
56.96561	3.6
57.03421	2.9
57.07066	1.4
59.04991	0.8
65.03931	1.3
67.05512	8.7
69.03422	4.2
69.07074	21.5
71.04992	2.9
73.02911	0.7
79.05061	1.0
79.05492	9.6
81.03405	1.5
81.06590	1.2
81.07058	19.6
83.04984	1.2
83.08628	4.3
83.94341	0.7
84.96027	0.9
85.02898	2.6
85.06531	2.0
87.04456	0.7
91.05486	9.4
93.07050	26.7
93.99031	0.7
95.04964	5.3
95.08611	26.5
97.02899	7.0
97.06541	4.1
97.10159	2.2
98.97588	5.5
99.04477	1.0
99.08105	1.6
103.05483	0.7
105.03432	0.9
105.07022	7.3
107.04964	1.7
107.08601	10.6
109.02845	0.7
109.06524	4.2
109.09474	0.8
109.10166	8.4
110.97599	0.6
111.04523	0.8
111.08064	1.8
111.11724	2.2
112.99129	1.4
116.98580	1.0
117.06993	0.9
119.04955	0.8
119.08594	5.9
121.06506	1.9
121.10152	23.5
121.11034	1.2
123.08057	3.4
123.11747	4.1
125.06002	0.7
125.09645	4.1
127.03938	0.7
131.08597	3.9
133.06557	0.9
133.10100	3.7
134.51175	0.6
135.08061	4.1
135.11665	3.2
137.09616	2.9
137.13295	1.9
139.03964	0.8
139.11218	5.0
141.06972	1.0
143.00192	1.4
145.10150	2.3
147.11662	2.4
148.05183	2.0
149.05989	0.7
149.09647	3.6
149.13257	2.5
151.11237	0.9
153.12753	1.2
155.10677	1.4
157.10164	0.9
158.99590	1.4
159.11697	1.2
161.05945	0.7
161.09613	0.9
161.13258	1.2
163.07526	3.9
165.12759	2.6
167.10674	9.9
169.12460	0.7
171.11658	0.7
173.01236	1.5
173.13254	1.2
175.14842	1.1
177.00780	1.0
179.10658	1.0
185.11755	1.2
185.13275	0.9
187.18866	0.8
190.11082	0.9
191.07037	20.2
207.85239	0.7
244.99854	1.0
269.22723	2.2
271.13922	0.8
277.13736	1.1
287.08981	0.9
287.23700	1.7
292.14377	1.5
293.24680	0.8
300.14078	1.3
305.17578	2.1
305.24820	6.2
323.14673	100.0
323.25888	20.0
324.14899	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.2217
Annotation	4alpha-Hydroxy-18-norgrindelic acid
Peak:m/z	Relative Intensity
53.03931	0.7
55.01860	2.7
55.05519	9.0
57.03436	4.2
57.07058	0.8
61.69041	0.7
62.06063	0.8
67.05502	10.3
69.03421	1.9
69.07063	5.3
69.38099	6.2
71.04993	1.8
73.06544	2.0
79.05492	11.4
81.07051	10.3
81.98852	0.8
83.04982	1.3
83.08610	2.1
85.06533	3.1
91.05482	9.1
93.07042	9.1
95.04962	6.0
95.08612	9.5
95.80769	0.7
97.06525	2.4
97.10150	2.1
98.97559	0.9
99.08080	1.7
105.07029	11.3
107.04953	2.3
107.08595	6.4
109.06525	6.1
109.10152	2.6
111.04433	1.9
111.08095	1.5
112.05225	0.8
113.06004	10.5
117.07036	4.9
119.04974	1.0
119.08579	8.5
120.08466	0.7
121.06508	9.9
121.10146	3.3
123.04428	2.3
123.08068	3.5
125.05989	4.7
125.09623	1.0
126.06776	3.7
129.06996	3.5
130.07800	1.1
131.08563	7.2
131.36472	0.7
133.06503	2.5
133.10155	6.2
135.08044	10.1
137.06007	3.7
137.09610	3.5
139.07529	0.9
142.07790	1.0
143.08574	3.5
145.06502	1.3
145.10127	6.1
147.08051	5.9
147.11708	4.0
147.20111	0.7
149.09575	3.8
151.07547	2.1
151.11163	1.0
153.09131	0.9
157.10121	3.4
159.08171	1.0
159.11685	3.2
161.09561	5.6
161.13208	1.8
163.11130	3.7
165.09131	1.4
165.12794	0.8
169.10162	1.2
171.11711	3.4
173.09612	0.8
175.11166	6.9
177.12782	3.1
185.09633	1.4
185.13283	2.0
187.11212	0.8
189.12740	1.6
190.13490	1.0
191.10600	0.7
191.14331	0.9
193.12292	2.2
199.11230	1.3
203.14316	2.1
205.15883	2.6
207.13785	5.7
217.15840	1.2
219.17485	0.8
227.18018	2.2
237.14668	1.2
245.19113	2.0
255.17545	1.4
255.50714	0.8
259.20560	3.7
263.16428	4.0
273.18451	7.6
277.21695	4.0
287.20010	3.4
291.19586	4.6
305.21115	100.0
323.16013	1.5
323.22116	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.2219
Annotation	Unknow
Peak:m/z	Relative Intensity
51.32127	1.9
53.03937	8.5
55.01882	16.4
55.05517	31.0
57.03425	8.0
57.07071	4.2
59.05054	1.9
65.03936	5.2
67.05515	80.0
67.05875	3.9
69.03425	7.3
69.07072	28.7
69.25670	17.0
70.74065	1.9
71.05001	4.3
78.13955	1.9
79.05080	3.0
79.05504	54.5
81.03416	4.7
81.07064	85.3
83.01337	3.4
83.04993	27.3
83.08630	12.1
85.06533	8.5
91.05489	59.7
93.06480	3.7
93.07056	66.1
95.04977	15.5
95.08617	46.8
96.04501	4.5
97.06540	12.0
97.10148	3.2
98.04270	1.9
99.08089	2.4
103.05499	2.4
105.07038	52.3
107.04978	17.4
107.08601	50.9
109.06524	16.3
109.09476	3.7
109.10165	53.2
111.04429	8.7
111.08091	11.5
117.07030	12.3
119.04984	2.7
119.08585	25.0
121.06519	21.6
121.10139	17.0
123.04409	5.2
123.08083	9.6
123.11724	15.5
125.06059	2.8
125.09689	4.0
128.06194	2.9
129.06990	7.3
131.08585	22.2
133.06512	17.4
133.10144	86.7
135.08067	9.2
135.11697	14.0
137.05986	5.7
137.09589	8.8
139.07529	11.4
141.09140	2.9
143.08542	11.2
145.10147	13.3
147.08052	18.1
147.11719	11.3
149.09621	19.1
149.13205	3.4
151.11200	80.6
153.09125	4.0
157.10104	6.9
159.08058	5.1
159.11731	7.3
161.09639	17.1
161.13254	6.8
163.11200	5.5
165.09145	2.7
169.10138	2.3
171.11699	10.4
173.09645	2.9
175.11205	8.1
175.14771	2.0
177.09094	12.9
177.12759	2.7
179.10667	17.1
179.14326	2.8
181.08614	3.7
181.10057	2.3
181.12204	2.8
183.13823	32.9
185.13329	3.4
187.11194	3.2
189.12788	7.4
199.11244	3.4
201.12703	2.2
203.14304	4.4
207.13731	2.5
211.13379	3.1
213.16434	3.2
217.12308	3.7
223.13376	2.4
227.17902	5.7
229.14250	4.9
245.19106	15.9
255.17456	5.4
263.20090	21.1
273.18491	54.5
291.19556	100.0
305.21152	20.5
323.18759	2.6
323.22263	42.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.2216
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	4.0
54.53840	1.7
55.01874	17.5
55.05513	33.7
56.96568	1.9
57.03445	9.8
57.07074	4.4
59.08789	1.7
65.03925	3.6
67.05508	76.3
69.03419	7.6
69.07065	22.7
69.77897	11.1
71.04980	6.6
73.06563	3.2
77.03925	2.1
79.05492	48.6
80.73029	2.0
81.03409	6.5
81.07056	92.3
83.01344	3.9
83.04502	2.1
83.04981	35.6
83.08632	13.4
85.06544	12.7
91.05485	57.1
93.07047	64.5
94.86715	2.1
95.04977	12.7
95.08603	35.7
97.02863	2.0
97.06522	10.0
97.10146	5.9
99.08096	4.3
103.05535	2.2
105.07033	57.9
107.04954	15.9
107.08591	54.5
109.02941	2.3
109.06506	15.0
109.10159	58.0
111.04427	8.7
111.08092	11.4
115.05444	3.3
117.07022	10.4
119.08573	25.4
121.06499	12.4
121.10149	19.2
123.04431	3.7
123.08065	10.4
123.11717	19.5
125.06000	2.2
125.09617	3.6
127.07535	3.6
129.07008	7.7
131.04944	2.5
131.08571	20.5
133.06496	17.1
133.10133	100.0
135.08028	11.8
135.11722	13.7
137.06017	2.6
137.09601	5.8
139.07521	6.1
141.09113	2.0
143.08546	8.0
145.06523	2.4
145.10138	13.0
147.08023	10.2
147.11687	7.4
149.09613	15.4
149.13206	3.5
151.11183	97.4
155.08575	2.5
157.10109	6.9
159.08069	3.7
159.11659	4.0
161.09659	13.1
161.13239	5.7
163.11169	6.8
165.09198	5.0
171.11685	7.3
173.09514	3.7
173.13322	2.4
175.11192	9.5
177.09116	14.8
177.12727	3.8
179.10664	10.5
181.08612	3.3
181.12221	3.6
183.13795	33.9
185.13210	3.7
189.12761	5.9
193.12149	3.5
203.14348	2.3
207.13840	4.2
211.13274	3.5
213.16447	2.2
227.17982	4.6
229.14319	7.2
235.13287	2.8
245.19005	18.7
255.17476	6.0
263.20123	12.8
273.15848	3.4
273.18509	40.4
277.00815	2.7
277.21835	2.2
291.19547	60.5
305.21146	25.7
323.22235	32.2
323.25739	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	323.2218
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	1.0
55.01887	3.2
55.05514	20.3
55.53303	0.6
57.03425	0.7
59.05005	1.0
61.53308	0.6
67.05508	14.6
69.03427	4.5
69.07074	14.3
69.80285	3.4
71.04970	0.9
74.04086	0.6
77.99870	0.6
79.05068	1.1
79.05495	14.2
81.03419	3.1
81.07060	13.0
83.04970	1.8
83.08617	10.4
85.06533	0.9
91.05480	8.2
93.07044	10.7
93.07579	1.2
95.04414	0.6
95.04975	3.4
95.08608	8.3
97.02898	3.2
97.06536	1.6
97.10175	15.8
98.97566	1.5
105.07028	8.2
107.04962	4.1
107.08608	10.0
109.06494	0.9
109.10133	3.2
111.08102	1.3
117.07030	4.1
119.04977	1.5
119.08591	5.2
121.06535	2.0
121.10140	3.5
122.88570	0.6
123.08080	3.7
125.08776	1.0
125.09637	13.7
129.07016	1.9
131.08585	4.9
133.06494	2.9
133.10132	2.1
135.08102	3.4
135.11676	1.3
137.09610	1.8
141.07004	0.7
143.08565	1.9
145.06487	1.2
145.10133	3.6
147.08069	4.0
147.11711	1.4
149.09648	1.9
153.09132	3.0
157.10086	1.9
157.12245	1.0
159.11681	2.1
161.09668	1.6
162.10382	0.7
163.11252	1.1
165.09081	2.1
171.11632	1.0
173.11761	0.8
175.11182	2.1
184.64159	0.6
187.11345	0.7
189.11282	0.6
199.11115	0.7
203.12787	7.4
204.81485	0.6
205.12334	0.7
223.13309	11.9
237.14708	1.4
249.14851	1.1
255.17445	1.2
273.18533	6.9
275.01639	0.6
291.19550	100.0
305.21109	18.3
323.22141	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	323.1604
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	0.8
55.05516	0.9
56.96563	1.1
67.05510	1.0
69.07095	0.5
70.06596	0.9
70.64249	1.2
72.08152	0.4
77.03943	0.6
79.05489	3.3
80.05044	0.5
81.05820	2.3
81.07055	3.1
84.08148	0.4
86.09713	0.5
87.45898	0.4
91.05474	1.5
93.07050	1.3
94.06570	0.9
94.12256	0.4
95.04964	0.7
95.08607	1.2
96.08140	8.7
97.02927	0.7
97.06570	0.5
98.00136	0.5
98.20813	0.4
98.97569	1.0
105.07008	1.1
106.06554	1.4
107.08610	0.6
109.02859	0.5
122.06013	1.3
124.07598	34.1
124.12062	0.4
131.08582	0.9
133.10136	0.5
135.04410	0.7
136.07585	54.0
138.09142	1.8
140.07028	0.5
143.00111	0.6
145.02756	0.5
145.10150	0.6
147.04391	0.6
163.03957	0.6
164.07074	100.0
177.05438	0.6
177.97075	0.4
182.08139	87.2
183.08559	0.7
215.07176	0.5
220.75340	0.4
239.66219	0.4
241.05394	0.5
277.15610	0.5
288.12311	0.5
305.14886	1.0
306.13431	1.0
323.05423	1.1
323.09122	1.4
323.15100	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.1856
Annotation	alpha-Zearalanol
Peak:m/z	Relative Intensity
50.72456	0.8
52.34794	0.6
53.03931	2.5
55.01627	0.7
55.01873	5.5
55.05511	12.9
56.96575	1.1
57.03432	3.6
57.07067	1.1
59.04993	1.6
59.07146	0.6
60.55516	0.7
62.20300	0.6
65.03928	1.1
67.05185	1.2
67.05508	14.2
68.84460	0.7
69.03416	2.7
69.07073	4.1
70.04082	5.8
71.04998	1.6
79.05498	9.0
81.03423	1.7
81.07051	9.2
82.33839	0.6
83.01307	0.7
83.04990	1.1
83.08617	7.8
85.06532	1.0
89.70709	0.7
89.91551	0.6
91.05483	12.1
93.07040	13.6
94.17374	0.7
95.04978	4.4
95.08607	5.7
97.10177	10.6
98.97587	2.2
99.08080	1.1
103.05472	3.2
105.04542	1.0
105.06255	0.6
105.07043	4.4
107.04954	3.5
107.08601	7.9
109.02843	0.8
109.06516	8.1
109.10164	12.4
111.08053	1.0
116.98632	1.1
117.07006	2.3
119.04867	0.7
119.08579	6.6
121.06506	6.7
121.10150	1.6
123.04450	4.2
123.07200	1.2
123.08063	17.4
125.09634	9.0
129.06970	1.0
131.08536	2.1
133.06506	1.4
133.10088	1.2
135.08061	16.6
135.11691	0.8
137.09621	3.9
138.99464	1.6
139.99770	1.2
143.08571	1.0
143.10580	0.8
145.10103	1.1
147.08070	2.2
149.05983	100.0
155.10635	4.7
157.10135	1.6
161.06020	1.4
161.09592	0.8
162.51784	0.7
163.07585	1.7
163.40695	0.7
165.09160	1.3
168.11386	2.5
169.11653	1.5
173.11746	24.6
175.07573	2.8
175.11162	0.8
183.10165	3.0
183.11620	0.9
185.13272	0.6
189.11201	8.4
191.06984	1.0
195.11624	0.8
203.14273	0.8
213.12849	0.7
231.13741	3.1
236.09094	1.2
241.15947	0.9
254.10287	2.2
258.99713	1.1
259.16946	2.1
277.00842	0.6
277.17654	4.6
287.16452	10.4
305.12347	1.4
305.17496	28.2
305.20990	1.0
323.13486	1.8
323.18719	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	323.1603
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96571	5.2
57.03434	2.6
61.01118	2.3
63.57178	2.1
67.05506	3.2
69.03414	5.1
70.06577	4.8
71.04984	2.4
71.52280	3.5
72.08163	3.7
72.10406	2.3
79.05476	2.9
81.03413	4.0
81.07068	2.3
83.04959	2.7
84.04534	3.4
84.08147	80.6
85.02905	5.5
86.09688	8.0
89.03933	2.9
91.05475	2.4
93.07038	5.2
94.06532	4.6
95.04961	3.2
96.04494	4.4
97.02914	3.0
99.04441	3.1
106.64387	2.1
107.04952	3.0
108.08124	18.2
110.06040	3.1
117.03327	4.0
118.06526	4.6
119.04990	3.4
119.07309	4.2
120.08076	10.1
121.06480	3.4
122.06020	3.5
123.04436	3.7
123.05552	6.5
124.07574	12.4
129.10184	2.4
133.02805	3.8
135.04410	5.7
136.07578	100.0
137.05988	2.7
140.03378	3.2
140.07039	3.8
142.08636	13.5
145.02800	7.0
146.06015	6.7
147.04384	8.1
147.06810	2.8
148.07565	5.5
149.05997	3.6
152.07060	8.6
154.04938	3.7
154.08582	6.5
161.02158	6.4
162.05516	6.1
163.03922	18.7
164.07147	44.0
166.08545	3.5
168.02637	2.4
173.10745	5.8
173.32451	2.1
177.05464	13.0
178.05818	3.3
185.04309	12.3
196.11348	2.6
196.59132	2.4
197.10754	2.7
198.11349	7.8
205.04944	3.3
208.09721	2.4
213.10202	6.5
221.05978	8.6
225.10207	3.6
226.11052	10.4
235.11604	3.5
240.12779	2.3
241.09721	4.6
241.13426	24.0
249.05472	5.5
249.08524	3.8
253.34122	2.4
254.10477	4.1
259.14322	25.2
259.16577	3.5
262.11136	9.1
269.10312	3.0
269.12872	33.3
277.15472	3.8
287.13870	36.9
291.09940	2.6
295.05972	6.4
298.30371	2.2
305.14966	90.7
305.18472	5.0
323.05457	15.2
323.06802	10.2
323.11349	26.5
323.16263	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	322.2013
Annotation	Croomine
Peak:m/z	Relative Intensity
52.35789	0.3
53.03941	0.3
55.05499	1.1
56.05021	0.5
63.11322	0.3
65.03936	0.4
67.05187	0.4
67.05506	5.1
67.26572	0.3
68.05033	2.5
69.07043	0.9
69.39021	2.3
69.98024	0.2
70.06593	9.0
71.04993	0.3
79.05489	3.9
80.05007	1.0
80.06263	0.4
81.07055	4.5
82.06573	0.4
83.08615	0.6
91.05476	2.6
92.50756	0.3
93.05775	1.1
93.07038	2.0
94.06554	1.1
95.04944	0.4
95.08603	2.5
96.08090	0.3
98.97575	0.3
100.07626	1.7
105.07014	1.7
106.06538	3.6
107.07335	0.5
107.08616	1.4
108.08116	2.3
109.10144	0.6
114.05515	3.6
117.06995	0.9
118.06555	0.7
119.07309	0.5
119.08561	1.1
120.08112	4.4
121.10119	0.6
122.09686	0.7
128.07079	2.1
131.08566	1.2
132.08032	0.4
133.08864	0.9
133.09999	0.4
134.08662	0.6
134.09648	8.6
135.10426	1.1
136.11209	0.7
140.07031	0.4
145.10074	0.4
146.09622	0.7
147.11552	0.4
148.11212	8.6
152.07120	0.7
152.10667	0.6
154.08614	1.2
162.12791	0.6
164.07066	6.5
165.07848	0.6
166.08609	0.8
178.08632	2.2
179.09373	0.9
180.10193	15.3
184.48396	0.3
192.10152	0.4
193.10963	0.9
194.08105	0.7
194.11794	1.1
219.09726	0.4
232.17058	0.3
258.18512	1.9
260.20068	0.4
274.17865	0.4
276.19574	9.3
286.17957	0.4
294.20490	0.5
302.17493	0.8
304.19061	16.5
320.18466	0.5
322.20111	100.0
323.20404	1.2
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
53.03944	2.6
55.01869	4.7
55.05505	4.1
57.03428	7.3
65.03939	2.0
67.05508	7.6
67.62026	1.0
69.03426	6.8
69.07061	5.2
71.04976	1.3
71.52785	1.4
78.61993	1.2
79.05068	1.9
79.05499	21.4
81.03433	1.6
81.06584	2.5
81.07058	36.4
83.04977	4.0
85.02914	6.2
91.05481	11.1
93.07049	10.8
94.06567	1.9
95.01348	9.4
95.04990	6.6
95.08606	2.9
97.02876	1.8
97.06529	13.5
98.97587	1.6
99.08150	1.3
101.02390	1.4
105.07036	3.6
107.04958	4.6
107.08579	3.9
109.06524	18.9
109.10165	4.2
111.00809	1.3
111.04462	2.6
111.08073	2.4
113.02338	1.9
115.05458	1.4
117.07021	5.6
119.04945	5.5
119.08592	9.3
120.08102	1.5
121.02888	2.5
121.06511	6.9
121.10116	1.4
122.06038	2.9
123.04431	3.8
123.08076	2.6
125.06021	4.3
129.06975	1.9
131.08527	5.6
135.04485	2.5
135.08081	6.4
136.07677	1.7
137.06009	6.0
137.07938	2.3
137.09627	1.6
139.03911	9.5
139.07507	2.9
141.01820	3.0
143.07086	1.7
145.02875	3.0
145.06485	2.5
147.08055	8.3
149.05992	3.4
151.03839	2.2
151.07530	2.3
155.07043	3.6
159.02881	2.5
163.03870	5.9
163.06184	1.7
163.07565	8.8
164.04280	1.7
164.07059	2.9
165.09114	18.7
167.07063	3.3
173.04428	2.7
173.05948	1.4
173.11729	3.4
175.07574	4.4
177.05533	3.6
181.07181	1.7
181.08548	7.6
183.10191	2.5
191.07040	3.4
192.94887	1.2
193.08607	21.6
195.06612	1.5
197.04491	5.4
199.09665	12.3
209.08122	10.9
211.09628	10.9
219.06451	1.7
225.07608	1.3
227.09131	8.4
237.07541	6.2
241.10715	2.4
255.08636	100.0
256.08948	1.4
269.10168	5.5
273.09720	4.6
287.11160	3.8
304.13644	8.1
322.08661	1.2
322.16580	2.8
322.20178	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	322.144
Annotation	Pyriproxyfen
Peak:m/z	Relative Intensity
51.02378	0.2
53.03952	0.8
55.01866	0.2
58.91985	0.1
67.38544	0.1
68.12801	0.2
77.03944	0.4
78.03454	1.8
82.36225	0.2
89.05989	0.2
91.05486	1.3
95.04973	0.9
96.04494	100.0
97.04818	0.3
103.05499	0.2
105.04508	0.5
105.07034	1.9
107.04971	0.2
107.07030	0.2
115.05463	0.7
119.04946	7.1
128.06238	0.7
129.07008	7.1
133.06482	2.0
134.07274	7.2
135.07674	0.2
136.07587	1.3
141.06981	1.2
151.09702	0.3
151.85237	0.1
153.07036	0.3
155.06041	0.2
157.06470	1.4
170.07285	0.3
181.06464	0.3
185.05983	13.4
186.06775	0.4
194.07271	0.3
199.07582	1.5
199.11263	0.4
209.09627	0.4
227.10669	10.7
254.05086	0.2
322.14386	4.4
322.17883	0.3
336.46106	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	322.1438
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02388	0.6
52.52649	0.2
53.03947	1.3
63.95641	0.2
71.08624	0.2
71.37937	0.5
77.03929	0.4
78.03462	1.4
79.05492	0.6
87.95640	0.2
89.07960	0.2
91.05484	2.3
93.07055	0.3
94.04160	0.6
95.03760	0.3
95.04977	1.5
96.04493	100.0
99.52406	0.2
103.05457	0.6
105.04549	0.6
105.07032	6.9
106.07798	0.4
107.04956	1.0
115.05471	1.6
117.07059	0.3
119.04945	11.0
121.06518	0.3
125.08373	0.2
128.06233	1.2
129.07011	9.0
133.06503	5.3
134.06221	0.4
134.07275	15.5
136.07582	20.0
137.70792	0.2
141.06987	3.1
141.56752	0.2
142.07826	0.4
143.08566	0.4
153.07018	0.4
157.06488	1.6
159.07957	0.3
165.07111	0.3
166.07773	0.6
169.06474	0.4
170.07341	0.8
171.07976	0.5
181.06471	0.7
181.10118	0.6
185.05977	16.6
186.06750	0.7
187.07556	0.4
191.08665	0.4
194.07335	1.0
197.05846	0.3
198.06755	0.3
199.07574	2.4
199.11250	0.3
209.09630	1.1
212.08372	0.5
227.10670	18.7
322.14386	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	322.0954
Annotation	Unknow
Peak:m/z	Relative Intensity
52.58274	1.0
55.01850	1.1
56.96550	1.8
57.03422	2.8
60.04525	1.6
61.02920	4.3
69.03433	7.7
69.07053	3.2
70.06576	2.9
70.99578	8.7
71.52149	1.1
71.52557	1.4
72.08154	20.3
72.89028	1.0
73.30518	1.0
77.96889	1.1
81.03410	4.7
84.08128	1.2
85.02906	22.1
89.03930	1.5
91.03967	1.8
91.05476	1.1
94.65990	1.2
97.02889	9.5
98.00000	1.7
98.00640	26.9
99.04440	3.3
109.02894	1.9
115.07554	1.6
116.01665	8.6
116.07077	1.7
116.15092	1.0
117.03400	6.3
120.35889	1.1
123.08058	1.4
124.01337	1.7
124.02184	20.9
127.03942	5.2
135.04395	1.1
137.05959	1.3
139.03897	1.7
142.03223	83.8
142.08632	4.7
143.07014	3.9
145.02850	20.5
145.04941	4.7
149.06009	2.3
160.04285	100.0
160.09674	2.2
162.07547	1.3
163.03955	5.9
177.05472	36.4
184.09697	1.8
234.11249	23.3
236.80429	1.0
251.13876	4.5
305.15445	1.5
305.18591	8.6
322.09540	2.5
322.14832	2.9
322.21249	23.4
333.84381	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.993
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96563	0.4
57.03417	0.3
61.02911	0.2
63.74977	0.1
71.24899	0.1
71.50761	0.2
73.02899	0.5
82.99846	0.2
85.02893	0.3
97.02874	0.4
98.97594	1.9
101.00908	0.8
116.98638	1.1
119.01933	1.2
122.97836	0.2
123.98600	0.2
134.99722	0.3
137.03004	0.2
140.98837	0.3
143.01918	0.2
155.01909	0.2
158.99907	1.7
164.98792	0.2
173.02956	0.2
177.00955	9.1
178.01048	0.3
182.93071	0.1
182.99840	2.1
183.01242	0.2
196.95447	0.2
201.00940	9.5
202.01248	0.2
202.93384	0.2
214.00732	0.2
214.96555	2.0
216.98630	0.2
219.02011	100.0
220.02139	1.9
220.94795	0.2
221.02463	0.6
224.02528	0.4
236.99635	0.4
237.02991	0.2
238.95493	2.9
242.03601	5.0
256.97195	10.2
257.97238	0.2
258.99915	0.2
261.02795	0.2
261.97147	0.2
262.95901	0.6
272.25226	0.2
274.94281	0.5
274.97714	1.2
276.04666	0.2
277.00739	0.4
279.98267	1.4
280.96606	2.1
289.99600	0.2
297.99384	0.3
298.43991	0.2
298.97726	42.2
299.18842	0.5
299.97818	1.0
303.98343	0.5
307.92770	0.4
308.42896	0.2
309.96292	0.3
316.95447	0.3
316.98715	0.3
318.94977	0.3
319.43851	0.6
319.94406	0.2
321.99316	6.0
328.44412	0.4
328.94556	0.2
340.77243	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.2062
Annotation	Unknow
Peak:m/z	Relative Intensity
51.43548	0.7
52.84497	0.7
53.03921	0.9
55.01868	1.3
55.05507	3.9
55.52272	0.7
56.96544	1.6
57.03431	1.3
61.16590	0.8
65.03927	1.3
67.05501	7.5
69.03407	2.4
69.07042	3.6
69.30089	7.1
71.04972	1.3
71.16007	0.9
79.05500	7.3
81.03399	2.8
81.07055	12.6
83.04962	3.3
83.08590	1.9
84.08129	1.6
84.95994	1.0
85.06489	0.9
88.56518	0.7
91.05488	11.2
93.07044	14.2
94.07378	0.8
94.63189	0.8
95.04960	4.4
95.08613	7.8
97.02859	3.3
97.06527	9.9
98.97575	2.0
105.06391	1.0
105.07037	12.7
107.04949	0.9
107.08595	10.7
109.06521	8.1
109.10162	6.7
111.08083	100.0
115.05431	1.3
117.07001	2.8
119.04873	1.3
119.07811	1.2
119.08576	12.6
121.02861	0.9
121.06532	5.2
121.10133	7.0
123.08081	19.9
123.11657	1.8
125.06007	1.1
125.09607	1.1
129.06958	3.2
131.08575	8.2
133.06473	1.0
133.10139	9.3
135.07141	1.2
135.08051	13.6
135.11676	3.4
137.05952	1.2
137.09621	11.6
139.07509	1.1
141.06927	1.0
142.07765	1.9
143.08543	3.4
145.10110	7.0
146.43718	0.8
147.04366	2.7
147.08044	12.8
147.11691	8.7
149.09622	21.5
149.13101	1.0
151.11226	1.9
155.08554	1.6
157.10109	4.4
159.08040	1.9
159.11674	4.7
161.09584	2.9
161.13271	1.8
163.03876	2.0
163.11162	5.3
165.06969	0.8
165.09102	2.3
165.12755	0.9
169.06477	0.9
169.10121	3.1
171.11626	3.0
173.09604	2.5
173.13191	2.5
175.11180	8.8
177.05452	2.7
177.12753	1.1
181.09953	1.1
183.11681	3.1
185.09569	1.3
185.13214	3.3
187.07516	2.6
187.11125	1.8
193.12172	1.9
195.11629	0.9
199.14734	1.3
201.12637	1.0
201.16278	1.2
205.12180	3.2
209.13268	1.3
213.12675	1.2
213.16338	1.6
215.14371	1.3
219.10077	1.1
225.12682	1.1
225.16356	3.3
227.14244	3.3
229.08597	1.0
229.12128	1.2
229.15810	2.4
229.19592	1.1
231.13921	0.9
239.14224	1.8
239.17862	2.9
241.15880	1.8
243.17447	6.7
247.09666	1.2
249.16365	1.4
257.08002	1.2
257.15347	0.9
257.18964	5.6
265.08646	0.9
267.17511	11.1
273.18268	1.1
275.08972	3.9
285.18484	26.7
285.21616	2.0
301.41443	0.9
303.19568	77.2
309.11035	1.6
321.09995	3.3
321.20572	34.2
321.24393	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.2061
Annotation	Cespihypotin T
Peak:m/z	Relative Intensity
53.03942	0.9
54.98185	0.5
55.01867	1.9
55.05506	2.5
56.96555	1.0
57.03422	1.0
59.04985	0.8
65.03954	0.6
67.05504	6.6
69.03427	1.7
69.07064	2.1
70.06577	0.9
70.67004	0.8
70.67322	0.8
71.05010	0.7
76.93464	0.5
77.03927	0.6
79.05495	6.3
79.15937	0.5
81.01421	0.6
81.03428	1.7
81.07063	7.6
83.04990	1.5
83.08607	1.0
84.48548	0.5
85.06547	0.6
86.10741	0.5
89.81580	0.5
91.05482	9.8
93.03415	0.5
93.07046	12.7
95.04961	2.7
95.08603	7.6
97.02892	1.8
97.06531	10.4
97.10172	0.6
98.97588	1.4
99.58605	0.6
103.05489	0.6
105.03343	0.7
105.06389	1.0
105.07037	10.7
106.23972	0.5
107.04962	0.8
107.08602	8.6
109.06513	6.1
109.10131	3.2
111.08083	100.0
112.08400	0.5
113.06003	0.6
115.05450	0.9
117.06995	2.8
119.04971	0.9
119.08578	10.8
121.06482	4.0
121.10142	4.4
123.04482	0.6
123.08073	19.5
123.11745	1.1
125.06017	1.0
125.07027	0.5
125.09644	1.0
129.07016	2.2
131.08565	7.2
133.06493	1.5
133.10124	9.3
135.08057	12.9
135.11729	1.9
137.09616	10.9
139.03941	0.9
139.07530	0.7
141.07010	1.0
142.07756	1.9
143.08559	3.2
144.05682	0.9
145.02846	1.3
145.06430	0.7
145.10136	6.6
147.04385	2.4
147.08043	6.4
147.11685	8.9
148.04689	0.7
149.02361	0.9
149.09630	22.3
154.06293	0.7
155.08569	2.1
157.10129	5.9
159.08096	1.9
159.11703	4.3
161.09615	4.0
161.13248	1.4
163.03976	1.6
163.11200	5.0
164.46954	0.6
165.09161	0.8
167.03470	1.1
169.10121	3.6
171.11708	2.4
173.09634	1.8
173.13251	1.3
175.11183	6.9
177.05444	1.7
177.12761	1.3
181.04898	0.7
183.11685	3.2
185.09586	1.1
185.13283	2.0
187.07533	1.3
187.11111	3.2
189.12750	1.6
189.46622	0.6
193.12224	1.4
195.11748	1.2
197.13219	1.8
199.11136	1.2
199.14847	1.9
201.12756	1.9
205.12263	2.3
207.06601	0.8
207.17427	0.7
209.13278	1.3
211.11240	1.1
213.12794	1.4
213.16194	0.8
215.07088	0.6
215.14354	1.9
215.17924	0.9
219.01843	1.1
223.14952	1.2
225.16397	3.2
227.14378	3.1
229.08600	0.7
229.12308	0.8
229.15897	1.6
239.14360	1.1
239.17961	3.9
241.15881	2.4
243.17410	3.9
247.09673	0.6
249.16428	1.3
257.08279	1.1
257.19037	4.6
267.17459	9.0
270.45963	0.6
273.18448	0.9
275.09192	3.0
285.18506	26.2
303.19556	78.6
304.19772	0.9
321.09781	2.9
321.20590	31.5
322.21082	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.206
Annotation	Monacolin J
Peak:m/z	Relative Intensity
53.03940	2.0
55.05518	3.1
56.96562	2.7
57.03431	1.8
60.95818	1.6
67.05515	7.2
69.03426	2.6
69.07077	2.6
69.40183	12.4
79.05498	12.2
81.03390	2.2
81.07064	13.4
83.04984	2.3
85.02903	2.6
89.03911	3.2
89.47227	1.4
91.05479	15.9
93.07041	18.7
95.04964	2.5
95.08604	10.6
97.06525	8.0
98.20810	2.7
105.07030	21.7
107.04898	1.6
107.08589	14.6
109.06510	5.4
109.10134	3.0
111.08089	9.5
115.05405	2.1
117.03400	2.0
117.06989	9.8
119.08576	11.9
121.06523	6.2
121.10149	5.6
123.08070	6.7
124.07584	3.7
129.07024	9.5
131.08571	20.8
133.10112	24.0
135.04384	3.3
135.08058	12.7
135.11673	4.3
137.09595	3.8
141.07004	9.0
142.07770	1.8
143.08556	14.7
144.05696	1.5
145.02861	2.0
145.10136	12.5
146.06018	2.2
147.08043	5.4
147.11679	5.9
149.09641	6.3
149.84117	1.6
155.08559	10.1
157.10133	10.0
159.08052	5.3
159.11667	8.1
161.09598	7.0
163.03914	20.9
163.11197	2.6
164.04248	2.2
165.06975	2.2
167.08510	3.6
169.10123	11.0
171.08037	3.0
171.11722	7.2
173.09605	5.5
175.11215	12.6
177.05524	3.8
179.08479	2.0
181.10115	8.3
183.11697	12.6
185.09659	2.2
185.13252	4.0
187.07433	1.9
187.11205	5.5
188.07057	3.7
193.10194	4.5
195.11691	5.4
197.09573	3.6
197.13203	11.2
199.11209	2.2
201.12753	2.6
206.10881	1.9
207.11691	7.7
209.13228	7.7
211.11186	5.3
211.14757	8.2
213.12654	2.5
213.16408	2.0
215.14314	3.5
221.13272	6.2
223.14798	3.8
225.12781	7.1
225.16380	13.4
227.14293	6.7
229.12277	1.8
229.15900	6.9
237.16411	3.7
239.14297	15.4
239.17897	18.5
241.15916	2.2
243.17441	6.9
245.82069	1.8
249.16403	16.3
252.15224	2.4
255.17462	15.2
257.15311	2.4
257.19000	9.6
259.00934	2.1
267.17426	83.7
275.09030	4.7
285.18481	100.0
303.16614	1.9
303.19666	15.4
321.10370	3.4
321.14749	2.8
321.17487	2.8
321.20694	17.5
321.24176	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	321.2063
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	2.5
55.01862	5.0
55.05510	22.9
56.96537	1.3
57.03438	42.0
57.07074	3.8
65.03928	2.0
67.05188	2.2
67.05509	27.3
69.03434	3.1
69.07083	10.1
69.74332	4.9
69.74752	3.3
71.04995	2.5
71.08634	2.7
77.40054	1.6
79.05497	24.7
81.03402	1.9
81.07061	26.4
83.01243	1.3
83.04978	36.4
83.08630	6.6
85.06545	7.3
91.05482	27.4
93.03388	1.4
93.06495	1.6
93.07047	26.6
94.94248	1.3
95.04952	7.6
95.08608	24.2
97.06524	5.0
97.10176	3.3
98.20856	2.6
99.04445	4.9
99.08105	2.7
103.05459	2.6
105.06378	2.3
105.07025	21.9
107.04959	41.4
107.08603	14.6
109.06521	31.6
109.10181	8.4
111.04451	24.6
111.08067	4.6
113.05993	3.4
115.05483	1.6
117.07030	11.4
119.04940	1.6
119.08595	17.4
120.39062	1.5
121.06539	9.1
121.10160	9.9
123.04450	2.5
123.08070	49.7
123.11697	2.3
125.05969	4.3
129.07005	7.8
131.08568	17.6
133.06506	8.9
133.10123	10.5
135.08051	17.2
135.11659	6.1
137.05952	4.7
137.09647	7.9
138.61978	1.4
141.06949	3.1
143.08580	6.4
145.06497	7.0
145.10126	11.4
147.08055	11.5
147.11719	3.5
149.05991	6.1
149.09613	4.2
149.13274	2.1
151.07579	2.5
151.11195	2.0
153.09013	2.1
155.08536	5.7
157.10112	4.9
159.08070	11.2
159.11742	6.7
161.05914	1.7
161.09590	10.8
163.07521	5.2
163.11174	4.9
165.09216	2.0
169.10123	4.6
171.11655	6.9
173.09637	5.8
173.13268	3.4
175.07574	1.4
175.11177	2.5
177.09081	3.7
177.12735	13.1
178.13635	1.8
179.14314	56.5
181.10211	1.5
183.11722	3.2
185.09641	3.0
185.13344	1.9
187.11238	4.0
187.14836	5.6
189.12685	2.9
197.13252	3.5
199.11293	3.3
199.87462	1.4
205.15868	8.5
215.14374	12.0
217.12187	1.7
225.16354	2.9
233.13246	2.3
233.15388	30.6
243.17513	7.5
247.08493	1.5
253.15976	2.7
258.38278	1.4
261.18494	19.3
265.18069	10.2
271.16965	20.4
289.17981	57.7
303.19702	1.8
303.23154	5.7
321.24231	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.097
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03920	1.2
55.01860	1.6
55.05487	4.4
56.96537	1.2
65.03947	13.1
66.34963	1.1
67.05508	9.1
69.03412	3.4
69.07035	4.9
69.80463	2.4
69.80869	5.2
71.04981	2.9
71.06786	1.3
79.05463	5.5
81.03401	1.6
81.07058	14.1
83.04952	3.8
83.08572	1.6
85.02850	1.3
86.09236	2.2
86.09709	26.7
91.05494	10.0
93.03409	9.3
93.07058	9.8
95.01315	2.8
95.04978	6.1
95.08615	11.5
97.02898	24.8
97.06525	1.6
98.20840	2.0
98.97531	1.7
99.04464	1.3
99.08076	1.9
103.05441	2.3
105.07030	8.2
107.04939	3.9
107.08617	8.8
109.02820	1.5
109.06498	4.1
109.10164	7.4
111.04396	2.8
111.08052	3.1
115.05434	5.7
115.97112	1.6
116.06226	1.5
117.07028	3.0
119.04906	1.5
119.08582	8.9
120.08112	31.3
121.02809	4.0
121.06464	2.5
121.10146	10.9
123.04379	4.5
123.08040	1.6
123.11661	5.2
125.02354	1.6
128.06209	4.6
128.10741	14.1
129.07005	7.0
131.04865	4.6
131.08569	13.9
133.10083	5.8
135.08058	1.9
135.11667	10.0
137.09573	4.5
139.03838	4.0
139.05434	1.6
140.04698	6.2
141.06993	17.4
141.12733	1.5
143.08565	2.9
144.05702	16.8
145.06444	5.0
145.10056	5.4
147.04349	3.4
147.07925	1.5
147.11630	4.1
149.02301	5.7
149.13228	3.5
153.05501	2.2
153.06992	2.6
154.06262	10.4
155.04831	3.5
155.06989	4.8
155.08218	1.3
156.05635	1.8
156.10144	3.8
157.06442	4.4
157.10146	1.6
158.07228	2.2
159.08066	18.0
159.11720	6.3
161.05968	2.0
161.09457	1.5
161.13177	3.2
163.11128	2.3
165.09120	2.7
166.02502	1.2
166.07445	1.8
166.08653	20.6
167.03416	17.1
167.10609	2.5
168.05684	3.1
169.06429	10.2
169.07632	2.9
171.04268	1.7
171.08002	2.2
171.11668	1.7
172.05168	3.1
173.05916	4.9
173.09605	1.7
174.03091	1.9
175.11089	4.2
175.14735	5.0
177.05402	4.0
177.12717	1.3
181.05005	10.5
185.05936	2.7
186.06715	2.4
187.05891	1.7
187.07539	28.6
191.06967	2.7
191.14336	1.8
193.08600	1.8
193.15797	2.7
196.05214	2.0
197.05975	13.4
198.06647	1.6
199.03870	1.5
199.07526	3.0
199.14813	3.2
200.04613	2.7
201.05362	2.3
201.12669	1.9
203.06975	5.1
204.07780	2.6
207.06461	5.2
214.06201	4.4
215.07031	16.2
217.08510	3.1
218.09381	10.0
219.01678	1.7
219.06531	10.9
219.10132	17.8
225.05476	3.0
229.08624	24.6
230.05518	1.9
231.09990	1.5
232.07333	2.3
233.07959	3.1
237.02718	1.6
243.06418	6.4
244.07280	1.7
245.07970	1.7
246.06657	4.3
247.09697	23.7
257.08069	20.6
261.08890	1.4
271.05951	1.7
273.22272	1.8
274.06137	3.1
275.09143	100.0
277.10675	2.0
279.03827	2.0
285.07504	1.7
285.18729	1.2
285.21918	6.0
289.08679	29.2
291.23123	2.7
303.05685	1.3
303.08673	17.9
303.19687	2.1
303.23154	18.5
321.09598	49.7
321.16617	2.9
321.20987	1.7
321.24268	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	321.097
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69033	1.7
53.03929	1.2
55.01866	2.1
55.05499	2.7
56.96554	1.6
57.73616	1.4
65.03938	10.8
67.05511	8.7
69.03413	3.7
69.07060	2.5
69.80111	5.5
71.04984	2.9
79.05486	4.2
81.03408	2.8
81.07051	7.7
83.04982	1.9
91.05485	10.1
93.03400	9.8
93.07048	6.8
94.05503	1.1
95.01312	1.8
95.04950	4.7
95.08600	7.3
97.02892	25.1
97.06512	3.7
98.21397	1.7
105.03397	2.2
105.07026	8.3
107.08602	7.3
109.02884	1.6
109.06499	3.3
109.10149	4.2
111.04440	1.5
111.08070	10.2
115.05444	7.5
116.06222	1.8
117.07001	3.6
119.08574	4.9
121.02845	5.9
121.06507	3.0
121.10134	6.2
123.04415	3.9
123.08062	8.5
123.11713	3.0
125.02345	1.7
128.06223	5.8
128.10580	1.3
129.06993	8.3
131.04906	3.4
131.08566	11.3
133.06552	1.5
133.10138	5.0
135.08031	2.4
135.11697	4.4
137.09622	4.0
139.03912	3.1
139.05453	1.6
140.04700	8.7
141.06981	17.9
141.12720	2.8
141.67830	1.4
143.08562	3.2
144.05714	17.4
145.06476	3.6
145.10118	5.9
147.04431	2.9
147.11691	2.8
149.02351	9.8
149.09659	1.9
152.06203	1.7
153.05447	3.0
153.06981	1.7
154.06270	10.9
155.04887	5.3
155.05971	1.6
155.07024	4.9
155.08310	1.3
157.06462	8.2
157.10150	2.7
158.07256	2.2
159.08057	17.5
159.11699	2.8
161.06010	2.7
163.11151	2.3
165.09145	4.1
167.03403	16.4
168.05711	4.6
169.06471	12.6
169.07646	3.3
169.10098	1.9
171.08112	2.9
171.11736	1.3
172.05202	3.1
173.06001	3.0
175.07498	1.7
175.11226	5.9
177.05504	3.5
181.04956	14.2
181.06392	2.4
182.07198	1.5
183.04399	1.8
185.05998	1.8
186.06668	2.4
187.07539	32.4
189.05417	1.7
189.07011	2.6
190.07796	4.4
191.07063	2.0
192.04269	1.5
192.97112	1.4
196.05219	2.8
197.05981	12.4
199.03850	1.7
199.07568	4.2
199.14815	2.9
200.04619	2.6
201.05479	2.5
201.12775	3.1
203.06990	3.7
204.07799	2.7
207.06543	6.6
214.06245	5.3
215.07040	16.7
217.08566	3.3
218.07268	6.9
218.09384	9.9
219.06598	9.7
219.10109	20.8
225.05377	2.1
229.08621	23.1
229.16119	1.7
233.08009	3.2
233.18985	1.4
242.05791	2.5
243.06581	9.4
244.07188	1.5
245.08131	2.2
246.06769	15.5
247.07533	1.8
247.09715	21.5
257.08084	18.0
258.06805	1.5
261.09058	4.3
267.17429	3.8
271.05853	2.2
274.06253	11.5
275.09143	100.0
278.09293	1.6
285.18491	8.2
285.22043	3.8
289.08618	82.4
290.09302	3.9
303.08655	16.9
303.19608	4.2
303.23151	11.8
321.09497	47.7
321.20547	13.8
321.24216	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	321.067
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96560	2.2
70.72938	4.7
70.99844	2.1
73.01406	3.3
80.82478	1.8
82.99840	10.4
85.01371	1.7
89.00871	1.8
90.73417	1.9
92.37261	2.1
95.43119	1.5
97.01384	3.5
98.97570	4.9
101.00887	80.4
103.02421	1.7
110.97560	2.3
113.00873	19.3
115.02432	18.7
117.03988	3.1
119.01929	79.4
123.61634	1.5
126.98792	2.6
127.02460	2.0
129.03975	6.4
131.01912	29.1
133.03479	34.0
137.02946	5.4
143.01909	18.9
144.99863	2.1
145.01584	1.8
145.03510	8.3
147.01447	3.4
147.05013	4.0
148.51251	1.6
149.02972	4.0
151.04497	3.2
155.01880	6.0
157.03459	5.8
158.99660	4.2
159.01430	2.7
159.05023	6.9
161.02977	22.2
163.03894	3.5
168.99808	25.3
171.01411	9.8
171.05029	9.0
173.02963	19.2
175.04465	3.8
177.00798	3.0
177.02454	4.5
183.01332	3.3
185.02937	4.5
187.00885	47.4
189.02483	21.4
189.06076	4.5
190.98672	1.7
191.02629	2.1
191.04036	19.0
196.99318	17.7
201.00768	2.9
201.02472	9.3
201.06044	3.8
203.04051	6.7
205.01976	10.8
211.34813	2.0
213.06108	2.3
213.27867	1.6
215.00388	49.4
217.01994	2.3
219.01813	3.9
219.03526	5.0
219.07082	2.5
221.05051	9.5
229.01941	38.3
231.03513	5.0
231.07213	3.6
232.15845	1.7
233.01382	4.2
233.05103	27.7
245.05136	5.5
247.03004	100.0
249.04477	4.9
251.06100	2.2
261.04434	3.7
261.08377	9.1
265.04153	10.8
267.95447	1.6
279.05630	5.2
279.09235	17.4
289.04166	17.1
307.05060	2.4
321.06516	14.3
321.10263	37.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	320.134
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01844	2.0
56.05037	1.6
56.53924	1.2
56.96565	4.5
57.03417	1.6
61.79186	1.4
69.03419	4.1
69.07069	3.1
69.97905	5.6
70.06596	12.8
72.08160	2.5
74.06066	2.0
81.03412	3.8
81.07059	1.3
84.04491	5.2
84.08136	4.1
85.02917	10.1
86.09679	4.8
94.06565	5.9
95.07352	2.0
96.04480	6.2
96.08104	4.8
97.02888	3.7
98.06064	8.6
98.97593	7.8
99.04420	1.7
102.05516	2.0
109.02859	7.0
110.97540	2.2
112.07588	5.9
114.05529	16.9
116.07092	6.3
116.98611	5.0
120.08129	1.9
120.56560	1.4
122.06028	3.1
123.04430	2.6
128.98613	2.6
130.06564	1.4
131.99609	1.4
135.04407	5.4
137.05927	1.4
138.05377	1.4
138.09113	4.8
140.07066	52.1
141.05458	5.1
143.00195	2.2
145.02771	2.7
145.04959	2.1
147.11345	1.6
149.10657	1.4
155.04649	1.3
158.08127	100.0
158.52527	1.4
161.01247	2.1
163.03903	18.6
170.99675	1.9
173.12863	3.5
177.00728	2.9
201.12288	2.5
212.06250	3.6
237.02844	3.4
239.06642	1.6
240.12267	2.4
257.46466	1.8
258.13345	5.2
279.07617	3.1
302.12314	3.9
320.13562	4.4
321.08551	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.2269
Annotation	12(S)-HEPE
Peak:m/z	Relative Intensity
55.05447	2.7
59.97868	0.6
67.05431	10.0
69.03364	0.7
69.07061	3.9
70.47799	1.4
70.48164	1.5
71.04939	0.7
79.05492	9.5
81.03350	0.9
81.07058	18.2
81.07500	1.1
83.08547	2.5
91.05477	10.6
93.07047	14.4
95.08608	20.0
97.06481	1.4
97.10132	1.3
105.07033	21.1
107.08607	14.5
109.10154	13.1
111.08018	0.7
115.22016	0.7
117.06913	3.1
119.08585	12.0
121.10146	12.3
123.07941	0.7
123.11703	4.5
125.09564	1.0
129.06914	2.4
129.53159	0.6
131.08556	9.9
133.10126	11.7
135.07944	1.0
135.11696	8.1
142.07751	0.8
143.08560	5.1
144.09192	0.8
145.09085	0.9
145.10115	13.7
147.11688	16.3
149.09685	0.7
149.13231	4.8
157.10139	6.5
159.07906	0.7
159.11696	12.2
161.09621	0.7
161.12050	0.8
161.13257	10.2
163.11177	0.7
163.14813	1.2
165.12695	1.7
169.10071	1.1
171.11723	4.4
173.11826	1.0
173.13274	18.3
175.14850	3.9
177.12668	1.0
179.10638	1.3
183.11566	1.6
185.13274	5.9
187.14804	3.2
189.12561	0.7
191.14322	4.4
193.12180	2.2
197.13240	1.0
199.14832	19.9
201.16335	2.1
203.14293	2.1
203.42172	0.7
203.65300	0.7
205.12199	1.5
213.16396	6.5
217.15869	6.3
219.13692	0.8
223.14816	0.9
227.17952	5.3
235.56764	0.6
243.21060	0.8
245.15338	1.2
245.22546	0.7
255.21086	81.9
256.21506	1.2
259.16910	1.3
265.19495	2.2
273.22122	100.0
274.22415	1.5
283.20551	12.1
290.57565	0.7
295.86572	0.8
301.21619	38.6
319.22705	31.5
319.25903	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.227
Annotation	11R-HEPE
Peak:m/z	Relative Intensity
53.03933	2.3
54.03844	0.9
55.01862	2.7
55.05518	5.1
56.96548	1.7
57.03425	3.8
57.07056	1.3
60.04482	1.0
61.02927	1.9
63.35007	1.0
65.03902	1.0
67.05504	12.6
69.03419	3.5
69.07053	4.8
70.33057	1.0
71.04980	2.3
79.05078	1.1
79.05499	15.2
81.02988	1.6
81.03423	21.6
81.04528	7.8
81.06588	1.9
81.07054	34.7
82.04832	1.1
83.04972	3.2
83.06096	2.7
83.08618	5.6
85.02896	1.9
85.06545	1.9
89.03945	1.1
91.05475	20.7
93.07044	17.7
93.89592	1.0
94.56318	1.4
95.04979	11.7
95.06055	3.2
95.08611	19.9
97.02921	5.6
97.06533	7.9
97.10197	1.6
98.97568	1.8
105.07029	27.8
107.04965	3.1
107.06096	1.4
107.08600	22.8
109.06509	11.5
109.10141	8.7
111.04443	1.8
111.08086	7.9
113.05997	12.0
115.05497	1.7
117.03339	1.1
117.07005	7.8
119.08581	16.9
120.76109	1.1
121.06488	2.5
121.10149	13.1
123.08082	8.2
123.11703	1.4
124.08699	5.9
125.06086	2.1
125.07103	6.2
125.09622	3.1
127.07564	2.3
128.06238	2.3
129.07024	5.5
131.08572	19.4
133.06433	1.5
133.10130	16.2
135.04417	1.4
135.08032	6.4
135.11714	8.6
137.09613	2.8
139.03888	1.0
139.07545	1.5
141.06982	2.7
141.09059	1.6
142.07826	1.3
142.09760	2.9
143.08534	5.8
145.10127	16.3
147.08049	1.5
147.11682	13.3
149.09583	5.1
149.13249	2.4
151.11102	2.2
153.09105	3.8
155.08568	4.1
157.04955	1.9
157.10147	11.3
159.08076	1.5
159.11690	13.1
161.09602	1.1
161.13271	5.9
163.03900	9.1
163.11145	2.6
163.14919	1.3
165.12706	2.9
167.03525	2.4
167.08589	1.2
167.10602	2.3
169.10149	5.3
171.11702	8.0
173.13304	7.9
175.11159	3.7
175.14853	3.7
177.12701	1.3
181.10146	3.0
183.11705	5.9
185.13240	6.8
187.11101	1.1
187.14798	4.0
187.58298	1.2
189.12747	1.9
193.12236	4.4
194.10869	1.4
195.11723	3.3
197.13268	4.9
199.14874	7.3
201.12636	1.7
201.16364	1.2
203.14365	1.7
205.15862	2.1
209.13280	2.8
211.14804	3.0
213.16385	3.7
213.63322	2.7
215.18044	1.3
223.14790	3.7
225.16342	2.5
227.14421	1.7
227.17905	2.5
237.16374	3.9
239.17889	3.6
241.19556	11.2
243.17439	1.7
253.19440	1.9
255.17459	1.5
255.18498	1.4
255.21089	12.4
257.19064	5.6
259.20587	12.6
265.19501	11.0
271.20584	3.3
273.22159	14.6
283.20554	30.3
301.11966	6.4
301.18356	1.7
301.21567	32.6
319.10001	1.7
319.19211	8.5
319.22650	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	319.227
Annotation	11R-HEPE
Peak:m/z	Relative Intensity
55.05501	4.0
56.96552	1.3
57.04657	0.7
61.02901	0.8
67.05502	11.2
69.07053	3.7
70.76051	1.0
70.76413	1.8
79.05501	9.9
81.03397	1.2
81.06590	1.4
81.07059	24.1
83.04951	1.1
83.08568	1.2
91.05489	13.9
93.07048	19.1
95.08614	24.7
97.06523	1.3
97.10161	2.5
105.07040	24.8
107.08603	19.9
109.06516	2.0
109.10164	12.0
117.07039	4.7
119.08591	14.4
121.10143	13.8
123.11757	4.3
125.09619	1.3
129.06987	3.5
131.08568	11.8
133.10129	11.5
135.08073	1.0
135.11708	9.7
137.09569	0.9
137.34094	0.8
143.08569	7.5
144.08105	8.9
145.09074	1.5
145.10130	17.0
147.11703	19.6
149.13289	5.9
151.11150	1.8
155.08673	0.8
157.10133	6.2
158.83875	0.9
159.11702	15.4
161.13255	14.0
163.03899	1.1
163.14835	3.2
165.12764	1.7
167.10725	1.0
169.10065	1.3
171.11699	5.8
173.13275	18.5
175.14816	4.8
175.47302	1.0
176.14375	5.7
177.12779	2.3
179.10670	1.3
183.11752	1.4
185.13278	6.5
187.11212	0.9
187.14787	2.0
191.14365	6.1
193.12260	2.4
199.14832	21.0
200.91914	0.9
201.16393	1.4
203.14339	1.4
205.12297	2.3
207.13730	1.9
213.16402	6.7
217.15924	7.1
219.13869	1.1
223.14955	1.0
227.14413	1.0
227.17973	5.0
229.07434	3.0
245.15346	1.1
247.08485	1.2
255.21092	90.3
265.19583	1.6
273.22131	100.0
274.22369	1.4
283.20569	11.3
301.21631	48.3
302.21921	1.0
319.22644	33.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.227
Annotation	12(S)-HEPE
Peak:m/z	Relative Intensity
53.03948	0.8
55.05510	4.3
57.07069	1.4
58.36694	0.7
59.82401	0.8
65.03954	1.0
65.22353	0.8
67.05505	9.1
69.03447	0.8
69.07073	6.3
70.10293	2.8
70.78831	0.7
71.04974	1.0
72.72878	0.7
73.89425	0.7
78.45880	0.7
79.05487	7.4
81.07064	18.2
83.08615	2.5
85.06564	1.1
91.05486	9.1
93.06491	1.1
93.07050	15.1
95.04977	1.3
95.08614	20.7
97.02889	1.1
97.06520	2.5
97.10144	1.8
105.07036	15.1
107.08601	14.1
109.06486	1.4
109.10164	12.5
111.08110	1.2
113.09638	0.8
117.07043	3.7
119.08579	14.4
121.10159	15.0
123.08068	1.0
123.11707	4.6
125.09605	1.0
128.06190	1.1
129.07002	1.4
131.08572	9.3
133.10149	10.9
135.11696	7.0
137.13281	1.4
139.03900	1.4
142.07800	1.0
143.08568	5.7
145.10156	9.3
147.07947	0.7
147.11700	12.9
149.09581	0.8
149.13242	5.3
151.11121	1.0
156.09340	0.9
157.10138	7.0
158.99547	0.8
159.11699	10.9
161.09691	1.2
161.13272	8.9
163.03859	1.6
163.11148	1.3
163.14877	2.1
165.12729	1.3
169.10144	1.7
171.11664	6.3
173.13261	8.3
175.14838	2.5
177.12770	0.8
179.10709	0.9
183.11674	0.9
185.13271	7.2
187.14824	2.1
189.16428	0.7
191.14291	1.7
193.12282	1.3
193.89316	0.7
195.28564	0.9
197.13229	0.9
199.14839	11.2
201.16335	1.6
203.14272	1.5
205.12193	1.5
207.13937	1.1
213.16364	5.4
217.15942	1.6
219.13791	0.9
225.16428	0.9
226.17184	3.1
227.17900	5.2
243.21173	0.8
245.15514	0.9
245.22665	1.3
255.21086	75.6
265.19440	2.4
273.22137	100.0
274.22501	1.8
283.20572	9.1
301.21625	45.4
319.19028	2.1
319.22672	23.4
319.26373	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.2272
Annotation	11R-HEPE
Peak:m/z	Relative Intensity
53.03931	2.1
55.05504	4.3
56.96566	2.2
57.03443	2.0
57.07059	1.0
67.05504	14.6
67.24782	0.9
69.07066	7.9
71.04984	2.0
71.52843	1.5
72.08155	1.6
79.02735	0.9
79.05487	14.7
81.03421	5.3
81.04546	1.9
81.07055	29.3
83.04976	3.0
83.08606	2.5
84.08144	1.2
85.02905	1.3
85.06522	2.5
86.09694	3.0
87.10065	1.0
91.05478	17.8
93.07051	24.9
95.04955	3.7
95.08608	26.0
97.02891	4.1
97.06519	4.6
97.10175	2.2
98.61120	1.2
98.97562	2.2
105.07034	24.8
105.07710	0.9
107.08596	21.6
109.06535	3.1
109.10157	15.9
111.08086	2.6
115.05453	1.7
117.07016	7.1
119.08574	19.7
121.06493	2.3
121.09320	0.9
121.10134	23.4
123.04427	1.2
123.08060	1.5
123.11733	6.3
125.09623	3.1
128.06311	1.2
129.06990	2.5
130.07695	1.1
131.04860	1.7
131.08554	12.3
133.10127	12.0
135.08078	1.5
135.11685	15.5
137.09604	2.8
137.13193	1.2
139.11203	2.8
143.08571	5.7
145.10117	14.4
147.08081	1.9
147.11696	22.2
149.09630	1.6
149.13315	7.2
151.03896	2.5
151.11156	2.1
152.04260	1.4
157.10133	6.2
157.12167	1.1
158.99617	1.2
159.04460	1.7
159.11691	14.6
160.04727	1.7
161.09560	1.4
161.13249	13.0
163.03926	4.2
163.11201	2.7
163.14830	3.6
165.12775	2.5
167.10645	2.2
171.11667	4.2
173.11925	1.8
173.13271	15.0
175.11189	2.3
175.14836	2.4
177.12778	2.9
177.16341	1.1
179.10643	4.2
185.13263	8.1
187.14865	3.6
189.12924	1.3
191.14304	11.5
193.12254	4.5
197.13226	2.3
199.14786	11.0
201.16342	2.0
203.14307	5.2
205.12233	3.6
207.13704	1.6
213.16393	2.9
217.15828	3.4
219.13837	1.4
225.16318	1.0
227.14171	1.7
227.17969	3.7
255.21089	66.1
265.19418	2.5
271.20587	1.6
273.13019	2.6
273.22134	100.0
274.22427	1.7
283.20544	16.8
301.11880	1.7
301.21600	35.9
319.19186	2.5
319.22684	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	319.2271
Annotation	12(S)-HEPE
Peak:m/z	Relative Intensity
53.03945	0.9
55.05513	4.3
56.96555	0.8
59.41327	0.8
63.45118	0.7
67.05509	10.0
69.07061	2.5
69.20518	3.6
69.20943	3.5
71.04998	1.0
79.05499	8.9
81.03375	0.8
81.04533	1.0
81.07066	18.4
83.05000	1.2
83.08623	1.5
84.08137	0.9
84.08727	0.7
89.03938	0.9
91.04973	1.1
91.05486	10.0
93.07043	14.5
95.04966	1.2
95.08610	19.1
95.16221	0.7
97.06523	1.3
97.10168	2.0
105.07041	21.7
107.08604	13.7
109.10167	13.7
111.08102	1.3
115.05468	0.8
117.03431	1.2
117.07013	4.3
119.08600	14.0
121.10149	12.0
123.11739	5.1
125.03986	0.7
125.09682	0.9
129.07025	1.7
131.08578	9.2
133.10144	11.1
135.04433	1.2
135.11699	7.9
137.09621	0.9
137.13316	0.9
143.08562	7.4
145.02863	2.2
145.10136	12.9
147.11705	16.6
149.09608	0.9
149.13269	4.3
151.11128	0.9
157.10130	5.9
159.11716	12.9
161.13266	11.4
163.03914	8.4
163.14821	1.7
164.04210	1.3
165.12811	1.6
167.10667	0.9
169.10071	1.0
171.11635	4.0
173.13268	16.4
175.14757	4.2
179.10710	0.9
183.11751	1.0
185.13286	7.2
187.14815	2.1
191.14330	6.8
193.12250	3.8
195.11563	1.1
197.13301	1.7
199.14844	17.9
201.16367	1.5
203.14302	1.1
205.12363	0.9
213.13066	0.8
213.16388	6.4
215.17906	0.9
217.12547	1.0
217.15913	5.9
219.13670	0.9
223.14746	1.5
225.16295	1.0
227.17978	3.4
237.00803	1.4
241.19566	0.9
255.21103	74.9
259.16837	1.3
265.19559	2.3
271.20496	1.1
273.22141	100.0
274.22592	1.1
282.16785	0.8
283.20551	10.9
301.21643	37.0
319.09525	1.0
319.22699	31.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	318.1547
Annotation	Unknow
Peak:m/z	Relative Intensity
51.11014	1.0
53.03935	1.9
57.03426	3.7
58.19109	0.9
61.02930	7.5
67.05496	1.4
69.03437	10.9
70.06595	17.2
70.88680	1.8
70.89005	1.7
71.04994	1.1
72.08145	1.4
73.02908	3.2
79.05518	0.9
81.03431	6.0
82.87141	0.9
83.17845	0.9
85.02909	62.6
85.06522	1.0
86.09663	1.5
87.04463	1.8
91.03963	5.1
91.05471	3.2
93.03418	2.8
93.07065	4.5
95.04963	3.5
97.02885	12.0
98.97582	1.0
99.04448	3.4
103.05459	1.5
109.02876	5.7
111.04459	7.4
112.05096	1.9
112.07611	2.8
114.05494	1.7
115.03986	1.0
121.06512	100.0
127.03918	14.7
130.06537	1.2
130.08617	1.6
131.08601	1.2
138.09146	18.8
139.03906	22.9
145.03923	0.9
145.04962	26.9
145.06413	2.9
156.06602	1.1
156.10208	2.8
159.08037	2.4
163.06046	5.8
172.05447	6.1
175.08798	1.3
179.07001	2.6
180.08652	2.1
181.04965	8.2
187.07558	11.3
201.09081	1.7
205.08603	8.4
217.08607	0.9
229.08592	4.1
235.09743	1.2
246.09712	1.4
247.09697	4.0
265.10687	3.3
274.16510	3.3
300.10190	2.3
318.12143	2.0
318.15463	2.2
341.96045	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.2113
Annotation	7beta-Hydroxyabieta-8,11,13-trien-18-oic acid
Peak:m/z	Relative Intensity
50.14618	1.2
53.03937	2.2
55.01859	1.5
55.05500	4.1
56.96568	2.3
57.03432	1.6
57.07069	1.1
67.05502	14.8
69.03418	2.5
69.07056	6.5
69.36495	9.3
70.06596	1.6
70.17955	1.1
71.04976	2.0
72.08156	1.8
72.60078	1.1
79.05490	15.9
81.03408	4.4
81.07059	28.9
83.08598	3.2
85.06548	1.9
91.05477	20.5
93.06489	2.3
93.07051	34.2
95.04958	3.4
95.08609	22.6
97.02886	3.9
97.06501	3.7
97.10114	1.3
98.97578	4.9
99.04458	1.4
99.08087	1.8
103.05469	2.7
105.07035	30.7
107.04961	2.9
107.08600	23.7
109.06504	4.2
109.10149	17.5
116.98621	1.6
117.07014	12.9
119.08585	21.0
121.06511	18.8
121.09345	1.5
121.10150	19.0
122.06831	10.2
123.04424	4.1
123.08092	3.5
123.11678	3.6
125.09624	2.5
128.06213	2.3
129.07019	8.0
131.08569	21.5
133.06514	1.5
133.10139	15.7
135.08014	2.7
135.11711	9.9
137.05956	3.0
137.09560	2.9
139.11113	2.2
141.06987	3.0
142.07790	1.6
143.08557	14.4
144.09290	1.6
145.10115	24.1
147.04396	1.5
147.07973	2.0
147.11687	14.4
149.09584	4.4
149.13243	5.3
152.14331	4.0
153.09055	2.4
153.14687	4.4
155.08548	9.1
157.10114	15.9
159.11700	20.8
161.05998	1.4
161.09674	2.0
161.13255	11.5
163.03897	1.8
163.11197	16.3
163.14822	2.3
165.05513	6.9
165.06715	1.5
167.07048	2.6
167.10716	1.7
169.10127	7.1
171.11690	14.5
173.09576	1.1
173.13240	11.6
175.11197	4.9
175.14862	2.7
177.12781	1.2
183.11700	9.2
185.13275	7.1
187.14830	5.3
189.12767	6.3
191.10661	1.8
191.14189	1.9
193.12213	3.5
197.13280	17.7
199.14827	3.4
201.12910	3.8
201.16426	2.4
203.10661	1.4
207.13795	1.7
211.14810	10.8
213.16397	5.8
215.14368	3.2
215.18103	2.1
217.12286	2.4
219.11987	1.3
219.13835	2.3
219.38846	1.4
223.14716	1.7
225.16357	7.9
227.17857	1.4
233.08058	4.0
241.19557	2.0
243.13786	2.9
243.21124	8.2
253.19527	77.3
254.19943	1.5
255.21059	1.5
257.15323	1.9
259.06924	1.2
263.18106	2.5
267.15924	1.3
271.10764	3.6
271.20575	100.0
272.20233	2.6
273.20419	29.2
281.18997	11.3
287.15909	2.0
299.20074	69.5
302.04410	1.6
309.79410	1.3
317.06476	4.7
317.10608	3.5
317.15027	2.9
317.21063	32.8
317.23175	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	317.2111
Annotation	Cespitularin H
Peak:m/z	Relative Intensity
53.03931	0.8
55.01859	1.1
55.05481	2.3
56.96546	1.2
57.03422	1.0
65.03933	0.6
67.05502	7.4
69.03420	3.2
69.07034	1.7
70.06588	0.6
70.33128	0.5
71.04980	1.1
71.17319	1.1
72.08125	1.3
79.05087	0.6
79.05491	8.4
81.03387	1.3
81.07063	8.1
83.04943	1.3
85.02860	0.8
86.09640	0.6
91.04977	0.7
91.05479	9.2
93.07043	12.1
95.04942	1.9
95.08609	12.7
97.02856	1.6
97.06532	3.3
97.10162	0.7
98.97578	3.3
105.07027	8.1
107.04916	1.2
107.07998	0.7
107.08594	9.2
109.06509	7.6
109.10106	2.2
110.97548	0.7
111.04380	0.9
111.08040	2.7
115.05368	0.5
116.98681	1.0
117.07024	4.3
119.04974	0.7
119.08571	8.2
121.06490	4.7
121.10169	4.6
123.04430	5.4
123.08068	39.6
125.05985	0.6
125.09608	0.8
126.43852	0.5
128.06197	0.8
129.07010	2.6
131.05002	0.6
131.08565	7.4
133.06540	1.0
133.09306	0.7
133.10149	8.1
135.08047	8.0
135.11652	1.9
137.05963	1.6
137.09618	1.1
141.06924	1.5
141.09094	3.7
142.07730	0.6
143.08551	3.8
145.10115	6.3
147.04376	2.6
147.08061	3.0
147.11720	3.5
149.05907	0.7
149.09616	31.7
149.13252	1.3
150.09131	1.3
153.09033	1.1
155.08568	2.9
157.10175	4.8
157.11340	0.8
158.99628	1.2
159.07997	0.7
159.11700	5.9
161.05995	0.8
161.09595	3.3
161.13223	2.2
163.03883	2.1
163.11162	1.9
165.05490	10.3
167.08469	1.1
169.10046	3.1
171.11723	3.9
173.09590	1.0
173.13223	2.2
177.00700	0.7
177.12685	1.0
179.08641	0.6
181.10149	2.0
183.11687	2.5
185.09561	1.3
185.13275	1.9
187.11205	1.4
187.14821	1.6
189.12738	2.7
195.11665	1.8
197.13235	5.7
199.14827	1.6
201.12775	0.9
207.11597	0.7
209.13187	0.9
209.96240	0.6
211.11188	1.0
211.14804	2.0
213.16315	0.8
215.14371	3.3
215.17973	0.7
216.54419	0.6
219.01723	0.7
221.13249	0.8
223.14839	1.0
225.12842	1.2
225.16267	1.6
227.14139	0.6
227.18091	0.9
235.14848	1.2
237.16335	1.2
239.14349	1.1
239.17911	1.0
243.17566	0.7
243.21136	0.9
251.29233	0.6
253.15916	2.4
253.19505	7.1
255.17784	4.3
257.12665	0.6
263.18021	1.9
269.19003	0.6
271.17340	0.9
271.20554	10.6
281.18994	12.1
287.20114	0.7
299.20059	91.9
300.20395	1.3
317.06607	3.0
317.10681	3.4
317.21115	100.0
318.21478	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.2113
Annotation	7beta-Hydroxyabieta-8,11,13-trien-18-oic acid
Peak:m/z	Relative Intensity
55.05506	3.8
57.03444	2.8
64.37258	1.6
65.03951	1.4
67.05505	15.7
68.57881	1.3
69.03429	2.7
69.07068	5.9
69.97071	6.7
70.06597	1.7
70.10977	1.4
71.04989	1.5
79.05494	17.0
79.89364	1.5
81.07056	33.1
83.04961	1.9
83.08605	3.5
84.85509	1.4
85.08377	1.3
86.09699	3.2
91.05476	18.7
93.07050	28.3
95.04976	4.5
95.08604	27.8
97.06554	1.9
98.97573	9.3
105.07034	33.2
107.04984	3.5
107.08596	27.2
109.06507	1.9
109.10146	19.8
111.08112	2.4
111.11725	2.6
117.07011	13.1
119.04957	1.9
119.08585	17.2
121.06525	3.6
121.10134	18.6
123.04426	6.6
123.08105	4.0
123.11698	4.1
125.09639	2.6
128.06253	3.0
129.07007	8.5
131.08566	24.4
133.10127	17.3
135.11678	10.8
137.05968	2.6
139.11177	3.3
141.07014	4.9
142.07715	2.5
143.08553	14.0
145.10133	29.3
147.04437	2.4
147.11702	14.8
149.09566	2.1
149.13254	4.5
153.01814	3.1
153.12802	2.3
155.08530	11.2
157.10107	14.9
158.15303	1.4
158.95813	1.6
158.99652	3.3
159.11702	20.9
161.09593	3.6
161.13225	8.3
163.11189	18.0
164.55241	1.6
165.05481	12.9
167.06987	1.6
167.10725	2.4
169.10129	8.6
171.08128	1.4
171.11685	16.9
173.13275	12.9
175.11205	4.9
175.14748	2.9
177.05524	2.4
177.12685	1.7
179.10631	2.6
181.10188	1.8
183.11652	9.5
185.13240	7.2
187.14851	2.5
189.12744	9.1
193.12279	3.5
197.13263	22.3
199.14835	3.0
201.12706	3.2
201.16524	1.9
203.10739	2.6
205.12262	3.3
209.12968	1.7
211.14816	11.5
213.16406	7.8
215.14418	2.4
215.17966	2.0
216.33914	1.5
217.05005	1.8
217.12273	2.0
219.13820	2.5
225.16325	8.3
228.04185	3.2
229.04860	2.2
236.68726	2.0
239.14325	1.7
241.19366	1.6
243.06573	2.1
243.21066	10.8
245.04552	2.7
253.19510	83.3
255.21118	3.1
256.03665	8.3
257.15326	4.0
263.17926	3.1
271.06036	11.0
271.20563	100.0
273.03912	3.5
274.04813	2.9
281.18985	11.3
284.03302	3.5
285.03922	2.5
287.05515	4.8
289.21713	2.3
299.05539	5.0
299.14795	2.7
299.20065	68.6
302.04236	8.7
317.06570	73.0
317.10614	5.2
317.15314	5.3
317.21075	36.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.2113
Annotation	7beta-Hydroxyabieta-8,11,13-trien-18-oic acid
Peak:m/z	Relative Intensity
51.46987	0.9
53.03939	2.1
55.05511	2.9
56.96556	2.8
57.03423	1.2
65.49608	1.0
67.05508	8.6
69.03424	3.0
69.07082	3.1
70.06580	2.6
71.04979	1.2
71.52306	0.9
71.52702	2.0
72.08150	2.6
79.05492	8.2
81.07055	16.0
83.08634	2.6
83.37007	1.0
84.04514	1.6
86.09693	4.1
87.04461	1.2
91.05487	10.2
92.02613	1.5
93.07043	15.5
95.04970	3.0
95.08617	15.0
97.02895	1.7
97.06525	3.8
97.10193	1.6
97.11723	1.1
98.97593	8.7
102.05572	1.5
105.07038	19.8
107.04958	2.1
107.08581	13.9
109.10160	6.8
111.08070	2.3
115.05482	1.0
116.98621	3.8
117.07036	6.0
119.08592	9.6
121.02879	1.6
121.06508	4.2
121.10116	10.5
123.04390	1.6
123.11722	1.9
125.09623	2.4
129.07004	3.8
131.08559	14.2
133.10130	11.4
135.08095	1.6
135.11670	2.7
136.07657	1.0
137.02316	1.1
137.05995	3.4
137.09583	1.1
139.03929	2.2
141.06966	1.7
143.08578	8.5
145.06621	1.4
145.10115	15.9
147.04407	2.3
147.08061	2.2
147.11705	14.3
149.05981	1.3
149.09671	1.4
149.13289	2.3
151.03922	2.8
151.07532	1.9
151.11203	1.6
153.01868	6.2
155.04984	1.3
155.08572	5.0
157.07576	1.6
157.10139	9.6
158.15486	2.4
158.99689	3.5
159.11668	15.1
161.05902	1.2
161.09482	1.2
161.13240	6.3
163.11272	3.7
165.05493	2.9
169.10126	5.7
171.11700	6.4
173.13226	6.2
175.11147	2.1
177.00732	2.3
177.12704	1.7
179.10690	2.1
181.10165	1.3
183.11703	5.3
185.13280	2.6
187.11234	1.2
187.14812	2.7
189.12762	3.7
191.10625	1.3
193.12282	1.4
197.13272	14.4
199.14828	3.0
201.05417	1.2
201.16490	1.2
203.03354	1.2
203.08273	1.3
203.10725	3.6
203.89467	1.0
205.12302	3.0
211.03854	1.7
211.14828	7.1
213.16374	2.6
215.14357	3.6
217.04961	1.4
217.12407	1.5
219.01741	1.8
223.14844	1.6
225.16353	8.5
227.17982	1.4
228.04126	4.9
229.04927	3.3
231.02925	1.8
241.19675	2.4
243.06560	1.4
243.13785	1.2
243.21074	5.9
245.04535	2.4
253.16008	2.6
253.19502	50.9
256.03650	6.5
257.04364	4.9
257.15561	2.1
259.06281	1.4
271.05988	13.1
271.20560	76.0
272.20773	1.3
273.04019	2.1
274.04770	7.2
281.04709	1.2
281.19003	5.1
284.03278	2.1
285.04016	1.7
287.05496	3.8
287.10269	2.2
287.20050	2.8
288.06226	2.9
299.05530	4.7
299.10172	1.2
299.16989	1.6
299.20047	41.0
302.04175	11.9
317.06586	100.0
317.10733	4.7
317.15500	6.9
317.21140	33.0
317.24127	1.5
318.06824	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	317.2112
Annotation	Didemnilactone A
Peak:m/z	Relative Intensity
52.09332	1.5
53.03932	2.0
55.01855	2.0
55.05509	11.7
56.96549	2.3
57.07055	5.0
59.04984	4.8
65.03915	2.6
67.05504	45.7
69.03415	5.1
69.07071	6.5
71.05001	1.6
79.05496	9.5
79.08525	1.1
81.03386	1.4
81.07056	29.4
83.04964	5.5
83.08628	6.5
85.06535	3.4
88.07642	1.9
91.05476	14.9
93.07041	18.9
95.04967	25.5
95.08082	1.6
95.08616	20.6
97.06554	6.7
100.02491	2.7
102.09216	2.2
105.07022	14.8
105.10915	1.2
107.04932	1.8
107.08598	35.0
109.06529	14.2
109.10156	78.7
109.57241	1.2
111.08067	2.8
117.07029	5.0
119.08582	50.0
121.06506	5.6
121.10134	9.9
122.07229	1.3
123.07207	1.6
123.08069	20.4
125.09623	1.6
128.06226	1.3
129.06985	1.8
130.07736	1.8
131.08548	9.0
132.00409	1.2
132.40366	1.2
133.06470	3.7
133.10110	10.4
135.08041	11.5
135.11658	3.9
137.05962	1.6
137.09615	53.6
139.03873	1.2
139.07486	1.8
142.07779	1.5
143.08592	6.9
145.10117	10.4
147.08043	5.4
147.11661	5.6
149.09595	5.7
151.07544	55.8
153.05472	5.2
153.09132	1.2
156.09354	3.4
157.10135	4.9
159.08049	3.2
159.11661	4.4
161.09647	9.0
161.13232	2.4
163.07544	1.4
163.11197	3.5
165.09076	4.0
167.06967	1.9
170.10828	1.8
171.11696	6.3
173.09601	2.9
173.13283	6.2
175.11176	2.8
177.09125	2.9
177.12743	1.3
179.10611	1.6
181.08615	4.0
181.12215	1.9
183.11681	2.4
185.13316	2.7
187.11365	1.8
187.14870	1.7
189.12759	20.6
191.10712	1.7
191.14328	1.4
197.13313	3.3
199.11244	2.5
199.14908	1.7
201.12679	1.6
203.14355	1.9
207.13803	19.7
211.14888	1.6
213.16582	1.3
215.10626	1.7
215.14305	4.9
217.12181	1.8
221.13399	1.4
221.15408	5.4
223.14864	1.8
225.12735	2.9
231.13756	1.5
233.15350	2.6
237.14862	5.2
241.15961	3.6
243.13748	7.3
256.16702	1.3
256.26395	3.9
259.16852	2.7
261.14792	3.9
281.19037	3.1
299.20044	11.0
317.06552	2.1
317.21100	100.0
318.21436	1.5
318.30069	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	317.2113
Annotation	TOTAROL-19-CARBOXYLIC ACID
Peak:m/z	Relative Intensity
55.05516	9.1
56.96561	1.3
58.24105	0.7
66.79688	0.7
67.05506	4.8
69.07049	2.6
69.82861	4.1
79.05500	3.9
81.07066	7.0
86.88766	0.7
88.07626	0.7
91.04973	1.4
91.05488	15.4
93.07050	10.3
95.04972	1.1
95.08614	8.1
97.10175	15.2
105.07043	19.5
107.04939	1.5
107.08601	6.1
109.06517	1.1
109.10159	17.1
111.72932	0.8
117.07011	3.4
119.04972	2.0
119.08590	34.8
121.10160	5.6
123.11739	3.8
129.07040	1.9
131.08571	5.0
133.06526	4.1
133.10147	9.4
135.11658	2.9
137.09550	0.9
141.07002	2.2
143.08572	4.6
145.10121	6.8
147.08057	14.4
147.11690	13.7
149.09608	2.6
149.13239	1.0
155.08527	2.8
157.10156	3.4
159.11678	2.9
161.09630	3.6
161.13235	3.4
163.11186	1.2
169.10138	4.4
171.11699	4.2
173.09570	1.4
173.13263	2.4
175.11197	21.1
177.12746	0.9
180.40286	0.8
183.11719	3.3
185.13211	2.1
187.11266	1.0
187.14775	0.9
189.12735	6.3
197.13248	3.1
201.12752	1.3
211.14825	2.8
215.14262	2.5
225.16380	1.5
227.17920	5.2
229.15894	5.6
229.19443	1.6
235.24164	0.9
238.17328	1.0
243.17479	8.9
243.21078	2.7
253.19543	27.0
253.22183	1.6
271.20584	100.0
272.20889	1.0
281.78217	0.8
317.21094	2.6
317.32446	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.2113
Annotation	Microclavatin
Peak:m/z	Relative Intensity
53.03926	1.1
55.01865	0.8
55.05509	1.0
56.05814	0.3
56.96561	0.8
57.03440	0.5
57.07070	0.3
60.04519	1.2
67.05511	4.1
69.03448	0.9
69.07042	0.4
69.67924	0.3
69.85186	1.7
69.85608	0.7
79.05494	5.1
81.03417	26.9
81.07054	5.6
83.04969	0.6
86.55121	0.4
88.84550	0.4
91.05476	7.1
93.07041	7.4
95.04969	8.3
95.08610	3.9
96.08901	0.4
97.06521	1.2
97.10139	0.6
98.36768	0.4
105.07025	6.6
107.04963	0.8
107.08595	4.8
109.06507	1.3
109.10156	1.9
111.08076	0.6
117.07011	4.4
119.08589	3.9
121.06546	2.2
121.10145	4.5
122.31290	0.4
123.08060	1.6
128.98524	0.4
129.07010	2.3
131.08578	9.2
133.06470	0.9
133.10136	3.0
135.08057	1.4
135.11693	1.1
137.09598	1.2
141.07027	1.3
142.07903	0.6
143.08557	3.4
145.06538	0.5
145.10127	4.8
147.08037	1.9
147.11700	2.4
148.08447	0.5
149.09630	6.8
149.13261	0.4
151.11095	0.4
155.08548	1.9
157.10136	3.9
159.08075	0.7
159.11688	3.4
161.09590	1.1
161.13284	0.8
163.11159	1.1
167.08536	1.3
169.10146	2.8
171.11729	2.8
173.09604	0.6
173.13225	1.2
175.11290	0.5
179.08533	0.5
181.10110	2.1
183.11636	2.7
185.09673	0.5
185.13251	1.7
187.11212	0.8
187.14825	4.0
189.12854	0.5
193.10181	1.0
195.11667	1.8
197.13269	2.2
199.11125	0.6
199.14886	1.9
205.15842	2.6
207.11758	1.2
209.13255	2.4
211.11307	0.4
211.14796	1.5
213.16403	0.5
215.14284	0.4
217.15930	0.7
221.13185	1.5
223.14793	2.4
225.16359	2.0
229.15900	0.4
235.14885	1.4
237.16370	0.7
239.14465	0.4
241.16060	0.9
243.17432	0.8
253.15897	3.1
253.19621	2.3
255.17410	0.5
263.17914	2.0
271.20651	0.6
281.19000	7.7
299.20026	6.7
317.21109	100.0
317.32336	1.4
318.21463	1.5
318.29953	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.2112
Annotation	Didemnilactone A
Peak:m/z	Relative Intensity
55.01855	1.5
55.05506	8.3
56.96548	1.8
57.03423	1.4
57.07079	10.1
57.13359	1.2
58.06575	1.3
59.04986	3.8
65.03926	1.9
67.05190	2.1
67.05509	28.3
69.03411	5.2
69.07043	4.1
70.00318	4.1
70.00707	2.6
70.06595	13.5
71.04996	1.8
71.08638	2.2
75.20110	1.3
77.03885	1.5
79.05492	6.5
81.06667	1.6
81.07068	19.5
83.04994	2.4
83.08605	4.0
85.02871	1.7
85.06530	2.4
87.04456	4.4
87.32573	1.1
88.07109	1.2
88.07636	22.5
89.02151	1.4
91.05062	1.0
91.05494	11.6
93.07056	10.5
95.04978	16.5
95.08604	11.6
97.06512	5.2
102.08678	1.1
102.09188	11.4
105.07045	12.6
107.08602	25.0
109.06512	11.4
109.10159	46.9
111.08108	1.5
117.07063	3.2
119.08587	32.2
121.06487	4.2
121.10162	7.1
123.08072	13.7
125.05988	1.8
129.06985	2.1
131.08557	5.0
133.06508	2.1
133.10086	5.0
135.08078	5.7
135.11661	2.1
137.05872	1.6
137.09628	35.5
139.29671	1.2
143.08565	3.6
145.10112	6.4
147.08012	2.4
147.11673	4.1
149.09593	3.8
151.07544	35.2
153.05464	3.9
155.10625	1.2
157.10106	3.9
159.08043	2.3
159.11656	4.7
161.09647	7.8
163.07608	1.7
163.11168	2.5
165.09126	3.1
167.07004	1.3
167.52995	1.2
171.11684	4.0
173.09589	1.4
173.13199	2.3
175.11151	3.2
175.14835	1.6
177.09050	2.3
179.10635	1.4
181.08580	2.6
181.10150	1.4
181.12288	1.4
183.11649	1.9
185.13297	1.5
189.12755	16.6
191.14412	1.2
197.13339	2.2
199.11096	2.1
199.48950	1.2
201.12689	1.6
203.14232	2.4
205.12079	1.1
207.13766	16.6
213.12866	1.2
213.16464	1.3
215.14319	3.4
221.15320	2.9
223.14867	2.4
225.12898	1.7
233.15440	2.9
237.14914	6.4
241.15973	2.2
243.13765	4.3
256.26367	38.8
257.26758	2.4
261.14795	3.9
271.61929	1.2
288.92203	1.4
299.20044	9.0
300.28729	1.4
302.04340	2.0
317.06589	1.6
317.18002	1.1
317.21078	60.3
317.28897	8.9
318.30026	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.1209
Annotation	Unknow
Peak:m/z	Relative Intensity
52.77292	0.4
55.01854	0.5
55.05507	0.6
56.96556	0.7
60.04525	0.4
60.95897	0.4
62.92991	0.5
67.05505	0.6
69.24926	3.4
70.06582	1.0
72.08145	1.4
79.05484	0.5
81.03413	0.4
81.07056	0.8
84.08131	1.1
85.02901	1.0
86.09711	1.2
88.11724	0.4
91.05454	0.8
93.07014	0.5
95.04968	0.6
95.08547	0.4
96.17120	0.4
98.21582	0.6
98.97627	1.1
105.07030	0.7
107.04916	0.4
123.04433	1.1
126.12817	0.5
129.10207	0.5
147.04419	0.8
151.03847	0.5
156.81712	0.4
158.11794	0.4
158.99661	0.5
165.05475	1.2
181.04897	0.7
194.11768	0.7
216.87006	0.4
254.13881	1.8
259.11548	5.2
267.92276	0.4
271.20450	0.4
273.03870	0.6
281.15128	0.4
287.10397	0.5
299.11111	2.1
299.30865	0.4
315.11420	0.4
317.12079	100.0
318.12448	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	316.2274
Annotation	Unknow
Peak:m/z	Relative Intensity
52.45821	0.3
53.03940	0.9
53.29605	0.4
55.01862	0.5
55.05511	0.8
56.42580	0.3
56.96564	2.2
67.05503	0.9
69.07070	0.9
69.52247	1.2
69.52660	1.0
70.06575	1.3
77.03957	0.4
80.05025	0.5
81.03406	0.4
81.07072	1.4
83.04965	0.4
83.06105	1.1
85.02896	0.6
91.05489	4.1
93.07045	10.8
95.04958	0.8
95.08612	1.3
96.08119	0.5
97.02884	0.4
97.06515	2.6
98.06071	0.8
98.09710	0.7
98.97596	1.3
103.05476	4.2
105.07019	0.6
107.04926	0.6
107.08601	0.9
109.10161	0.4
110.09686	1.0
119.08562	0.4
121.06510	69.5
122.06924	0.5
122.09671	1.0
123.10407	0.5
123.11713	0.4
124.11179	0.4
124.99124	1.0
131.08652	0.4
135.11665	0.6
136.11223	2.3
143.00162	1.3
147.78708	0.3
150.12767	1.2
152.14352	28.7
163.03911	1.3
164.11690	0.4
168.93489	0.4
173.02377	1.1
196.16937	2.4
200.10730	2.5
200.12524	0.6
214.18224	0.3
215.07047	1.0
218.11777	3.3
218.15411	0.7
231.01765	0.6
242.15448	1.3
243.14084	0.4
245.05717	0.9
249.02863	0.9
251.16833	0.4
254.06088	0.8
259.09689	2.3
260.10190	1.2
267.03860	0.6
271.20547	0.5
272.20099	80.3
273.20459	0.9
289.07159	0.4
298.18985	0.8
299.19958	0.4
302.10052	0.7
316.22739	100.0
317.12518	3.2
317.23505	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	316.2272
Annotation	Bremazocine
Peak:m/z	Relative Intensity
53.03932	0.6
55.05493	1.8
56.96550	0.8
60.30281	0.4
67.05520	2.2
68.05012	1.4
69.07060	2.3
70.06592	7.6
70.52026	0.8
71.04971	0.5
71.64868	0.4
80.13039	0.4
81.07052	4.0
83.08602	1.0
91.05476	2.6
93.07035	2.5
95.08614	5.0
96.08132	1.2
98.21445	0.4
98.97584	0.9
100.07610	3.5
102.49689	0.5
105.07030	15.6
106.49358	0.4
107.08576	2.8
108.08100	1.6
108.08799	0.3
108.38364	0.4
109.10159	2.3
114.05515	1.7
116.07081	0.7
117.07016	1.5
119.08581	11.9
120.08128	0.6
121.10125	1.1
122.09631	1.9
123.11730	0.7
128.07085	4.5
130.07751	0.5
131.08542	2.8
133.10135	5.5
134.09689	0.5
137.13179	0.5
140.10683	0.5
142.08649	3.0
143.08531	0.6
145.10121	7.4
147.11713	3.5
148.11179	1.1
154.08568	3.0
159.11673	2.8
160.12573	0.6
161.13297	0.8
164.07072	0.5
168.10201	14.5
171.11742	0.7
173.13260	1.1
175.14833	9.2
178.08644	3.9
180.10291	0.5
182.11789	0.5
188.14449	0.7
191.03432	0.5
192.10245	1.0
193.11018	0.7
194.11740	4.9
200.14371	0.5
201.16386	5.5
202.15910	1.4
203.17912	1.0
232.13318	1.1
233.14204	0.4
234.14980	0.6
246.14946	1.0
247.15607	1.1
256.20599	0.9
260.16476	4.5
286.18002	6.2
301.20349	2.7
316.22708	100.0
317.23117	1.2
329.43164	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	316.1392
Annotation	Unknow
Peak:m/z	Relative Intensity
52.96117	0.3
53.03943	0.6
55.01872	1.1
55.05510	0.9
56.96563	0.6
57.03439	1.4
59.05009	2.6
61.02929	2.0
67.05511	0.4
68.38224	0.2
69.03438	5.1
69.07081	0.5
69.19567	2.5
70.06596	1.5
71.01344	0.3
71.04995	1.4
72.05319	0.5
72.08137	0.5
73.02919	1.2
74.83231	0.3
78.03455	0.7
79.05505	0.6
81.03419	2.3
81.07049	0.7
83.04985	0.6
84.08143	1.3
85.02908	15.9
86.09714	1.2
87.04470	1.1
88.03999	0.9
91.03957	0.7
91.05499	1.1
93.07056	1.2
94.07388	0.6
95.04979	0.4
96.04496	100.0
97.02899	4.6
97.04852	0.3
98.97591	0.6
99.04475	0.9
101.06016	0.3
105.07040	1.1
106.05029	0.4
106.07397	0.5
107.04929	0.4
107.08624	1.3
108.08925	0.8
109.02873	1.7
109.06520	0.7
109.10137	0.5
110.06850	0.4
110.10469	0.4
115.03957	0.5
117.07005	0.3
119.07343	0.4
119.08575	0.8
120.08900	0.8
123.00687	0.3
123.04442	0.5
124.04787	0.3
124.07576	0.9
124.08389	0.4
127.03930	3.0
129.10246	0.4
131.55811	0.3
132.08948	0.4
133.04962	0.6
133.10124	0.4
135.08037	0.3
136.07576	3.2
136.12042	0.5
138.09120	0.7
145.04979	2.8
145.10127	0.4
146.10522	0.4
147.04408	0.3
148.08446	0.3
149.00630	0.3
149.09633	0.4
151.00117	1.2
153.05463	0.6
154.08635	73.7
155.08914	0.3
157.10143	0.3
160.12016	0.3
163.03944	0.7
163.07484	0.3
164.04321	0.4
165.05484	0.4
165.12767	0.3
166.13052	1.0
166.99539	0.3
169.03220	0.4
173.09732	0.3
174.09883	0.5
174.13635	0.4
176.08031	0.3
194.09412	2.2
194.99054	0.5
195.04704	0.4
195.99922	0.6
198.13469	0.3
208.13376	0.4
209.02820	0.3
211.02141	2.7
211.13264	0.6
215.06256	0.3
216.80464	0.3
218.18524	0.3
223.14404	0.3
226.14250	0.5
227.07404	0.8
237.02798	0.3
250.15082	0.3
253.08647	0.6
258.07858	0.4
262.15186	0.5
270.11124	0.6
280.16183	0.3
281.08151	0.4
283.42404	0.3
299.09387	0.7
316.05121	0.5
316.08530	0.4
316.13980	5.2
316.19867	0.6
317.11655	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.1955
Annotation	Unknow
Peak:m/z	Relative Intensity
54.75563	1.2
55.01853	1.2
55.05513	1.6
56.96566	3.3
57.03448	1.6
62.34895	1.3
65.03933	1.7
67.05500	12.5
69.82813	3.8
69.83233	2.8
70.06580	2.9
71.04971	1.7
79.05494	14.5
81.07066	9.4
85.02901	2.5
89.75228	1.3
91.05487	33.1
93.07047	19.5
95.04977	3.7
95.08609	6.5
97.02876	2.1
97.06519	2.1
98.97590	12.2
103.05424	2.0
105.07034	14.2
107.04945	2.2
107.08601	9.7
107.95708	1.3
109.06522	1.7
109.10148	2.3
115.05461	2.7
116.98643	1.6
117.07022	13.5
119.08583	50.4
121.06509	5.1
121.10138	12.5
123.04504	1.7
128.98613	2.9
129.06969	1.9
131.04953	1.6
131.08565	4.4
133.10155	9.9
135.08064	13.7
135.11707	13.7
137.09612	5.1
137.54831	1.5
143.08549	3.9
145.06487	37.6
145.10133	15.5
147.04416	5.1
147.08051	100.0
149.09581	9.4
151.11214	2.4
155.08571	1.8
157.10190	1.7
158.99690	3.1
159.08063	11.7
159.11699	1.4
161.06032	2.8
161.09618	8.6
163.03929	2.3
163.07545	10.3
163.11183	32.4
165.09111	16.5
170.99690	1.4
171.08051	7.5
171.11801	1.5
173.09624	6.0
175.11253	2.6
177.09070	2.7
183.07947	2.2
185.09695	4.4
187.11192	4.0
191.03357	1.6
195.11711	1.6
197.09642	5.4
199.11226	3.9
199.78363	1.3
201.12717	1.4
203.10645	1.6
204.54015	1.8
208.08839	1.8
209.09618	2.3
211.11229	1.4
213.12556	1.5
219.01781	2.4
223.11189	3.7
237.02867	2.3
237.12828	3.4
251.14351	2.1
255.17766	2.6
257.58121	1.3
269.19104	1.3
274.09723	6.2
279.17447	19.1
283.10080	11.7
283.60339	2.5
297.18503	85.2
314.59735	2.0
315.13474	2.0
315.19852	17.9
315.23489	2.4
329.17383	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	315.1956
Annotation	15-Hydroxy-6-en-dehydroabietic acid
Peak:m/z	Relative Intensity
53.03944	2.4
54.91724	1.0
55.01869	3.8
55.05499	3.1
56.79278	1.0
57.03428	2.9
61.44520	1.1
67.05508	9.6
69.07066	2.5
70.77641	1.5
70.77991	2.2
72.08159	1.4
79.05501	17.6
81.03415	4.8
81.07059	19.5
83.04932	1.2
89.18710	1.2
91.05482	25.6
93.07045	25.5
95.04963	10.6
95.08609	15.0
97.02907	2.6
97.06523	2.9
98.97585	1.9
103.05450	4.2
105.07036	22.7
105.25283	1.1
107.04964	21.4
107.08593	12.8
109.06516	10.8
109.10158	7.8
110.74451	1.0
111.08119	1.3
115.05455	1.8
117.07018	11.8
119.04934	3.1
119.07802	1.7
119.08588	16.9
121.06510	40.0
121.10136	5.9
122.02112	1.1
123.08056	5.1
123.11668	1.5
128.06213	2.3
129.07033	10.2
131.04935	38.9
131.08553	13.0
133.06505	11.6
133.10132	11.0
135.08026	5.2
135.11685	11.8
140.24167	1.0
141.06985	4.7
143.08553	14.5
145.06488	17.1
145.10127	14.0
147.08061	15.2
147.11678	7.1
149.05966	4.5
149.09622	1.8
151.07591	1.1
155.08566	7.8
155.87572	1.1
157.06508	10.7
157.10149	7.1
159.08052	7.9
159.11705	4.6
161.09645	4.5
161.13235	5.4
163.03918	1.8
163.07574	2.3
163.11224	1.4
165.07013	1.6
166.07767	1.4
166.99471	1.0
167.08621	5.4
169.06543	1.7
169.10155	5.4
170.78392	1.2
171.08049	8.4
171.11681	3.1
171.76511	1.1
173.09685	5.0
173.13202	2.2
175.07567	1.7
175.11226	3.9
179.08553	2.5
180.09352	1.5
181.06488	1.6
181.10100	5.5
183.08047	10.1
183.11691	3.6
185.09590	6.3
185.13266	3.3
187.11162	3.8
193.10161	2.9
195.08078	3.9
195.10162	1.0
195.11696	6.4
197.09631	4.7
197.13266	8.4
199.11208	4.2
199.14917	1.8
201.12752	2.9
203.14340	2.0
207.11629	1.2
208.08873	1.4
209.09628	4.1
209.13297	4.1
211.11191	1.4
211.14845	3.7
213.12715	1.7
214.91826	1.1
215.22694	1.1
221.13284	2.1
223.11180	7.4
223.14839	4.3
225.12810	2.2
227.14388	2.6
233.13272	1.7
235.14780	1.5
237.12793	8.0
239.14320	6.4
241.12120	1.7
241.15979	2.0
243.13828	1.8
251.14265	8.5
251.17972	5.0
253.15999	1.3
261.16391	1.9
269.15405	3.2
269.18997	11.6
279.17435	40.7
283.09769	1.1
297.18512	67.9
297.88605	1.2
315.19562	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	315.1955
Annotation	all-trans-4-Oxoretinoic acid
Peak:m/z	Relative Intensity
54.75563	1.2
55.01853	1.2
55.05513	1.6
56.96566	3.3
57.03448	1.6
62.34895	1.3
65.03933	1.7
67.05500	12.5
69.82813	3.8
69.83233	2.8
70.06580	2.9
71.04971	1.7
79.05494	14.5
81.07066	9.4
85.02901	2.5
89.75228	1.3
91.05487	33.1
93.07047	19.5
95.04977	3.7
95.08609	6.5
97.02876	2.1
97.06519	2.1
98.97590	12.2
103.05424	2.0
105.07034	14.2
107.04945	2.2
107.08601	9.7
107.95708	1.3
109.06522	1.7
109.10148	2.3
115.05461	2.7
116.98643	1.6
117.07022	13.5
119.08583	50.4
121.06509	5.1
121.10138	12.5
123.04504	1.7
128.98613	2.9
129.06969	1.9
131.04953	1.6
131.08565	4.4
133.10155	9.9
135.08064	13.7
135.11707	13.7
137.09612	5.1
137.54831	1.5
143.08549	3.9
145.06487	37.6
145.10133	15.5
147.04416	5.1
147.08051	100.0
149.09581	9.4
151.11214	2.4
155.08571	1.8
157.10190	1.7
158.99690	3.1
159.08063	11.7
159.11699	1.4
161.06032	2.8
161.09618	8.6
163.03929	2.3
163.07545	10.3
163.11183	32.4
165.09111	16.5
170.99690	1.4
171.08051	7.5
171.11801	1.5
173.09624	6.0
175.11253	2.6
177.09070	2.7
183.07947	2.2
185.09695	4.4
187.11192	4.0
191.03357	1.6
195.11711	1.6
197.09642	5.4
199.11226	3.9
199.78363	1.3
201.12717	1.4
203.10645	1.6
204.54015	1.8
208.08839	1.8
209.09618	2.3
211.11229	1.4
213.12556	1.5
219.01781	2.4
223.11189	3.7
237.02867	2.3
237.12828	3.4
251.14351	2.1
255.17766	2.6
257.58121	1.3
269.19104	1.3
274.09723	6.2
279.17447	19.1
283.10080	11.7
283.60339	2.5
297.18503	85.2
314.59735	2.0
315.13474	2.0
315.19852	17.9
315.23489	2.4
329.17383	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	315.1956
Annotation	all-trans-4-Oxoretinoic acid
Peak:m/z	Relative Intensity
53.03877	0.9
55.01812	1.5
55.05444	1.3
55.05674	0.9
56.96479	2.8
56.96776	1.1
57.03371	0.8
60.95628	0.8
66.39529	0.6
67.05408	6.1
67.05791	1.5
67.93858	0.7
69.03357	1.6
69.06994	1.7
71.04919	1.6
79.05393	8.9
81.03318	11.7
81.06955	6.1
81.07471	1.3
83.04907	1.4
83.08526	0.8
85.06470	0.9
86.09601	0.7
91.05476	7.6
93.07041	12.3
95.04859	8.0
95.08608	5.3
97.06432	2.3
97.10105	1.0
98.97533	1.1
99.07874	0.6
103.05395	0.9
105.07031	14.8
107.04847	3.2
107.08598	9.8
107.64921	0.8
109.06522	6.4
109.10055	5.0
111.08053	0.8
113.09512	2.3
115.05392	0.7
117.06908	3.1
119.04868	1.4
119.08582	6.4
121.06514	7.5
121.10154	9.0
123.04362	1.1
123.08089	3.3
125.09600	0.8
128.06169	1.1
129.06981	3.3
131.04942	5.5
131.08591	3.7
133.06497	17.6
133.10153	3.9
135.04283	0.8
135.08101	4.7
135.11688	3.7
137.05856	0.8
137.09584	1.1
139.81941	0.6
143.08536	3.9
145.06480	9.6
145.10130	6.9
147.08049	43.7
147.11577	2.3
149.05917	0.9
149.09532	2.7
155.08456	2.2
157.06479	1.5
157.10153	4.1
159.07944	2.1
159.11642	3.6
161.09615	5.0
161.13216	1.5
163.03821	0.9
163.11168	3.4
169.10025	3.1
171.08035	4.2
171.11678	8.6
173.09633	4.5
173.13188	1.0
175.11092	2.0
181.10043	2.2
183.08008	1.5
183.11653	1.4
185.01088	1.0
185.09521	2.8
185.13138	2.5
187.11111	2.3
189.12738	0.8
191.03409	5.3
193.10175	1.1
195.08069	0.9
195.11623	2.9
197.09607	3.7
197.13148	2.9
199.11179	3.5
203.14226	1.2
207.11679	1.2
209.13214	2.1
211.11050	0.9
211.14731	1.4
213.12666	2.5
215.14296	3.6
223.11165	2.8
223.14806	1.4
224.11882	0.8
225.12675	1.4
229.07428	1.5
235.14888	5.7
237.12720	1.0
237.16313	2.2
238.13472	1.4
239.14275	4.2
241.12172	1.5
251.14258	2.4
251.18005	2.2
253.15891	45.6
255.17464	7.7
257.13791	0.9
259.06058	1.0
261.16083	1.0
269.18954	5.0
279.17441	19.6
294.56836	1.2
297.18500	100.0
298.19037	1.1
301.07138	0.9
303.07004	1.2
305.07004	2.9
315.07922	2.2
315.19565	55.7
315.22760	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.1957
Annotation	15-Hydroxy-6-en-dehydroabietic acid
Peak:m/z	Relative Intensity
53.03936	2.2
55.01857	3.3
55.05505	2.5
57.03431	2.1
65.03940	1.1
67.05502	11.5
69.03419	1.3
69.07050	3.1
69.32324	8.9
79.05493	13.5
81.03415	5.9
81.07057	17.0
83.04961	2.6
91.05479	22.7
93.07047	22.3
95.04980	6.8
95.08601	13.9
97.02903	7.5
97.06537	2.9
98.21520	2.2
103.05463	3.2
105.07034	21.7
107.04955	15.0
107.08582	12.4
108.94312	1.1
109.06518	7.2
109.10168	7.2
111.04411	2.0
115.05414	1.5
117.07016	10.9
119.04942	2.1
119.08577	17.1
121.06506	26.1
121.10144	5.6
123.08067	3.3
123.11687	1.3
128.06206	3.2
129.06996	8.4
131.04932	27.2
131.07684	1.8
131.08572	11.9
133.06503	7.2
133.10115	10.9
135.08040	4.6
135.11693	7.7
137.06021	1.7
137.09572	1.3
139.07523	1.8
141.06981	4.4
142.07735	1.3
143.08559	13.5
145.06493	13.6
145.10129	13.1
147.08064	9.7
147.11662	6.3
149.05977	2.9
149.09608	2.5
149.13339	1.2
153.07022	1.7
155.08566	7.8
157.06506	7.0
157.10152	10.9
159.06802	0.9
159.08011	5.4
159.11699	6.8
161.05984	1.3
161.09659	3.4
161.13283	3.6
163.07573	1.9
163.11177	1.1
165.07031	2.3
165.09164	2.0
167.08562	3.7
169.06438	2.4
169.10152	6.1
171.08122	6.0
171.11745	4.9
173.09637	3.5
173.13237	2.8
175.11143	3.9
178.07782	1.1
179.08546	2.7
181.06485	1.3
181.10115	7.7
183.08072	6.8
183.11674	4.6
185.09631	4.3
185.13286	3.6
187.11174	2.7
187.14836	2.9
189.09065	1.2
189.12666	1.6
193.10062	2.7
195.08092	3.9
195.11707	6.6
197.09685	5.5
197.13284	5.8
197.96519	1.1
199.11214	2.5
199.14861	8.6
201.12675	2.2
203.10657	1.7
203.14351	2.3
204.09340	1.0
205.10086	1.4
207.11757	1.9
209.09685	3.5
209.13177	4.7
211.11208	2.7
211.14859	2.5
213.16286	1.2
215.14395	2.8
217.15877	1.9
219.11694	2.6
221.13223	2.6
223.11234	5.3
223.14796	4.4
224.11900	1.1
225.12708	1.8
233.13147	1.7
235.14821	2.2
237.12743	5.7
237.16370	2.9
239.14354	3.6
241.15977	2.3
241.19405	1.1
251.14334	5.0
251.17970	8.3
253.15926	2.9
255.10297	1.2
255.13760	1.8
255.17409	1.4
261.16409	2.7
267.17477	1.1
269.15598	2.4
269.19028	11.8
279.17468	39.2
279.20593	2.1
283.09839	1.5
287.20062	2.5
297.18503	58.5
311.29428	1.0
315.19565	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	315.1957
Annotation	Crotonkinensin B
Peak:m/z	Relative Intensity
51.10286	1.3
53.03934	3.3
55.01865	3.5
55.05504	3.5
56.96564	4.3
57.03435	3.2
67.05515	10.6
69.03412	3.7
69.07052	3.6
70.55544	2.5
70.55907	2.4
71.05006	1.3
73.25253	1.2
79.05497	15.6
81.03408	3.9
81.07064	18.5
83.04984	1.8
83.33043	1.2
87.37757	1.1
91.04980	2.1
91.05488	25.6
93.07043	24.0
95.04964	7.6
95.08627	13.2
97.02882	2.7
97.06528	4.2
98.97592	2.4
103.05456	2.3
105.07035	22.4
107.04957	18.6
107.08604	12.5
109.06505	9.8
109.10158	9.2
111.04467	1.2
111.08079	1.6
115.05441	1.6
117.07024	10.1
119.04926	3.3
119.08585	17.6
119.12191	1.2
121.06512	35.1
121.07387	2.0
121.10123	4.6
123.08068	3.6
123.11673	2.3
124.99085	1.6
128.06168	1.9
129.07011	8.4
131.04930	41.1
131.08556	9.8
133.06505	9.8
133.10126	11.1
135.08060	4.6
135.11716	8.6
137.09604	1.3
140.67268	1.2
141.07005	2.6
142.07739	1.9
143.08571	13.8
145.06485	13.7
145.10126	17.2
147.08034	10.9
147.11700	7.9
149.05972	7.6
149.09610	2.0
153.07076	1.4
155.08563	4.8
157.06471	10.8
157.10165	7.1
159.08073	6.2
159.11713	4.5
161.05939	1.2
161.09673	3.7
161.13313	5.1
163.03958	3.6
163.07530	2.7
167.08563	4.5
169.06454	3.4
169.10150	4.4
171.08006	6.5
171.11700	3.9
173.09645	5.7
173.13211	2.0
175.11214	4.0
179.08546	3.4
181.06500	2.0
181.10165	5.8
183.08052	8.7
183.11710	4.8
185.09648	5.5
185.13252	3.3
187.11174	2.2
189.12730	1.5
193.10152	2.2
195.08020	3.8
195.11697	7.2
197.09633	5.8
197.13316	4.2
199.11185	3.4
199.14774	1.9
201.09119	1.7
201.12796	2.7
203.14380	1.7
205.10190	2.7
209.09663	4.3
209.13225	2.9
211.11229	3.5
211.14737	1.8
213.12819	1.9
213.16328	1.4
219.11850	2.0
221.13181	3.7
223.11243	7.9
223.14819	4.8
224.91571	1.5
225.12787	1.5
225.16393	1.6
227.14276	1.9
231.01839	1.6
233.13408	2.1
235.14822	2.4
236.05167	1.6
237.12712	6.7
237.16397	1.4
239.14287	8.2
241.15932	2.4
242.45509	1.3
249.02852	2.1
251.14314	6.6
251.17952	5.0
253.15912	2.1
259.09653	3.3
261.16434	2.4
267.03912	1.5
269.15598	2.7
269.18964	10.4
279.17435	38.1
283.06329	4.0
283.09509	1.9
297.18497	63.2
315.19547	100.0
316.19608	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.1803
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	10.5
55.01870	28.1
55.05512	48.3
56.96572	9.7
57.03440	29.5
58.16376	4.0
59.04984	6.8
61.02915	17.4
67.05498	14.2
69.03426	44.6
69.07068	21.6
71.01346	8.0
71.02744	9.3
71.04992	70.4
73.02917	26.4
79.05493	33.0
79.77814	3.7
81.03407	16.0
81.07056	40.0
83.04958	10.8
83.08598	4.0
85.02905	70.2
87.04475	7.5
88.16978	3.4
88.68626	3.7
91.05485	74.0
93.07053	73.8
95.04959	18.2
95.08600	28.0
96.03994	5.3
96.04504	53.5
97.02884	25.9
97.06516	8.9
98.97587	6.1
99.04437	5.4
103.03937	15.6
103.16973	4.7
105.07034	87.2
107.04942	7.1
107.08607	80.3
109.02866	4.4
109.06522	35.6
109.10154	37.4
111.04446	6.4
111.08067	6.8
115.03918	21.8
115.05402	4.7
117.07021	20.0
119.04947	6.1
119.08586	79.9
121.06496	15.4
121.10141	17.2
123.04430	44.1
123.08076	29.0
123.11676	5.5
125.09600	5.0
127.03892	12.2
127.11178	9.8
128.06224	7.3
129.05490	7.4
129.07021	10.1
130.07809	5.8
131.08572	44.7
133.04967	39.1
133.06488	14.3
133.10143	14.6
135.08057	9.3
135.11673	37.2
137.06010	4.9
137.09642	12.3
142.07788	9.9
143.08578	23.4
145.05000	7.1
145.06458	9.2
145.10143	37.4
147.04416	11.5
147.08052	35.4
147.11671	14.6
149.00552	5.2
149.09615	16.3
150.00858	10.9
151.07570	6.9
151.11182	12.6
153.12712	19.3
154.08640	39.8
155.08543	12.6
157.10133	7.2
159.08032	11.8
159.11693	17.4
161.09650	8.6
161.13167	4.3
163.03917	38.9
163.07552	7.3
163.11160	19.5
165.05464	9.7
165.12759	100.0
165.14140	6.3
167.08513	4.0
169.10109	5.0
171.08101	8.2
171.11659	11.4
173.09604	34.5
173.13274	16.2
175.07579	7.6
175.11235	5.3
177.12735	30.4
177.59584	5.6
183.11662	8.3
187.11150	6.5
189.12833	21.5
191.10732	7.4
193.08617	4.7
193.99986	8.2
195.00652	5.8
195.11693	5.4
195.13722	10.1
197.13303	13.3
201.12770	9.0
205.12071	5.0
207.13791	13.1
209.02747	7.6
210.03017	26.1
213.05415	3.8
215.14209	4.2
219.13780	19.9
230.39235	4.2
231.13826	10.9
237.15073	5.5
243.13806	14.9
251.17969	8.4
261.14890	19.0
269.12650	4.7
269.19098	7.5
279.15839	18.1
287.05490	9.3
297.17206	16.3
315.04944	20.4
315.08118	11.2
315.14352	6.4
315.18954	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	315.1206
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20481	4.4
55.05504	10.0
56.96566	24.9
59.05007	5.9
61.02957	5.6
67.05515	20.7
68.30647	4.5
69.03447	6.9
69.07068	12.4
69.34342	4.3
71.04974	5.8
76.59451	4.0
79.05484	16.1
81.03415	12.0
81.07059	19.8
82.01917	4.6
83.04993	4.8
83.08618	5.7
85.02914	6.1
91.05486	14.8
92.05070	4.1
93.07037	16.9
95.04973	11.5
95.08587	13.2
97.02879	10.1
97.06505	14.2
98.97562	10.7
99.04453	6.4
105.07024	14.2
107.04986	7.2
107.08589	14.7
109.02851	5.3
109.10150	11.6
111.04441	6.0
115.84401	3.7
116.98685	6.2
117.06979	7.2
119.08607	15.9
121.06516	17.7
121.10162	13.1
130.34663	4.8
131.04935	6.2
131.08591	7.6
133.06516	7.4
133.10153	8.2
135.04449	5.9
135.08015	5.8
137.94334	4.4
143.00262	5.7
143.08614	8.0
145.10124	8.5
147.04483	5.1
147.08093	7.1
147.11687	7.4
155.08603	4.4
161.06007	12.5
161.09612	4.5
163.03900	14.2
163.11142	4.7
165.06973	4.3
171.11864	4.9
191.03421	8.7
191.07036	6.1
208.05115	4.5
211.07347	91.1
211.09291	3.3
215.44879	4.1
217.07437	6.7
223.07558	4.6
227.04744	4.8
229.07512	15.9
247.08646	6.1
255.10158	5.3
259.09668	9.5
269.18948	5.2
279.17392	10.3
283.09683	22.6
294.06396	13.2
297.18610	13.5
307.45938	4.1
315.08365	16.5
315.12024	100.0
315.15689	8.0
315.19550	35.5
315.23114	8.9
316.22592	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	315.1003
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	0.7
56.96567	7.6
57.03416	0.9
61.02911	0.8
63.02368	0.9
67.05513	0.6
69.03424	2.3
70.06589	1.4
70.58514	1.7
70.98118	0.9
72.08153	1.2
72.13187	0.6
73.02895	1.0
79.05487	2.0
80.88609	0.5
81.03426	1.0
83.04972	0.6
84.04502	0.7
84.08170	2.8
84.96049	1.0
85.02905	3.3
89.03928	16.9
89.04482	0.9
90.04288	0.7
95.04977	1.2
97.02903	9.7
98.03239	4.4
98.97584	5.7
101.00905	3.7
107.04970	3.7
110.97512	0.9
111.04434	0.9
112.60821	0.6
113.00883	1.2
116.98622	3.2
117.03385	12.8
118.03703	1.0
119.01929	5.5
121.02862	0.9
121.06498	1.2
124.99118	2.1
127.02445	0.7
127.03871	0.9
127.05084	0.6
128.02287	0.7
128.98595	1.1
129.03929	0.7
129.10295	0.8
131.00145	0.6
131.01897	2.2
131.49649	0.5
133.03470	0.6
134.99651	1.1
135.04428	21.7
136.04781	1.3
136.06198	14.4
137.06654	7.9
138.93378	0.6
140.98502	0.5
141.02263	0.6
143.00191	4.1
143.01903	10.9
144.02029	0.9
145.02789	12.4
146.03230	0.9
146.99672	1.3
152.98717	0.7
155.01894	3.0
156.97520	1.2
157.03525	1.1
158.99699	0.7
159.03261	0.9
159.04987	1.1
161.01231	2.6
161.02968	10.2
162.03078	1.3
163.03920	100.0
164.04266	8.0
164.07066	0.8
165.00764	0.8
169.03523	1.3
170.99472	1.3
171.05067	1.3
172.97664	0.7
173.01436	0.9
173.02975	3.4
173.06622	3.1
174.98592	0.8
175.04419	0.7
177.00755	0.6
177.84996	0.5
179.03566	0.9
180.04121	0.9
185.01227	1.8
185.02965	1.6
185.06618	3.2
187.02832	0.8
187.04448	1.1
189.00516	0.9
191.02267	0.8
194.99113	1.9
195.08752	3.8
197.02948	1.6
198.98573	2.4
203.02299	1.7
203.04022	2.2
203.07697	1.7
205.00200	1.2
205.03818	0.7
213.00102	7.0
215.03998	1.0
215.07654	1.4
221.03001	1.8
221.05125	2.9
223.01151	0.9
225.07851	1.6
227.07677	1.0
229.03735	0.7
231.01477	1.6
235.06880	0.6
237.00705	1.6
239.04010	0.9
243.01221	0.9
245.05101	1.0
249.02838	2.0
251.04445	5.8
255.01610	1.2
257.05215	0.8
267.04022	1.5
269.05539	3.5
273.02429	0.7
274.08130	0.6
275.07068	0.7
275.09790	3.8
285.04526	0.8
287.09756	1.0
290.54794	0.5
292.08820	0.7
293.10776	9.2
294.06561	0.6
294.11047	1.5
297.08203	1.0
306.01669	0.6
315.03296	12.1
315.07544	4.8
315.19009	0.5
319.03635	0.7
333.02527	0.6
333.08533	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.0864
Annotation	3,6-Dihydroxy-5,7-dimethoxyflavone
Peak:m/z	Relative Intensity
56.59493	0.2
56.96537	0.2
61.71674	0.2
65.54758	0.2
67.05492	0.3
69.38874	0.3
69.39276	1.3
72.05354	0.2
79.09052	0.2
81.07067	0.5
93.07066	0.3
95.04933	0.3
98.97596	0.2
99.06525	0.2
105.07021	0.4
109.10123	0.2
116.65487	0.2
119.08582	0.4
121.06493	0.5
124.01558	0.2
133.10016	0.2
147.08038	0.3
159.11777	0.2
167.03381	1.1
171.48274	0.2
179.45450	0.2
201.05391	0.3
243.06628	1.3
257.04449	1.2
271.06024	0.5
272.06799	37.6
273.07257	0.3
283.06216	0.3
283.09689	0.2
285.03992	0.3
297.18433	0.4
300.06290	52.8
301.06580	0.5
315.08621	100.0
316.08908	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	314.1962
Annotation	Heleurine N-oxide
Peak:m/z	Relative Intensity
55.01870	0.6
55.05521	0.5
67.05511	1.9
68.05029	1.5
69.03413	0.5
69.05816	1.7
69.07067	0.6
69.35812	2.4
69.69199	0.3
70.06594	37.1
71.04993	3.4
72.08170	0.4
79.05495	1.3
81.03416	0.4
81.07063	1.5
82.06586	0.8
83.04973	1.0
83.07366	1.9
83.08613	0.6
84.08157	1.3
85.02936	0.4
88.03996	0.4
91.05481	0.9
93.07047	1.5
95.04963	0.6
95.08615	0.7
96.08160	0.9
97.02889	0.3
97.06535	0.6
98.06060	0.6
98.21550	0.6
98.97554	0.3
100.11257	0.4
105.07043	1.0
107.04974	0.6
107.08601	1.2
109.06521	0.4
109.10138	0.5
111.04435	2.6
117.07001	0.4
119.08569	0.6
121.06510	0.5
121.10157	1.1
123.04420	0.6
124.07648	0.6
126.09190	0.6
131.08583	0.8
133.06551	0.3
135.11728	0.9
139.11142	0.3
140.07083	0.8
142.08678	2.1
145.10129	1.1
147.08046	0.5
147.11621	0.3
148.08510	0.4
149.09628	0.3
151.03911	0.4
153.12793	0.7
158.08157	0.4
163.03909	0.3
163.11211	1.1
166.12280	0.3
181.12335	0.7
185.19072	0.3
191.10704	0.5
226.18010	2.2
227.12769	0.6
236.16440	3.1
254.17520	45.4
255.17929	0.3
278.17404	0.3
296.18661	6.4
314.19611	100.0
315.13351	0.6
315.19919	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	314.1963
Annotation	Heliotrine
Peak:m/z	Relative Intensity
53.03934	0.7
55.01874	5.4
55.05268	0.6
55.05514	7.8
56.05036	1.0
56.96577	0.9
57.47805	0.4
58.33759	0.4
67.05503	1.9
68.05035	1.1
69.03431	1.0
69.07048	1.2
69.42905	3.5
70.02922	1.0
70.06599	16.4
71.04998	16.8
74.78284	0.5
77.99813	0.4
79.05495	3.0
80.05015	1.5
81.03419	0.7
81.07069	2.7
82.06574	0.6
82.86217	0.5
83.05000	0.6
83.08627	4.7
86.06078	5.5
91.05473	1.0
93.07035	1.4
94.06567	1.0
95.04999	1.0
95.08623	0.8
96.04495	0.9
96.08135	23.1
97.10175	7.6
98.06052	1.1
98.09106	0.9
98.09704	11.3
98.97598	1.3
105.07060	0.6
106.06545	1.3
107.08578	2.8
108.08152	3.3
109.10133	0.6
110.97559	1.1
112.07584	0.6
116.98655	0.7
117.06986	0.6
119.08585	1.1
120.08122	1.2
122.06036	8.1
124.07599	4.5
125.08407	1.4
125.09634	5.1
126.09168	0.6
128.98573	0.6
131.35597	0.5
134.06117	0.5
135.08055	0.8
135.11707	0.5
136.07535	0.5
140.07088	6.6
145.10081	0.5
153.08975	0.5
163.11232	0.6
180.13866	0.6
193.12366	0.7
208.13503	0.5
209.11926	0.6
211.13353	0.6
222.18668	1.0
232.17009	3.7
250.18033	15.2
260.16498	5.1
268.19183	2.8
278.17526	16.0
291.04504	1.3
296.18588	100.0
297.18872	0.7
314.19571	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	314.0919
Annotation	Unknow
Peak:m/z	Relative Intensity
53.18785	0.6
56.76867	0.7
56.96552	2.3
57.03414	0.9
57.07074	1.0
58.99567	1.3
59.05009	6.1
69.03411	1.1
70.01122	1.6
70.01514	2.2
70.06587	1.2
72.08154	0.7
79.02979	0.7
79.05490	0.8
81.04545	5.4
82.06606	0.8
84.08138	0.7
85.02884	2.2
87.04482	1.2
88.02225	17.2
88.03988	2.2
89.03913	0.9
89.06016	1.5
95.06087	0.9
96.05627	2.0
97.02872	1.4
98.20795	0.7
98.97566	2.2
103.03957	1.5
107.04932	0.8
108.05590	3.1
109.04014	3.9
110.07166	1.6
111.04336	0.8
116.07083	0.8
117.03433	1.8
117.09105	1.8
120.05621	0.9
121.01125	1.4
121.02843	0.7
121.06515	0.9
122.07140	1.5
124.05071	16.4
124.99138	1.5
127.05052	1.0
128.07082	2.0
128.98665	0.8
132.01160	0.7
133.02763	0.8
133.05019	0.8
134.01756	1.4
134.02721	22.0
135.04407	2.9
135.10178	1.9
136.05049	2.6
136.06120	1.3
137.08263	0.9
141.35225	0.7
142.06133	0.9
143.00121	0.9
145.02824	1.7
149.00549	3.7
149.08232	1.6
151.03902	1.0
154.06029	0.7
161.01224	1.1
161.05956	1.0
163.03928	11.1
164.04228	0.8
173.01361	0.7
179.07074	0.8
181.07208	100.0
182.94049	0.7
189.00703	0.9
192.99684	0.9
193.07210	11.2
193.08839	1.2
194.00301	3.4
209.02690	12.7
211.08270	20.6
249.02863	1.6
266.11807	1.0
267.03964	1.8
282.14914	3.2
288.26401	0.8
314.06906	0.9
314.12878	1.7
314.16916	1.7
315.10583	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	314.0693
Annotation	Unknow
Peak:m/z	Relative Intensity
51.04727	0.4
54.34607	0.4
56.96555	0.6
57.03442	0.5
58.80941	0.4
59.04987	1.0
64.57733	0.4
67.05493	0.9
69.03425	0.7
69.07051	0.5
70.02943	2.1
70.06599	2.6
70.15595	1.8
72.08172	0.4
74.00634	0.6
75.98249	0.4
79.05462	1.1
81.03383	0.4
81.07049	0.8
83.35204	0.4
84.08080	0.7
86.06030	0.8
86.09704	1.4
87.04465	1.0
88.03996	14.2
89.06036	10.0
91.05464	1.8
92.05807	0.5
93.07042	1.2
95.08586	0.6
98.20835	0.5
98.97555	0.6
103.07592	0.5
103.25664	0.4
105.07036	1.1
107.08590	0.9
109.01075	0.8
115.11115	0.4
117.99594	1.3
118.26167	0.4
119.08604	1.3
120.01169	1.0
120.08086	0.5
120.08953	0.6
121.00235	0.8
121.01097	14.8
121.06519	0.5
130.08667	2.4
131.08624	0.7
133.08627	5.6
133.10126	0.6
137.00560	1.6
139.03838	0.4
145.06487	0.9
146.06825	0.7
147.08051	2.7
148.08394	2.6
149.00571	37.9
149.09624	0.9
150.10037	0.4
151.03886	0.6
152.04283	0.7
152.07057	1.6
161.09558	0.8
162.09987	0.6
163.02139	0.8
165.00069	8.9
166.00832	3.8
167.01598	1.7
177.07826	0.4
177.11203	1.1
179.07033	0.9
179.10762	0.5
180.10986	0.6
181.03162	1.3
192.04825	0.5
192.99565	22.5
194.00340	32.8
203.52496	0.4
207.01149	0.5
207.04800	0.5
208.04330	1.1
209.02686	100.0
223.04335	0.5
225.02174	4.1
239.14920	5.5
240.07397	0.7
250.05405	0.5
254.04887	1.1
257.04547	0.8
258.04776	1.7
268.06680	0.6
268.15390	0.5
278.16284	0.5
282.14972	0.9
286.07880	1.7
296.06207	1.8
296.18039	0.9
297.04272	1.4
297.18997	3.6
298.10892	0.6
299.05020	0.7
313.47769	0.4
314.03616	0.9
314.07278	13.3
314.13681	1.1
314.19769	5.1
315.04910	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.2737
Annotation	Unknow
Peak:m/z	Relative Intensity
50.72025	0.4
55.05516	5.2
57.03441	13.2
57.07079	43.0
67.05181	0.6
67.05510	8.6
69.07074	7.2
70.68862	1.1
71.04962	0.5
71.08636	28.2
77.01664	0.4
79.05492	1.5
81.07060	12.1
83.04984	0.7
83.08628	9.4
85.06520	1.0
85.10188	15.7
86.71778	0.5
89.06026	2.5
93.07055	1.2
95.08614	16.5
97.06550	0.4
97.10175	4.6
99.08125	0.6
99.11740	0.9
103.07570	1.7
107.08588	1.3
109.10167	7.8
111.11737	0.8
117.09167	0.6
119.08590	0.5
121.10175	0.7
123.11720	3.5
125.13252	0.5
131.08624	0.5
135.11694	0.4
137.13257	1.9
139.14818	0.5
163.14772	0.4
165.16411	0.6
203.20013	0.4
221.22719	0.9
239.23726	3.8
257.24765	4.7
298.27451	0.7
313.27383	100.0
314.27615	0.5
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
53.28075	0.4
55.05511	5.6
57.03161	0.6
57.03440	14.6
57.07079	43.9
60.92498	0.5
67.05509	8.5
68.35480	0.5
69.06731	0.6
69.07073	8.1
69.26834	0.8
69.27245	3.2
71.04987	0.4
71.08636	30.0
75.04486	0.6
79.05479	0.7
81.07061	11.8
83.08624	9.5
85.09673	0.5
85.10190	15.2
89.06026	2.6
93.07046	1.4
95.08612	15.4
97.10170	4.1
98.20749	1.1
99.08103	0.6
99.11717	0.8
103.07638	1.0
107.08604	0.9
109.10165	7.0
111.08138	0.5
111.11720	0.7
117.09107	0.5
121.10172	0.7
123.11736	3.6
125.13284	0.5
131.08562	0.5
137.13254	1.5
151.14867	0.7
156.40555	0.5
159.11670	0.7
221.22678	0.7
239.23683	3.6
257.24802	5.2
313.27386	100.0
314.27539	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.2372
Annotation	9,10-Epoxy-13-hydroxy-11-octadecenoate
Peak:m/z	Relative Intensity
51.10754	3.7
51.14947	4.0
53.03934	11.0
55.01875	42.1
55.05274	5.7
55.05514	59.9
56.96545	5.9
57.03434	10.2
57.07058	12.3
67.05182	5.7
67.05509	89.0
69.03416	10.1
69.06736	5.6
69.07075	73.4
70.76160	5.6
70.76512	10.1
71.04971	6.2
71.08621	9.6
79.05495	44.9
81.03397	8.7
81.07057	76.2
83.04967	18.7
83.08611	28.7
85.02885	4.9
85.06550	5.9
91.05453	25.3
93.06489	4.6
93.07050	62.5
93.07583	8.7
95.04955	17.6
95.08592	51.3
97.06506	15.8
97.10163	44.1
99.08093	7.6
101.68589	3.7
101.73135	3.8
105.07035	21.1
107.08577	45.1
109.06506	7.1
109.10153	43.6
111.08054	5.6
111.11721	5.0
113.09664	5.7
117.06978	7.0
119.08595	25.1
121.06493	8.7
121.10131	35.0
122.06802	4.3
123.08096	22.1
123.11662	9.5
125.09617	29.6
129.07018	4.8
131.08554	8.4
133.10129	21.9
135.11691	21.9
137.09636	20.7
139.11192	56.3
140.21503	3.7
143.08516	4.6
145.10127	8.3
147.11667	14.9
149.13222	10.6
151.11142	10.4
153.12691	9.1
154.89091	3.9
155.10654	4.3
157.10091	4.3
159.11610	4.9
161.13272	10.7
173.11755	9.0
173.13278	6.5
181.12225	7.1
185.13348	7.8
189.11232	14.3
193.12155	5.5
221.15344	5.5
241.07269	4.1
241.19490	6.9
249.22131	17.4
259.20468	9.7
277.21637	85.1
295.22708	100.0
313.17599	51.9
313.20810	5.3
313.27332	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	313.2374
Annotation	(plusmn)9-HpODE
Peak:m/z	Relative Intensity
53.00299	0.8
53.03945	1.8
55.01865	1.1
55.05515	9.4
56.03065	0.9
56.96557	1.4
57.03426	0.8
57.07084	5.6
60.98345	0.8
67.05507	13.7
69.07078	8.8
69.82242	4.1
71.04994	1.8
71.08634	1.5
76.77986	1.0
79.05495	9.1
79.81930	0.8
81.03424	7.8
81.07059	14.8
83.04990	4.4
83.08616	4.7
85.02905	1.5
85.10178	8.7
86.56449	0.8
91.05492	5.9
93.07063	9.2
95.04977	7.9
95.08616	9.6
97.06525	2.7
97.10174	3.9
98.21486	1.4
103.98460	0.8
105.07022	6.8
107.04938	1.6
107.08601	6.7
109.06511	2.7
109.10162	9.5
113.09667	6.8
119.08582	3.4
121.10139	2.8
123.11700	2.3
125.09597	2.3
129.07080	1.0
131.08557	1.7
133.10136	4.9
135.11650	1.1
145.10146	1.9
147.11691	1.9
149.09596	2.6
149.13199	1.0
151.11166	3.0
153.12703	0.9
159.11818	1.0
161.13287	1.5
165.12787	12.7
169.12363	1.3
171.11699	1.8
179.14305	1.0
189.11206	1.4
207.13863	0.9
231.17236	0.9
259.20673	1.2
277.21649	31.3
295.22702	100.0
296.23160	1.0
313.21542	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.2375
Annotation	(plusmn)9-HpODE
Peak:m/z	Relative Intensity
53.03938	1.3
55.01885	1.7
55.05275	0.5
55.05515	7.6
56.92789	0.3
56.96558	0.7
57.03435	1.7
57.07080	2.4
57.43746	0.3
57.86252	0.3
59.04975	0.4
66.24799	0.3
67.05508	19.1
69.03430	1.9
69.07067	8.6
69.89924	1.6
71.05001	2.8
71.08234	0.7
71.08633	13.8
73.06554	0.6
79.05495	10.7
81.03418	6.5
81.07059	13.5
83.04979	4.1
83.08629	2.2
85.02909	1.8
85.06535	0.9
85.10179	0.5
91.05476	5.8
93.07046	13.8
95.04973	8.1
95.08610	15.2
97.06533	3.4
97.10173	2.9
99.04475	0.4
99.07497	0.7
99.08096	9.0
101.06030	0.4
105.07032	4.2
107.04974	0.8
107.08601	6.3
109.06496	1.8
109.10163	8.8
111.08090	0.8
111.11700	0.5
113.09659	0.3
117.07004	1.2
119.08591	5.4
121.06523	0.8
121.10140	6.4
123.08080	1.5
123.11704	1.4
125.09629	0.8
127.11179	1.4
129.06984	0.4
131.08568	1.1
133.06461	0.4
133.10115	3.4
135.08044	0.5
135.11705	3.8
136.93092	0.5
137.09613	5.3
139.11246	1.9
141.09171	0.3
143.08543	0.8
145.10164	2.1
147.07991	0.6
147.11682	2.3
149.09637	0.6
149.13286	1.8
151.09975	0.8
151.11183	11.7
153.12753	1.1
154.94160	0.6
155.10648	1.5
157.10115	1.0
159.11688	1.0
161.09654	0.5
161.13271	2.4
163.11172	1.4
163.14748	0.4
165.12756	1.2
167.10674	0.5
167.14473	0.4
171.11656	0.8
172.95197	0.7
173.13347	0.5
175.11205	0.4
175.14847	0.6
177.12810	0.3
179.14348	3.3
185.13245	0.7
193.15857	0.5
199.14717	0.5
203.12756	0.6
221.15405	2.3
229.80814	0.4
231.10771	0.5
231.21178	0.6
249.22134	0.8
259.20526	0.8
267.09131	0.4
277.21625	34.6
278.21960	0.6
285.10129	0.9
285.64386	0.3
295.22690	100.0
296.23111	1.5
303.64465	0.3
313.14682	0.5
313.18152	0.6
313.21573	1.8
313.27618	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.2161
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.5
55.05511	4.0
56.96553	2.7
57.07060	1.7
67.05508	8.5
69.07061	4.1
72.14646	1.1
78.19874	1.3
79.05510	7.9
81.03403	1.6
81.07059	12.5
82.58587	1.2
83.04992	1.7
83.08590	2.0
85.02886	1.4
91.05495	12.8
93.07043	17.5
94.61453	1.0
95.04972	3.1
95.08616	9.2
97.02930	1.2
97.06521	3.6
98.97585	3.7
105.07043	17.1
107.08603	15.7
109.06544	2.1
109.10161	5.8
117.07020	6.6
118.97044	1.5
119.08591	13.5
121.06503	2.2
121.10164	4.9
123.11765	1.8
128.06184	1.5
129.07001	3.1
130.07782	1.4
131.04933	1.4
131.08562	13.2
133.10127	7.4
135.04466	2.1
135.11656	1.5
139.02800	1.1
141.06987	2.4
143.00189	1.3
143.08577	9.7
145.10138	27.5
147.11717	9.1
151.03978	2.4
155.08560	9.8
156.09302	2.0
157.10101	9.0
159.11699	14.3
161.13287	6.5
163.02718	1.1
163.03879	6.2
163.07617	1.7
167.08650	1.3
169.10083	7.6
171.11696	11.6
173.13269	32.4
181.10193	1.7
182.10976	2.1
183.11697	7.7
185.13266	3.6
189.09134	1.4
196.12437	1.4
197.13272	18.2
198.14128	2.3
199.14862	1.3
201.12755	3.6
210.13986	1.3
211.14838	11.0
225.16493	7.5
227.99031	1.3
231.13950	1.7
233.15410	6.2
239.14195	1.7
253.19521	100.0
257.15320	1.5
263.17770	1.5
267.17587	1.5
281.19012	7.2
285.18515	1.3
295.17032	1.5
302.09109	1.6
313.10873	4.2
313.14264	2.0
313.17941	4.4
313.21637	47.3
313.25406	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	313.0586
Annotation	Unknow
Peak:m/z	Relative Intensity
56.24578	0.3
69.35648	2.6
94.06555	0.7
114.66920	0.4
127.62762	0.3
132.02119	41.6
138.05486	2.7
139.05891	2.1
176.01103	100.0
177.01405	0.5
195.98288	0.4
225.07761	0.4
309.29636	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.1408
Annotation	Unknow
Peak:m/z	Relative Intensity
53.74096	0.3
55.05504	0.4
65.03938	1.4
68.95296	0.3
69.07072	0.3
69.11883	0.3
69.37465	0.8
69.37872	1.7
70.06561	0.4
72.08150	0.5
79.05496	0.4
81.07048	0.6
84.08107	0.4
85.02913	0.3
88.03999	0.8
91.05482	100.0
92.05807	0.4
97.02883	0.3
98.20779	0.7
102.63044	0.3
105.07029	0.5
107.08612	0.5
111.48430	0.3
117.07060	0.3
121.06494	0.4
122.06030	0.6
123.01581	0.3
131.04904	0.5
131.08537	0.5
134.35300	0.3
135.04472	0.3
135.08047	0.3
137.06023	0.5
140.07068	1.0
143.00125	0.4
145.06482	0.6
148.06160	2.7
151.03915	2.6
161.06018	0.4
163.03886	1.1
174.05569	0.4
177.05507	0.4
190.04993	0.4
193.04933	0.4
194.36844	0.4
196.64085	0.3
209.08199	0.3
223.07538	1.0
226.10880	59.0
238.10869	0.8
251.07050	0.7
252.12454	1.4
267.13589	6.2
268.11902	1.5
269.08316	0.6
269.15158	4.0
285.07501	0.3
295.13132	0.5
313.06842	2.5
313.14063	76.1
314.14297	0.6
332.01221	0.3
338.30798	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2581
Annotation	2-(5-Methoxy-5-methyltetrahydro-2-furanyl)-6,10-dimethyl-5,9-undecadien-2-ol
Peak:m/z	Relative Intensity
53.03934	1.1
55.01860	1.7
55.05514	38.6
57.03440	14.7
57.07079	17.4
59.05013	0.5
59.20070	0.5
62.69796	0.5
67.05505	6.9
69.07072	44.8
69.30731	3.8
69.32921	0.4
71.04991	0.5
71.08634	11.1
73.02919	0.7
73.06538	0.6
75.04507	0.5
79.05501	3.8
81.07059	8.6
83.04976	1.3
83.08623	38.8
85.06548	0.7
85.10186	4.8
86.74806	0.4
91.05464	1.0
93.07041	7.1
93.64259	0.5
95.08617	7.1
97.06534	4.2
97.10174	26.6
98.20661	0.5
105.06966	0.7
107.08606	4.0
109.10140	2.9
111.04447	1.1
111.08089	1.8
111.11719	7.7
121.10139	5.3
123.11688	1.5
125.09647	1.3
125.13310	2.2
133.10103	0.4
135.04439	0.8
135.11690	3.9
137.13263	1.1
139.11156	0.9
149.13272	1.7
153.05510	0.6
153.12686	0.7
161.09627	0.5
163.14825	1.2
191.10669	0.5
209.11728	2.8
219.21092	1.8
237.11203	3.2
237.22250	0.9
255.12309	0.8
274.84238	0.6
275.20392	0.5
293.21198	0.7
311.25821	100.0
312.26288	1.1
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	Unknow
Peak:m/z	Relative Intensity
55.01872	8.4
55.05511	21.5
57.07067	10.6
58.83677	2.2
67.05510	39.2
69.07069	32.8
69.15552	16.7
69.15968	5.9
71.04977	2.3
71.08635	100.0
79.05500	22.5
79.05922	3.3
80.60629	2.3
81.07059	52.0
83.04986	9.7
83.08629	21.6
85.06532	2.4
88.70763	2.3
89.21832	2.2
91.05492	14.8
93.07043	23.2
95.08611	42.8
97.06537	9.6
97.10175	7.3
99.08095	74.9
105.07027	16.2
107.08588	18.0
109.06519	3.6
109.10168	17.7
111.04420	3.8
111.08087	7.3
113.09626	3.2
117.07021	2.8
119.08598	9.9
121.06497	2.5
121.10149	20.1
123.08043	3.1
123.11697	10.1
125.06015	3.6
127.11207	3.5
131.08553	10.0
133.10146	3.8
135.04408	16.9
135.08020	2.6
135.11674	16.5
137.13297	7.1
145.10118	8.1
147.11691	48.0
149.09627	6.2
149.13289	4.5
151.14784	3.6
153.05479	4.1
153.12726	21.4
159.11659	5.7
161.09625	24.7
161.13277	5.1
163.11166	7.0
163.14850	12.7
165.12738	13.1
167.10696	3.0
167.14359	5.3
173.13271	4.3
177.16432	3.4
181.12280	4.9
181.15863	10.4
186.31306	2.4
187.14787	2.7
189.80481	3.1
209.11774	19.4
217.82600	2.9
233.22726	5.8
234.34769	2.4
237.11169	15.2
243.21117	19.1
251.23747	3.8
255.12128	4.7
261.22076	27.0
279.23187	86.4
293.17664	2.9
293.21042	5.7
293.24744	3.4
311.16235	13.6
311.25751	15.7
311.31363	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	311.2369
Annotation	14'-apo-beta-Carotenal
Peak:m/z	Relative Intensity
51.10964	2.2
53.03939	5.5
55.05510	25.2
57.03416	4.8
57.07059	9.0
57.80673	2.1
59.45091	2.3
59.88350	2.2
61.20265	2.0
67.05193	3.4
67.05508	50.9
69.07070	52.7
70.66993	3.1
70.67350	6.6
71.04963	3.8
72.20595	2.5
79.05495	26.1
81.03419	6.5
81.07054	49.0
83.04954	3.3
83.08621	15.1
91.05476	42.2
93.07043	100.0
95.04967	62.6
95.08606	98.6
97.06534	31.2
97.10157	3.2
101.21397	2.3
103.05502	2.3
105.07030	79.0
107.04932	3.2
107.08591	50.1
109.06512	16.9
109.10150	32.7
110.47041	2.6
111.04417	3.3
111.08045	2.8
115.05457	4.5
117.07031	18.2
119.08586	74.0
121.06511	23.9
121.10144	61.0
123.08077	21.1
123.11716	17.9
128.06218	4.5
129.07002	5.8
130.07736	3.5
131.08580	30.8
133.10138	40.3
135.04404	10.1
135.08067	13.3
135.11688	22.2
137.09589	6.8
137.13225	7.9
142.07755	9.2
143.08530	13.7
144.09306	5.8
145.10123	36.2
147.08115	2.4
147.11691	27.8
149.09596	6.8
149.13245	8.9
155.08592	4.0
156.09302	4.8
157.10110	29.7
159.08099	4.2
159.11693	57.3
161.09657	16.5
161.13231	15.7
163.11185	5.5
163.14781	2.2
169.10175	11.3
171.11707	14.6
173.09497	3.1
173.13190	12.4
175.14899	14.3
177.16377	26.5
179.98952	2.4
181.10045	3.6
183.11641	5.5
185.13240	8.0
187.11223	6.6
187.14822	4.6
189.16388	17.8
191.17999	3.0
193.10161	4.5
195.11681	2.4
196.12456	3.3
197.13248	5.4
199.14828	5.8
201.12593	2.5
201.16350	10.2
203.17982	4.7
209.11545	13.0
209.13412	5.6
211.14844	9.6
213.16374	6.3
215.17946	10.5
219.17435	7.8
223.14803	7.4
225.16451	3.5
227.17969	3.8
237.11205	14.1
237.16345	4.5
241.19444	3.3
255.12411	2.5
255.21107	3.9
267.21054	5.2
281.19000	2.8
283.24042	2.5
293.22546	5.5
311.16345	4.8
311.23444	36.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.237
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	5.2
55.01869	4.0
55.05514	13.8
57.03435	8.8
57.07083	11.0
65.03938	3.0
67.05515	25.4
69.03430	3.5
69.07072	22.6
70.09021	3.5
70.09411	3.6
71.04977	2.2
71.08617	2.1
72.04523	2.6
74.84909	1.4
75.05663	1.7
79.05495	24.4
81.03436	3.8
81.07062	84.5
83.04979	5.6
83.08609	7.3
91.05497	25.0
91.48592	1.5
93.07051	71.0
93.07643	3.6
95.04973	34.0
95.08614	60.3
97.06532	29.8
97.10173	3.8
103.05476	2.8
105.07037	52.6
107.08611	30.1
109.06536	12.3
109.10153	18.5
111.04465	3.7
111.08105	1.7
115.05447	2.5
117.07032	11.7
119.04926	1.6
119.07806	3.3
119.08590	40.4
121.06503	10.6
121.10155	30.6
123.08087	9.2
123.11716	100.0
125.09669	1.5
128.06213	6.1
129.07008	6.1
130.07797	5.3
131.08574	18.2
133.10133	28.4
135.04404	15.0
135.08054	4.1
135.11690	8.3
142.07764	6.6
143.08575	15.0
144.09346	3.6
145.10127	35.3
147.08038	3.8
147.11713	8.4
149.09644	3.1
149.13234	4.7
153.05547	2.8
155.08629	2.6
156.09372	5.7
157.10156	12.5
159.11693	20.4
161.09625	23.1
161.13292	6.6
163.11182	2.8
167.08495	1.5
169.10167	8.3
170.10892	2.3
171.11676	12.2
173.09631	4.3
173.13264	3.1
175.11171	1.8
175.14844	7.4
177.16414	4.8
181.10164	2.9
183.11694	5.7
185.13309	3.9
187.11176	5.8
187.14890	3.3
188.11974	3.7
189.12776	8.3
189.16411	7.0
191.10696	2.8
195.11725	3.1
197.13353	3.4
199.14833	1.8
201.16414	8.7
209.11702	23.5
209.13397	2.4
211.14923	3.1
213.16350	2.5
219.17407	8.8
223.14537	1.7
237.11217	20.0
237.16339	3.7
241.19325	1.9
255.12372	5.5
255.17442	3.8
255.21088	3.6
293.22495	3.0
311.16409	7.3
311.23322	21.9
311.31439	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	311.2218
Annotation	(8E,10S,12Z,15Z)-10-Hydroperoxyoctadeca-8,12,15-trienoate
Peak:m/z	Relative Intensity
51.02370	0.9
53.03934	3.0
55.01880	6.3
55.05506	9.5
57.03426	3.8
57.03690	0.8
57.07082	5.7
59.44354	0.7
65.03929	1.5
67.05510	36.8
69.03432	0.9
69.07068	12.2
69.96422	2.5
69.96819	1.3
71.04983	2.9
71.08614	2.4
79.05494	19.0
81.03426	8.7
81.07063	23.0
83.04996	7.5
83.08614	3.8
85.06531	2.6
85.10184	4.2
89.29266	0.7
91.05480	10.7
93.07052	18.3
95.05001	4.3
95.08611	100.0
97.06548	5.5
99.08079	1.1
105.07034	6.4
107.04980	1.0
107.08578	8.2
109.06512	3.2
109.10162	8.9
111.04439	1.2
111.08101	2.0
113.09647	3.8
117.07024	2.5
119.08569	3.6
121.06515	1.1
121.10165	4.1
123.08044	4.0
123.11642	1.1
125.09635	3.1
131.08586	4.3
131.40472	1.0
133.10121	4.3
135.08060	1.8
135.11694	3.8
137.09679	1.4
141.09114	21.7
145.10114	2.0
147.11707	2.5
149.13284	1.6
151.11211	4.4
153.05510	1.2
153.12811	1.1
159.10182	34.1
159.11533	2.4
161.13239	1.3
163.11086	1.3
165.09132	1.3
165.12755	4.6
177.12762	1.7
181.12238	1.3
191.14282	1.7
193.12358	1.0
194.12529	1.1
195.13872	1.8
209.11670	6.3
211.13303	1.8
237.11278	5.5
247.20576	2.6
255.12346	1.3
265.21643	89.8
275.20035	2.9
284.14301	0.9
293.21057	5.6
311.18985	1.5
311.22174	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	311.2217
Annotation	(9Z,12Z,15Z)-(7S,8S)-Dihydroxyoctadeca-9,12,15-trienoic acid
Peak:m/z	Relative Intensity
52.10588	2.0
53.03942	6.0
55.01877	17.5
55.05277	2.4
55.05521	35.4
55.68915	2.1
57.03431	5.6
57.07084	10.7
63.18479	2.2
64.52673	1.9
67.05512	76.1
67.69946	2.0
69.03438	3.6
69.07071	29.8
70.33344	2.0
70.90746	4.6
71.04990	8.2
71.08627	6.6
79.05080	3.0
79.05501	32.4
81.03413	9.5
81.07064	76.0
83.04985	13.4
83.08628	18.1
85.02904	4.2
85.06569	10.9
85.10171	6.6
91.05485	43.7
93.07048	39.1
95.04984	20.9
95.08615	42.3
95.09190	1.7
97.02891	2.5
97.06004	2.1
97.06538	12.8
97.10163	5.5
99.04488	5.0
99.08120	4.8
105.07041	43.0
107.04955	9.9
107.08593	44.0
109.06535	10.7
109.10165	61.5
111.04465	14.8
111.08076	9.4
113.05973	2.1
113.09629	4.1
117.07019	9.2
119.08572	17.4
121.06500	9.2
121.10140	17.0
123.04385	2.8
123.08057	9.0
123.11745	13.3
125.06017	2.8
125.09654	11.6
129.07001	5.2
131.08556	13.1
133.10146	71.0
135.04430	49.9
135.08083	3.3
135.11678	12.2
137.09647	11.3
139.11214	3.3
145.06560	2.3
145.10126	13.7
147.07980	3.0
147.11690	8.8
149.09630	8.2
149.13260	3.2
151.11198	44.0
153.12753	3.8
159.11740	8.6
161.09642	23.8
161.13226	3.9
163.11229	10.1
165.09146	6.2
167.10652	5.4
169.12250	15.3
171.11740	3.1
173.13228	3.3
177.12756	8.2
179.10663	4.1
181.12302	4.3
183.11678	3.9
187.11195	2.7
191.10689	2.4
191.14439	4.2
195.13734	2.3
207.13747	2.5
209.11746	13.3
223.13361	5.0
229.19540	5.9
237.11195	8.6
239.18056	2.4
247.20656	11.5
251.20241	2.2
257.19070	10.9
265.21704	5.9
275.20065	70.7
279.67474	2.7
293.21121	100.0
311.13013	2.4
311.16281	2.7
311.22244	6.1
311.25629	5.0
327.26364	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	311.2218
Annotation	Dihydroalbocycline
Peak:m/z	Relative Intensity
53.03939	0.8
55.01860	1.3
55.05269	0.5
55.05513	8.1
56.96552	0.6
57.03427	0.9
57.07073	3.0
61.02082	0.4
67.01951	0.4
67.05505	7.6
69.03416	1.0
69.07069	3.9
69.43390	3.0
71.04977	0.5
71.08633	9.4
79.05075	0.5
79.05501	6.7
81.03401	1.4
81.06590	0.6
81.07053	8.9
83.04971	1.2
83.08620	4.0
85.02871	0.5
85.06532	0.9
91.05470	3.5
93.07048	4.6
95.04977	3.2
95.08040	0.6
95.08609	5.6
97.06512	0.7
97.10171	4.6
99.08100	5.3
100.02467	0.5
105.07034	4.1
107.04968	2.0
107.08600	4.3
108.05714	0.9
109.06509	2.0
109.10147	2.5
111.04420	1.3
111.08022	0.7
115.81808	0.3
117.05842	0.3
117.06989	1.0
119.08591	1.9
121.06505	4.6
121.10147	1.9
123.11688	0.9
125.09605	2.4
131.08588	1.4
133.10144	2.5
135.04413	0.5
135.08025	1.2
135.11693	1.3
137.09625	0.8
139.11200	0.6
143.08487	0.4
145.10110	1.3
147.11693	1.0
149.05898	0.5
149.13232	0.6
151.11174	1.3
153.05405	0.7
153.09113	0.4
157.10211	0.5
159.11630	0.7
161.09566	0.5
163.11183	0.9
164.11896	0.7
165.12746	2.8
173.13269	0.5
177.12758	1.3
181.12276	0.4
183.11737	0.6
189.11211	2.0
191.61821	0.4
195.13834	0.5
197.13264	0.4
209.11682	5.4
215.17944	0.4
237.11253	5.3
237.14847	0.8
240.17221	0.5
247.20557	0.5
255.12268	1.3
257.19052	0.9
265.21729	0.7
275.20071	7.0
293.21109	100.0
294.21542	0.5
299.20932	1.0
299.71133	0.8
310.71750	0.6
311.26221	1.9
312.19501	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2216
Annotation	Porrigenic acid
Peak:m/z	Relative Intensity
55.01861	3.2
55.05510	13.2
56.96556	1.7
57.03439	1.2
57.07077	5.5
58.72838	1.2
67.05506	18.7
69.03426	2.5
69.07069	9.0
70.00976	1.9
70.01369	1.5
71.01354	1.5
71.04975	1.9
71.08631	21.4
79.05499	10.6
81.03423	2.4
81.07063	16.5
83.04993	5.7
83.08618	6.5
85.06538	1.8
91.05479	7.7
93.07053	9.6
95.04949	6.4
95.08611	11.5
97.06525	3.1
97.10172	9.2
99.08093	13.4
105.07050	6.9
107.04958	3.4
107.08598	7.8
109.06522	3.2
109.10150	6.9
111.04445	3.5
111.08076	1.9
112.08504	0.9
117.07023	2.4
119.08584	5.5
121.06512	3.3
121.10116	3.1
123.08103	2.2
123.11672	1.5
125.05972	1.2
125.09620	5.6
131.08569	3.5
133.10144	6.7
135.04408	0.9
135.08076	2.7
135.11687	3.7
136.10948	0.9
137.09624	1.9
139.11206	3.0
141.09105	3.5
143.08582	1.6
143.10556	1.1
145.06415	0.9
145.10146	3.5
147.11685	2.5
149.09686	1.9
149.13272	2.3
151.11214	7.1
153.05457	3.0
153.09119	1.8
153.12711	0.9
155.10687	1.9
159.11722	3.4
161.09599	1.6
163.11179	2.5
165.12726	3.6
167.14404	1.1
173.11777	1.0
177.12749	3.1
181.12285	1.8
187.11226	1.0
187.13231	1.0
189.11247	3.6
191.10672	1.6
195.12070	1.2
195.13797	7.0
206.99661	0.9
209.11728	16.3
223.13324	1.0
237.11243	13.0
255.12222	4.6
265.21609	1.8
275.20068	9.3
293.21109	100.0
311.25684	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	311.2216
Annotation	9(S)-HpOTrE
Peak:m/z	Relative Intensity
53.03939	1.4
55.01867	5.7
55.05266	1.2
55.05510	13.1
57.06794	1.4
57.07076	26.2
64.21465	0.8
67.05501	8.9
68.99797	1.0
69.07066	4.8
70.91277	1.6
70.91608	0.9
71.01358	1.3
71.04975	1.2
79.05495	9.0
81.03424	2.0
81.07062	7.5
83.04980	13.4
83.08617	8.1
85.02913	1.1
85.06551	1.2
91.05483	4.9
91.08567	0.9
93.07053	8.8
95.04967	17.0
95.08606	3.8
97.06519	3.5
97.10175	5.9
99.04446	2.6
105.07050	5.4
107.04973	5.5
107.08591	10.2
109.02891	4.3
109.06501	1.6
109.10174	3.3
111.04440	29.6
111.08061	3.8
117.07008	2.0
117.19444	0.8
119.08599	4.0
121.06471	2.1
121.10167	5.8
123.08073	1.4
123.11661	0.9
125.05986	7.1
125.09639	5.4
131.08560	3.5
133.06464	0.8
133.10104	2.9
135.04424	3.2
135.08041	2.1
135.11674	3.7
137.09578	1.9
139.07486	1.3
139.11218	1.4
145.10114	6.7
147.07996	1.5
147.11685	2.0
149.09602	11.1
153.05472	19.1
153.09088	1.3
153.12776	1.3
155.10500	0.9
159.11702	2.9
163.03941	1.7
163.11177	11.3
171.10213	1.8
173.09499	1.0
173.11879	0.9
175.05142	0.8
175.07610	1.1
181.04903	4.6
181.12231	9.8
187.11223	1.3
189.11226	7.8
191.10666	13.6
193.08644	1.3
204.23277	0.8
205.12238	1.3
205.61681	0.9
209.11729	100.0
223.13275	22.4
227.12646	1.1
237.11218	80.7
239.17888	1.4
247.20471	1.0
255.12289	25.3
257.19022	2.3
265.18085	1.0
275.20065	23.2
293.17484	9.0
293.21094	25.1
311.18475	8.6
311.22156	5.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2216
Annotation	Porrigenic acid
Peak:m/z	Relative Intensity
55.01874	78.8
55.05510	49.1
56.96563	5.8
57.03427	6.8
57.07085	18.5
57.30356	3.4
58.57364	2.8
65.32942	2.9
67.05505	62.8
69.03431	8.5
69.07073	25.0
69.54919	16.7
71.01322	3.5
71.05000	8.7
71.08628	18.8
79.00654	2.7
79.05497	34.3
81.03429	15.1
81.07058	61.5
83.04989	16.8
83.08616	13.8
84.01180	4.3
85.02888	3.8
85.06553	6.1
90.05706	2.9
91.05477	29.1
93.07057	41.7
95.04959	24.3
95.08611	46.4
97.06549	8.5
97.10162	14.9
99.04512	3.1
99.08086	16.5
101.05994	3.9
102.02249	6.7
105.07057	15.6
107.04954	18.4
107.08594	22.6
109.06520	11.1
109.10165	27.2
111.04442	10.2
111.59490	3.0
117.07021	10.1
119.08582	30.3
121.06509	6.3
121.10155	17.8
123.08067	9.9
123.11735	5.4
125.03801	3.6
125.06031	4.3
125.09633	100.0
129.06883	3.0
131.08595	15.6
133.10147	16.5
135.08038	16.9
135.11702	9.7
137.09634	24.2
139.11243	4.5
141.08998	5.0
143.04881	4.2
144.09357	3.6
145.10136	11.4
147.11705	7.0
149.09634	5.3
149.13268	4.9
151.11189	36.6
153.05429	3.9
155.10634	15.9
159.11713	10.7
161.09641	4.1
161.13193	4.5
163.11188	9.3
165.09114	3.0
165.12778	4.0
167.10757	3.6
169.10107	8.0
177.12723	25.9
179.10835	3.3
181.12262	11.6
191.10724	6.0
191.14326	9.0
191.17807	3.3
195.11729	8.3
195.13823	15.5
201.16350	5.8
209.11731	24.9
215.17839	3.2
229.19455	6.0
237.11198	21.7
239.17757	2.9
240.16322	8.3
247.20558	7.6
249.17119	4.8
255.12344	7.0
257.19028	12.6
260.67923	4.7
265.19437	7.1
269.68289	3.6
275.20065	50.0
293.17822	5.7
293.21103	69.7
298.52454	3.0
299.20389	3.3
311.17459	12.2
311.21286	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2217
Annotation	trans-EKODE-(E)-Ib
Peak:m/z	Relative Intensity
55.01863	1.3
55.05512	9.6
57.07073	0.8
67.05505	5.5
69.03417	0.9
69.07075	4.1
70.11515	1.6
71.08634	8.3
79.05494	4.5
81.03419	0.9
81.07055	5.0
82.03207	0.4
83.04983	2.0
83.08619	5.1
91.05474	1.9
93.07069	2.9
95.04973	2.7
95.08604	3.5
97.06518	0.7
97.10171	7.9
99.04479	0.4
99.08093	4.7
105.07023	1.6
107.04948	1.8
107.08598	3.7
108.05746	0.6
109.06504	1.4
109.10170	1.2
111.04427	0.7
111.08069	1.0
117.07022	0.9
119.08566	0.5
121.06521	3.9
121.10136	1.2
123.23357	0.4
125.09633	5.2
131.08551	1.4
132.61801	0.5
133.10135	1.1
135.08070	1.3
135.11723	0.8
145.10118	0.8
148.50439	0.4
149.09608	0.6
149.13235	0.6
151.11201	1.3
159.11694	0.7
163.11224	0.8
164.11984	0.6
165.12746	0.9
175.11313	0.4
177.12755	1.8
189.11201	2.5
191.10709	0.6
195.45020	0.4
209.11673	2.2
211.13277	0.8
237.11238	2.6
237.14900	0.9
247.20581	0.9
255.12306	0.7
257.19037	1.4
265.21747	0.6
275.20090	4.6
293.21103	100.0
294.21521	0.9
319.43863	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2216
Annotation	9(S)-HpOTrE
Peak:m/z	Relative Intensity
54.56093	1.4
54.78512	1.4
55.01857	4.9
55.05513	13.8
57.03413	2.3
57.07063	6.7
67.05183	2.2
67.05506	32.3
69.03439	3.2
69.07050	6.7
70.02370	4.8
70.02779	3.4
70.42471	1.5
70.96126	1.5
71.01205	1.5
71.04995	12.6
71.08632	17.1
75.01688	1.5
79.05492	8.1
81.03399	6.8
81.07052	16.7
83.04961	7.2
83.08603	4.5
84.05635	1.7
85.02913	15.1
85.06547	3.9
91.05484	18.9
93.07049	20.7
95.04967	21.5
95.08609	74.5
98.20733	2.1
99.04430	4.7
99.08098	13.1
101.06028	2.1
105.07001	6.0
107.04947	4.6
107.08556	7.5
109.06505	4.9
109.10164	27.8
111.04420	10.4
111.08048	4.9
113.05965	4.5
114.66062	1.7
117.06985	2.9
119.08561	16.2
121.06519	2.0
121.10135	5.4
123.08078	10.7
123.11787	1.7
125.09612	2.5
127.11205	3.6
131.08580	2.9
133.10136	16.3
135.11673	3.9
137.08835	1.5
137.09642	16.9
139.11121	2.1
145.10054	3.6
147.11694	3.1
149.09633	3.8
151.11206	18.6
153.05450	2.4
155.09425	3.3
155.10670	63.4
159.11633	3.5
161.09581	1.9
163.11134	5.6
165.12801	2.2
171.41847	1.6
177.12703	4.0
179.10696	3.6
183.13733	1.9
191.10585	3.7
191.14351	2.1
209.11713	18.9
223.13298	8.2
229.19409	4.3
237.11168	11.2
247.20613	5.2
251.19939	6.9
255.12213	3.6
257.18933	2.1
265.21674	2.1
275.20065	23.8
293.21109	100.0
298.66443	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2217
Annotation	9(S)-HpOTrE
Peak:m/z	Relative Intensity
53.03952	1.2
55.01871	8.2
55.05508	9.4
57.03435	2.1
57.07074	2.5
67.05506	15.7
69.03416	1.6
69.07072	47.1
70.91240	2.6
71.05010	5.7
79.05492	19.9
81.03415	6.9
81.07061	19.1
83.04981	12.2
83.08620	2.8
85.02882	3.7
85.06552	1.9
91.05482	10.3
93.06487	1.4
93.07044	18.3
95.04966	39.1
95.08611	14.6
97.06537	7.4
97.10194	5.6
99.04440	4.1
99.08058	2.4
105.07049	8.9
107.04951	4.2
107.08594	11.8
109.06519	4.5
109.10164	5.7
111.04449	19.1
111.05141	2.3
117.06998	4.2
119.08553	6.5
121.06478	5.0
121.10139	10.0
123.08073	2.4
125.05960	1.4
125.09642	2.8
129.07030	1.3
131.08577	7.5
133.10149	6.6
135.08069	9.5
135.11674	4.4
137.09633	2.1
139.11165	3.4
143.08577	2.2
145.10104	5.8
147.11717	3.1
149.09601	3.9
149.13191	2.2
151.11191	1.9
159.11711	6.4
161.09601	1.3
163.11200	2.4
164.25432	1.3
166.13657	1.1
167.14290	4.2
171.11684	1.8
173.13292	2.3
177.12723	7.6
187.11118	2.1
193.04942	2.2
195.13789	3.6
201.12756	3.2
203.12817	3.3
205.12292	2.1
207.13800	4.0
219.13789	3.1
223.13275	2.5
225.14838	2.5
230.43211	1.1
237.14856	43.6
241.14348	4.2
257.19019	3.1
275.20062	30.4
293.21115	100.0
311.21771	2.5
311.24619	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	311.2216
Annotation	(9Z,12Z,15Z)-(7S,8S)-Dihydroxyoctadeca-9,12,15-trienoic acid
Peak:m/z	Relative Intensity
51.59785	1.7
53.03932	2.3
54.76711	1.7
55.01869	5.4
55.05512	24.3
57.03427	7.7
57.07071	3.6
59.04980	2.1
65.03947	3.7
67.05507	62.9
69.03424	8.1
69.07083	10.0
69.94864	1.6
71.04993	10.1
71.08632	47.5
77.63340	1.9
78.84741	2.0
79.05505	15.6
81.03415	6.3
81.07057	24.0
81.51617	2.0
83.04980	17.5
83.08617	8.3
85.02896	13.1
85.06530	3.7
91.05489	17.1
93.07053	29.4
95.04957	11.7
95.08607	68.8
97.06551	5.4
97.10155	3.5
98.21518	5.8
99.04465	2.1
99.08087	30.7
101.06005	3.0
105.07018	6.5
107.04899	3.5
107.08604	9.1
109.06507	3.7
109.10161	51.3
111.08075	4.0
113.06030	7.4
117.07033	3.9
119.08578	16.1
121.10155	6.8
123.08076	8.2
125.09612	3.7
127.11185	3.3
131.08560	6.8
133.10129	9.5
135.08058	2.5
135.11700	4.5
137.09618	22.1
139.11186	40.4
141.09166	2.7
145.10062	2.1
149.09618	2.0
149.13271	3.3
151.11183	31.4
155.10669	65.7
159.11696	7.2
161.09619	14.4
165.12753	3.3
167.62267	1.7
169.10136	2.3
173.11775	10.1
177.12801	16.0
179.10648	6.0
191.14288	6.8
195.13826	7.4
216.46414	2.0
229.19621	3.3
229.21977	3.2
247.20496	4.2
257.19006	7.7
265.21625	2.4
275.20026	29.9
293.21115	100.0
311.22192	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	311.2216
Annotation	9(S)-HpOTrE
Peak:m/z	Relative Intensity
53.03945	3.2
55.01872	14.0
55.05515	34.3
56.96556	4.2
57.03424	10.7
57.07074	18.7
65.03925	3.6
67.05173	4.9
67.05505	60.1
69.03423	8.8
69.07066	43.7
69.76305	12.4
71.04989	11.0
71.08617	3.6
77.22268	2.5
79.05493	47.9
81.03413	9.2
81.06586	5.6
81.07056	98.7
81.92300	3.0
83.04990	21.7
83.08624	20.7
85.06527	4.8
91.05480	44.6
93.06487	4.1
93.07043	60.6
94.52366	3.2
95.04959	13.6
95.08611	51.8
96.08111	4.1
97.06531	17.6
97.10165	14.5
97.99218	3.1
99.08083	7.6
105.07023	46.8
107.04939	9.9
107.07972	3.5
107.08597	37.1
108.08889	3.7
109.06528	15.7
109.10161	34.6
111.04468	13.7
111.08080	11.9
117.07030	18.3
119.08572	38.9
121.06494	7.2
121.10146	40.3
123.08077	11.8
123.11713	9.2
125.05978	3.8
125.09637	11.1
129.07043	6.7
131.08571	25.3
133.10135	39.5
135.08049	8.6
135.11697	16.3
137.09608	13.2
139.11134	10.1
143.08597	7.0
145.06497	3.7
145.10120	21.3
147.08006	4.4
147.11690	21.8
149.09557	14.6
149.13239	6.1
151.11176	9.6
153.05438	9.0
153.12779	4.3
157.10101	7.6
159.11708	14.7
161.09833	2.7
161.13220	8.9
163.11200	14.9
165.12737	4.6
167.10655	3.4
169.10133	5.3
169.12505	2.9
169.14162	2.8
171.11671	11.2
173.09653	4.6
173.13232	14.2
177.12764	4.9
181.12206	6.6
183.11745	5.0
185.13266	6.9
187.14772	4.0
189.11185	6.4
191.10623	6.9
193.12148	3.1
196.98569	2.8
197.13239	3.3
203.12758	8.3
203.14372	3.8
209.11676	53.5
209.14986	3.3
221.15376	5.5
223.13342	5.3
229.19478	5.6
235.16798	3.1
237.11201	39.6
239.17847	8.5
247.20503	7.2
255.12245	14.2
257.18863	16.3
258.28345	2.8
265.21658	4.3
275.20074	100.0
293.17780	5.5
293.21011	56.5
311.22293	6.2
311.25449	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	311.2218
Annotation	(9Z,12Z,15Z)-(7S,8S)-Dihydroxyoctadeca-9,12,15-trienoic acid
Peak:m/z	Relative Intensity
51.17558	2.3
51.24611	2.4
51.30701	2.5
53.03943	4.5
55.01863	7.6
55.05515	36.4
56.96555	5.9
57.03429	6.5
57.07074	6.7
65.03943	3.8
67.05506	82.7
69.03417	9.1
69.07065	37.2
70.42262	2.4
71.04976	6.2
71.08643	4.0
77.42379	2.5
79.05496	47.9
81.03410	8.4
81.07060	77.7
83.04966	12.2
83.08630	20.0
85.02881	2.7
85.06525	5.1
91.05481	48.1
93.06477	4.3
93.07047	60.7
95.04974	15.6
95.08606	61.9
97.02859	5.1
97.06529	14.0
97.10188	24.0
98.97566	3.0
99.08073	7.2
99.85646	2.6
100.11230	2.5
105.07036	39.8
107.04955	5.7
107.08598	42.4
109.06528	13.8
109.10161	40.3
111.04457	2.6
111.08078	7.6
113.06038	3.5
115.05434	4.8
117.07029	16.4
119.08585	42.8
121.06490	5.6
121.10142	31.1
123.08032	9.1
123.11708	9.4
125.09637	17.5
129.06995	8.4
131.08557	19.2
133.10132	36.7
135.08044	7.8
135.11696	12.9
137.09587	10.1
137.13219	5.6
139.11174	2.8
141.06998	4.1
143.08533	4.6
145.06488	43.2
145.10118	19.5
147.11703	17.1
149.09657	19.6
149.13290	5.2
151.11189	5.8
153.09088	3.2
155.08566	5.1
155.10634	4.2
157.10126	6.3
159.11671	16.9
159.59290	2.6
160.07593	3.5
161.13239	7.7
163.03914	3.8
163.11198	5.9
163.14778	2.9
167.10703	3.4
169.10104	5.4
171.11694	4.2
173.02379	3.0
173.11723	13.2
173.13266	9.5
175.11203	3.3
177.12669	5.3
179.10677	2.9
182.42308	2.5
183.11754	4.8
187.03949	3.6
187.11147	3.2
189.11203	14.0
189.12694	3.1
191.14313	3.1
195.11606	2.9
195.13708	4.0
197.13309	4.2
201.16278	4.9
209.11632	3.7
213.05518	9.9
215.14325	2.6
219.17387	7.0
229.07181	3.0
229.19487	4.7
235.16864	3.9
239.18088	6.4
247.20497	4.6
249.18468	3.5
257.18930	13.9
265.21912	3.6
267.13815	4.8
275.20074	100.0
293.21149	26.7
299.39548	3.1
302.09146	3.5
310.69852	3.1
311.05508	3.9
311.12558	9.3
311.16251	11.3
311.19662	5.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.1965
Annotation	3beta,4alpha-Dihydroxy-13beta-methoxylupanine
Peak:m/z	Relative Intensity
55.05483	2.1
67.05489	0.8
70.91644	1.7
72.04527	3.4
77.67709	0.6
79.05476	2.2
80.04996	1.2
81.07023	1.7
82.06554	1.4
87.05554	1.1
88.04005	0.7
89.17744	0.6
91.05451	1.2
93.05810	0.7
93.07052	6.9
94.22844	0.7
95.08570	2.3
105.07018	1.7
107.08581	2.6
108.08119	54.6
110.09656	1.8
112.42688	0.7
119.08583	0.8
120.08009	0.7
121.08897	5.7
122.09676	8.1
123.10394	1.1
124.07594	0.9
124.11105	0.8
133.10126	1.2
134.09613	2.2
135.11707	8.8
136.11215	3.8
137.13281	1.7
139.03889	2.7
140.04228	1.1
141.10204	1.3
145.06401	1.0
150.12784	16.1
151.13585	5.4
152.14334	3.5
154.08572	0.8
161.13249	0.8
162.12755	2.5
164.14357	26.6
165.07861	15.3
166.08621	2.3
166.16042	3.6
178.15884	3.0
179.11841	0.9
179.14330	1.7
180.13820	0.8
190.12228	1.8
193.13412	0.9
196.09703	1.0
196.17007	0.8
205.17017	1.1
206.15422	2.4
208.13339	24.6
208.16823	1.4
210.14882	9.6
213.12332	1.2
221.16490	5.0
222.14784	1.2
223.18019	10.6
249.16017	3.1
249.19652	2.4
250.14378	11.0
252.15921	2.6
267.17041	100.0
268.17618	1.1
269.18655	5.4
293.18692	1.7
294.17114	1.8
311.05432	4.3
311.19656	87.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.1965
Annotation	Unknow
Peak:m/z	Relative Intensity
54.17662	0.7
54.47763	0.7
57.03428	0.8
57.17512	0.7
64.29796	0.7
70.04471	1.9
70.04859	1.6
72.04520	3.7
79.05482	2.8
80.05012	2.7
81.07049	1.6
82.06576	1.3
83.08601	0.9
87.05569	2.4
91.05472	3.5
93.07023	4.9
94.06553	1.1
95.08593	1.7
96.08076	0.9
98.97588	0.8
104.24993	0.8
105.07024	1.4
107.08587	2.8
108.08119	56.0
109.10167	1.2
110.09737	0.8
121.08876	4.4
122.09667	7.4
123.10390	0.9
124.07554	1.6
133.10117	1.9
134.09627	1.9
135.11707	8.1
136.11250	3.8
137.13261	1.3
139.03896	1.3
141.10211	1.2
148.11284	0.9
150.12785	18.3
151.08647	1.7
151.13583	4.2
152.14342	3.3
161.13271	1.0
162.12775	2.4
164.14357	25.8
165.07851	18.0
166.08636	1.9
166.15930	1.6
176.14413	1.0
178.15898	2.9
190.12247	1.4
204.13821	0.9
206.15373	2.8
208.11494	1.5
208.13345	24.9
210.14868	3.4
213.12170	1.2
221.16579	5.0
223.18056	12.5
249.16000	3.3
249.19557	0.8
250.14388	12.6
252.16042	1.7
267.17044	100.0
269.18716	1.1
293.15213	1.0
293.18549	2.5
294.17026	1.4
311.05261	4.1
311.19650	96.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.1966
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	1.4
56.05027	0.7
59.30856	0.6
67.05499	2.0
69.07055	1.2
70.02962	0.7
70.06592	4.3
71.52733	0.8
72.04523	3.5
79.05498	4.3
80.05016	2.5
81.07053	3.1
82.06551	0.8
84.08165	1.1
86.09705	2.3
87.05587	0.9
90.33519	0.7
91.05468	2.8
93.05743	0.8
93.07050	5.1
95.04969	0.8
95.08602	2.2
96.04455	0.9
96.08123	0.8
97.03987	0.8
98.97584	2.1
105.07007	1.9
107.08646	4.0
108.08125	54.7
109.10150	1.7
110.09675	1.7
113.18926	0.8
116.07034	0.7
117.05497	0.7
117.07053	1.3
119.08569	1.8
120.08113	1.0
121.06493	1.2
121.08896	5.1
121.10114	0.7
122.09657	5.9
123.11752	0.9
124.07605	4.6
130.08669	0.6
131.08551	1.2
133.10141	2.2
134.09630	1.6
135.10498	1.4
135.11696	7.5
136.11232	2.2
137.02286	1.1
137.06004	1.0
137.13239	0.8
141.10249	0.7
143.04538	2.5
145.05406	1.3
145.06490	15.3
145.10110	1.3
147.04446	0.9
150.12785	13.9
151.13527	4.9
152.14357	3.1
155.08502	0.7
158.99747	0.9
159.07961	0.7
161.05939	2.3
161.13235	1.2
162.12779	1.7
164.14372	24.2
165.07858	15.0
165.09129	1.2
166.08699	2.4
166.15916	4.0
171.08026	1.0
176.14430	1.4
178.15924	2.6
179.11893	0.9
179.14331	0.7
187.07574	0.8
187.68948	0.7
190.12306	1.7
191.08597	0.7
194.10712	0.7
195.07715	1.9
195.11621	1.2
204.14015	0.8
206.15381	2.2
208.11467	1.5
208.13339	23.9
208.16583	1.0
209.13370	0.9
210.14932	4.3
221.16501	3.8
223.11060	0.8
223.14879	0.9
223.18082	13.7
247.14668	0.8
249.16068	2.7
250.14365	12.3
251.10805	0.9
251.14450	1.3
265.15866	3.0
265.18832	1.2
267.17056	78.4
269.18640	1.7
270.89316	0.7
275.14291	1.1
283.16830	1.2
293.15369	2.7
293.18652	2.7
294.16891	1.7
300.10321	1.1
311.05655	1.3
311.19672	100.0
312.19995	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.1641
Annotation	7-Methoxy-2,2,4-trimethyl-3-(4-methoxyphenyl)-2H-1-benzopyran
Peak:m/z	Relative Intensity
53.03977	0.5
55.01876	0.8
55.05505	1.9
56.96566	0.8
57.07074	0.7
61.88934	0.5
62.95758	0.4
67.05511	3.8
69.07062	1.9
69.46902	0.4
70.70337	1.3
71.04997	0.7
79.05493	3.3
81.03427	0.8
81.07051	6.3
83.04987	1.7
83.08624	1.8
83.76496	0.5
84.04575	0.5
85.02921	0.6
85.06540	0.5
90.78197	0.5
91.05471	4.0
93.07049	3.8
95.04977	0.7
95.08622	3.6
97.02849	0.8
97.06535	1.4
97.10146	0.6
99.08109	1.7
105.07048	3.0
105.59515	0.5
107.04961	0.6
107.08579	2.4
109.06522	0.6
109.10179	1.8
109.55643	0.5
111.08050	0.6
115.05447	3.4
117.07021	3.6
119.08591	1.8
121.06485	1.3
121.10194	2.1
123.08076	1.3
123.11722	0.6
124.98167	0.4
125.09624	1.1
129.07062	0.8
131.08549	1.4
133.10129	1.5
135.08035	0.8
135.11674	1.1
137.05969	0.7
137.09625	1.0
139.03856	0.7
141.06934	0.5
142.21869	0.4
143.08549	1.3
145.06488	100.0
145.10133	1.3
147.11595	0.9
149.09592	1.2
157.06465	0.9
157.10072	0.9
159.04385	0.9
159.11604	0.6
160.07584	0.7
161.09651	1.0
169.06509	0.9
171.08044	1.8
173.05881	0.6
179.10718	1.2
181.06561	0.5
183.08051	1.5
185.09589	1.0
187.03877	0.6
195.07991	0.8
197.09615	0.6
199.03905	0.7
209.09857	0.6
213.05464	2.2
213.09151	0.6
219.08075	0.7
221.04376	0.5
223.11076	0.6
232.12569	0.5
233.09613	0.5
235.11218	0.7
251.14334	1.3
255.17450	0.5
257.18814	0.7
260.11981	0.7
265.12189	0.8
265.15778	1.9
267.13931	0.8
267.16953	0.5
275.14224	3.0
275.20071	1.7
293.15155	2.8
293.21048	1.2
311.12772	2.0
311.16351	19.5
311.19662	2.2
311.23178	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.1604
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.4
55.01874	0.8
56.05037	0.5
56.96577	0.8
57.03423	0.5
58.06602	1.5
61.02924	0.5
67.05489	0.9
69.03437	0.8
70.06586	0.7
71.01340	0.6
71.51675	0.4
81.03420	2.1
84.08147	43.6
85.02906	1.2
85.06548	1.4
86.09716	1.4
97.02940	0.6
98.09679	1.9
98.97590	3.0
106.71093	0.4
109.02861	0.8
114.12811	5.9
116.98630	1.6
119.01938	0.6
123.04459	1.4
126.97099	0.3
127.03934	1.4
129.13889	1.3
130.08652	21.6
130.12276	7.0
131.15419	0.3
133.07652	0.7
134.99655	0.4
135.04410	0.9
137.02350	100.0
137.03397	6.5
138.02641	0.4
138.05516	3.4
150.07758	0.7
155.01904	0.4
158.11790	1.1
163.03894	4.0
170.06662	1.1
173.01190	0.4
175.14432	30.4
177.06613	3.1
180.08791	0.8
185.02875	0.4
197.45320	0.4
204.10165	0.6
219.01836	0.5
251.04416	0.7
265.15634	0.9
293.05331	1.2
293.14917	1.9
311.06586	1.9
311.12744	4.8
311.16010	94.3
312.16418	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	310.2531
Annotation	Holaromine
Peak:m/z	Relative Intensity
53.03946	0.6
54.01120	0.4
55.05518	2.8
56.96562	0.6
57.07059	1.0
65.03928	0.5
67.05510	5.0
68.05836	0.5
69.07077	2.7
69.22610	3.5
70.06598	4.0
71.08626	0.4
79.05075	0.5
79.05502	6.3
80.05025	0.6
81.03384	0.6
81.07064	5.8
83.04948	0.5
83.07366	1.0
83.08603	1.2
85.02918	0.4
85.19020	0.3
91.04984	0.5
91.05488	5.8
93.07050	6.8
94.06564	0.8
95.04958	1.0
95.08624	2.5
96.08142	2.3
96.08669	0.3
97.02901	0.4
97.10151	1.1
99.04466	0.5
103.31538	0.4
105.07039	6.7
107.08617	3.4
108.08118	1.0
109.06550	0.8
109.10147	1.6
110.10438	0.8
111.04496	0.5
113.09467	0.3
117.07022	2.5
118.06556	0.6
119.07825	0.4
119.08598	5.0
120.08080	1.3
120.08878	0.4
121.06467	0.5
121.10138	1.3
122.09669	5.6
123.04450	0.7
128.06187	0.7
129.07018	4.8
130.07813	0.5
131.08580	5.8
132.08037	0.4
133.10112	2.5
134.09677	1.0
135.08101	0.4
135.11665	0.7
136.11211	1.6
137.09648	0.5
137.11972	1.8
138.12733	0.4
141.06969	0.7
142.07774	0.4
143.08563	3.7
144.09317	0.9
145.10136	4.8
146.09647	2.7
147.11700	1.0
148.11230	1.3
149.09671	0.5
149.13269	0.7
150.12772	0.9
155.08568	0.5
157.08923	0.8
157.10136	4.2
158.09660	0.9
158.10970	0.5
159.10410	0.4
159.11673	0.9
160.11223	1.4
161.09570	0.4
161.12074	0.5
161.13284	1.7
162.12755	1.1
162.42877	0.4
165.09154	0.7
166.09457	0.9
169.10120	0.4
171.11731	2.8
172.11232	1.2
173.11920	0.6
173.13286	5.0
174.12785	3.6
175.14859	0.8
176.14308	0.5
183.11713	1.1
184.11214	0.9
185.11856	0.4
185.13290	1.3
186.12791	6.9
187.13547	0.4
188.14320	1.2
194.12646	0.8
195.11729	0.4
196.11385	0.6
198.12822	1.4
199.14986	0.7
200.14381	1.3
209.11768	1.5
211.13501	0.6
212.14334	3.2
213.15108	0.5
214.15880	0.4
217.11407	0.4
224.14368	1.3
226.15926	3.9
227.17981	1.4
228.17520	1.6
237.11214	1.2
238.01105	0.4
238.15878	1.6
240.17513	4.6
241.18259	1.6
252.17412	2.6
254.19017	3.2
255.19856	0.4
266.19000	1.7
275.20123	0.7
280.20670	2.2
281.21378	0.8
282.22141	0.4
292.19888	4.7
292.22812	1.1
293.20926	0.5
308.23810	0.9
310.25299	100.0
311.25415	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2788
Annotation	2,10-Dimethyl-7-(3-methylbutyl)-6-methylenedodecane
Peak:m/z	Relative Intensity
53.03938	2.4
55.01868	2.9
55.05276	1.6
55.05515	20.9
56.96551	3.3
57.03426	3.9
57.07077	14.8
59.04994	3.8
59.39387	1.0
65.03925	2.2
67.05505	39.4
69.03432	8.1
69.07068	60.8
70.02930	2.1
70.13927	2.9
71.04992	8.3
71.08629	7.4
72.68125	1.1
77.03922	1.8
79.05065	1.9
79.05494	25.4
80.05003	1.4
81.03403	3.2
81.07057	100.0
83.04966	4.3
83.08157	1.6
83.08622	27.1
84.04488	1.0
85.02916	4.0
85.06554	14.3
85.10168	2.6
91.05483	18.5
93.07045	40.0
94.06566	2.2
95.04984	5.7
95.08608	70.6
96.08114	1.4
97.02880	3.9
97.06537	9.5
97.10162	12.5
98.97593	2.3
98.98460	9.5
99.08076	5.1
105.07034	24.4
105.26405	1.1
106.06567	1.1
107.07880	2.2
107.08594	37.4
108.08099	4.2
109.02892	1.4
109.06521	8.3
109.10156	55.1
111.04425	1.5
111.08084	11.8
111.11716	12.3
113.05985	1.7
116.03490	1.0
117.03429	1.8
117.07012	2.8
119.04939	1.2
119.08572	16.1
121.06510	2.0
121.10145	20.6
122.09695	11.8
123.08062	8.0
123.11708	46.8
124.07589	1.9
124.12033	1.2
125.09577	1.4
125.13293	5.5
127.07497	2.4
131.00186	1.1
131.08557	4.6
133.10147	9.4
133.11591	1.1
134.09601	1.6
135.08031	3.4
135.11693	23.1
136.97717	1.0
137.09625	5.0
137.13258	15.9
138.09077	1.4
139.11185	10.4
141.09132	1.0
143.04568	1.2
143.08546	2.1
145.02867	3.6
145.10115	3.6
147.04370	2.3
147.08110	1.9
147.11702	12.9
149.09637	2.0
149.12178	1.7
149.13271	15.2
150.09116	1.4
150.65775	1.2
151.11180	3.0
151.14780	4.1
153.12749	15.2
155.10652	2.0
155.14268	2.9
157.10167	2.0
159.11696	3.4
161.09607	1.5
161.13263	6.4
163.03925	1.6
163.11238	1.7
163.14803	6.6
164.10735	1.5
165.12766	8.6
165.16371	2.1
167.14308	2.8
169.10048	1.2
171.11710	1.2
175.14810	3.2
176.14330	2.1
177.05469	6.5
177.12668	2.9
177.16380	5.1
179.14240	1.4
179.17941	1.5
180.23732	1.0
183.13791	4.5
187.14920	1.4
188.14412	1.2
189.16408	2.0
191.17961	3.7
193.14601	1.5
194.15456	1.5
203.17964	2.9
206.15422	2.0
217.15860	1.0
217.19499	4.1
224.08104	1.8
235.13191	1.3
238.13278	1.1
250.14386	5.3
255.17511	1.2
261.25781	1.4
265.19122	1.3
273.18466	6.2
273.25699	9.8
277.08893	1.3
279.26822	1.8
291.16910	2.3
291.19553	9.0
291.26801	14.5
292.15396	3.9
309.11197	1.2
309.14499	2.4
309.17981	15.9
309.20712	3.4
309.27866	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	309.2789
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13671	0.8
53.03943	1.8
55.01869	4.0
55.05511	19.4
56.96566	1.1
57.03433	6.6
57.07083	9.2
59.04997	4.6
65.03944	1.1
67.05512	17.6
69.03434	7.6
69.07071	42.2
70.06592	1.9
70.67120	1.4
70.67480	1.8
71.04996	5.6
71.08630	6.2
72.08149	1.3
73.06548	1.1
79.05502	10.5
81.03426	2.4
81.07058	49.5
83.04982	3.7
83.08622	15.3
84.08153	3.6
85.02905	2.2
85.06544	9.8
89.03912	5.6
91.05482	9.7
93.07050	20.2
95.04985	4.4
95.08612	39.9
97.02895	67.1
97.06539	7.6
97.10188	8.0
98.97578	2.5
98.98479	8.7
99.08093	12.8
100.11269	1.7
101.05932	1.1
105.07038	10.6
107.04975	1.4
107.08591	17.3
109.02873	1.1
109.06499	5.2
109.10162	23.9
111.04509	1.0
111.08088	24.4
111.11707	4.1
113.06001	1.6
113.09629	1.1
115.07565	1.4
116.98699	1.2
117.02621	1.7
117.03391	22.0
117.04232	1.0
117.07043	1.8
118.65748	0.9
119.04977	2.8
119.08585	7.3
121.06516	1.8
121.10157	10.3
123.04343	1.0
123.08065	3.3
123.11712	22.1
125.09652	5.2
125.13298	2.5
127.07549	4.6
128.06129	0.9
129.07014	2.0
131.08574	3.3
133.10147	4.7
134.03636	2.0
135.08035	2.1
135.11707	9.1
137.09650	2.1
137.13252	7.9
139.11183	3.3
143.08600	1.4
144.37486	1.0
145.02850	55.9
145.10139	3.3
147.04428	10.5
147.08049	1.9
147.11702	6.0
149.06001	6.8
149.13277	8.4
151.11209	2.1
151.14862	2.9
153.12778	3.1
157.10146	1.6
158.99634	1.1
159.04401	0.9
159.08153	0.9
159.11694	1.7
161.09694	1.4
161.13297	3.6
163.03990	1.8
163.14793	5.7
165.12730	4.4
167.03426	2.0
167.14291	1.0
169.06874	0.9
171.11697	1.0
173.13298	1.4
174.99260	2.0
175.14796	1.3
177.05478	100.0
177.16408	3.5
178.05894	2.0
179.14438	0.9
182.15405	5.1
189.05588	0.9
189.16426	1.5
191.03481	1.0
191.17970	1.5
195.06461	1.8
195.17447	1.0
203.17937	1.9
204.14005	1.1
205.19498	1.2
209.19006	1.7
210.14865	1.9
215.07036	1.0
217.15926	1.9
217.19478	1.9
219.01646	1.0
227.07045	1.7
233.08119	1.0
235.16942	1.1
245.08151	2.0
247.24280	1.3
260.16534	1.3
263.21027	0.9
273.07468	2.4
273.18430	5.3
273.25671	4.3
277.08493	1.7
277.19095	2.8
285.56540	0.9
291.08661	2.6
291.19559	8.9
291.26822	19.8
309.07422	2.8
309.10098	4.0
309.14459	1.6
309.20535	4.3
309.27829	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	309.279
Annotation	2,10-Dimethyl-7-(3-methylbutyl)-6-methylenedodecane
Peak:m/z	Relative Intensity
52.87735	1.3
53.03947	2.7
55.01875	6.8
55.05268	2.4
55.05514	33.6
56.96557	2.5
57.03440	9.9
57.07079	25.2
59.05003	100.0
65.03923	1.7
67.05505	32.4
68.27076	1.4
69.03434	10.3
69.07069	99.3
69.73155	7.1
70.07418	2.1
71.04998	8.2
71.08634	20.3
73.06546	3.6
79.05492	21.4
81.03404	2.7
81.07058	100.0
81.47472	1.4
83.04973	5.7
83.08619	37.0
85.02901	4.7
85.06551	11.7
85.10199	3.0
89.03923	3.5
90.32804	1.2
91.05479	14.2
93.07043	37.9
93.07639	1.9
95.04961	6.2
95.08610	90.6
96.08912	1.8
97.02899	30.2
97.06536	15.3
97.10168	14.6
98.97601	4.4
98.98469	31.7
99.08095	13.9
100.11242	1.4
105.07039	16.7
107.04961	4.3
107.08599	40.9
109.02908	1.9
109.06528	6.0
109.10164	48.9
111.04465	2.3
111.08092	24.2
111.11723	14.5
115.07565	1.7
117.03377	15.2
117.07034	2.2
117.09129	20.3
119.04955	3.5
119.08572	13.2
121.06532	8.6
121.10138	26.2
123.04528	1.9
123.08063	3.9
123.11706	49.5
124.12025	1.4
125.09641	6.0
125.13268	5.6
127.03864	1.6
127.07540	4.3
127.11124	1.3
129.05438	1.5
129.07047	2.8
131.08572	3.0
133.10144	7.9
135.04434	5.7
135.08069	1.8
135.11694	18.5
137.09651	1.8
137.13272	18.0
139.11177	6.5
141.06888	1.8
145.02855	32.1
145.10194	2.3
147.04404	15.8
147.07977	1.6
147.11678	12.1
149.05930	2.9
149.09534	1.5
149.13277	18.6
151.07603	1.9
151.11168	4.5
151.14813	3.9
153.12753	8.9
159.11612	1.6
161.09564	1.6
161.13246	7.9
163.03909	27.8
163.14783	12.0
165.12761	8.6
165.16373	2.7
167.14307	5.8
174.99361	2.9
175.13345	1.7
175.14828	4.5
177.05481	54.5
177.16400	5.5
179.14343	4.1
179.17889	1.9
181.05055	1.7
185.13248	1.4
189.16379	2.8
190.12294	1.6
191.17868	3.0
193.15874	2.1
195.17500	2.2
203.17886	3.4
205.19571	2.1
209.19011	2.5
217.15987	1.6
217.19563	4.1
221.19032	1.9
235.20485	1.9
237.16188	1.8
261.25842	2.0
273.18423	5.0
273.25699	10.4
277.08545	2.2
291.19653	7.2
291.26810	29.0
309.07327	2.8
309.11111	4.3
309.20956	4.2
309.27872	36.5
310.18042	2.6
321.68112	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2425
Annotation	Methyl (10E,12Z,15Z)-9-hydroxyoctadeca-10,12,15-trienoate
Peak:m/z	Relative Intensity
53.03947	3.6
55.01868	11.2
55.05512	39.3
56.96567	9.2
57.03437	7.8
57.07081	15.7
58.06597	2.5
59.04993	4.5
60.98229	2.6
61.12284	2.4
64.13097	2.1
65.03910	2.8
67.05507	90.3
69.03430	3.1
69.07069	44.6
71.04999	12.6
71.08635	35.9
79.05499	54.9
81.03424	7.9
81.07060	80.6
83.04983	18.0
83.08619	23.7
85.06543	7.0
86.09700	7.3
91.05478	42.0
93.07047	74.1
95.04980	22.4
95.08611	60.2
97.06551	20.4
97.10162	15.2
99.08092	27.4
103.00121	2.3
104.10744	10.8
105.07033	39.8
105.41309	2.4
107.04940	8.7
107.08601	34.6
108.42313	2.5
109.06508	10.5
109.10156	29.6
110.10525	2.4
111.04479	2.9
111.08083	13.7
112.99139	5.0
113.05966	4.4
113.09580	3.3
115.05459	3.0
117.07021	10.6
119.08582	24.9
121.06496	6.2
121.10151	27.7
123.08089	9.4
123.11716	11.0
124.99993	3.1
125.06021	3.1
125.09635	8.9
129.07018	9.9
129.52457	11.7
131.00215	4.1
131.08575	11.2
133.06508	3.6
133.10133	28.6
135.08054	5.9
135.11708	25.5
137.09634	7.7
137.13223	3.3
138.52948	9.8
139.07516	6.4
139.11160	9.8
143.08575	6.2
145.10127	15.2
147.08029	4.8
147.11671	22.9
148.53236	3.9
149.01067	2.9
149.09650	6.2
149.13239	15.4
150.03833	3.0
151.11186	19.6
153.12834	2.9
157.10066	12.7
157.53781	11.4
159.11641	5.4
161.13303	21.1
163.11200	10.8
163.14903	4.2
165.09189	4.3
165.12805	7.1
166.54251	4.7
169.04543	6.8
169.10049	3.2
169.12283	2.8
171.11691	7.2
173.11830	4.0
173.13298	5.5
175.11259	6.4
175.14841	8.5
177.12709	3.9
179.14333	7.5
184.07382	12.8
185.13362	5.4
189.12785	2.8
193.12219	10.4
193.15822	3.6
203.12737	4.9
203.14488	3.3
207.13788	4.6
217.19542	4.4
221.15395	5.0
222.03162	2.6
231.21132	8.2
241.19560	9.4
249.22137	5.6
259.20605	13.8
267.64621	12.1
268.14896	5.5
273.18423	3.9
276.65283	9.4
277.15500	5.4
277.21628	100.0
288.16025	6.6
288.66187	4.5
291.19550	13.9
291.23145	6.6
295.22476	2.7
297.16583	4.2
309.17319	2.5
309.21109	3.0
309.24292	56.7
309.29706	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	309.2424
Annotation	Methyl (10E,12Z,15Z)-9-hydroxyoctadeca-10,12,15-trienoate
Peak:m/z	Relative Intensity
53.03941	3.1
55.01867	3.0
55.05510	13.5
57.03435	4.2
57.07076	2.8
67.05177	2.9
67.05511	37.7
69.07078	14.6
70.79870	4.7
71.01357	1.6
71.04990	2.7
71.08241	2.1
71.08637	44.4
78.83025	1.7
79.05497	39.3
81.03435	3.7
81.07062	46.9
83.04991	10.8
83.08625	9.2
85.06540	3.9
91.05487	23.6
93.07049	48.8
95.04975	5.3
95.08618	33.4
95.09189	3.4
97.06551	9.8
97.10157	5.1
99.07485	3.6
99.08101	45.3
99.08753	2.2
105.07042	13.4
107.04951	7.5
107.08595	28.4
109.06495	2.1
109.10159	9.8
111.08096	3.1
117.07024	3.3
119.08600	11.2
120.30234	1.8
121.10157	27.3
131.08527	3.5
133.10068	8.4
135.11707	31.0
137.09618	3.6
141.09125	3.3
143.08521	2.7
145.10146	5.9
145.22987	1.8
147.11676	5.7
149.13261	11.0
151.11180	18.5
153.12758	1.7
159.11739	2.5
161.13321	8.5
163.11197	5.5
163.14830	2.7
167.10773	2.3
171.11774	2.0
173.13286	3.5
177.12788	3.7
179.14320	100.0
189.12747	2.9
195.13815	2.0
221.15315	3.6
231.21388	1.7
235.16988	6.4
241.19669	4.2
259.20636	5.5
277.21646	68.5
298.17441	2.2
309.24161	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	309.2425
Annotation	Palmityl Trifluoromethyl Ketone
Peak:m/z	Relative Intensity
53.03953	9.1
53.13180	1.7
55.01863	5.9
55.05513	24.4
57.03428	4.1
57.07067	6.2
59.04995	1.6
67.05506	53.3
69.03425	6.7
69.07068	22.4
69.91875	7.5
71.04976	2.6
71.08615	7.2
73.06533	2.0
78.53323	1.6
79.05019	1.8
79.05486	32.6
79.05913	2.4
81.02942	2.0
81.03421	39.2
81.07056	39.5
83.04983	9.8
83.08616	7.1
85.06541	5.4
91.05486	18.8
93.07043	47.3
95.04977	22.6
95.08602	32.0
95.09178	2.5
97.06532	5.6
97.10175	9.5
99.08088	4.5
105.07017	14.4
105.83575	1.5
107.04926	1.5
107.08603	24.3
109.06509	5.1
109.10168	25.0
111.11699	2.1
117.07027	6.0
119.08580	15.8
121.10154	32.5
123.08127	1.7
123.11710	8.5
125.09624	3.5
126.64175	1.6
129.07007	2.1
131.08565	6.8
133.10136	15.1
135.11700	17.3
137.09613	22.7
139.11182	18.8
143.08553	4.3
145.10123	4.4
147.11678	9.8
149.09634	6.4
149.13260	10.2
151.11192	10.1
157.10112	3.2
159.11743	4.8
161.13284	6.3
163.11169	4.1
163.14806	4.5
167.10672	5.0
171.11708	3.6
171.13820	1.7
173.13330	7.3
175.14796	3.9
179.14328	2.3
185.13255	5.3
191.14296	2.5
193.12135	2.1
193.15918	2.2
199.14873	5.2
217.14343	22.0
221.15327	4.4
231.21098	4.3
235.16867	2.2
241.19511	8.5
249.22189	5.5
259.20587	6.7
277.21631	100.0
291.19568	6.5
309.24310	6.3
321.75256	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2425
Annotation	Unknow
Peak:m/z	Relative Intensity
50.74755	1.1
53.03947	9.2
55.01864	5.0
55.05510	16.9
56.86589	1.1
57.03425	1.8
57.07070	5.1
65.03930	1.6
67.05508	38.9
69.03468	1.2
69.07069	26.2
69.19445	11.5
71.04996	2.0
71.08622	2.5
79.05499	25.3
81.03426	45.2
81.07059	33.8
83.04982	10.3
83.08614	8.0
85.06542	2.6
85.10178	3.0
91.05490	15.3
93.07045	25.0
95.04975	24.8
95.08619	14.0
96.33498	1.1
97.06513	3.6
97.10184	6.1
99.08097	2.8
101.26588	1.1
105.07031	14.9
107.04958	1.6
107.08598	20.7
109.06524	5.9
109.10155	11.4
111.08091	2.3
117.07031	3.4
119.08601	10.4
121.10155	7.5
123.08086	2.1
123.11700	5.2
125.09636	9.1
129.07031	1.6
131.08585	3.1
133.10158	10.1
135.08028	3.8
135.11717	6.4
137.09520	1.4
137.13303	1.8
143.08585	2.4
145.10147	2.3
147.08095	2.0
147.11722	10.0
149.09610	1.6
149.13254	5.8
151.09982	1.8
151.11191	33.9
153.09087	4.4
157.10191	1.7
161.13286	7.8
163.14799	3.9
165.12769	7.8
171.11716	2.3
175.11229	1.2
175.14859	3.1
177.12650	1.3
179.14299	5.2
185.13220	2.3
189.12852	2.3
191.14230	1.4
193.12236	1.8
203.12775	7.9
207.13802	3.8
217.19539	1.6
221.15347	1.9
231.21034	10.5
231.23033	1.4
241.19521	5.2
249.22153	4.3
259.20636	7.9
277.21637	100.0
309.24268	4.1
319.05518	1.1
328.00424	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2425
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	3.6
55.01868	11.2
55.05512	39.3
56.96567	9.2
57.03437	7.8
57.07081	15.7
58.06597	2.5
59.04993	4.5
60.98229	2.6
61.12284	2.4
64.13097	2.1
65.03910	2.8
67.05507	90.3
69.03430	3.1
69.07069	44.6
71.04999	12.6
71.08635	35.9
79.05499	54.9
81.03424	7.9
81.07060	80.6
83.04983	18.0
83.08619	23.7
85.06543	7.0
86.09700	7.3
91.05478	42.0
93.07047	74.1
95.04980	22.4
95.08611	60.2
97.06551	20.4
97.10162	15.2
99.08092	27.4
103.00121	2.3
104.10744	10.8
105.07033	39.8
105.41309	2.4
107.04940	8.7
107.08601	34.6
108.42313	2.5
109.06508	10.5
109.10156	29.6
110.10525	2.4
111.04479	2.9
111.08083	13.7
112.99139	5.0
113.05966	4.4
113.09580	3.3
115.05459	3.0
117.07021	10.6
119.08582	24.9
121.06496	6.2
121.10151	27.7
123.08089	9.4
123.11716	11.0
124.99993	3.1
125.06021	3.1
125.09635	8.9
129.07018	9.9
129.52457	11.7
131.00215	4.1
131.08575	11.2
133.06508	3.6
133.10133	28.6
135.08054	5.9
135.11708	25.5
137.09634	7.7
137.13223	3.3
138.52948	9.8
139.07516	6.4
139.11160	9.8
143.08575	6.2
145.10127	15.2
147.08029	4.8
147.11671	22.9
148.53236	3.9
149.01067	2.9
149.09650	6.2
149.13239	15.4
150.03833	3.0
151.11186	19.6
153.12834	2.9
157.10066	12.7
157.53781	11.4
159.11641	5.4
161.13303	21.1
163.11200	10.8
163.14903	4.2
165.09189	4.3
165.12805	7.1
166.54251	4.7
169.04543	6.8
169.10049	3.2
169.12283	2.8
171.11691	7.2
173.11830	4.0
173.13298	5.5
175.11259	6.4
175.14841	8.5
177.12709	3.9
179.14333	7.5
184.07382	12.8
185.13362	5.4
189.12785	2.8
193.12219	10.4
193.15822	3.6
203.12737	4.9
203.14488	3.3
207.13788	4.6
217.19542	4.4
221.15395	5.0
222.03162	2.6
231.21132	8.2
241.19560	9.4
249.22137	5.6
259.20605	13.8
267.64621	12.1
268.14896	5.5
273.18423	3.9
276.65283	9.4
277.15500	5.4
277.21628	100.0
288.16025	6.6
288.66187	4.5
291.19550	13.9
291.23145	6.6
295.22476	2.7
297.16583	4.2
309.17319	2.5
309.21109	3.0
309.24292	56.7
309.29706	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	309.2214
Annotation	Callyspongenol A
Peak:m/z	Relative Intensity
50.64038	1.5
53.03941	6.1
55.01883	3.7
55.05512	15.7
57.03423	7.3
57.07063	4.3
65.03932	2.6
67.05508	33.4
67.29636	1.8
67.55428	1.6
68.85057	1.6
69.03460	2.6
69.07072	18.3
69.90156	6.0
71.04969	3.4
77.03907	3.1
79.05498	31.4
81.03402	5.4
81.07065	47.7
83.04983	3.1
83.08640	8.4
91.05486	46.8
93.07048	80.7
93.07638	3.9
95.04371	3.5
95.04974	66.9
95.08611	45.2
97.06536	20.9
103.05436	4.1
105.07037	91.5
107.04965	3.1
107.08599	43.8
109.06537	11.8
109.10162	26.6
111.08041	3.5
115.05470	5.1
116.06182	2.3
116.65475	1.7
117.07027	14.2
119.06091	2.1
119.08585	68.6
121.06516	13.3
121.10149	100.0
123.08066	10.4
123.11692	6.4
128.06213	9.0
129.07007	15.9
130.07797	5.9
131.08572	37.3
132.24562	1.7
133.06543	2.5
133.10139	43.2
135.08051	6.9
135.11711	10.6
137.09549	1.8
141.06982	7.7
142.07782	14.6
143.08588	36.2
144.09346	7.9
145.06451	2.0
145.10129	55.7
147.08037	5.5
147.11690	15.3
149.09660	6.0
153.07011	2.0
154.07751	3.2
155.08527	8.2
156.09346	13.5
156.15779	1.7
157.10136	37.6
158.10899	6.1
159.08066	3.9
159.11699	48.8
161.09654	9.4
161.13274	7.2
163.11172	2.7
165.07031	2.3
165.09196	1.8
167.08562	4.0
168.09340	2.4
169.10139	20.2
170.10896	7.2
171.11693	21.9
172.12590	2.0
173.09633	2.8
173.13268	21.1
175.14801	10.4
179.08546	3.6
180.09302	2.3
181.10164	7.9
182.10867	6.7
183.08118	2.2
183.11688	15.5
184.12537	2.7
185.13217	13.3
187.11237	13.3
187.14842	25.4
189.12682	3.1
192.09280	1.8
193.10185	6.2
193.12262	8.5
194.10863	2.3
195.11694	7.5
196.12431	3.2
197.13303	11.0
199.11188	3.6
199.14871	11.1
200.15564	2.1
201.12820	3.9
201.16426	3.1
206.10909	3.5
207.11728	5.4
209.13332	9.7
211.14796	9.9
213.16331	4.1
215.14368	3.6
219.11609	2.5
220.12541	3.1
221.13182	4.7
223.14888	4.3
225.12759	2.8
225.16415	4.7
227.14366	3.4
235.14847	6.8
239.14380	2.3
239.17990	3.8
241.19650	1.8
247.14799	1.8
249.16415	3.4
253.15860	5.8
253.19557	2.4
273.18390	1.9
281.22708	5.9
291.20917	6.9
309.22153	76.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2213
Annotation	Callyspongenol A
Peak:m/z	Relative Intensity
53.03936	8.5
55.01856	5.2
55.05515	21.3
57.03424	9.2
57.07084	3.5
62.39492	2.4
63.31376	2.2
65.03937	5.5
67.05511	52.9
69.07072	24.9
71.04973	4.5
71.08633	6.4
71.16847	4.4
78.82307	2.2
79.05499	45.9
81.03409	8.5
81.06596	3.6
81.07058	56.7
83.04964	6.0
83.08618	8.9
90.22592	2.3
91.05489	48.9
93.07051	92.6
95.04975	67.8
95.08609	51.8
97.06539	25.5
97.10172	8.4
99.08104	6.8
103.05451	4.9
105.04555	2.2
105.07036	89.7
107.04953	4.3
107.08596	49.8
109.06518	15.6
109.10160	29.4
111.08089	3.5
115.05453	6.1
117.07018	24.4
119.08585	69.4
121.06523	11.2
121.10147	100.0
123.08073	11.4
123.11663	8.5
125.09611	4.6
128.06206	8.7
129.07037	14.4
130.07814	5.5
131.08575	44.0
132.10219	2.2
133.06555	3.4
133.07594	2.2
133.10133	49.2
133.11090	3.9
135.08052	8.1
135.11734	14.7
137.09631	5.5
141.06985	7.8
142.07800	16.0
143.08575	31.0
144.09337	7.9
145.10120	55.2
147.08066	4.9
147.11696	12.0
149.09648	3.2
149.13248	4.8
151.11201	6.3
155.08559	10.5
156.09349	9.8
157.10132	42.5
158.10898	6.5
159.08080	3.7
159.11705	37.9
161.09593	12.7
161.13263	8.2
163.11197	5.6
167.08598	5.5
169.10149	19.3
170.10873	4.0
171.11674	21.6
173.09613	3.1
173.13284	17.9
175.11209	3.4
175.14828	8.4
179.08594	2.9
181.10092	2.9
183.11691	12.5
185.13223	13.4
187.11162	13.8
187.14795	21.1
189.12740	4.5
193.10208	2.9
195.11690	5.5
197.13300	11.5
199.14819	10.9
207.11781	4.9
209.13329	5.7
211.14804	6.0
213.16263	3.6
220.12407	3.5
223.14752	4.9
225.16324	4.1
235.14720	7.1
239.18013	4.0
249.16440	3.1
251.17915	2.5
253.19476	4.0
265.19540	3.5
277.21625	31.9
281.22787	6.8
291.21017	9.1
309.21982	54.1
309.29022	2.8
323.76486	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	309.2061
Annotation	Corchorifatty acid B
Peak:m/z	Relative Intensity
53.03944	4.2
55.01876	22.9
55.05515	33.1
57.03428	5.0
57.07077	2.4
61.33352	2.1
65.03944	3.2
65.61357	2.1
67.05508	74.6
69.03435	5.7
69.07066	30.7
69.75304	10.9
71.05003	11.2
73.06554	2.6
76.71300	1.8
79.05070	3.7
79.05496	54.4
79.98695	2.1
81.03420	5.0
81.06589	4.3
81.07060	75.0
83.01322	6.2
83.05009	18.2
83.08630	10.8
85.02894	3.7
85.06533	7.7
91.05485	62.4
93.07053	59.5
95.04974	15.8
95.08613	43.8
96.84126	2.4
97.02872	2.4
97.06545	9.1
97.10153	7.7
99.04445	5.6
105.07039	57.2
107.04960	14.8
107.08601	53.5
109.06538	16.0
109.10162	67.6
111.04449	6.0
111.08081	12.4
113.06028	4.5
117.07024	10.6
119.07816	2.7
119.08588	20.8
121.06500	15.9
121.10160	19.3
123.04451	4.8
123.08081	6.7
123.11708	14.2
125.06025	3.5
125.09639	2.6
127.07540	4.8
129.07010	6.5
131.08585	19.8
133.06535	12.0
133.10141	92.5
135.08069	13.7
135.11708	12.0
137.05949	3.3
137.09605	6.9
139.07547	9.1
143.08554	11.7
145.10121	16.3
147.08055	15.4
147.11726	10.6
149.09615	11.9
149.13263	4.0
151.07530	2.0
151.09975	2.9
151.11191	56.9
157.10158	5.6
159.08087	4.2
159.11681	7.2
161.09633	19.5
161.13268	5.2
163.11211	5.7
165.09114	3.5
167.10712	3.3
169.12238	14.0
171.11705	10.0
173.13277	2.8
175.11176	9.1
177.09074	3.1
177.12685	2.8
179.10632	3.4
179.14255	2.5
181.08702	3.3
181.12286	2.4
185.09593	2.4
185.13313	3.9
187.11191	2.4
189.12767	4.4
191.14352	2.2
193.12334	2.6
197.11673	2.2
199.11179	5.5
201.12802	3.4
203.14325	7.2
207.13953	2.2
215.12772	6.9
217.12289	5.0
227.17961	3.4
231.13840	2.3
231.17500	2.4
234.69623	2.0
235.13339	2.0
237.16484	2.8
239.64587	2.2
245.19028	21.0
255.17308	5.7
263.20065	27.2
273.18518	64.8
291.19537	100.0
292.19931	2.8
309.20572	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	309.2061
Annotation	Corchorifatty acid B
Peak:m/z	Relative Intensity
53.03935	4.4
55.01871	18.2
55.05510	27.4
56.92620	1.0
57.03420	4.0
57.07068	2.5
59.04993	2.1
65.03939	2.9
67.05503	65.1
68.03557	1.3
69.03425	5.6
69.07069	22.6
69.75532	1.1
71.04993	10.8
71.08622	1.4
71.22493	2.2
79.05494	43.2
81.03407	4.9
81.07055	81.5
83.01331	3.1
83.04984	16.4
83.08623	10.4
85.02927	1.3
85.06551	6.1
91.05482	50.8
93.07043	46.1
95.04980	9.5
95.07980	1.6
95.08604	32.1
97.02884	1.8
97.06525	7.8
97.10175	3.7
99.04453	5.3
99.08099	4.2
103.05421	1.6
105.04520	1.3
105.07027	54.1
107.04958	8.8
107.08595	52.5
109.06534	10.9
109.10156	80.2
111.04445	7.4
111.08088	9.0
113.06007	3.5
117.07031	7.8
119.08572	13.3
121.06499	10.0
121.10155	11.8
123.04437	3.5
123.08086	5.7
123.11716	11.3
125.06024	1.8
125.09639	4.6
127.07545	4.4
129.06999	4.2
131.08580	12.1
133.06468	7.0
133.10129	100.0
135.08058	7.9
135.11667	8.8
137.05894	3.0
137.09607	4.3
139.07538	5.3
139.11215	1.4
141.06982	1.5
142.07773	1.3
143.08568	5.4
145.06512	2.1
145.10127	9.8
147.08029	10.4
147.11671	5.3
149.09656	5.8
149.13225	1.8
151.11186	62.7
153.09276	1.3
157.10173	4.5
159.08109	2.0
159.11714	5.3
161.09630	11.4
161.13243	4.7
163.11183	4.8
165.09106	2.7
165.12823	1.5
169.12253	21.3
171.11658	4.5
173.13234	1.9
175.11186	4.7
177.12770	1.5
179.10683	4.6
179.14337	1.3
181.08633	2.0
181.12210	1.7
187.11232	2.6
189.12740	3.0
193.12202	2.1
195.13858	1.4
197.11642	1.8
199.11188	2.9
203.14388	3.1
207.13727	1.6
209.11708	1.9
215.12779	9.1
217.12317	3.4
223.13249	2.4
227.17957	3.7
235.13181	1.3
237.16295	1.5
245.18991	13.3
255.17435	4.1
263.20114	13.6
273.18506	36.6
291.19537	59.9
309.20578	25.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2061
Annotation	Corchorifatty acid B
Peak:m/z	Relative Intensity
53.03935	2.1
55.01869	4.0
55.05512	21.2
57.03426	1.7
57.07056	0.6
59.04995	1.0
61.66983	0.4
65.03931	0.9
67.05504	13.5
69.03435	3.8
69.07066	12.5
71.04990	1.4
71.08637	0.5
71.17036	0.7
79.05495	14.6
81.03425	3.1
81.07056	15.8
83.04985	3.4
83.08617	11.1
85.02907	0.9
85.06535	1.0
91.05479	10.5
93.06477	0.9
93.07047	12.4
95.01333	0.8
95.04976	6.1
95.08607	8.2
97.02866	1.3
97.06532	2.6
97.10174	15.1
99.08092	1.2
103.05440	0.6
105.07027	9.2
107.04964	3.0
107.08587	9.9
109.02859	1.0
109.06522	1.6
109.10149	5.0
111.04441	2.0
111.08073	2.5
117.07014	3.7
119.04951	1.1
119.08585	7.3
121.06513	2.0
121.10140	4.7
123.04442	1.0
123.08034	5.0
123.11681	1.1
125.09628	11.7
128.06262	0.5
129.07010	2.1
130.07753	0.6
131.08585	5.2
133.06496	2.2
133.10143	5.1
135.08064	3.7
135.11684	1.9
137.05948	0.8
137.09592	1.4
139.07532	0.8
139.11163	0.6
143.08557	2.1
143.10699	0.6
145.10118	4.0
147.08029	3.4
147.11674	3.3
149.09639	2.0
149.13297	0.7
151.11148	2.6
153.09096	1.3
153.12746	0.9
155.08478	0.5
157.10115	2.0
159.11690	1.2
161.09605	2.8
161.13268	0.6
163.11148	2.1
165.09103	3.2
169.12221	0.5
171.10255	0.5
171.11653	1.6
175.11217	2.4
179.10683	0.5
181.12230	0.9
185.13187	0.6
187.11273	0.7
189.11212	7.6
189.12737	0.9
193.12239	1.6
199.11227	1.0
205.12263	0.9
217.12123	0.7
221.11737	0.8
223.13293	6.6
227.12820	0.6
227.17944	1.1
235.13358	0.8
238.55487	0.5
245.18958	1.7
249.14784	0.8
255.17482	1.1
263.16632	0.6
263.20029	1.4
273.18491	11.1
277.21573	0.9
291.19534	100.0
292.19925	1.1
309.20621	4.7
309.24268	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2061
Annotation	12,13-trans-Epoxy-9-oxo-10E,15Z-octadecadienoic acid
Peak:m/z	Relative Intensity
53.03942	2.6
55.01875	7.2
55.05514	24.1
57.03441	2.3
59.04999	1.7
59.72047	0.9
65.03943	1.3
67.05509	31.7
69.03431	2.8
69.07074	10.4
70.04070	2.3
70.76188	2.1
71.04997	3.1
71.08640	1.5
73.20859	1.0
77.29048	0.9
79.05499	48.1
81.03411	3.3
81.07062	20.7
83.04979	3.5
83.08618	12.4
85.06557	1.3
91.05486	23.9
93.07053	25.5
95.04956	7.8
95.08613	17.9
96.89675	0.9
97.06560	4.7
97.10178	14.0
98.19831	1.2
98.70165	1.3
99.08138	0.9
105.04555	1.5
105.07035	11.0
107.04964	100.0
107.08603	20.4
109.06532	3.3
109.10169	20.2
111.04451	1.1
111.08081	2.5
115.05468	1.9
117.07018	10.0
119.08587	24.6
121.06496	1.9
121.10172	10.1
123.04432	1.9
123.08068	3.7
123.11687	0.9
125.09627	10.5
129.07008	2.9
131.08568	7.0
133.06493	3.0
133.10139	5.3
135.08064	51.1
135.11725	2.7
137.09624	14.2
137.86617	0.9
141.09085	1.2
143.08560	1.8
145.10129	9.9
147.08047	9.5
147.11743	1.9
149.09642	6.5
149.13226	0.8
151.11148	1.4
153.09084	1.1
155.10684	9.0
157.10103	3.9
159.08025	1.3
159.10339	1.0
159.11708	2.8
161.09660	4.8
163.11200	2.1
165.09149	6.0
167.10692	0.9
171.10231	1.2
171.11664	2.5
173.11768	16.8
173.13184	1.9
175.11174	2.0
177.12914	1.2
183.10179	2.3
187.11292	1.5
189.11230	2.9
189.12758	1.1
193.12222	1.8
195.13638	1.1
227.17812	2.0
231.17455	1.0
237.16266	1.5
245.19054	2.3
249.18591	2.0
255.17502	2.9
263.20068	2.8
273.15521	1.4
273.18503	24.8
291.19543	38.6
309.15289	1.3
309.20575	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	309.2061
Annotation	12,13-trans-Epoxy-9-oxo-10E,15Z-octadecadienoic acid
Peak:m/z	Relative Intensity
53.03940	8.3
55.01880	10.4
55.05511	18.5
56.72477	1.6
57.03442	10.0
57.07066	2.1
57.12670	1.6
65.03938	2.6
67.05509	39.6
69.03422	3.0
69.07061	11.5
69.84374	5.4
69.84789	3.1
71.04984	5.7
71.08615	4.5
79.05069	3.4
79.05500	44.1
81.03426	15.8
81.07061	100.0
83.05008	9.8
83.08629	6.6
85.06539	4.9
91.05482	29.6
93.07047	32.3
95.04976	41.3
95.08612	23.0
97.06535	8.5
97.10179	3.9
99.08132	3.5
103.05458	2.1
105.07034	24.9
107.04952	19.4
107.08605	20.3
109.06525	82.4
109.07278	4.1
109.10149	6.4
111.04456	8.1
111.08081	5.5
112.56570	1.9
113.06026	8.4
115.05460	2.7
117.07002	12.6
119.04949	2.5
119.08591	17.2
121.06500	9.2
121.10150	10.6
123.04379	2.3
123.08086	9.7
123.11746	2.2
125.09660	4.2
129.06998	6.9
131.08592	18.0
133.06523	4.1
133.10135	8.8
135.08084	23.4
135.11659	10.7
137.09647	4.8
143.08557	8.6
145.06490	4.8
145.10149	13.9
147.08052	7.6
147.11693	5.4
149.09644	6.7
149.13243	2.5
151.11142	2.3
153.12752	2.0
155.08617	2.4
157.10144	4.4
159.08057	3.5
159.11711	6.9
161.09613	9.2
161.13361	1.7
163.11195	7.4
165.09128	5.6
167.10706	1.9
169.10190	1.9
171.11655	3.9
173.09587	3.3
173.13358	2.1
175.11188	2.6
177.12808	3.1
179.10629	3.0
181.12218	3.6
185.13351	4.0
187.11211	2.9
189.11206	2.2
191.10695	4.0
193.12239	6.0
195.13853	3.2
217.15903	8.4
223.13231	2.9
249.14961	2.5
255.17497	4.6
263.19922	3.5
269.95642	1.8
273.18491	29.6
286.10611	3.0
291.19562	84.9
294.83191	1.7
309.20599	19.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2061
Annotation	Soraphen O
Peak:m/z	Relative Intensity
55.01862	5.8
55.05501	7.4
57.03439	33.9
57.07079	2.3
57.38600	1.5
66.05488	1.6
67.05178	2.4
67.05505	30.2
69.07060	4.5
70.77607	4.5
71.04994	3.9
72.32854	1.7
76.00124	1.4
79.05497	14.4
79.05920	2.5
81.07059	19.3
83.04991	4.3
83.08614	2.5
85.02897	2.1
85.06077	2.6
85.06552	30.9
85.54978	1.5
87.37195	1.5
91.05487	11.3
93.07046	15.9
95.04968	38.4
95.08603	8.3
97.10152	2.2
105.07019	7.2
107.04946	4.1
107.08588	8.4
109.05806	2.5
109.06523	37.4
109.10175	2.2
111.04453	5.4
113.06005	100.0
117.07027	6.1
118.77675	1.6
119.08597	7.3
121.06466	3.0
121.10118	3.3
123.08051	3.2
128.06210	2.1
131.08556	7.5
133.10141	3.7
135.08057	32.4
135.11679	3.9
143.08566	3.1
145.10123	6.2
147.08046	2.9
147.11589	2.6
149.09615	5.2
155.19550	1.8
157.10123	4.1
159.11720	3.9
161.09625	3.5
163.11176	3.1
165.09076	2.2
165.12376	1.5
171.11749	2.9
173.09380	1.5
175.11214	2.4
177.12686	2.4
183.11687	2.0
191.10664	2.5
196.65213	1.7
217.15865	11.7
219.13837	2.0
255.17538	2.5
273.18542	18.0
291.19559	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	309.206
Annotation	12,13-trans-Epoxy-9-oxo-10E,15Z-octadecadienoic acid
Peak:m/z	Relative Intensity
50.84364	2.6
52.12470	2.5
53.03917	2.3
55.01876	29.1
55.05510	19.3
57.03427	11.6
58.55231	2.0
65.03946	4.0
67.05506	32.1
69.03420	3.3
69.07069	19.0
70.91293	6.2
71.04990	9.5
75.76128	2.1
78.94193	2.2
79.05493	20.8
81.03421	12.0
81.07064	25.9
83.04988	43.0
83.08614	5.9
85.02892	4.6
85.06528	10.7
91.05470	23.7
93.03432	2.6
93.07046	43.2
95.04955	14.1
95.08609	34.1
97.02881	8.7
97.06548	11.7
97.10197	2.6
99.04461	38.2
99.08048	3.7
105.07043	15.4
107.04960	13.1
107.08577	21.6
109.06506	15.6
109.10143	4.8
111.04446	100.0
111.05222	4.8
111.08051	5.0
111.98416	2.1
113.06016	33.2
117.06992	5.9
119.08593	15.6
121.06479	5.1
121.10131	9.9
123.04415	3.2
123.08083	17.0
125.09637	11.1
129.06984	3.5
131.08549	6.3
133.06480	3.1
133.10129	18.5
135.08080	12.2
137.06015	13.3
137.09581	6.1
137.84912	2.4
143.08563	3.3
143.27490	2.2
145.10112	4.7
147.08046	4.5
147.11687	14.5
149.09622	12.7
151.11246	3.0
153.09114	22.7
157.10139	6.1
161.09613	8.3
165.12767	11.7
175.11177	48.2
177.90358	2.4
179.10677	5.1
193.12244	49.5
203.10742	12.5
211.13222	3.3
217.12341	3.1
217.15913	2.7
221.11710	30.3
227.17848	2.7
235.13266	5.4
245.19058	5.8
249.18456	6.3
255.17255	2.7
258.44919	2.2
273.18484	17.6
291.19550	79.5
309.20630	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	309.2061
Annotation	12,13-trans-Epoxy-9-oxo-10E,15Z-octadecadienoic acid
Peak:m/z	Relative Intensity
53.03944	7.0
55.01865	14.4
55.05518	38.6
56.96558	7.9
57.03443	31.5
58.80043	2.9
59.04993	13.8
59.05254	3.1
59.46826	3.0
65.03937	3.5
67.05508	77.3
69.03441	17.4
69.07077	32.0
69.75675	6.3
69.76079	10.1
71.05002	15.8
79.05499	82.3
81.03418	13.5
81.07061	92.1
83.04971	13.5
83.08621	20.2
85.06536	10.1
87.04469	3.2
91.05482	57.8
93.06487	5.2
93.07047	72.3
95.04961	32.7
95.08062	4.9
95.08614	58.9
97.02881	5.0
97.06530	35.6
97.10188	14.8
98.20793	4.1
99.04456	3.9
99.08102	11.3
105.07045	42.6
107.04971	29.1
107.08598	52.4
109.06534	39.7
109.10168	45.9
111.04468	15.9
111.08073	5.5
113.06000	5.4
115.05435	4.8
115.07593	3.4
117.07036	23.9
119.04909	4.2
119.08600	40.6
121.06501	12.9
121.10143	41.4
123.04429	4.8
123.08051	20.0
123.11705	3.5
125.09620	10.7
127.07562	3.3
129.07004	14.4
131.08568	37.2
133.06462	6.8
133.10155	29.8
135.08063	26.1
135.11682	11.6
137.09627	29.6
139.07590	3.3
139.11217	5.4
142.07709	3.4
143.08517	10.8
145.10139	29.9
147.08022	15.8
147.11684	14.0
149.09592	15.3
149.13280	8.6
151.11136	6.3
153.09099	4.7
155.08530	4.7
155.10658	5.8
157.10165	15.7
159.08055	5.0
159.11674	13.0
161.09605	10.3
163.11183	9.0
165.09111	7.8
169.10118	5.2
170.95599	3.0
171.11688	10.4
173.09650	4.1
173.11726	20.3
173.13310	9.6
175.11154	12.4
177.12778	3.8
177.93871	3.3
179.14340	3.3
183.11684	5.5
185.13278	5.2
189.11218	8.9
189.12785	5.8
193.12183	6.4
197.13254	7.8
199.14801	7.0
215.14401	4.0
217.15895	16.3
219.13675	4.6
227.17812	4.3
233.15346	19.3
235.16812	4.1
237.16405	5.4
245.19020	11.7
251.16484	7.4
255.17427	9.0
263.20096	15.5
273.18533	54.7
286.10510	6.4
291.19531	100.0
309.20468	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	309.206
Annotation	Corchorifatty acid B
Peak:m/z	Relative Intensity
53.03941	2.0
55.01876	26.9
55.05513	11.6
57.03434	5.3
58.95209	0.8
59.05000	0.9
62.87546	0.8
65.03925	1.5
67.05508	25.2
69.03426	1.5
69.07074	9.3
70.77111	1.0
70.77430	1.4
71.05006	4.1
71.86877	0.9
79.05499	13.9
81.03427	9.4
81.07053	14.0
83.04988	28.4
83.08608	3.2
85.02878	0.9
85.06535	1.7
91.05491	11.3
93.03415	1.4
93.07047	13.9
95.04970	9.8
95.08613	13.2
97.06536	19.8
97.10162	4.2
99.04455	18.8
99.08099	2.6
105.04557	0.8
105.07041	9.7
107.04961	8.4
107.08617	10.1
109.06515	6.2
109.10151	9.0
111.04447	100.0
111.08092	3.1
117.07001	4.5
119.08587	6.2
121.06509	2.7
121.10171	5.5
123.04471	1.2
123.08081	5.9
123.11684	0.9
125.09657	3.8
129.06998	2.8
131.08589	5.4
133.06447	1.4
133.10164	6.9
135.08064	7.1
135.11696	2.9
137.09639	7.6
139.05530	0.9
140.44055	0.8
141.06940	1.3
143.08525	2.9
145.06493	1.1
145.10129	3.5
147.08040	2.5
147.11699	2.5
149.09612	6.8
149.13232	0.8
151.11189	1.3
153.09105	23.7
155.10628	2.2
157.10133	2.2
159.11722	2.4
161.09616	8.7
163.11198	2.5
165.12730	1.6
167.20978	0.8
171.11687	1.4
173.11745	1.6
173.13240	0.8
175.11226	3.7
177.12772	2.3
179.10721	2.3
185.13271	1.5
189.11220	1.2
189.12743	2.5
193.12234	5.0
199.14848	1.5
217.15897	2.3
221.11726	1.6
221.15485	1.5
223.13329	0.8
227.18022	1.4
233.15434	1.3
235.13254	1.0
245.19014	1.7
249.14851	3.2
251.16426	1.0
255.17493	2.4
263.20096	6.2
267.15979	1.9
273.18500	15.8
281.43887	0.9
291.19547	37.7
309.20584	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	309.097
Annotation	Unknow
Peak:m/z	Relative Intensity
51.56907	0.3
53.03932	0.3
55.01876	0.9
55.05517	1.9
56.96570	0.9
57.03437	1.0
57.07076	0.5
59.04994	0.8
60.95870	0.4
67.05502	2.9
67.33633	0.3
69.03430	2.9
69.07063	2.5
69.32642	0.7
69.33039	2.4
71.04995	1.0
71.08642	0.5
71.53264	0.3
72.37698	0.3
79.05489	2.3
81.03413	0.6
81.07057	5.2
82.78412	0.3
83.04971	0.7
83.08611	1.3
85.02922	0.9
85.06555	0.5
89.03905	4.1
89.47455	0.3
91.05475	3.3
93.07049	4.1
95.04957	1.3
95.08608	5.7
97.02892	26.4
97.06535	1.2
97.10185	0.9
98.97603	2.5
98.98463	1.5
99.08102	0.7
103.05461	0.6
105.07038	2.3
107.04913	0.5
107.08587	3.9
109.06525	1.1
109.10149	3.2
110.97531	0.4
111.04461	0.7
111.08078	1.3
111.11691	0.4
115.05421	0.4
116.98666	0.7
117.03378	17.3
117.07032	0.9
119.04939	1.0
119.08562	2.5
121.02895	0.4
121.06511	0.5
121.10147	1.4
123.08079	0.7
123.11700	1.5
125.09620	0.8
128.06244	0.5
129.07037	0.7
131.08577	0.9
133.10127	0.9
134.03610	1.3
134.09641	0.4
135.04396	0.9
135.08067	1.1
135.11693	0.9
137.05969	1.1
137.09595	1.5
137.13223	0.8
139.11166	0.8
143.08640	0.4
145.02846	49.8
145.10133	1.0
145.27008	0.4
147.04404	3.4
147.08002	0.5
147.11719	0.7
149.05981	6.1
149.09628	0.5
149.13239	0.5
151.03955	0.6
151.11218	0.7
153.12697	0.4
155.10677	0.4
157.06474	0.4
157.10115	0.6
158.99654	1.0
159.11699	0.6
161.09589	0.9
161.13182	0.5
163.03944	1.0
165.12715	0.5
169.10220	0.4
177.05464	100.0
179.08771	0.3
185.13274	0.5
186.05508	1.5
189.09019	0.4
191.14471	0.3
195.06554	2.0
199.07542	0.5
203.10422	0.4
217.08543	0.6
222.06734	0.4
227.06966	0.5
237.16307	0.4
245.08112	0.7
254.11656	1.4
254.61888	0.3
259.09680	0.4
265.08487	1.4
273.07626	3.0
273.18417	1.1
273.25519	0.4
274.63159	0.4
277.08514	0.7
291.08670	3.5
291.19598	2.3
291.26834	0.4
309.09488	4.4
309.17401	0.4
309.20676	2.3
309.27988	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.097
Annotation	Unknow
Peak:m/z	Relative Intensity
51.73257	0.7
53.03948	1.2
55.01857	3.0
55.05269	1.1
55.05513	14.8
56.96560	1.3
57.03440	3.8
57.07077	8.9
59.05005	4.1
65.03936	1.3
67.05508	16.8
69.03429	6.6
69.07069	31.6
70.64332	2.0
71.05000	3.3
71.08631	3.9
72.08154	1.8
73.06554	1.5
78.13164	0.6
79.05496	10.2
81.03409	2.4
81.07057	39.0
83.04969	2.8
83.08618	14.6
84.08133	2.0
85.02913	2.2
85.06549	8.4
89.03913	6.1
91.05479	6.8
93.07043	14.8
95.04981	4.2
95.08608	36.1
97.02895	67.1
97.06523	5.8
97.10175	6.3
98.97588	2.5
98.98469	10.6
99.04463	0.7
99.08101	9.1
103.05441	0.8
105.07040	8.5
107.04952	1.7
107.08598	16.0
109.06505	2.6
109.10162	18.6
111.04420	1.1
111.08082	20.7
111.11699	3.7
113.05996	0.7
113.09629	1.1
115.07564	0.8
116.98628	0.7
117.03384	20.7
117.07012	1.4
117.09131	0.9
119.04939	2.7
119.08588	5.7
121.02761	0.9
121.06510	1.6
121.10131	8.3
123.08064	1.3
123.11714	15.6
125.09624	4.4
125.13235	1.7
127.07557	3.1
129.07056	0.9
131.08546	2.3
133.10121	3.5
134.03592	1.3
135.04430	1.5
135.08029	1.7
135.11696	7.3
137.09662	1.2
137.13252	6.2
139.11215	3.2
141.12856	0.9
143.08575	1.0
145.02844	57.2
145.10126	2.7
147.04413	8.9
147.08064	1.1
147.11688	3.9
149.05991	7.1
149.09636	1.0
149.13277	8.0
151.11160	2.0
151.14828	2.2
153.12801	4.5
157.10121	1.0
158.99655	0.9
159.11693	0.8
161.09666	1.1
161.13248	2.6
163.03931	1.9
163.11198	0.8
163.14836	4.3
165.12782	3.7
165.16402	1.2
167.03455	2.3
167.14337	1.9
171.11687	1.1
174.99248	1.5
175.14798	1.0
177.05472	100.0
177.16379	2.4
179.14337	1.5
181.15894	0.7
182.15410	2.4
185.13252	0.6
186.05579	1.1
189.09010	0.9
191.03416	1.2
191.17981	1.8
193.15733	0.7
195.06412	1.8
195.17656	0.8
199.07439	0.8
199.14781	0.8
205.19479	1.1
209.19130	0.7
217.15837	0.8
217.19452	1.0
219.13675	0.9
221.19006	0.7
227.06990	1.1
233.08049	1.6
245.08128	1.4
259.09686	1.6
263.20987	0.9
267.14200	0.7
273.07550	1.8
273.18484	3.6
273.25696	3.9
273.47510	0.6
277.19138	1.8
279.27008	0.8
291.08633	3.5
291.19589	5.9
291.26782	16.7
309.07068	1.8
309.10205	4.1
309.14438	0.9
309.17630	1.2
309.21036	2.8
309.27875	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	309.0969
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	1.2
55.01876	2.3
55.05511	8.7
56.96561	2.1
57.03436	3.4
57.07076	1.6
59.05004	1.4
60.95871	1.2
65.03939	1.3
67.05512	11.0
69.03435	4.5
69.07072	6.6
71.04994	2.4
71.08630	1.2
71.52793	1.2
79.05494	11.0
81.03428	2.3
81.07060	16.6
83.04989	3.1
83.08612	4.2
85.02895	1.0
85.06580	2.0
89.03908	4.6
91.05493	9.9
93.07053	15.5
95.04964	4.5
95.08611	18.8
97.02895	61.4
97.06509	4.7
97.10163	5.2
98.97600	2.8
99.04462	2.5
99.08104	1.9
103.05474	1.0
105.03358	1.1
105.07036	8.1
107.04958	2.2
107.08604	10.4
109.06507	4.4
109.10149	7.5
111.04477	0.8
111.08089	2.8
112.99105	0.9
113.06029	1.4
113.09598	0.9
115.05425	0.9
116.98612	0.9
117.03387	19.9
117.07025	3.4
119.04940	1.5
119.08584	11.8
121.06518	3.1
121.10152	6.4
123.04439	1.3
123.08073	3.9
123.11692	1.9
125.09648	3.9
126.09166	2.5
128.06291	1.0
129.07034	2.9
131.00198	0.9
131.08618	4.6
133.06448	0.8
133.10135	4.1
134.03601	0.8
135.04462	1.7
135.08058	3.5
135.11705	1.9
137.05916	0.9
137.09616	7.3
139.11224	1.1
143.08546	2.6
145.02850	53.4
145.06480	1.1
145.10114	6.3
147.04459	3.9
147.08069	4.2
147.11700	3.1
149.05962	8.5
149.09624	2.3
153.09093	1.1
155.05696	1.0
155.10713	2.2
157.10164	3.0
158.99596	0.8
159.08183	0.9
159.11638	1.7
161.09648	2.5
161.13240	1.4
163.03952	2.5
163.11238	1.2
164.20183	0.9
165.09114	2.0
167.03435	1.7
167.10704	0.8
169.10172	0.9
171.11751	2.3
173.13396	1.0
175.11201	1.6
177.05478	100.0
178.05933	0.9
185.13310	0.9
186.05482	1.7
189.11235	2.7
189.12686	2.0
195.06538	2.1
199.11261	1.0
217.12257	1.8
223.13327	1.9
245.08095	2.1
255.17516	2.2
259.09674	1.0
273.07605	1.6
273.18494	9.7
281.11819	1.4
291.08627	3.8
291.16592	0.8
291.19489	18.5
291.22446	1.1
291.26666	1.0
309.09821	4.9
309.17154	5.7
309.20444	18.6
309.27930	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	308.1857
Annotation	CHEMBL482708
Peak:m/z	Relative Intensity
55.05512	4.0
56.96558	2.3
57.03430	2.3
66.42554	0.8
66.75539	0.6
67.05519	1.7
68.05025	2.2
69.07065	2.3
69.91612	2.7
70.06566	0.9
71.01347	0.8
79.05505	4.9
80.05024	6.6
81.07075	4.0
84.04507	6.8
85.02908	42.8
91.05473	4.6
93.05788	3.4
93.07050	10.9
94.06579	1.6
95.08604	2.1
98.97614	0.9
102.05548	1.0
103.03930	1.8
105.07043	5.8
107.08598	6.9
108.08121	100.0
109.08906	8.3
110.09679	3.1
113.02409	1.7
114.05527	3.2
115.50874	0.9
119.08595	7.3
120.08115	1.1
121.02845	1.0
121.08862	1.0
121.10164	0.9
123.04418	2.3
123.11715	0.9
130.04982	1.3
131.03424	4.3
131.08612	0.8
133.10132	2.1
134.09656	3.0
135.04440	1.8
135.11655	3.6
140.10783	0.7
142.04932	0.9
145.02882	1.0
148.11177	4.0
160.06120	0.9
161.13257	2.7
162.12737	1.0
163.03886	4.0
176.14333	2.7
177.15163	1.1
178.15891	1.8
179.00160	1.8
191.03468	1.2
194.11829	4.1
195.12492	1.5
197.01212	1.8
210.07623	6.3
220.09628	0.9
234.03673	2.9
237.00690	0.9
238.10747	78.2
239.11371	2.5
240.12311	24.1
243.04097	1.2
255.04164	3.6
255.54446	1.4
264.04733	2.5
271.06009	1.7
308.18576	82.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.2631
Annotation	9-Hydroxygeranyllinalol
Peak:m/z	Relative Intensity
53.03946	3.6
55.01865	3.0
55.05510	21.4
56.96560	3.1
57.03440	4.1
57.07091	8.5
59.04995	6.3
65.03940	1.8
66.98099	1.4
67.05504	36.7
69.03433	10.9
69.07070	70.6
70.66885	4.7
70.89123	1.6
71.01344	6.3
71.04993	48.0
71.08611	3.0
73.06554	2.7
79.05495	28.8
81.03423	3.9
81.07059	100.0
83.04961	6.4
83.08630	23.0
84.81478	1.7
85.02903	2.6
85.06544	5.0
91.05476	16.2
93.07044	64.7
95.04967	11.6
95.08609	66.1
97.06554	13.2
97.10151	10.0
98.20796	1.5
98.97552	2.8
99.04450	3.5
99.08057	1.9
101.00870	4.2
105.07028	20.8
107.04950	5.5
107.08591	47.2
109.06517	12.9
109.10159	55.6
111.08097	4.2
111.11720	18.8
113.05975	2.0
117.07009	5.2
119.01934	10.1
119.08585	17.6
121.02826	2.0
121.06523	8.0
121.10146	53.9
123.08094	3.9
123.11716	19.8
125.05978	3.1
125.09644	4.3
125.13284	4.0
129.06985	2.1
131.01898	2.0
131.08546	6.2
133.10146	10.1
135.08072	5.7
135.11694	33.8
137.09619	7.2
137.13246	23.1
139.03923	1.9
139.11177	4.9
143.01891	6.1
143.08490	2.9
144.09293	1.9
145.10129	25.5
147.08014	2.1
147.11685	7.1
149.09641	2.8
149.13242	9.3
151.07527	3.4
151.11136	4.4
151.14839	3.9
153.12714	11.2
155.10699	3.8
155.14215	1.7
157.03467	2.0
159.08012	2.5
159.11725	5.9
161.02919	6.4
161.09625	1.7
161.13263	6.6
163.03925	5.1
163.11174	27.3
163.14822	6.4
165.12790	4.5
167.10693	2.2
168.99797	1.7
169.10124	2.6
171.11630	2.3
173.02696	1.5
173.09627	5.6
173.13258	2.5
175.04477	3.0
175.11198	1.8
175.14853	3.6
177.12787	2.3
177.16362	3.9
181.12247	23.1
187.00851	5.6
187.11201	4.2
187.14836	4.4
189.16431	2.2
191.17979	2.8
203.03918	3.3
209.91122	1.6
215.10689	1.8
215.17958	1.9
229.01981	2.0
247.24176	6.7
251.20035	2.0
261.18509	2.6
261.25677	2.9
271.16916	4.4
271.24271	7.8
289.17886	13.0
289.25183	10.8
307.09665	2.0
307.15472	4.0
307.19025	10.3
307.23709	1.9
307.26428	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	307.2631
Annotation	Crinitol
Peak:m/z	Relative Intensity
53.03943	1.5
55.01869	1.6
55.05513	14.0
55.14079	1.0
56.96566	7.3
57.03420	2.2
57.07086	5.3
59.04989	2.9
59.09924	1.1
64.89745	0.8
67.05175	1.2
67.05508	14.3
69.03413	3.0
69.07069	100.0
70.06577	2.6
71.05001	1.5
71.06909	1.3
71.08611	2.3
71.17068	2.3
72.08164	1.0
79.05502	11.7
81.07058	59.8
83.04960	4.0
83.08616	5.0
85.06528	3.7
91.05493	6.2
93.07046	29.8
95.04988	4.5
95.08610	25.3
97.06533	16.9
97.10178	4.8
98.97599	2.3
99.04427	1.4
99.08057	1.5
105.07028	11.7
107.08590	24.9
109.06538	4.8
109.10161	18.4
111.08086	11.8
111.11720	24.6
119.08588	6.0
121.06497	1.6
121.10143	13.9
123.08065	3.2
123.11700	20.8
124.99096	2.7
125.09642	2.9
127.11123	1.1
131.08559	3.7
133.10117	12.2
134.68306	0.9
135.08012	1.5
135.11705	6.9
137.09685	1.0
137.13240	3.4
139.03868	0.9
139.11179	27.1
143.00133	2.5
145.10109	4.0
147.11705	3.8
149.13290	6.3
151.11189	26.7
153.12753	1.0
159.11661	5.4
161.13245	3.5
162.72978	0.9
163.03925	5.5
163.14839	3.6
165.12756	5.5
167.03580	1.1
169.08521	1.0
169.12189	4.5
170.99644	2.2
173.02374	2.1
173.13275	1.7
175.14816	2.5
176.04185	1.5
177.16399	2.7
179.05923	1.1
187.11246	2.0
187.14810	2.6
189.00717	1.3
189.16391	2.8
191.17783	1.4
193.78485	1.0
195.43877	1.3
200.20190	1.0
201.16440	2.2
201.20491	2.9
203.17912	0.9
207.17511	1.3
213.00674	1.8
215.07001	4.2
215.17979	2.4
231.01746	3.5
236.05171	1.6
245.05608	2.9
245.22974	8.3
249.02840	4.4
259.09692	10.5
260.09940	1.9
267.03922	2.6
271.20493	2.1
271.24188	6.6
272.04645	1.4
277.25253	3.8
285.04834	1.2
289.18149	1.1
289.25284	12.8
307.16071	3.8
307.26447	52.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.2633
Annotation	Trixagodiol C
Peak:m/z	Relative Intensity
53.03930	4.0
54.40044	1.1
55.01855	2.9
55.05270	1.4
55.05514	20.1
56.96568	7.0
57.03419	2.9
57.07079	7.9
59.05002	3.1
65.03928	1.7
67.05183	1.8
67.05506	24.2
69.03427	5.9
69.07072	78.0
70.08310	3.0
71.05005	4.8
71.08607	2.9
78.96931	0.9
79.05066	1.5
79.05491	17.3
79.05923	1.8
81.03405	2.9
81.07060	100.0
83.04971	6.3
83.08622	14.9
85.06558	6.8
91.05483	13.6
93.07047	57.4
93.07605	0.9
95.04973	12.5
95.08611	46.1
97.02862	1.7
97.06541	19.1
97.10184	7.3
98.97556	1.3
99.04449	1.6
105.07039	23.2
107.04966	1.8
107.08597	43.7
109.06529	9.0
109.10167	29.2
109.10925	1.5
111.04441	1.2
111.08092	20.0
111.11723	17.1
113.05993	3.1
117.07028	1.6
119.04964	1.0
119.08580	10.2
121.06515	6.1
121.10144	22.4
123.08080	4.8
123.11716	32.5
124.99092	2.9
125.05933	1.4
125.09646	4.4
125.13272	1.1
131.08549	4.6
133.10143	20.0
135.08006	1.2
135.11702	11.9
137.06007	1.3
137.09593	2.0
137.13280	7.2
139.03873	1.1
139.11176	21.7
143.00136	3.3
143.08624	1.1
145.06476	1.2
145.10133	6.4
147.11725	6.5
149.09662	1.7
149.13266	11.9
151.11189	43.7
151.14740	1.2
153.12772	2.1
157.53812	1.0
159.08043	1.4
159.11685	4.6
161.09587	1.7
161.13290	5.7
163.03955	6.1
163.11192	3.0
163.14810	5.1
165.12814	7.8
167.03601	1.5
167.14256	2.2
169.12234	3.8
171.11670	1.2
173.02396	2.1
173.09644	1.2
173.13263	2.7
175.14801	4.2
176.04131	2.5
177.12766	1.2
177.16389	4.4
179.14296	1.5
179.17953	1.2
187.11188	2.4
187.14810	3.2
189.00677	1.7
189.16411	3.4
191.17961	2.9
193.19861	1.1
201.16330	2.1
203.17928	1.9
207.17490	2.4
213.00673	1.3
215.07040	4.2
215.18018	3.1
227.04698	1.2
231.01721	2.8
231.21233	1.3
245.05681	2.7
245.22638	1.5
249.02858	3.6
254.06364	1.3
259.09705	12.3
259.24249	1.1
260.09940	1.6
267.03934	2.4
271.16956	1.9
271.24185	8.3
272.04483	1.5
277.25269	3.9
285.04944	1.3
289.17987	3.5
289.25235	20.6
290.05551	2.0
307.09494	1.5
307.15826	3.9
307.19263	2.1
307.26318	51.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.2633
Annotation	9-Hydroxygeranyllinalol
Peak:m/z	Relative Intensity
50.39337	0.5
51.02396	0.6
53.03947	1.6
55.01868	1.1
55.05514	14.5
56.96570	4.8
57.02359	0.5
57.03444	0.9
57.07082	5.8
59.05008	1.5
65.03941	0.6
67.05508	13.8
69.03439	3.5
69.07070	100.0
69.69337	1.8
69.69747	0.9
70.29033	0.5
71.04996	2.7
71.08644	3.6
73.02923	1.2
79.05493	8.1
81.03432	1.4
81.07059	48.3
83.05003	2.6
83.08626	8.5
84.96029	0.6
85.02942	0.6
85.06547	3.8
91.05481	6.8
93.07047	21.1
95.04974	7.3
95.08611	38.7
97.02881	0.7
97.06537	10.7
97.10165	5.9
98.97602	2.0
99.04469	0.7
99.08105	0.8
101.06038	1.2
105.07043	16.0
107.04987	1.2
107.05727	0.5
107.08600	17.4
107.09310	1.1
109.06527	3.9
109.10164	18.8
111.04507	0.5
111.08081	4.2
111.11725	24.6
116.98631	0.6
117.07062	1.1
117.91833	0.4
119.08580	9.3
119.09464	0.5
121.06522	1.6
121.10143	19.7
123.04425	1.9
123.08070	2.3
123.11713	16.4
124.99138	2.1
125.09633	1.7
125.13280	1.0
127.07580	0.8
128.06299	0.7
129.07019	0.5
131.08562	2.2
133.10117	6.8
135.04477	1.1
135.08075	1.7
135.11713	5.8
137.02290	0.5
137.09641	1.6
137.13242	5.3
139.03908	0.7
139.11186	28.1
143.00188	2.0
143.08562	0.9
145.02858	0.7
145.10150	3.1
147.11697	9.4
149.09589	0.8
149.13275	6.3
151.07536	0.5
151.11186	11.3
151.14894	2.3
153.12769	2.4
159.08006	0.5
159.11722	2.4
161.01256	1.1
161.09569	0.6
161.13258	2.9
163.03917	4.5
163.11198	1.3
163.14801	3.0
165.12773	9.8
165.99428	0.5
167.03572	0.7
167.14383	1.2
169.01759	0.8
169.12318	0.9
169.15901	1.8
170.99710	1.2
173.02490	0.9
173.09581	0.5
173.13277	1.9
175.03798	0.6
175.07635	0.8
175.14815	2.5
176.04260	0.6
177.12796	1.0
177.16452	1.5
179.00145	0.6
179.14351	1.1
183.13754	0.7
185.01260	1.6
185.13213	0.5
187.01479	0.6
187.11006	0.5
187.14870	1.3
189.00714	0.6
189.16388	1.8
191.03491	0.8
195.08128	0.8
195.17386	0.6
197.01285	1.1
201.16490	0.9
203.03621	0.5
203.18016	1.6
207.17447	0.9
213.00742	0.9
215.07048	2.1
215.18011	2.0
220.09789	0.5
221.18936	0.5
227.02480	0.8
227.04652	1.0
231.01802	1.8
236.05177	1.7
241.08644	1.4
242.08896	0.6
245.05693	3.1
245.22696	1.5
245.55992	1.0
246.03671	0.9
249.02977	2.5
249.05211	0.5
254.06207	2.4
254.56479	0.9
255.04243	1.5
259.09689	5.3
260.10156	0.7
264.04614	2.7
267.03864	1.0
271.05948	0.5
271.24234	4.4
273.05148	2.5
277.25232	1.7
280.07455	0.5
284.55896	0.8
289.15085	0.7
289.18088	1.2
289.25253	11.6
290.05588	0.5
291.03787	0.9
307.09317	0.5
307.15921	1.3
307.26324	43.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.2269
Annotation	Methyl haplodesertoate
Peak:m/z	Relative Intensity
53.03940	4.1
55.01876	17.4
55.05264	2.9
55.05516	31.0
56.96592	2.2
57.03429	6.4
57.07080	2.5
59.04994	2.6
65.03945	3.9
67.05510	41.2
67.63761	1.4
68.05862	2.4
69.03436	3.4
69.07073	27.5
69.72038	9.2
70.07407	2.2
71.04994	6.0
79.05497	43.7
80.79702	1.5
81.03439	4.3
81.06589	2.8
81.07060	48.8
82.07381	2.7
83.04967	6.8
83.08622	16.6
85.06531	4.6
91.05489	27.7
93.07053	41.0
95.04980	13.3
95.08611	30.4
97.06537	22.7
97.10167	17.7
98.06051	11.7
98.21513	1.9
99.06393	3.6
105.07043	40.2
107.04962	11.0
107.08601	72.0
108.41255	1.7
109.06525	38.1
109.10156	15.7
111.04439	5.1
111.08070	4.6
117.07032	7.8
119.08603	22.1
121.06520	7.3
121.10138	18.9
122.69964	1.6
123.08083	6.9
123.11719	4.4
125.09620	20.6
131.08548	13.4
131.09232	1.3
133.10120	20.6
135.08049	7.4
135.11691	8.7
137.06004	6.5
137.09636	8.5
137.13187	2.4
138.06317	2.8
139.11160	1.8
143.08568	4.3
144.09320	1.8
145.10138	18.4
147.08041	2.2
147.11725	12.3
149.09641	15.3
149.13228	3.8
151.11143	4.8
153.09119	3.6
157.10159	4.4
157.25653	1.8
159.11716	10.2
161.13278	4.4
163.11188	9.3
165.09120	4.3
165.12769	8.6
171.11658	4.1
172.61279	1.5
173.13260	6.8
177.12769	4.3
183.11612	3.0
187.11249	3.3
187.14862	2.0
187.64238	1.6
191.14317	3.2
196.67628	1.9
197.13376	2.5
203.12782	18.0
219.17598	2.0
229.19495	4.4
233.15375	2.0
239.17973	4.6
247.20589	4.9
251.16449	7.2
257.19006	14.2
261.03223	1.9
275.20071	84.9
289.18124	3.7
289.21634	17.9
307.19122	2.9
307.22672	67.1
307.28253	100.0
315.67798	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.2267
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.5
55.01863	6.6
55.05512	16.5
57.02011	1.7
57.03432	3.6
67.05511	21.5
69.07065	33.0
71.04989	4.0
74.82763	1.4
79.05491	45.3
81.03417	3.9
81.07063	31.0
83.04964	3.7
83.08616	3.8
85.06548	2.6
91.05480	21.0
93.07049	39.6
95.04961	7.4
95.08611	26.6
95.32179	1.4
97.06564	7.4
97.10159	7.1
105.07037	23.7
107.04959	44.3
107.08585	24.8
109.06542	2.3
109.10124	7.4
111.08087	5.2
111.11694	2.8
115.07515	1.8
117.07021	5.5
119.08585	22.2
121.06489	2.9
121.10139	28.8
123.08077	2.7
123.11724	2.0
131.08534	11.4
133.10150	17.1
135.08057	31.7
135.11668	2.2
137.09584	8.5
139.11168	18.8
143.08546	1.8
145.10141	8.2
147.11670	9.9
149.09631	9.5
149.13234	2.7
151.11092	2.1
159.11696	7.4
161.13281	4.0
163.11168	3.5
163.14853	8.2
167.10725	3.9
169.10207	1.6
171.11693	2.3
171.13820	2.9
173.13216	3.9
179.10779	2.8
183.11676	3.9
183.13832	3.9
185.11775	1.7
191.14235	2.5
197.13232	2.5
217.14374	26.0
219.17526	2.0
229.19537	2.7
239.18044	2.7
247.20615	5.2
257.18988	6.8
275.20056	100.0
307.22778	11.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.2269
Annotation	Methyl haplodesertoate
Peak:m/z	Relative Intensity
53.03930	2.6
55.01638	1.1
55.01875	7.1
55.05516	15.3
56.96564	2.5
57.03437	4.4
57.07075	6.5
59.04998	0.8
65.03927	1.2
67.05509	24.9
69.03429	3.1
69.07070	15.1
69.65985	5.3
71.04987	3.5
71.08635	10.1
78.46736	0.8
79.05067	1.6
79.05497	20.6
81.03426	7.9
81.07063	30.7
83.04981	4.7
83.08605	5.4
85.02947	0.9
85.06555	5.3
89.61050	0.9
91.05488	19.8
93.07049	25.6
95.04977	21.5
95.08614	23.7
97.06532	8.1
97.10183	4.8
98.06042	0.9
98.97609	1.2
99.08101	7.0
105.07037	20.2
107.04937	3.4
107.08605	21.9
109.06519	42.4
109.10162	12.4
109.33572	0.8
111.08108	2.2
117.07027	4.8
119.07805	1.5
119.08582	17.6
121.06538	9.5
121.10143	10.2
123.04414	2.4
123.08060	7.3
123.11732	2.0
125.09634	3.2
128.06215	1.0
129.06999	1.2
131.08580	10.5
133.06531	1.4
133.10144	13.4
135.08075	6.6
135.11691	4.0
137.05980	3.7
137.09644	9.2
138.06342	2.3
139.11160	2.7
141.09091	1.7
143.08586	1.2
145.10133	9.1
147.08043	1.6
147.11688	7.3
149.09630	6.7
149.13304	2.5
151.11198	14.2
155.08485	1.3
157.10152	2.3
159.08098	1.4
159.11725	6.4
161.09619	1.7
161.13257	5.2
163.11177	7.2
163.14771	1.5
165.12759	83.5
167.10744	1.1
169.10130	1.3
171.11687	1.6
173.13245	5.8
175.11200	2.0
175.14821	2.5
177.12758	6.9
179.10739	2.3
179.14308	2.6
183.11771	1.1
185.13274	3.6
187.14769	1.4
189.12779	1.4
191.14319	2.4
193.12180	1.5
197.13208	1.2
201.12773	1.1
201.16393	0.9
203.12740	1.6
203.14415	2.0
219.17451	7.2
229.19554	2.7
233.15334	1.8
235.16957	2.0
239.17963	2.2
247.20580	3.4
251.16342	5.1
256.15738	1.1
257.18958	5.2
261.18509	1.3
261.22183	7.3
271.16931	1.8
271.20499	1.5
275.20074	27.8
283.67633	1.3
289.18118	4.8
289.21613	33.5
290.21936	0.9
307.22684	100.0
307.27805	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	307.1905
Annotation	Unknow
Peak:m/z	Relative Intensity
50.56957	0.9
53.03941	2.8
55.01878	7.2
55.05515	7.4
56.96306	1.1
56.96571	18.0
57.03194	1.1
57.03440	14.6
57.07066	1.3
61.06123	0.8
67.05170	1.3
67.05504	12.7
69.03423	2.4
69.07071	11.6
69.39649	7.1
71.04984	3.6
77.03952	1.2
79.05081	0.9
79.05499	11.7
80.57922	0.8
81.03423	37.4
81.07060	15.2
83.04968	5.0
83.08622	1.9
83.39351	1.0
85.02901	2.3
85.06550	5.2
89.03905	1.2
91.05486	15.1
93.07053	14.7
95.04376	1.7
95.04971	30.1
95.08598	11.3
97.02865	1.3
97.06538	18.0
97.10148	1.3
97.32404	1.0
98.06812	1.1
98.07345	1.4
98.21411	2.0
98.97563	1.9
99.04436	1.4
103.05452	1.4
105.04527	1.3
105.07036	9.8
107.04961	100.0
107.08596	5.4
109.06519	16.6
109.10155	3.6
111.04399	1.7
111.08088	2.3
113.06006	14.1
115.05443	1.3
117.03377	1.4
117.07044	6.1
117.19208	0.9
119.04954	1.5
119.08617	6.9
121.05666	1.8
121.06510	26.4
121.10129	2.7
123.04425	2.2
123.08068	6.1
123.11729	1.5
124.99119	12.8
125.09608	2.6
128.06224	1.3
129.07028	6.5
131.08580	6.9
133.06526	5.5
133.10100	5.0
134.03607	1.6
135.04385	3.3
135.08061	9.9
135.11693	1.2
137.09630	2.5
137.81447	1.0
139.03896	2.8
139.11140	0.9
141.06943	1.0
143.00172	13.8
143.08553	4.0
145.02846	3.2
145.06523	2.2
145.10161	5.2
147.08049	4.5
147.11684	3.0
149.05988	3.8
149.09656	1.9
151.07518	1.9
152.98624	1.4
153.09036	1.7
155.08537	2.7
157.10106	5.0
159.08086	4.4
159.11719	2.9
161.01233	6.0
161.09628	2.6
163.03920	20.9
163.07542	1.6
164.04247	1.9
165.09134	36.1
167.00192	1.7
167.03516	1.6
169.01729	1.9
169.10095	1.6
170.99658	3.8
171.08072	1.8
171.11682	6.7
173.02365	2.1
173.09615	4.2
173.13293	1.1
175.11215	9.0
176.04106	3.4
177.09041	1.6
185.01242	4.1
187.02757	1.3
187.11180	3.3
187.51907	1.6
189.00728	2.5
189.12749	5.4
190.52319	1.1
191.03539	1.1
191.10730	5.7
194.99779	1.1
199.11218	6.3
203.02377	2.2
205.12466	1.2
205.16020	1.2
213.00783	3.2
215.06996	4.2
215.10652	2.7
215.14294	2.2
217.04962	1.8
217.12239	11.2
218.99643	2.4
227.04639	4.0
231.01801	8.7
233.15385	10.9
235.13284	54.0
236.05179	5.2
236.55263	2.3
237.00813	5.3
241.08629	4.7
243.17400	1.8
245.05725	14.9
245.55855	3.9
249.02837	11.8
250.03180	1.2
253.16005	1.4
254.06226	17.0
254.56384	5.8
255.01682	1.6
256.56537	1.4
259.09628	19.1
260.09982	4.6
261.18436	2.5
263.06827	1.1
265.57114	3.2
266.07248	2.2
267.03958	6.6
271.16858	4.5
272.04456	3.2
277.07419	1.1
285.04956	2.5
289.15131	1.1
289.17990	26.8
290.05383	3.0
290.21124	1.1
301.10562	2.0
307.09827	1.2
307.15732	1.8
307.19055	6.4
309.67392	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1905
Annotation	Compactin diol lactone
Peak:m/z	Relative Intensity
53.03941	2.4
55.01881	10.3
55.05513	41.5
56.96567	2.5
57.03201	2.5
57.03440	35.0
60.13830	2.0
62.84311	1.6
65.03947	1.7
67.05176	2.9
67.05506	32.4
69.03425	3.3
69.07066	10.4
70.09904	8.6
79.05061	3.4
79.05495	36.9
81.03419	7.9
81.07057	26.7
83.04981	4.9
83.08619	12.6
91.05482	23.6
93.07045	23.0
95.04973	9.3
95.08605	8.7
97.06541	2.5
97.10179	22.4
99.08058	2.4
105.07038	16.8
107.04965	18.6
107.08604	18.1
109.06549	11.2
109.10180	12.6
111.04399	2.9
115.05460	2.5
117.07002	10.9
119.04972	1.9
119.08575	17.3
121.06493	15.5
121.10133	5.0
123.04389	2.2
123.08057	6.3
125.09631	24.4
128.06256	2.6
129.07005	4.5
131.04898	3.2
131.08551	12.6
133.06503	4.0
133.10094	5.7
135.08061	18.7
137.09595	5.2
139.18678	1.7
141.07022	2.5
143.08575	4.2
145.06494	5.8
145.10127	7.4
147.08025	9.8
147.11687	3.3
149.06006	9.9
149.09633	3.2
153.09099	7.6
153.46690	1.8
155.08591	3.5
157.10143	6.8
159.08057	45.3
159.11699	3.0
160.08820	3.7
161.09636	6.2
163.07515	7.7
163.11223	2.0
169.10175	4.4
171.10272	3.9
171.11699	5.0
173.09654	4.0
173.13261	2.7
175.11172	2.7
177.09119	4.4
184.07216	2.0
185.09619	4.4
187.11349	3.3
187.14784	5.6
189.11227	9.0
193.10037	2.7
193.12141	3.1
197.13275	4.9
199.11188	3.2
211.14903	3.1
215.14302	8.8
223.14861	2.0
225.16315	2.8
233.15343	14.2
243.17468	5.2
253.15886	8.0
261.18405	4.1
271.16913	31.9
289.17978	100.0
307.15942	2.2
307.19321	8.5
312.11169	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1904
Annotation	Compactin diol lactone
Peak:m/z	Relative Intensity
53.03934	5.5
55.01875	13.8
55.05512	42.7
56.96558	3.5
57.03437	23.4
57.07073	1.9
59.05005	2.7
63.89719	1.2
65.03933	3.0
67.05508	36.5
69.03423	5.0
69.07062	13.4
71.04987	8.3
71.53037	2.1
75.37421	1.3
79.04798	1.4
79.05501	35.7
81.03414	4.3
81.07059	26.7
83.01313	2.0
83.04958	7.4
83.08624	19.5
85.06540	4.9
91.05477	28.3
93.07044	20.6
95.04967	21.4
95.08614	15.3
97.06539	9.6
97.10168	28.4
99.04482	2.1
99.08076	1.8
103.05475	1.4
105.07045	17.2
107.04955	27.7
107.08606	26.0
109.02895	2.3
109.06512	20.9
109.10172	9.2
111.04447	1.5
111.08054	3.6
113.06001	4.5
115.05424	2.1
117.07043	14.2
119.08589	17.3
121.02871	4.9
121.06509	46.9
121.10155	5.3
123.04426	5.5
123.08099	9.7
123.11691	2.6
125.05957	1.5
125.09629	22.1
128.06303	2.2
129.06969	5.9
131.08556	9.9
133.06493	4.6
133.10158	9.4
135.08064	23.1
135.11710	2.7
137.05965	2.5
137.09612	8.9
141.06960	2.7
143.08574	3.5
144.05614	2.0
145.06468	3.9
145.10123	7.3
147.04413	1.3
147.08040	9.4
147.11699	3.8
149.06007	2.6
149.09637	2.9
151.07539	3.6
151.11147	1.7
153.09120	3.0
155.08560	3.3
157.06422	1.8
157.10156	3.9
159.08058	87.9
159.11711	5.4
161.09601	6.7
163.07550	36.9
163.11206	4.6
165.09117	3.5
165.12747	2.2
169.10182	2.9
171.10297	2.3
171.11665	2.9
173.09627	6.7
173.11789	2.7
173.13289	3.9
175.11156	3.1
177.09163	6.3
179.10588	1.7
183.11766	3.4
185.09592	10.9
187.11189	2.3
187.14813	1.3
189.11246	11.1
189.12753	2.0
191.10623	2.0
191.14381	1.7
193.12236	3.1
197.09706	2.9
197.13190	1.5
199.11198	4.2
201.12720	2.5
205.12265	1.6
211.11189	3.3
213.05490	1.5
215.14386	5.1
219.13780	13.2
225.16417	2.6
233.15381	9.7
237.14842	4.3
243.17413	7.3
253.15895	23.1
259.09604	1.5
261.18506	6.7
271.16959	26.9
275.19989	5.3
289.17984	100.0
307.09601	3.9
307.15536	3.2
307.19064	50.3
307.22662	7.0
307.26135	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1905
Annotation	Compactin diol lactone
Peak:m/z	Relative Intensity
53.03944	7.6
55.01880	13.7
55.05516	35.7
57.03442	89.6
57.07077	4.1
59.07288	3.0
67.05506	49.4
69.07064	13.5
71.04995	6.7
73.06552	4.3
79.05493	34.6
81.03407	4.7
81.07057	45.4
83.04987	72.1
83.08633	12.0
85.06551	6.1
91.05492	49.5
93.03390	3.0
93.07051	44.2
95.04952	13.4
95.08617	33.6
97.06527	9.1
97.10184	5.0
98.20631	6.3
99.04466	8.2
103.05477	4.4
105.07042	42.2
107.04961	87.6
107.08597	26.2
108.05782	3.4
109.06531	25.3
109.10160	12.0
111.04443	47.7
111.08043	4.0
113.06045	5.4
115.05503	2.6
117.07014	20.1
119.08596	26.5
121.06506	13.5
121.10128	9.4
123.08058	11.8
125.05982	8.8
125.09633	4.3
129.07031	10.4
131.08583	25.1
133.06532	16.0
133.10138	16.5
135.08078	22.7
135.11708	7.2
137.05981	22.5
137.09663	6.2
138.06300	12.1
141.06973	4.6
143.08588	7.9
144.05693	2.8
145.06508	10.9
145.10170	17.1
145.11179	2.7
147.07994	17.0
147.11685	9.8
149.05977	12.3
149.09575	3.9
149.13281	5.4
151.07491	4.9
151.11201	6.0
155.08557	8.7
157.10039	7.5
159.08031	15.5
159.11723	12.1
161.09639	12.3
161.13306	5.2
163.07588	11.2
163.11189	11.9
169.10144	7.6
171.11690	9.3
173.09668	8.6
175.11252	5.8
177.09132	7.1
177.12730	20.7
178.13498	5.6
183.11711	3.8
185.13382	3.7
187.11130	4.9
187.14836	10.1
189.12761	6.3
197.13213	2.8
199.11150	3.2
201.09175	3.4
205.15894	17.1
215.14406	13.5
215.17844	3.9
217.12350	5.4
225.16446	5.2
233.15376	45.5
243.17505	19.0
243.35657	2.8
253.15855	7.0
261.18488	39.5
271.16922	31.4
275.20087	4.0
289.17999	100.0
290.21606	3.1
307.14987	7.6
307.18912	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1685
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05043	2.0
56.09695	0.5
58.06606	4.6
58.64506	0.4
65.87677	0.4
68.05054	0.5
69.03423	0.5
70.06585	0.5
70.68462	0.5
70.68803	0.9
74.02419	0.5
84.03989	0.6
84.04508	22.2
84.08144	100.0
86.06070	6.0
86.09705	6.1
88.03996	1.3
96.04523	0.6
102.09176	0.5
119.04959	0.6
123.04394	0.9
130.06532	1.0
130.08670	1.7
132.95798	0.5
135.04384	0.6
139.03915	4.1
140.03455	0.5
141.13864	6.4
147.04404	1.7
158.06059	1.2
163.03926	1.6
169.13379	9.4
175.08708	0.6
179.03456	0.5
182.65819	0.5
198.11311	2.1
215.11714	0.7
215.12311	0.6
215.13911	39.1
243.17049	53.8
261.08728	0.6
262.11139	4.1
307.16843	26.5
308.17053	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1654
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.0
67.05497	0.7
69.44170	1.1
69.44595	1.9
69.66922	0.5
79.05478	0.6
81.03436	0.6
81.07044	1.3
91.05488	1.2
93.07034	1.7
95.08583	0.6
97.15546	0.4
98.21457	1.0
102.30001	0.4
106.24109	0.4
108.08131	0.5
122.06024	2.8
123.06841	1.1
124.07589	7.1
126.05515	0.5
126.09174	5.2
136.07579	57.0
138.09142	53.5
140.07069	1.3
152.07060	14.8
152.08286	0.8
163.03896	0.6
163.11040	0.4
164.07069	100.0
170.08141	5.1
173.96643	0.4
182.08133	23.2
289.15393	5.3
305.55484	0.5
307.16348	3.2
307.26529	0.6
313.93588	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1653
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03590	0.4
51.23077	0.4
53.03956	0.6
54.04062	0.4
55.01885	0.4
55.05518	0.7
56.96575	1.0
57.03438	0.5
67.05514	0.7
69.03439	0.9
69.31036	3.3
70.35079	0.4
71.66537	0.4
72.04525	1.0
79.05493	1.1
81.03429	1.0
81.07067	1.9
84.04538	0.4
85.02885	0.4
91.05489	1.7
93.07057	1.8
94.06538	1.9
95.04986	0.7
95.08625	0.8
96.08126	1.0
97.02905	0.4
98.20789	0.9
101.93327	0.4
103.75482	0.4
105.07013	0.8
106.06545	0.5
107.04963	0.6
107.08590	0.6
108.08135	1.0
109.02927	0.7
109.06532	0.6
109.10119	0.6
111.08092	0.5
118.06548	0.4
119.08606	0.9
120.08076	0.7
121.06555	0.5
121.10160	0.9
122.06040	2.5
123.06789	1.3
124.07603	10.5
126.09161	5.8
129.06989	0.5
130.04970	0.4
131.05254	0.5
134.09654	0.5
135.04402	0.7
136.07584	57.5
137.05856	0.5
137.07947	0.5
138.09145	56.4
139.09477	0.4
140.07054	1.6
143.00122	0.5
147.06734	0.5
150.05516	1.1
150.09163	1.3
152.07072	19.1
152.50745	0.4
163.03955	2.8
164.07072	100.0
165.07417	0.7
166.08685	0.6
170.08131	6.2
176.14366	0.9
177.14655	1.1
178.15103	1.0
182.08134	25.8
192.13939	0.7
221.12904	1.8
231.01834	0.5
241.08502	0.4
245.05745	0.5
248.09148	1.2
251.36415	0.4
265.11868	1.7
289.15417	5.8
307.08176	0.6
307.16489	12.6
307.19373	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1652
Annotation	Metacytofilin
Peak:m/z	Relative Intensity
55.01862	1.0
55.05501	0.7
56.05017	1.0
56.96551	1.5
57.03431	1.0
58.06591	0.8
65.03940	0.9
66.65163	0.5
67.05487	1.8
68.05026	0.5
69.03405	1.7
69.07069	0.7
70.02931	0.8
70.06592	3.5
71.31528	0.8
72.04520	4.5
72.08141	1.3
79.05495	5.0
81.03404	0.8
81.07034	1.8
82.06575	1.3
83.04964	0.8
84.04494	2.2
84.08144	6.6
85.02875	0.8
86.06033	0.7
86.09689	0.8
87.04473	0.6
87.05627	0.8
88.03977	0.9
89.03920	1.2
91.05475	4.9
93.07053	3.0
94.06553	1.4
95.08595	0.9
97.02875	0.9
98.06041	0.9
98.97595	0.7
102.05543	0.7
103.05460	0.6
105.03394	0.7
105.07037	2.5
107.04988	1.1
107.08598	2.2
108.08120	0.9
109.06554	0.7
109.08876	1.1
109.10167	0.6
110.06054	2.6
111.04411	1.6
114.05524	1.0
116.07040	0.6
117.03355	0.6
117.07022	1.8
119.04935	6.9
119.08570	5.9
121.06479	1.4
121.10130	1.0
122.05955	0.6
123.04382	1.3
126.09158	5.1
128.07040	0.9
129.07014	2.9
130.06525	6.6
130.08638	0.8
131.08549	1.7
132.04471	1.4
132.08118	0.9
133.02806	1.0
133.06467	1.1
133.10126	1.0
133.56502	0.6
134.06042	0.6
134.09683	1.6
135.04388	1.7
135.08029	1.6
136.07573	1.1
136.11285	1.3
137.02344	2.4
137.05937	1.0
139.03908	20.8
142.07719	0.6
143.08562	0.8
143.11810	3.9
144.08078	1.1
145.02867	0.7
145.06386	0.6
145.10136	1.3
146.05988	1.1
146.09663	1.5
147.04413	25.0
147.08043	2.1
147.11711	1.1
148.07526	0.5
148.11160	0.7
149.09583	0.6
151.03888	1.6
156.08104	0.6
157.07637	6.0
157.10118	2.1
158.04793	0.8
158.06010	6.1
158.09654	0.8
159.11647	0.6
160.07578	0.9
160.11223	0.5
161.09598	0.7
161.12828	2.1
162.09135	1.4
163.03897	6.1
172.11191	0.9
173.11995	0.6
174.09135	0.7
174.12767	2.4
175.08716	2.9
175.11212	2.1
176.10742	0.6
176.14369	2.3
179.03377	2.4
180.10172	0.5
184.11255	1.0
186.12781	2.1
190.12198	0.9
192.13829	5.7
198.12801	1.4
199.08653	0.7
200.14412	0.7
202.12253	2.0
203.08112	0.9
204.07300	0.7
204.10229	6.5
204.13840	30.4
215.13918	1.6
216.13896	1.2
218.15404	2.2
223.06004	0.8
228.13828	1.5
230.11742	3.7
237.00642	0.6
243.07640	0.7
243.17108	2.4
244.13396	5.7
245.16478	1.0
246.14835	0.8
248.12834	7.9
261.08649	2.4
261.13196	0.9
261.15964	6.7
262.14487	1.5
263.17545	10.0
271.10959	0.6
272.12711	1.3
289.07278	2.0
289.11847	1.6
289.15451	17.4
290.13843	19.0
307.16510	100.0
308.16992	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1653
Annotation	Antibiotic KO 7888B
Peak:m/z	Relative Intensity
52.61611	0.9
53.03945	1.2
53.07413	0.9
55.01857	3.4
55.05515	8.3
56.96563	12.2
57.03442	19.5
57.07059	2.6
67.05511	9.0
69.03418	2.9
69.07070	24.3
71.04990	1.8
79.05495	9.2
80.05028	2.1
81.03424	2.2
81.07053	14.4
82.06600	1.7
83.04974	4.0
83.08621	4.8
85.06548	1.2
87.05589	1.0
91.05493	6.6
93.07039	10.0
94.06580	6.5
95.04980	4.5
95.08611	13.5
96.08099	1.0
97.06531	13.1
97.10165	3.4
98.07335	2.2
98.97590	3.5
99.00818	2.6
105.07038	8.2
106.06563	2.7
107.04938	1.4
107.08595	11.0
108.08118	1.6
109.05266	1.3
109.06505	3.9
109.10172	8.8
111.08064	1.8
111.11711	1.8
115.05393	1.0
116.03437	1.7
117.05748	1.8
117.07017	2.4
118.06555	4.4
119.07278	1.6
119.08585	7.9
119.95370	0.9
120.04469	1.1
120.08110	5.6
121.06525	2.6
121.08863	2.2
121.10144	6.7
122.06022	1.1
122.09676	2.7
123.08100	2.0
123.11705	4.6
124.99117	10.6
125.13293	1.2
128.06206	1.5
129.07043	2.5
130.06516	1.7
131.07314	3.7
131.08580	3.5
132.08122	7.0
133.06505	1.1
133.08887	1.7
133.10136	3.3
134.03648	2.4
134.05988	3.3
134.09651	14.1
135.04411	3.2
135.08002	2.3
135.10394	1.3
135.11673	2.8
136.07593	1.4
136.11230	10.3
136.12202	1.4
137.05997	1.4
137.09642	1.6
137.13232	1.7
138.05521	2.6
138.09126	1.8
139.11113	1.8
142.07802	1.7
143.00166	14.9
143.08543	1.5
144.08069	3.2
145.02821	2.6
145.08838	3.1
145.10127	4.0
146.06024	6.6
146.09682	9.0
146.41730	1.0
147.06758	2.5
147.07951	1.5
147.09189	1.2
147.10431	1.5
147.11700	2.4
148.07570	4.1
148.11209	10.9
149.09656	2.3
149.13289	1.5
150.09172	7.2
151.11179	2.0
157.10069	1.4
158.09727	1.7
158.99722	1.2
159.06836	2.0
159.08093	2.5
159.10448	2.0
159.11697	3.1
160.07559	2.7
160.11218	7.7
161.01183	5.7
161.09663	1.4
161.13266	1.4
162.05501	2.8
162.09131	4.1
162.12798	3.4
163.03918	18.5
163.07648	1.0
163.09949	1.4
163.11200	1.9
164.03387	2.2
164.07091	1.0
164.10683	1.7
165.10281	1.4
168.44305	1.0
169.01750	1.4
170.09622	2.6
170.99785	2.0
171.10425	1.1
172.07625	8.8
172.11244	2.8
173.08253	2.2
173.09619	3.0
174.09157	4.3
174.12794	5.4
175.11205	1.9
175.14832	1.1
176.04152	3.0
176.07059	1.0
176.10690	4.1
178.08589	2.4
180.06564	2.0
181.12311	1.2
185.01244	3.7
186.12799	1.4
187.09900	2.9
187.11285	2.0
188.10707	33.5
189.00752	2.3
190.08636	4.5
190.12283	1.8
191.13019	4.9
192.06555	12.3
192.10240	5.7
192.13823	26.7
200.14413	2.4
202.08521	1.4
202.12270	23.1
203.02229	1.2
204.10417	1.1
204.13846	3.8
205.13330	1.5
206.11862	1.2
213.00748	2.1
215.10823	1.7
216.10222	5.5
216.13835	4.1
217.04959	4.0
218.08160	2.9
218.15404	2.3
218.99637	2.0
220.09679	8.1
221.13017	1.2
230.11769	2.1
231.01764	6.2
233.12854	8.4
234.11285	14.4
235.99876	1.2
236.05263	7.2
236.09151	9.1
236.55409	2.2
237.00743	7.5
240.95316	1.1
241.08627	6.1
241.59039	1.2
242.08836	1.2
243.17708	1.2
244.13348	25.6
245.05756	9.1
245.16612	1.4
245.55888	4.1
246.14801	2.1
247.24202	3.3
248.09224	12.5
248.12901	2.8
249.02827	6.4
251.13899	11.2
254.06224	19.3
254.56447	4.6
255.01602	2.3
256.56577	2.5
259.09671	10.8
260.09897	1.7
261.16006	13.4
261.18506	1.8
262.14291	4.8
263.06824	4.0
265.12057	1.9
265.57111	4.1
266.07184	1.5
267.03900	3.3
268.55789	1.1
271.14307	1.2
271.16913	2.4
271.24307	2.2
272.12820	6.2
274.57492	1.5
289.15286	6.6
289.18045	4.3
289.25241	2.0
290.13861	43.5
301.10696	2.9
302.06320	1.1
307.16507	100.0
307.26147	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	307.0924
Annotation	Unknow
Peak:m/z	Relative Intensity
58.89371	0.6
65.03947	0.8
67.05495	1.0
67.74650	0.6
69.03418	1.4
70.06586	2.9
70.06915	0.5
70.83976	0.6
71.16982	1.5
72.08143	2.1
72.82539	0.7
79.05509	1.0
81.03405	2.1
83.04967	1.0
84.04510	1.2
84.08151	1.1
86.09694	0.9
87.00838	2.5
91.05487	1.2
91.29988	0.7
93.03395	1.1
93.07037	1.0
94.06567	2.7
95.05003	0.8
107.04943	0.9
109.02880	1.3
111.04426	2.5
114.10294	0.8
115.05405	0.7
117.03434	1.6
119.04979	1.5
119.08545	0.7
120.08128	1.4
121.06545	0.7
123.04408	3.6
127.03951	1.2
130.06528	91.7
132.04451	21.8
132.08047	0.9
134.09656	0.9
135.04416	1.6
135.08066	0.8
137.02362	4.9
137.05957	0.7
139.03905	22.7
145.02896	3.4
146.05981	5.8
147.04414	5.4
151.03894	1.3
153.05429	0.7
157.07614	74.1
158.06015	100.0
159.06299	0.9
161.07892	1.3
163.03889	4.6
163.13640	0.7
164.86020	0.7
172.07480	0.9
173.07135	4.2
175.08670	48.5
176.07103	0.8
177.05486	3.8
178.10527	0.9
179.03436	0.7
197.07104	3.0
198.05397	0.7
199.08641	2.7
200.07138	1.1
201.06607	6.0
203.08177	4.8
204.10245	2.2
217.09805	0.9
221.09245	2.6
243.07686	13.1
245.09215	2.5
247.07135	3.7
261.08719	49.5
263.13965	0.9
271.07132	2.8
279.17065	1.3
289.08228	16.3
290.14783	0.7
307.09296	6.8
307.13049	1.1
307.16296	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	306.2792
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.3
53.96878	0.1
55.01872	0.8
55.05515	6.3
55.66426	0.1
56.05026	0.2
56.96555	0.1
57.07075	0.8
58.06583	0.1
65.03935	0.3
67.05509	7.9
69.03423	0.2
69.07070	7.0
69.94117	0.4
70.02951	0.1
71.08635	0.2
72.04510	0.3
79.05501	2.1
80.05013	0.1
81.07061	6.8
82.06602	0.2
83.04981	0.2
83.08624	2.1
84.08154	0.2
85.01976	0.1
85.05291	1.9
85.06548	0.1
86.06065	0.9
91.05486	0.8
93.07044	1.7
94.06581	0.1
95.08615	4.7
96.08134	0.3
97.06515	0.2
97.10191	0.8
98.06057	13.4
98.09662	0.1
99.06837	0.3
100.07610	0.2
105.07021	0.4
107.08606	0.8
109.06518	0.1
109.10156	1.6
110.09663	0.5
111.11739	0.2
112.07611	1.6
119.08558	0.5
121.10144	0.5
122.09691	0.1
123.11709	0.5
124.07594	0.2
124.11220	0.3
125.08405	0.2
126.09157	0.5
133.10104	0.2
134.09639	0.1
135.11668	0.3
137.05984	1.0
137.13232	0.1
138.09148	0.3
139.08055	0.1
140.10687	0.6
147.11664	0.2
148.08289	0.1
152.10686	0.4
154.12276	0.8
166.12292	0.3
168.13844	0.5
180.13895	0.2
182.15396	0.5
191.90028	0.1
194.15419	0.4
196.16943	0.7
208.16910	0.9
210.18504	0.2
222.18568	0.6
224.20059	0.2
236.20103	0.4
238.21684	0.1
250.21716	0.2
264.23584	0.2
266.54523	0.1
275.19852	0.1
306.27908	100.0
307.28320	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	306.2063
Annotation	Unknow
Peak:m/z	Relative Intensity
50.97210	0.2
51.90655	0.3
58.02946	0.2
69.07063	1.2
70.01822	1.2
70.02163	0.4
79.05494	0.7
81.07054	0.9
82.40157	0.4
83.64878	0.3
91.05511	0.5
93.07052	0.4
94.04194	1.3
95.72179	0.3
96.27315	0.3
96.72069	0.2
99.72622	0.3
100.07624	0.3
103.69352	0.3
107.08599	0.9
109.10148	0.6
114.09164	0.6
117.74258	0.2
122.03645	5.8
126.09165	0.4
133.10132	0.9
135.11722	1.1
137.05983	100.0
138.12650	0.3
151.11227	0.5
153.12753	1.1
170.15395	1.6
182.15428	2.9
219.39398	0.3
267.39865	0.3
287.79309	0.3
306.20566	0.9
312.25256	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	306.1448
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05073	1.0
64.21499	0.3
67.05525	0.4
69.03452	0.4
70.06303	0.4
70.06643	1.3
71.16924	0.6
72.08208	0.9
74.06068	2.1
79.05533	0.5
80.05036	0.9
81.03458	0.4
84.04506	17.1
84.08175	0.4
85.02930	0.9
86.09705	1.7
88.04015	0.3
91.05546	0.7
93.07095	0.7
95.04990	0.5
97.02930	0.6
97.06572	0.5
98.06093	1.5
98.45283	0.4
98.97629	0.5
102.05554	0.5
107.08624	0.5
111.04444	0.6
113.96140	0.4
115.05489	1.0
117.05779	0.8
118.06537	3.5
123.04440	2.2
126.01064	1.8
130.05002	2.9
130.06531	2.8
132.04443	8.8
132.08090	14.2
135.04385	0.6
137.02353	0.7
137.06013	1.8
139.03905	1.6
140.04219	0.4
142.06514	3.4
144.02127	1.8
146.05994	0.8
147.04474	0.5
157.07646	2.1
158.06024	3.6
159.09174	0.7
160.07578	100.0
163.03889	1.5
175.08653	1.1
177.10231	59.2
188.06998	0.5
205.09627	0.5
215.11778	3.3
221.01161	0.4
225.10217	2.3
242.13486	0.4
243.11304	9.5
261.08640	0.8
288.13226	1.4
289.06989	0.8
289.11801	9.9
306.14276	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	306.17
Annotation	Convolamine
Peak:m/z	Relative Intensity
56.09436	0.3
57.03437	2.8
69.29296	2.6
71.01345	1.2
79.05499	0.4
85.02911	35.0
90.13312	0.3
95.01363	0.4
98.97604	0.4
103.03935	0.7
105.06994	0.3
106.06598	0.4
113.02364	1.8
118.05706	0.7
118.06551	13.7
119.07355	0.6
126.10606	0.3
131.03426	2.0
132.08102	4.5
133.08868	2.1
134.09654	1.0
145.02817	0.4
146.09650	3.4
147.10425	0.5
163.03883	0.8
176.14359	78.7
177.14703	0.6
202.15959	1.2
216.13879	0.8
259.09842	0.4
288.16037	1.3
304.28787	0.3
306.17014	100.0
307.17395	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	306.0973
Annotation	Unknow
Peak:m/z	Relative Intensity
52.36627	0.8
55.01874	1.3
55.05504	1.2
56.96552	1.0
64.17132	0.8
67.05492	2.7
67.55282	0.7
68.99786	1.5
69.03430	1.0
69.82717	2.4
69.83150	2.3
70.06593	7.0
72.08167	5.3
81.07085	1.0
84.08140	0.8
85.02906	1.1
91.05477	1.8
95.04974	5.5
98.20824	1.0
104.83410	0.8
105.03377	1.4
107.04956	1.8
107.08616	0.8
109.10210	0.8
111.04443	1.2
117.03365	1.3
119.05007	0.9
123.04434	100.0
123.59795	0.7
127.03931	0.9
131.04933	2.0
131.96126	1.1
133.02808	1.0
135.04437	3.3
137.06013	4.4
138.06334	1.9
139.03897	30.3
140.04247	3.9
145.02861	1.8
147.04320	1.0
148.04732	1.0
149.05963	1.0
151.03902	8.9
159.04398	3.0
161.06010	0.9
163.03906	17.0
164.07031	1.7
167.03352	0.8
170.08949	0.8
176.14967	0.8
177.05507	1.3
182.51593	0.8
182.61505	0.9
187.03870	4.2
190.76845	0.7
197.06038	2.1
199.07570	0.9
202.10768	3.0
205.04993	2.1
215.07039	1.3
236.02408	0.7
243.06517	1.9
253.05066	1.4
271.05908	2.0
289.07071	24.0
306.05817	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.2477
Annotation	Cyanthiwigin W
Peak:m/z	Relative Intensity
53.03948	3.1
55.01854	2.6
55.05511	9.4
56.96579	8.3
57.03421	4.8
61.02918	1.9
67.05505	22.2
69.03468	2.0
69.07072	8.1
71.05004	3.2
76.68448	1.5
79.05495	18.1
81.07062	45.4
83.05021	2.4
83.08610	7.3
85.02915	2.2
85.06532	2.5
91.05485	16.3
91.34959	1.6
93.07044	30.7
95.04984	4.3
95.08614	41.1
97.02898	3.0
97.06509	5.0
97.10159	7.3
98.97564	6.1
99.08108	18.9
105.07040	28.3
107.08594	31.9
107.94012	1.5
109.06515	5.3
109.10167	37.3
111.08070	4.7
115.05489	1.5
116.98627	3.2
117.07017	10.2
119.08593	20.7
121.10152	21.8
123.08058	3.1
123.11706	6.4
125.05982	2.3
125.09628	5.3
129.06982	1.8
131.00150	3.4
131.04916	2.4
131.08583	23.0
133.10136	20.8
135.08025	3.4
135.11705	17.7
137.09621	2.1
137.13255	2.4
139.11195	6.3
143.08578	4.6
145.10130	25.3
147.03108	3.5
147.11682	16.4
149.01265	3.7
149.05988	1.9
149.09572	2.8
149.13280	12.5
151.11058	3.2
156.03647	3.4
157.10120	6.4
159.11703	23.5
161.09601	2.4
161.13277	12.4
163.14801	5.4
165.12762	2.0
167.54468	2.7
171.11664	4.9
172.40837	1.5
173.01199	2.0
173.13272	14.6
175.14876	14.3
177.12740	3.5
177.16475	1.7
184.07365	1.8
185.13280	4.6
187.14832	30.9
188.58446	1.7
189.16405	20.2
191.14270	5.3
195.11940	1.6
199.14832	6.9
201.16418	3.7
203.17969	1.9
205.15897	34.3
213.16357	5.5
215.17947	2.9
217.15913	3.3
224.08061	16.0
224.58192	1.9
227.17912	8.5
229.07426	2.7
229.19539	3.8
231.17494	3.2
236.61594	1.7
241.19589	4.3
243.21054	2.4
245.15335	2.5
257.22684	6.6
259.24106	2.8
269.22644	46.5
273.18433	2.5
275.23727	3.4
277.17834	1.7
287.20245	4.9
287.23682	100.0
305.05298	2.4
305.10620	11.8
305.17386	8.3
305.21130	8.8
305.24734	77.4
305.28592	5.6
305.60675	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	305.2111
Annotation	[8]-Shogaol
Peak:m/z	Relative Intensity
53.03935	1.3
53.64904	0.5
55.01873	2.3
55.05271	0.7
55.05514	10.2
56.13688	0.4
57.03421	1.3
57.07068	0.9
58.20308	0.4
59.04987	1.7
65.03932	1.5
67.05506	12.0
69.03425	2.0
69.06726	0.7
69.07072	7.7
69.80277	2.0
71.05000	2.4
72.85950	0.4
73.06540	1.8
79.05493	12.0
81.03426	0.9
81.07057	10.9
83.04973	1.9
83.08618	2.4
85.06544	2.1
91.05480	15.9
93.03381	0.7
93.07047	9.8
94.04167	0.7
95.04981	4.2
95.08605	11.3
97.02892	0.5
97.06517	3.6
97.10161	1.7
98.06063	0.4
99.08092	1.2
103.05457	1.2
105.04490	0.6
105.07034	14.9
107.04986	2.1
107.08596	8.9
108.05761	0.6
109.06520	5.0
109.10152	3.2
110.07362	0.4
111.04441	3.6
111.08083	1.4
112.05225	0.7
113.06024	1.2
115.05454	1.4
116.06235	0.8
117.07026	7.0
119.04935	1.5
119.08578	10.6
121.06503	14.0
121.10141	4.3
122.07288	0.8
123.04427	3.1
123.08077	3.1
123.11671	0.4
124.05193	0.9
125.05995	5.9
125.09627	1.3
126.06777	4.7
128.06213	1.7
129.07007	4.7
130.07771	1.3
130.12331	0.4
131.08577	9.6
132.58374	0.4
133.06485	4.0
133.10126	5.9
135.08047	9.4
135.11688	1.7
137.06001	5.9
137.09607	2.5
138.06769	0.6
139.07529	2.4
139.11160	1.3
142.07784	1.0
143.08553	5.3
145.06485	1.0
145.10129	7.7
146.07216	0.7
147.08047	6.3
147.11708	4.0
148.08803	1.2
148.87018	0.4
149.09628	4.3
149.13271	0.7
150.10432	0.5
151.07567	2.8
151.11200	1.0
155.08531	0.7
156.09377	0.5
157.10115	4.9
159.08026	1.2
159.11693	3.5
160.08817	0.6
161.09621	8.0
161.13243	1.6
163.07602	0.4
163.11186	4.6
165.09093	2.7
165.12749	1.0
166.09894	0.5
167.10719	0.6
169.10136	1.3
171.08066	0.5
171.11685	3.0
173.09636	1.2
173.13254	1.2
175.11192	6.7
175.14838	0.6
176.11949	0.5
177.09119	0.5
177.12708	3.8
179.10712	2.1
180.11247	0.4
181.10217	0.6
181.12300	0.9
185.09639	0.7
185.13257	1.2
187.11130	1.3
187.14812	0.4
189.09149	0.4
189.12729	2.5
190.13518	0.9
191.10736	0.6
191.14301	1.0
193.12236	3.6
195.11586	0.6
199.11180	1.0
199.14737	0.6
201.12753	1.1
201.16399	0.7
203.10655	0.6
203.14328	1.2
203.17978	0.5
205.12263	0.5
205.15900	1.6
207.13797	7.5
208.14613	0.7
213.12733	0.7
215.14311	0.5
217.12201	0.4
217.15880	0.7
217.19516	0.9
218.12939	0.6
221.15459	0.6
227.14328	0.7
227.17940	2.5
233.15427	1.2
235.13306	1.0
237.14575	1.9
245.15276	0.5
245.18954	3.4
249.14873	0.9
255.17514	1.9
259.20618	3.0
263.16501	3.5
269.19101	0.5
273.18500	7.1
277.21671	3.3
287.20074	2.9
305.21109	100.0
305.26190	7.5
306.21152	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.2112
Annotation	7alpha-Hydroxydehydroepiandrosterone
Peak:m/z	Relative Intensity
50.64407	0.7
53.12496	0.6
55.05503	2.8
56.10123	0.8
57.03421	1.1
67.05497	6.0
69.03445	1.0
69.07058	1.3
69.37874	5.0
79.05494	7.8
81.07072	7.5
83.04993	2.2
83.08646	1.4
85.84262	0.6
91.05485	8.6
93.07048	10.6
95.04996	1.0
95.08609	12.0
97.06532	15.3
98.35587	0.7
105.07036	12.1
107.08592	8.6
109.06541	4.9
109.10154	4.6
111.08083	100.0
117.07030	5.8
119.08588	11.7
121.06524	4.5
121.10130	5.4
123.02504	0.7
123.08069	22.1
123.11658	1.2
129.07004	3.1
130.46921	0.7
131.08571	11.8
133.10133	7.7
135.08057	7.1
135.11708	1.7
137.08559	0.7
137.09628	15.5
141.07001	1.3
142.07750	0.9
143.08539	4.1
145.10094	4.9
147.08070	2.9
147.11684	6.3
149.09625	24.3
149.13271	1.7
151.11195	1.6
155.08577	2.0
157.10141	6.0
159.08044	1.2
159.11703	19.4
159.13046	0.9
160.12434	1.1
161.09633	4.1
161.13252	1.9
163.11198	1.9
165.12703	0.9
167.08446	0.7
169.10143	1.7
171.11632	4.1
173.09619	1.9
173.13290	2.3
175.11192	1.5
177.12758	2.6
181.10150	1.4
183.11679	2.3
185.09627	0.8
185.13280	2.7
185.35060	0.8
187.11119	1.2
189.12781	1.5
191.14186	0.9
195.11726	2.8
197.13176	3.3
199.11238	4.0
203.14383	0.7
209.13290	2.9
211.14824	2.3
213.12755	3.2
213.16418	2.5
215.14326	1.1
223.14824	1.5
225.16365	3.0
227.14374	1.4
227.17963	3.6
229.15916	2.1
231.17523	1.0
241.15918	4.4
241.19502	8.0
245.18996	0.9
251.17923	6.4
257.18939	3.7
259.16956	5.4
259.20596	1.2
266.64182	0.9
269.19009	27.7
287.20047	98.1
288.20490	0.8
305.21109	47.2
311.81879	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.2112
Annotation	7alpha-Hydroxydehydroepiandrosterone
Peak:m/z	Relative Intensity
53.27916	0.9
55.01860	1.5
55.05497	3.5
55.35057	0.9
56.96565	1.5
57.03445	1.1
59.27132	0.9
65.03964	1.2
67.05507	9.8
69.03413	1.4
69.07062	3.9
69.27270	4.2
69.27694	4.0
71.04996	1.3
79.05492	11.4
81.07068	11.4
83.04954	1.6
83.08602	1.1
91.05479	10.8
93.07044	17.3
95.04961	2.7
95.08605	15.8
97.06529	19.2
97.10136	1.2
98.97560	2.7
103.05467	0.9
105.07035	14.6
107.08598	13.4
109.06512	7.5
109.10161	7.9
111.08086	100.0
117.03357	1.5
117.07032	7.2
119.08575	14.0
121.06505	4.2
121.10148	7.5
122.06023	1.1
123.08071	24.8
123.11710	2.2
125.09621	2.0
129.06995	3.3
131.08574	14.0
133.10147	7.3
135.04462	1.2
135.08066	7.9
135.11691	3.8
137.05971	2.9
137.09619	16.6
143.00159	1.3
143.08580	4.8
145.02815	2.5
145.10103	8.4
147.08014	2.1
147.11659	7.5
149.09627	23.0
149.13254	2.9
157.10120	5.8
159.08090	2.1
159.11691	21.0
161.09631	3.1
161.13254	1.9
163.03883	4.1
163.11194	2.5
169.10133	3.0
171.11674	5.5
173.01315	1.1
173.09639	1.8
173.13304	3.1
175.07559	1.2
175.11220	3.5
177.05475	5.1
177.12723	3.8
183.11732	2.1
185.09592	1.1
185.13228	3.7
187.11218	1.9
189.12691	2.4
195.11774	2.7
197.13261	3.5
199.11177	2.0
199.14804	1.4
200.10728	1.6
201.12708	1.5
209.13196	1.4
211.14793	3.5
213.12773	2.5
213.16376	2.7
214.12276	1.5
215.14368	1.9
217.13376	1.3
223.14705	2.0
225.16335	2.9
227.14311	2.0
227.17981	3.5
229.15936	2.2
231.17439	1.5
232.12230	1.0
241.15849	3.9
241.19556	5.2
243.17503	1.6
245.12848	3.8
251.17940	5.0
257.19052	3.7
259.14536	1.3
259.16940	4.9
263.06628	1.4
269.18991	27.1
287.13803	10.4
287.20059	89.0
305.10538	1.2
305.18106	1.8
305.21127	47.8
305.24478	2.0
312.91974	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.2113
Annotation	Agallochin I
Peak:m/z	Relative Intensity
51.47620	2.1
53.66788	3.1
55.01868	6.5
55.05515	19.1
56.96560	9.3
57.07067	2.6
59.05008	22.3
65.03957	3.7
67.05508	15.6
69.03433	4.0
69.07066	11.4
69.74292	6.2
69.74699	8.3
71.08627	6.4
73.06574	2.2
79.05499	19.4
81.01965	2.8
81.07054	25.5
83.04972	5.9
83.08611	9.4
85.06535	17.7
91.05485	34.1
93.07037	24.6
95.04956	6.7
95.08617	22.9
97.06557	6.4
97.10161	5.9
99.04435	3.8
105.07030	24.1
107.04962	19.5
107.08596	28.2
109.06515	8.2
109.10163	8.4
111.08138	5.1
113.06023	2.9
115.05459	5.7
116.06233	2.7
117.07025	10.6
119.08582	31.7
121.06532	5.5
121.10148	28.0
123.08096	22.5
125.09620	8.7
129.07010	6.9
131.08589	16.0
133.06490	8.2
133.10133	14.0
135.08067	23.1
135.11659	5.9
137.05975	4.2
137.09602	8.0
143.07011	3.1
143.08577	11.0
145.10133	18.6
147.08054	10.3
147.11716	7.3
149.09619	33.9
150.10393	29.4
151.07597	3.2
151.11183	27.2
156.09370	4.4
157.10136	16.3
159.08054	4.8
159.11729	7.8
161.09618	10.6
163.11220	5.9
165.09151	11.3
167.10660	19.0
169.10098	3.2
171.11737	12.4
173.09612	5.5
173.13243	7.5
175.11249	5.9
177.12744	4.6
181.10194	5.1
182.10880	3.5
185.13336	3.6
187.14795	2.6
189.12762	5.9
195.11745	4.6
196.12558	3.2
197.13295	9.1
199.11194	7.2
203.12706	3.2
203.14417	3.4
205.12251	16.6
205.15868	2.7
213.12753	3.7
213.16438	3.3
215.14383	5.0
222.14212	3.3
229.15869	5.0
231.13736	4.7
233.15439	3.9
237.16449	10.5
239.14220	3.2
249.14856	4.4
255.17448	15.2
269.19131	5.5
273.18533	16.1
287.20062	55.4
302.14075	2.4
305.15842	3.9
305.21140	100.0
305.24567	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	305.1861
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	0.3
58.06614	0.6
69.67862	0.6
69.68274	1.5
77.03934	0.4
84.08143	11.8
85.06525	0.4
86.09698	0.4
98.09700	0.6
98.20821	0.4
98.97599	0.4
103.05470	27.1
112.66565	0.3
114.12814	3.2
114.18820	0.3
117.07015	1.2
123.01561	0.3
129.13898	0.8
130.08647	2.2
130.12325	1.7
131.04929	100.0
132.05284	0.3
153.05450	0.5
175.14424	7.3
198.12831	0.5
203.82085	0.3
214.12361	0.4
260.12900	0.4
287.17532	1.3
305.18588	62.0
306.18842	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.1861
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.5
54.50874	0.4
55.05495	0.5
56.05036	0.7
56.96561	1.3
57.03429	1.2
61.02920	0.5
65.03967	0.4
67.05507	2.3
69.03424	1.4
73.02911	1.0
79.05504	0.8
81.03419	0.4
81.07047	1.4
83.06118	0.4
84.04509	6.8
84.08150	0.9
84.66553	0.3
85.02908	14.8
86.06044	0.7
87.04480	0.6
91.03934	0.6
91.05476	1.4
93.07043	1.2
95.01322	1.5
95.04977	0.6
95.08617	0.8
97.02899	1.7
97.06549	0.6
98.97598	2.4
102.05544	5.3
103.05454	1.7
105.07020	0.8
107.08590	0.6
108.08122	0.5
109.10151	2.0
110.01250	0.4
111.08067	0.4
112.03978	1.1
112.99113	0.4
113.02376	1.5
115.03949	0.4
116.98551	0.7
118.06550	6.0
119.08559	0.6
121.10123	0.6
122.06010	0.7
124.07601	2.0
130.05009	41.8
131.00169	1.5
131.04941	5.9
132.08087	2.1
133.08900	0.7
134.09671	0.6
135.11702	0.4
136.07588	17.1
136.99200	0.4
137.05965	0.6
139.03925	1.0
143.08630	0.4
146.09647	2.5
147.03107	2.3
147.04147	0.4
147.10416	0.5
149.01205	2.0
152.06001	0.7
152.07076	3.8
156.03600	2.7
157.10101	0.4
158.99629	0.5
159.11674	0.5
160.11247	0.4
161.12108	0.5
164.07065	14.2
170.08142	1.1
171.11732	0.4
173.01186	0.4
175.14435	0.6
176.14352	100.0
177.00723	0.4
177.14700	0.9
182.08119	3.7
190.46092	0.4
191.02325	0.5
202.15930	0.8
211.06317	0.4
216.13789	0.5
218.16487	0.4
224.08043	13.3
224.58246	0.9
224.84070	0.3
229.07471	1.8
241.08614	0.4
242.89511	0.4
247.08557	0.9
255.06616	0.5
259.09753	0.6
269.19116	0.7
287.13776	1.0
287.16864	0.4
287.23593	0.4
288.15933	5.2
293.05688	0.5
299.08701	0.4
305.10928	9.1
305.14905	1.2
305.18567	37.6
305.60709	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.186
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02384	0.4
53.03945	0.7
55.05508	0.3
56.05038	0.4
56.96548	0.8
57.07066	0.2
58.06612	0.6
67.05487	0.5
69.03423	1.0
69.07068	0.5
70.02959	0.3
70.06604	0.3
71.52520	0.4
72.08162	0.3
74.86301	0.3
75.04230	0.2
77.03938	0.3
81.03416	0.7
81.07051	0.2
84.08144	15.9
85.02911	0.5
85.06543	0.6
86.09705	1.7
91.05486	0.7
95.04996	0.7
95.08619	0.5
96.01421	0.3
97.02864	0.4
97.06551	0.4
98.09706	0.7
98.97588	1.1
99.04435	0.4
103.05465	38.8
105.04485	0.4
105.07044	0.5
109.02908	0.3
111.08060	0.3
112.11199	0.3
114.05509	0.6
114.12807	4.6
116.42176	0.3
117.07000	1.1
119.04865	0.3
119.08559	0.3
120.08128	0.4
121.02821	0.3
122.06037	1.1
123.04375	0.5
127.03909	0.9
129.13896	0.6
130.08640	9.3
130.12274	2.9
131.04926	100.0
136.07582	0.4
137.02292	0.9
137.05968	2.7
138.09169	0.6
139.03896	5.0
143.08469	0.3
145.02841	0.4
147.04436	1.1
149.02415	0.3
150.05516	0.3
151.03905	0.3
153.01849	0.6
157.10143	0.4
158.99652	0.6
163.03900	0.5
164.07069	1.1
175.14423	19.7
179.06921	0.3
186.07623	0.4
198.12733	0.6
227.14038	0.2
259.05801	0.4
261.19699	0.3
269.12766	0.7
269.18896	0.3
287.13821	0.7
287.17416	0.8
305.05222	0.8
305.18579	74.5
306.18945	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.1496
Annotation	Unknow
Peak:m/z	Relative Intensity
50.58777	0.3
52.71552	0.3
53.03952	0.9
55.01873	0.3
55.05505	0.7
67.05513	1.2
68.43200	0.3
69.07065	0.7
71.25789	0.6
72.63474	0.3
74.33192	0.3
77.03918	0.6
79.05505	0.7
81.03464	0.3
81.07066	2.3
83.04989	0.3
87.76382	0.3
91.05487	3.4
93.05790	0.5
93.07050	3.4
94.06560	0.6
95.04962	1.1
95.08624	0.5
96.08146	0.7
97.06498	0.3
98.97588	1.0
103.05491	0.5
105.07017	0.6
107.08617	0.5
108.04447	0.6
108.08131	1.7
109.10174	0.9
121.10126	0.6
122.06032	4.0
123.11664	0.6
124.07595	8.9
126.05522	0.9
131.04932	1.1
133.10097	0.4
136.07582	100.0
138.09132	0.7
139.03914	0.3
140.07050	0.9
140.08943	0.3
150.05504	0.7
151.11127	0.4
152.07076	19.3
153.12759	0.3
163.04076	0.4
164.07072	80.9
170.08127	4.5
176.14438	0.4
182.08139	18.5
287.10757	0.2
287.13898	6.6
305.08255	0.4
305.14886	1.4
305.18533	0.8
305.24792	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.1498
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03724	0.4
53.03952	1.3
53.37116	0.3
55.01870	0.5
55.05523	0.7
56.05037	0.7
56.96576	1.2
57.03425	0.9
61.02924	0.7
64.77365	0.3
65.03928	0.6
67.05502	3.3
69.03433	1.6
69.07084	0.6
69.26819	2.6
73.02926	0.5
77.03970	0.5
79.05503	1.1
81.03460	0.4
81.07075	2.4
82.59866	0.3
83.05006	0.6
84.04514	6.6
84.08152	1.5
84.96019	0.4
85.02911	12.5
86.06097	0.9
87.04485	0.6
91.03947	0.4
91.05489	3.9
93.05814	0.5
93.07050	3.2
94.06593	0.6
95.01339	1.1
95.04984	1.4
95.08625	1.3
96.08145	1.0
97.02902	1.5
98.97578	2.4
102.05565	4.8
103.05480	2.6
105.07056	1.0
106.06589	0.4
107.04952	0.5
107.08641	0.6
108.04559	0.5
108.08126	1.7
109.02946	0.6
109.06485	0.5
109.10167	2.1
111.04506	0.4
112.03979	0.8
112.99110	0.5
113.02388	0.9
116.98654	0.8
117.07065	0.7
118.06561	5.9
119.04959	1.2
119.08614	1.2
122.06041	3.6
123.08095	0.5
124.07597	9.2
126.05531	1.5
130.05011	31.6
131.00188	1.7
131.04933	9.1
131.08536	0.5
132.08113	1.6
133.08894	1.1
133.10156	0.5
136.07588	100.0
137.05994	7.0
137.07863	0.4
138.09126	0.6
139.03917	10.2
140.07043	0.4
142.07750	0.4
143.00316	0.5
143.08507	0.5
144.08087	0.6
145.10002	0.4
146.09645	1.8
147.03065	1.1
147.04384	1.3
149.01234	1.4
150.05533	0.6
152.07076	20.0
156.03638	2.3
157.10085	0.4
158.99683	0.7
159.11745	0.7
161.06090	0.4
164.07079	80.2
170.08147	5.8
175.07597	0.7
175.14412	0.8
176.14359	78.0
177.00740	0.7
179.07051	1.3
182.08147	17.8
186.07617	0.7
202.15869	0.7
207.10056	0.4
213.09035	0.4
224.08066	12.2
224.58258	1.0
228.05725	0.4
229.07497	1.4
236.87939	0.4
241.08853	0.4
243.69550	0.4
244.59457	0.9
247.08533	0.8
254.34169	0.4
259.09714	1.2
269.19144	0.5
287.13986	3.9
287.19919	0.5
288.15955	4.8
305.05341	0.9
305.10876	7.7
305.14883	3.7
305.18552	32.4
305.60840	0.6
306.46069	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.102
Annotation	4'-O-Methylcatechin
Peak:m/z	Relative Intensity
53.02785	0.2
55.01865	1.1
55.05518	0.3
57.61869	0.3
63.57171	0.2
65.03939	1.1
66.53262	0.3
67.05495	1.2
68.99789	1.2
69.03425	0.5
71.04967	0.3
79.01181	0.2
79.01828	0.3
79.05491	0.5
81.25708	0.3
83.04967	0.9
84.08138	2.6
85.02883	0.4
91.05468	1.3
93.03415	1.3
94.04204	0.9
95.04963	2.0
97.02896	0.7
103.05464	5.1
104.26564	0.2
105.07030	0.9
107.05012	0.3
111.04445	2.9
114.12796	0.7
115.05446	0.7
117.07035	0.4
119.04950	4.0
121.02857	0.3
122.03669	1.6
123.04429	0.7
125.09705	0.3
127.03918	0.4
130.08617	0.4
130.12283	0.4
131.04932	20.8
133.06442	1.5
135.04488	0.5
137.05980	54.9
139.03902	100.0
140.04227	0.4
143.04967	1.9
147.04411	21.2
151.03911	1.4
151.07552	0.5
153.01776	0.5
153.05452	1.0
158.06004	0.3
160.05190	0.8
161.06001	2.3
163.03944	1.0
175.07547	3.5
175.14430	1.3
176.14413	0.3
177.05339	0.3
179.07053	5.3
181.04994	1.3
189.05505	0.4
191.07011	0.7
193.08600	2.2
203.07097	0.5
221.08067	3.5
263.09222	0.8
287.09137	0.9
305.05576	3.5
305.10208	3.8
305.18597	12.7
305.22159	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	304.1391
Annotation	Unknow
Peak:m/z	Relative Intensity
50.15690	0.9
53.03938	2.6
53.47365	0.9
53.54274	0.9
55.01875	2.3
56.96538	1.4
57.03436	2.6
58.06579	1.2
60.04524	5.8
61.02918	4.3
66.87025	1.0
67.05502	1.7
69.03075	1.4
69.03428	12.7
69.07069	35.6
69.20089	9.7
70.06587	2.3
71.05013	2.3
71.08633	18.7
72.08132	1.8
73.02918	1.4
79.05486	2.1
81.03412	6.2
81.07065	1.1
84.04499	3.8
85.02905	58.8
86.02435	4.6
86.09711	1.9
87.04483	1.3
88.03924	0.9
91.03964	1.0
95.04977	1.1
96.04491	1.2
96.08129	3.3
97.02890	33.8
97.06542	5.8
98.15897	1.0
98.97580	1.8
99.04462	2.7
103.03949	4.0
107.04991	1.4
109.02880	9.6
114.09161	17.9
120.05210	0.9
122.02733	0.9
122.05956	1.4
123.04481	4.5
124.04781	5.1
124.07556	1.4
127.03920	12.5
137.05969	5.7
138.06325	3.5
138.09145	3.3
139.03896	2.5
140.04236	1.4
142.08633	100.0
145.04970	6.9
147.04446	3.2
148.04761	3.5
151.03888	9.4
152.04243	8.8
154.71933	1.0
156.10197	2.3
157.05168	0.9
177.05511	1.6
178.05797	1.2
180.10138	1.5
184.09691	63.8
202.05769	1.2
208.09682	12.6
220.09732	2.0
230.05283	2.2
235.11630	2.1
238.10828	1.9
250.10767	8.8
257.04349	1.5
258.04745	12.4
261.03479	3.2
274.04303	3.4
275.05060	2.4
276.09625	1.1
286.04242	4.2
286.07309	1.1
286.12814	1.1
304.05328	38.5
304.08939	9.6
304.14139	2.3
305.15640	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	303.1956
Annotation	Epimestrol
Peak:m/z	Relative Intensity
55.01871	2.9
55.05510	4.3
56.96564	3.0
57.03431	2.0
62.15538	1.3
62.15886	1.5
65.03945	1.7
67.05502	8.1
69.03432	5.9
69.07063	4.8
70.46255	3.7
71.04965	2.1
79.05489	10.6
81.03414	3.4
81.07063	9.7
83.04975	3.3
83.08620	2.1
85.02907	2.5
85.06562	1.9
91.05482	17.1
93.07049	16.4
94.06548	1.7
95.04972	6.9
95.08624	9.8
97.02895	3.7
97.06525	19.3
98.97593	2.5
103.05456	1.4
105.03422	1.5
105.07034	16.9
107.04930	2.5
107.08578	11.7
109.06527	4.4
109.10155	8.1
111.04472	1.3
111.08082	90.2
115.05499	2.4
116.98635	1.6
117.06997	7.5
119.04958	4.4
119.08582	22.0
121.06531	6.2
121.10176	6.4
122.03692	3.1
122.06011	2.7
123.04437	11.4
123.08072	50.7
123.11716	1.8
127.04046	1.3
129.07011	7.0
130.07716	1.7
131.04875	1.3
131.08556	9.5
133.06467	1.4
133.10104	9.2
135.04507	1.7
135.08064	16.5
135.11740	3.3
137.05977	42.3
137.09613	6.9
139.03957	3.6
140.07018	1.1
142.07755	2.8
143.01999	1.4
143.08580	7.6
145.02930	1.5
145.06480	1.7
145.10097	11.9
147.04367	9.0
147.08066	2.7
147.11685	10.3
149.05969	1.5
149.09631	12.7
151.03911	12.9
151.07584	1.8
153.05429	1.6
153.07100	1.4
155.08574	5.0
157.10135	13.9
159.08005	1.9
159.11711	4.0
161.06012	1.7
161.09605	2.6
161.13252	2.0
163.03896	5.0
163.11197	3.5
165.05554	1.6
165.07013	1.7
167.08534	1.5
169.10127	6.2
171.11714	5.5
173.09662	3.0
173.13208	2.2
175.11177	8.1
177.05515	2.7
177.12711	2.2
181.06497	2.6
181.10097	2.2
183.08000	2.2
183.11705	4.4
185.09763	1.6
185.13301	4.1
187.11234	4.2
189.12750	2.3
190.13499	1.8
190.86153	1.3
195.11691	2.4
197.13293	3.8
199.14818	2.3
201.05508	2.1
201.12839	3.4
209.13248	2.4
211.04044	1.4
211.07393	1.5
211.11220	3.6
211.14780	6.2
213.12735	2.9
213.16454	1.5
219.06512	9.7
221.13310	1.3
223.14766	1.6
225.12834	2.4
225.16429	3.0
227.14391	4.2
227.18045	1.4
229.05011	2.0
229.15880	18.8
239.07979	1.5
239.14340	4.2
239.17931	6.5
241.15984	3.4
243.06647	1.7
243.17558	1.7
249.16472	1.6
252.64267	1.3
257.04495	11.4
257.12900	2.9
257.15356	2.8
257.19043	4.8
259.16962	4.8
261.58157	1.9
266.57504	1.8
267.17471	22.1
267.20486	1.8
271.09720	2.6
274.04782	4.5
275.57953	3.6
276.07999	1.5
285.03958	3.4
285.12256	4.2
285.18530	47.6
285.22021	4.0
303.05051	37.5
303.08606	11.4
303.19604	100.0
303.23102	8.8
318.27844	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.1956
Annotation	Epimestrol
Peak:m/z	Relative Intensity
53.03934	0.7
53.24893	0.5
55.01868	0.9
55.05504	3.1
56.96557	2.3
57.03409	0.7
57.07069	1.3
60.87792	0.4
67.05507	4.7
69.03432	2.5
69.07076	4.4
70.83604	1.1
71.04988	1.5
79.05489	5.0
81.03408	1.0
81.07056	10.1
83.04973	1.8
83.08610	2.2
85.02872	0.8
85.06539	1.8
91.05482	6.0
93.07049	8.0
95.05001	2.7
95.05508	0.5
95.08607	8.5
95.75373	0.5
97.02895	5.0
97.06533	21.7
97.10189	0.7
98.97585	3.2
99.08119	0.6
105.07030	6.7
107.08594	5.6
109.06535	2.8
109.10166	5.8
111.04488	1.0
111.08080	27.1
113.05995	0.6
116.98604	1.0
117.06998	2.4
119.08607	6.9
121.06492	2.1
121.10148	3.7
122.03645	0.7
123.04453	1.2
123.08066	1.9
123.11704	2.1
125.09589	1.1
128.06253	1.1
129.07019	3.0
131.00206	0.7
131.04929	1.0
131.08569	5.7
132.77118	0.5
133.10143	4.7
135.08064	2.3
135.11681	3.0
137.05978	12.0
137.09561	1.3
137.13290	0.6
139.03906	0.8
141.07011	1.5
142.07788	1.0
143.08562	20.9
145.06496	0.7
145.10141	6.0
147.04404	0.6
147.08043	1.4
147.11681	3.7
149.05963	0.5
149.09602	3.1
149.13208	1.2
151.03857	1.3
151.07547	1.1
151.11130	0.8
153.06996	0.9
155.08559	8.6
156.09323	1.0
157.10155	3.7
158.03659	0.8
158.99695	1.4
159.08063	0.7
159.11696	3.8
161.09624	2.1
161.13225	1.5
163.03860	1.3
163.07504	1.0
163.11131	0.9
165.05615	0.7
165.07008	1.3
165.09160	0.5
167.08560	1.5
169.10135	4.5
171.08040	1.3
171.11705	2.3
173.01236	1.0
173.06042	2.6
173.09647	5.2
173.13264	1.8
175.11201	2.4
175.14838	0.9
176.04747	0.5
177.00719	0.7
177.12766	0.6
181.04900	0.6
181.06456	0.7
181.10121	1.6
182.99684	0.6
183.08139	1.1
183.11678	3.4
185.09662	2.1
185.13231	1.3
187.11223	1.7
187.14828	1.6
189.09225	0.6
189.12750	2.0
189.16440	0.6
194.10828	0.8
195.11798	1.3
197.13277	2.3
199.11201	1.0
199.14824	1.1
201.05557	0.8
201.12738	4.6
201.16359	1.0
203.14342	0.6
204.04344	0.7
206.10928	0.8
207.11658	0.6
209.13275	3.3
211.07660	1.1
211.11111	2.5
211.14850	1.1
212.11908	0.6
213.12801	1.4
213.16478	0.8
215.14368	1.0
217.15974	0.6
219.01775	0.6
219.06522	11.7
221.13362	1.1
224.11868	1.0
225.12746	3.2
225.16429	1.2
226.13464	4.0
227.14304	15.1
227.17868	0.8
228.15176	1.0
229.04919	1.1
229.15858	1.4
239.14316	12.1
239.18025	1.5
241.19469	0.7
243.10091	1.1
243.13870	1.0
243.21138	0.7
244.99704	1.3
246.09247	1.2
254.16585	1.3
257.04498	3.2
257.15341	3.5
257.18958	0.6
257.22601	1.6
259.09616	0.6
267.17496	3.7
267.21005	2.0
271.09607	1.4
274.04782	1.9
285.03885	1.6
285.07721	0.5
285.11658	0.9
285.15198	0.8
285.18509	22.8
285.22098	5.0
288.05209	0.7
303.04999	16.1
303.08502	3.9
303.12247	2.9
303.19571	100.0
303.23117	8.4
304.19794	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.1955
Annotation	18-Nor-4,15-dihydroxyabieta-8,11,13-trien-7-one
Peak:m/z	Relative Intensity
55.05504	3.3
56.96559	2.4
57.03435	0.7
57.07066	1.4
67.05183	1.2
67.05508	14.6
69.03426	2.1
69.07071	6.0
71.52426	1.6
73.02895	1.0
79.05488	8.6
81.06589	1.4
81.07059	22.3
83.04991	1.1
83.08615	2.1
85.02908	1.7
86.09660	0.8
91.03976	0.9
91.05476	10.8
93.06494	1.3
93.07053	25.5
95.04967	2.9
95.08611	46.9
97.02897	5.0
97.06520	3.5
98.97576	1.7
102.40136	0.7
105.03384	1.2
105.07034	12.9
107.04962	0.9
107.07882	1.0
107.08598	14.9
109.06519	1.4
109.10172	14.6
111.08081	1.2
115.21199	0.7
117.07015	3.5
119.08584	11.1
121.06513	13.9
121.09333	1.3
121.10146	17.7
123.08076	1.9
123.11699	4.2
127.03938	1.1
129.06979	1.6
131.08571	6.2
133.06459	1.0
133.10143	8.5
135.08022	1.9
135.11691	12.7
137.05994	3.4
139.11194	2.2
143.08585	4.8
145.06398	1.5
145.10117	7.1
147.08086	1.9
147.11697	9.2
149.09656	1.2
149.13268	12.8
151.03909	1.5
155.08575	1.9
155.10631	0.9
157.10127	4.6
159.08054	2.0
159.11685	5.6
160.72662	0.7
161.09660	1.4
161.13283	8.6
163.03943	1.2
163.07645	1.0
163.11139	2.3
163.14809	1.7
167.10661	1.3
169.10149	2.2
171.11633	2.0
173.09547	1.7
173.13191	1.6
175.11189	7.0
175.14816	11.7
181.10156	1.2
183.11684	2.8
184.07379	0.8
185.09631	1.1
185.13225	2.1
187.11189	3.0
187.14783	3.2
189.12691	1.2
191.10634	0.9
193.10201	1.2
193.12315	1.2
197.09676	1.7
197.13278	1.5
199.14868	1.3
201.12784	0.9
201.16406	4.4
209.13258	1.5
210.10371	0.9
211.11203	2.4
211.14821	2.1
215.17928	1.0
219.06497	8.2
221.13210	1.0
225.12685	4.1
225.16347	1.0
227.14188	1.0
229.05002	1.2
229.15927	2.1
229.19400	1.0
233.06667	2.0
239.14305	1.1
239.17865	6.2
249.16234	1.3
251.07867	1.4
257.04401	3.4
257.19061	3.9
257.22656	38.0
267.17419	11.0
267.21011	5.0
274.04697	1.1
285.03964	2.1
285.18527	100.0
285.22034	10.9
286.18634	1.3
288.05194	0.9
303.04944	13.7
303.08478	4.1
303.16071	2.1
303.19589	3.5
303.23151	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	303.1956
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	2.9
55.05510	4.3
56.96564	3.0
57.03431	2.0
62.15538	1.3
62.15886	1.5
65.03945	1.7
67.05502	8.1
69.03432	5.9
69.07063	4.8
70.46255	3.7
71.04965	2.1
79.05489	10.6
81.03414	3.4
81.07063	9.7
83.04975	3.3
83.08620	2.1
85.02907	2.5
85.06562	1.9
91.05482	17.1
93.07049	16.4
94.06548	1.7
95.04972	6.9
95.08624	9.8
97.02895	3.7
97.06525	19.3
98.97593	2.5
103.05456	1.4
105.03422	1.5
105.07034	16.9
107.04930	2.5
107.08578	11.7
109.06527	4.4
109.10155	8.1
111.04472	1.3
111.08082	90.2
115.05499	2.4
116.98635	1.6
117.06997	7.5
119.04958	4.4
119.08582	22.0
121.06531	6.2
121.10176	6.4
122.03692	3.1
122.06011	2.7
123.04437	11.4
123.08072	50.7
123.11716	1.8
127.04046	1.3
129.07011	7.0
130.07716	1.7
131.04875	1.3
131.08556	9.5
133.06467	1.4
133.10104	9.2
135.04507	1.7
135.08064	16.5
135.11740	3.3
137.05977	42.3
137.09613	6.9
139.03957	3.6
140.07018	1.1
142.07755	2.8
143.01999	1.4
143.08580	7.6
145.02930	1.5
145.06480	1.7
145.10097	11.9
147.04367	9.0
147.08066	2.7
147.11685	10.3
149.05969	1.5
149.09631	12.7
151.03911	12.9
151.07584	1.8
153.05429	1.6
153.07100	1.4
155.08574	5.0
157.10135	13.9
159.08005	1.9
159.11711	4.0
161.06012	1.7
161.09605	2.6
161.13252	2.0
163.03896	5.0
163.11197	3.5
165.05554	1.6
165.07013	1.7
167.08534	1.5
169.10127	6.2
171.11714	5.5
173.09662	3.0
173.13208	2.2
175.11177	8.1
177.05515	2.7
177.12711	2.2
181.06497	2.6
181.10097	2.2
183.08000	2.2
183.11705	4.4
185.09763	1.6
185.13301	4.1
187.11234	4.2
189.12750	2.3
190.13499	1.8
190.86153	1.3
195.11691	2.4
197.13293	3.8
199.14818	2.3
201.05508	2.1
201.12839	3.4
209.13248	2.4
211.04044	1.4
211.07393	1.5
211.11220	3.6
211.14780	6.2
213.12735	2.9
213.16454	1.5
219.06512	9.7
221.13310	1.3
223.14766	1.6
225.12834	2.4
225.16429	3.0
227.14391	4.2
227.18045	1.4
229.05011	2.0
229.15880	18.8
239.07979	1.5
239.14340	4.2
239.17931	6.5
241.15984	3.4
243.06647	1.7
243.17558	1.7
249.16472	1.6
252.64267	1.3
257.04495	11.4
257.12900	2.9
257.15356	2.8
257.19043	4.8
259.16962	4.8
261.58157	1.9
266.57504	1.8
267.17471	22.1
267.20486	1.8
271.09720	2.6
274.04782	4.5
275.57953	3.6
276.07999	1.5
285.03958	3.4
285.12256	4.2
285.18530	47.6
285.22021	4.0
303.05051	37.5
303.08606	11.4
303.19604	100.0
303.23102	8.8
318.27844	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.1342
Annotation	Unknow
Peak:m/z	Relative Intensity
52.01905	0.3
55.01872	0.5
55.05508	0.7
56.96571	1.6
57.03436	0.4
65.03935	0.7
67.05496	1.0
68.99790	0.7
69.03410	1.2
69.07082	1.8
70.06574	0.8
71.04999	0.6
71.51918	0.5
72.08147	1.0
77.03934	0.3
79.05502	1.8
80.18323	0.3
81.03387	0.5
81.07046	1.3
81.07481	0.3
82.06564	0.5
84.08144	0.6
84.96030	0.7
85.02899	1.0
86.09699	0.6
87.04465	0.5
89.03905	0.6
91.02103	0.3
91.05509	1.6
92.04993	1.0
93.03417	0.4
93.07029	1.1
94.06567	2.1
95.04952	0.8
95.08610	1.2
96.04507	0.5
96.08131	0.7
97.02893	0.9
97.06512	0.4
98.06039	0.5
98.97578	2.5
99.08080	0.4
105.07041	0.8
106.06559	1.6
107.04983	0.7
107.07344	0.5
107.08559	0.7
109.06532	0.6
109.10140	0.5
110.06040	5.7
110.97575	0.3
112.07583	1.2
115.03947	0.5
116.04977	0.9
116.07076	0.4
116.98614	0.8
117.05811	0.4
117.07038	0.6
118.23643	0.3
119.04900	0.4
119.08551	0.8
120.04471	10.6
121.02869	0.7
121.05253	0.5
121.06429	0.4
122.06038	3.3
123.04469	2.2
124.07601	3.3
127.03923	0.3
129.07024	0.4
131.08557	0.7
133.10083	0.4
134.06033	3.9
135.04448	0.9
135.08038	0.4
136.07594	0.8
137.02361	0.6
137.05972	3.0
138.05612	0.3
139.03912	1.0
140.07072	6.8
141.07866	6.3
142.08644	16.8
143.00156	0.5
144.04480	1.8
145.10135	0.4
146.05972	0.3
147.04401	1.3
149.06012	0.4
151.03903	2.8
153.01854	1.0
153.05530	0.3
154.08630	1.5
155.04915	0.8
158.99677	0.7
161.01219	0.5
161.06075	0.3
162.05511	100.0
162.75523	0.3
163.03946	0.3
163.06216	1.0
164.07077	1.3
165.05496	0.5
170.99585	0.3
173.05940	0.5
176.03477	0.3
177.00691	0.6
177.05498	0.9
183.04439	0.6
184.07578	0.4
185.03876	0.7
193.04987	0.5
201.05450	1.2
202.02258	0.3
211.03905	2.1
211.07603	0.4
216.10245	1.3
217.13306	0.6
219.06538	0.3
221.15482	0.3
228.10201	0.7
229.04993	3.2
230.08130	0.7
233.02284	0.3
234.11232	0.7
237.10564	0.6
239.03473	0.3
240.10364	0.4
243.11464	1.4
244.09691	1.4
245.04535	0.4
247.05864	0.3
257.04471	14.1
258.11243	3.1
259.02496	0.3
260.03189	2.3
261.12369	7.0
268.09912	0.5
271.09579	0.4
273.04016	3.1
274.04712	2.5
275.05630	0.4
279.13455	2.6
282.09570	0.5
285.03925	4.2
285.12354	1.8
285.18610	0.7
286.10770	3.4
288.05380	0.5
291.09952	1.0
292.10782	0.4
294.12262	1.7
294.62262	0.4
303.05032	42.1
303.08170	2.2
303.13388	17.4
303.16547	1.2
303.19556	0.6
303.22824	0.5
304.05209	0.4
311.15231	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0864
Annotation	3,3'-Dihydroxy-4,5,4',5'-bismethylenedioxybibenzyl
Peak:m/z	Relative Intensity
51.02384	0.9
53.03946	0.9
55.01878	3.3
56.96549	0.7
65.03932	1.1
67.05496	2.6
68.99782	1.5
69.03421	1.8
70.06591	1.5
70.61705	1.0
70.62058	1.2
71.85062	0.5
77.03950	1.1
79.05483	2.5
81.03401	1.9
81.07033	1.1
85.02897	1.4
91.05481	3.5
93.03393	0.9
93.07065	0.8
95.04987	4.5
97.02872	1.6
98.97584	1.2
103.05465	0.5
105.03378	3.3
105.07029	0.9
107.04948	1.7
109.02917	3.7
111.04449	2.0
113.44035	0.6
117.07043	0.9
117.20763	0.5
119.04947	9.2
121.02893	1.4
121.06509	0.6
123.04430	56.7
125.05988	0.8
127.03918	2.0
131.04942	0.9
133.02849	0.9
133.06537	0.9
135.04407	4.5
135.88002	0.5
137.02328	1.9
137.05977	9.0
139.03909	19.2
141.06989	0.7
143.04915	1.9
145.02838	1.1
145.06522	0.6
147.04413	29.1
149.05963	1.0
151.03905	100.0
153.01897	1.0
153.05441	3.4
155.04929	1.8
155.08507	0.6
161.06006	5.0
163.03926	6.7
165.01863	1.0
165.05481	12.3
165.06906	1.1
167.07056	14.6
169.06493	0.9
173.05966	5.5
175.03899	1.1
177.05537	2.2
179.03415	0.7
179.07065	2.6
181.04974	9.4
183.04465	1.7
183.08228	0.8
189.05489	1.8
193.04974	6.7
199.07468	0.7
201.05476	3.3
207.06520	5.5
211.03879	4.1
211.07634	1.0
211.09616	0.9
215.07108	1.4
217.08543	3.0
219.02908	2.5
225.05536	0.9
229.04962	5.8
234.11208	1.5
239.07095	1.4
243.06563	1.0
243.34212	0.6
256.03638	1.0
257.04456	33.8
260.03165	4.6
261.07666	0.6
267.03021	1.0
267.06512	0.9
273.03958	6.7
274.04727	5.8
285.03970	8.6
285.07587	5.8
303.05017	88.0
303.08655	61.4
321.02856	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	303.0499
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	0.3
54.45584	0.2
55.01871	0.3
57.46924	0.2
65.03938	0.4
66.04979	0.2
67.01857	0.3
68.99799	1.1
70.06572	0.8
71.06902	0.3
71.29253	0.4
72.61894	0.2
79.05495	0.2
81.03417	0.5
81.07054	0.2
83.01329	0.2
91.05443	0.4
95.04950	0.4
95.08598	0.2
98.20703	0.2
103.05451	0.2
107.19025	0.2
109.02893	0.9
111.00798	1.1
112.07619	0.2
112.44678	0.2
114.05503	0.3
117.06968	0.3
121.02850	1.2
123.04441	0.8
127.03928	0.4
130.06511	0.3
131.04900	0.2
131.06898	0.3
131.50610	0.2
132.08064	0.5
133.08446	0.5
135.04424	0.3
137.02362	4.6
137.03374	0.3
137.05977	1.3
139.05505	0.2
145.06491	0.5
149.02364	0.6
151.03932	0.5
153.01825	5.9
155.04918	1.2
159.04416	0.3
159.09180	0.8
160.09528	1.2
161.05984	0.4
163.03885	1.0
165.01848	2.3
166.02673	0.2
167.03329	0.2
171.04568	0.2
171.06352	0.5
173.05969	1.1
177.05440	0.5
183.02876	0.9
183.04422	1.3
187.03865	0.7
191.03354	0.3
195.02924	0.2
200.04732	0.3
201.05496	3.8
205.05046	0.5
207.02919	0.3
208.95798	0.2
211.03874	1.9
217.04842	0.3
219.02933	1.1
219.06560	0.4
228.04196	0.7
229.04962	8.4
232.03571	0.3
233.04390	0.3
234.11195	0.3
239.03445	0.3
245.04420	0.4
245.13737	0.3
246.05264	0.6
247.05974	0.8
256.03613	0.3
257.04459	15.0
260.03238	1.6
267.02942	0.3
273.03937	2.2
274.04730	3.6
275.05487	0.5
281.18292	0.2
285.03961	4.3
286.12704	1.5
303.04993	100.0
303.13986	3.7
304.05374	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0498
Annotation	Unknow
Peak:m/z	Relative Intensity
50.11008	0.1
53.98238	0.1
55.01862	0.3
65.03936	0.5
67.01861	0.5
67.05489	0.5
68.53474	0.1
68.99787	2.0
69.03412	0.2
69.51825	1.0
71.01349	0.2
77.51754	0.1
79.05475	0.2
81.03407	0.8
81.07043	0.4
85.87648	0.1
91.05479	0.4
93.03417	0.8
93.07027	0.4
95.04961	0.8
95.08597	0.5
98.20769	0.3
98.97578	0.2
105.03385	0.3
105.07018	0.4
107.04952	0.2
107.08573	0.3
109.02879	0.7
109.10145	0.5
111.00797	1.5
111.08070	0.7
115.05520	0.2
117.07009	0.6
119.08575	0.3
121.02868	1.8
121.10165	0.2
123.04462	0.7
127.03912	0.4
129.06981	0.2
131.04919	0.3
131.08553	0.3
133.06456	0.2
133.10089	0.2
135.04430	0.3
137.02348	6.7
137.03395	0.4
137.05978	0.7
143.08601	0.1
145.02834	0.2
145.06494	0.6
145.10158	0.4
147.11713	0.3
149.02318	0.8
151.03906	0.5
153.01828	9.0
155.04967	0.9
155.06017	0.2
155.08479	0.3
157.06516	0.3
157.10123	0.3
159.04384	0.2
159.11597	0.2
161.05986	0.6
163.03917	1.2
163.07495	0.2
165.01837	3.9
165.05475	0.1
166.02640	0.5
173.02419	0.1
173.05980	1.2
177.01727	0.3
177.05530	0.5
177.09151	0.2
179.03343	0.3
179.60223	0.1
183.02884	1.4
183.04430	0.9
184.05247	0.2
185.13214	0.2
187.03900	1.0
191.03381	0.3
195.02864	0.5
197.02013	0.1
201.05475	3.8
203.03400	0.2
204.03989	0.2
205.04941	0.4
207.02884	0.2
208.90968	0.1
211.03926	0.7
213.05431	0.2
215.03334	0.2
217.04919	0.1
218.56474	0.1
219.02992	0.4
219.06560	0.6
227.17923	0.2
228.04143	0.5
229.04971	8.7
233.04303	0.2
239.03468	0.3
246.05206	0.2
247.06015	1.3
257.04453	6.4
260.03134	0.3
273.03799	0.2
274.04736	1.5
275.05457	0.2
285.03949	2.3
285.07245	0.2
285.08444	0.1
285.18503	1.0
285.21866	0.2
285.88156	0.2
303.04984	100.0
304.05359	1.2
310.49664	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0499
Annotation	Quercetin
Peak:m/z	Relative Intensity
51.58563	0.1
51.85790	0.1
53.03944	0.1
53.87080	0.1
55.01859	0.4
56.96552	0.3
63.48442	0.1
65.03951	0.6
65.04229	0.1
65.40562	0.1
67.01857	0.2
67.05490	0.3
68.53734	0.1
68.99436	0.1
68.99789	1.7
69.03399	0.2
69.29606	0.9
71.01354	0.1
81.03404	0.6
81.07008	0.1
91.05476	0.3
93.03416	0.6
93.07044	0.2
95.04959	0.7
97.02898	0.1
97.06513	0.2
103.05444	0.2
105.03378	0.2
105.07027	0.2
107.04952	0.2
109.02885	1.1
110.03673	0.1
111.00813	1.8
115.05443	0.1
117.03355	0.2
117.07006	0.3
119.04942	0.2
121.02865	1.7
122.06052	0.2
123.04433	0.9
127.03931	0.3
128.06247	0.1
129.06952	0.2
131.04907	0.5
133.02859	0.2
133.06532	0.2
135.04410	0.4
137.02350	7.2
137.03404	0.5
137.05946	0.4
139.03914	0.2
139.05263	0.1
143.00209	0.1
145.02821	0.4
145.06445	0.5
145.10156	0.1
146.06017	0.1
147.04439	0.3
149.02383	0.9
151.03922	0.4
153.01836	9.6
155.04922	0.7
155.06006	0.2
157.10201	0.1
159.04405	0.2
161.05992	0.8
163.03925	1.2
165.01842	3.7
166.02632	0.5
173.02415	0.2
173.05971	1.3
177.01860	0.1
177.05443	0.6
177.32899	0.1
179.03406	0.3
181.04950	0.1
183.02896	1.4
183.04436	0.7
187.03918	0.8
191.03413	0.3
191.06985	0.1
195.02859	0.4
200.04680	0.2
201.05476	4.1
205.05005	0.4
207.02901	0.2
211.03893	0.4
213.05438	0.3
215.03552	0.2
216.07388	0.2
219.02873	0.4
219.06468	0.6
228.04288	0.5
229.04977	8.8
230.55463	0.2
232.03775	0.2
233.04286	0.1
239.03352	0.3
243.02760	0.1
245.04460	0.2
246.05333	0.2
247.06023	1.2
257.04428	5.3
257.12863	0.2
274.04742	1.6
275.05481	0.4
285.03986	2.2
285.12228	0.1
303.04996	100.0
304.05286	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.05
Annotation	Quercetin
Peak:m/z	Relative Intensity
56.96552	0.3
63.46547	0.2
65.03923	0.3
67.05486	0.5
68.99782	1.7
69.03441	0.3
70.96445	0.4
79.05494	0.3
81.03417	0.4
81.07037	0.3
93.03408	0.5
93.07036	0.3
95.04966	0.5
95.08611	0.4
96.13886	0.3
98.97610	0.7
105.07037	0.3
107.04915	0.3
109.02898	1.2
111.00803	1.5
116.98620	0.3
117.07016	0.6
119.04970	0.2
121.02858	1.7
123.04444	1.0
127.03903	0.4
129.07004	0.3
131.04948	0.3
133.10104	0.3
135.04401	0.4
137.01369	0.5
137.02356	6.1
137.03433	0.4
137.05887	0.3
139.03909	0.4
145.02765	0.3
145.06499	0.8
147.04402	0.4
149.02388	0.8
151.03914	0.7
153.01830	7.7
155.04950	0.8
161.05969	1.7
163.03908	1.0
165.01848	3.2
166.02626	0.5
173.05984	1.2
179.03284	0.3
183.02910	1.2
183.04478	0.9
183.90855	0.2
187.03844	0.6
191.03352	0.7
195.02960	0.4
197.13258	0.2
201.05432	3.3
205.05025	0.5
211.03954	0.5
219.02876	0.5
219.06580	0.7
228.04124	0.4
229.02631	0.4
229.04959	7.5
245.04521	0.4
246.08867	0.3
247.05978	1.4
257.04453	7.4
260.72476	0.2
273.03967	0.6
273.08835	0.8
273.59012	0.4
274.04837	1.3
275.05502	0.4
285.03946	3.2
303.04993	100.0
304.05325	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0412
Annotation	Unknow
Peak:m/z	Relative Intensity
57.76347	0.2
69.54381	0.6
69.54797	0.4
71.95381	0.2
82.99863	0.4
98.21542	0.1
98.97589	2.0
99.97932	0.2
101.00885	2.7
105.82967	0.2
116.98624	1.1
119.01926	4.8
120.01994	0.1
120.75688	0.2
134.99817	0.3
137.02945	0.5
140.98827	0.5
158.99922	1.5
165.99619	0.3
175.03072	0.3
177.00960	10.3
178.01041	0.5
179.00674	0.4
182.99872	0.8
187.75911	0.1
188.48125	0.2
199.02975	0.2
200.82176	0.1
201.00941	2.7
217.04059	2.3
219.02013	17.0
220.02109	1.0
221.01747	0.9
225.00854	2.6
225.02858	0.2
236.99660	0.2
242.03529	0.2
243.01997	11.0
244.02209	0.7
256.96567	0.8
261.03067	100.0
262.03198	5.0
263.03436	0.5
266.03717	0.2
275.91519	0.2
279.00653	1.3
279.98291	0.4
283.00024	0.7
284.04611	1.9
284.99860	2.7
301.01010	0.7
303.00842	3.1
303.04282	2.6
303.19687	0.2
320.97186	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	302.269
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12849	0.4
52.50338	0.5
55.05516	0.7
56.05033	7.0
56.96551	1.4
57.07081	7.0
58.06602	0.8
59.04992	0.6
61.73084	0.5
67.05500	0.9
69.07069	0.7
70.06606	0.6
71.08627	3.1
71.38655	0.7
73.20352	0.4
74.06082	20.9
79.51827	0.5
81.07069	0.9
83.08600	0.7
85.10186	0.9
85.94144	0.4
88.07630	63.2
93.07041	0.9
98.97562	0.8
102.05555	0.9
104.34996	0.4
109.10158	0.9
116.07096	3.8
121.77090	0.5
130.08607	0.8
134.08142	3.9
139.03900	0.7
177.00679	0.7
189.00859	0.5
224.85138	0.6
229.07570	0.6
230.07680	0.5
242.24786	21.6
258.06088	0.5
262.47125	0.5
284.25784	2.2
286.04517	0.9
287.05035	5.1
302.07440	5.2
302.26901	100.0
302.29990	3.6
303.04919	1.1
303.27344	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	302.1236
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	1.2
55.01866	0.9
56.05030	1.1
56.96558	1.3
57.03421	2.8
61.02914	2.2
65.03928	2.4
67.05138	1.4
67.05505	26.2
69.03433	13.4
69.07068	7.4
70.06591	7.5
71.00845	1.5
71.04984	1.3
72.08146	4.0
73.02896	0.9
79.05464	0.7
81.03413	4.2
81.07039	1.0
82.06564	0.9
84.04501	2.4
84.08147	5.3
85.02911	34.9
86.06051	1.1
86.09714	3.7
88.04025	1.4
91.05469	0.8
93.07025	1.3
94.06586	1.3
95.04974	41.8
97.02895	31.7
97.06526	0.9
98.97554	0.9
99.04436	1.8
103.03928	3.2
107.04971	1.2
108.08145	0.8
109.02888	7.7
112.07611	36.3
113.06036	4.1
120.08125	0.8
121.06460	1.4
122.06015	2.6
122.06852	0.8
123.04407	1.9
124.07600	2.3
127.03920	6.9
128.10762	1.0
129.10239	2.2
130.04974	1.0
130.08588	1.6
135.08028	0.8
136.07562	1.8
137.05968	1.7
139.03900	1.8
140.07072	100.0
145.04945	3.8
147.07704	1.1
147.11295	1.2
150.09142	1.1
151.03943	1.6
152.07053	1.2
154.08641	5.5
158.08121	1.0
163.03922	9.9
165.22871	0.8
167.01682	3.9
167.03027	0.8
178.08620	3.5
181.04913	3.1
182.08139	51.5
206.08110	11.7
213.02145	1.5
218.08125	1.9
229.04939	1.9
236.09119	2.2
248.09184	8.5
257.04379	3.9
266.10272	1.4
273.04007	1.0
283.87381	0.8
284.06418	1.0
284.11151	1.8
285.04041	1.8
287.05206	4.4
302.07474	8.1
302.12335	4.1
303.05060	11.8
310.88220	1.0
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	17beta-Hydroxy-2-methylandrost-1,4-dien-3-one
Peak:m/z	Relative Intensity
53.03941	4.4
55.01866	4.3
55.05513	15.6
56.96545	7.0
57.03442	10.8
58.84900	1.9
59.04982	2.0
59.78794	1.7
67.05183	2.0
67.05505	31.0
68.99792	3.5
69.03436	9.0
69.07082	11.3
70.06567	7.5
71.04977	5.9
71.52790	2.6
72.08142	3.2
79.05087	2.6
79.05497	35.2
81.03384	6.7
81.06596	2.4
81.07055	47.7
83.04951	6.9
83.08583	5.2
84.04486	8.3
84.08141	3.6
85.02886	6.2
85.06498	2.6
86.09696	3.3
87.04436	4.5
91.04913	2.1
91.05483	46.3
93.07049	81.1
95.04975	15.0
95.08605	40.0
97.02881	9.4
97.06500	7.6
97.10154	6.4
98.97581	14.3
99.04453	3.0
103.03962	1.9
103.05463	2.8
105.06392	2.7
105.07033	35.1
107.04919	5.7
107.08596	33.7
109.06462	8.2
109.10171	18.3
110.97565	2.4
111.04435	3.6
111.08050	6.7
112.07569	2.9
115.03912	3.0
115.05415	4.0
116.98572	5.6
117.07020	19.3
119.04889	2.4
119.07819	2.2
119.08584	32.7
121.02903	2.6
121.06512	12.9
121.09341	2.8
121.10153	37.0
123.04390	4.4
123.08021	4.9
123.11694	4.4
125.05936	2.6
125.09615	6.8
127.03882	2.0
128.06203	3.4
129.07007	11.7
130.05028	2.3
131.04886	3.2
131.08566	31.5
133.06425	3.1
133.10146	22.0
135.04366	8.6
135.08022	6.0
135.11694	17.2
137.02322	4.5
137.05898	1.8
137.09576	4.5
138.00752	1.8
139.03908	17.2
139.11111	2.4
140.77113	1.7
141.06944	5.4
142.07712	3.1
143.08562	19.4
143.10574	1.7
145.10126	35.5
147.04375	2.0
147.08008	7.4
147.11697	16.1
149.09616	24.2
149.13269	2.6
151.03870	3.7
151.11151	2.8
155.03339	2.5
155.08574	17.2
156.09282	2.5
157.10135	17.7
158.99635	8.9
159.11696	14.3
161.05959	2.9
161.09598	5.3
161.13245	6.5
163.03926	15.2
163.11223	9.6
165.05434	2.4
167.07019	3.4
167.08527	5.0
168.00514	7.6
169.10135	16.6
171.11623	13.9
173.09572	6.6
173.13293	12.7
175.11185	4.4
175.14836	2.9
177.00711	5.0
177.05426	5.6
177.12782	2.6
179.08597	3.2
181.06480	3.1
181.10127	12.0
181.12152	4.6
183.11685	18.6
185.13164	13.9
186.01570	2.9
187.07607	2.5
187.11201	3.6
187.14830	4.7
189.05495	4.0
189.12704	5.9
191.03438	17.1
191.10654	3.4
191.14212	3.2
193.10098	2.7
194.10970	3.0
195.08731	2.5
195.11688	12.1
197.13271	12.5
199.11035	2.6
199.14801	7.3
201.12604	2.1
203.14290	2.2
207.11879	2.0
207.13805	4.8
209.07892	2.6
209.11551	10.4
209.13457	12.3
211.14714	5.4
213.12682	3.5
213.16304	5.8
214.08522	5.3
217.04994	2.5
219.01709	8.5
223.14761	11.9
225.16377	9.8
227.12576	3.8
227.14494	3.1
227.17950	5.2
237.02661	3.2
237.16437	13.2
239.17859	7.7
241.15941	8.8
241.19406	2.4
243.17505	2.5
253.19389	6.2
255.11290	4.2
255.13773	2.9
255.17372	10.7
255.21100	14.8
257.18900	6.2
258.05057	3.5
259.05981	4.2
265.16351	2.5
265.19571	33.7
271.20483	4.8
273.07504	3.0
273.22104	4.2
280.10651	20.8
280.60730	9.3
281.11118	2.2
283.06064	2.8
283.15329	5.8
283.17020	8.0
283.20526	93.2
285.03809	7.4
286.04739	57.7
301.03522	4.6
301.07111	80.7
301.10669	10.7
301.14047	4.9
301.17761	19.0
301.21512	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	301.2163
Annotation	SCHEMBL18714031
Peak:m/z	Relative Intensity
50.17878	0.7
51.61150	0.6
53.03935	1.5
55.01856	1.7
55.05503	6.3
56.52877	0.6
56.96562	5.4
57.03434	3.8
57.07067	0.9
67.05508	16.2
68.99784	0.9
69.03426	2.0
69.07062	6.5
71.04969	2.1
73.02896	0.8
79.05494	17.2
81.03426	3.7
81.07061	24.0
83.04964	3.3
83.08606	2.9
85.02888	2.1
85.06535	1.4
87.04469	0.8
91.04915	0.7
91.05482	15.2
93.07040	21.6
95.04969	3.5
95.08606	18.2
97.02882	2.4
97.06532	4.1
97.10146	2.2
98.09710	0.7
98.97584	5.0
99.08141	0.7
105.07032	21.6
107.04955	2.0
107.08598	16.2
109.02869	0.7
109.06516	2.7
109.10168	9.5
111.08086	1.8
111.47092	0.8
112.99133	1.8
115.05457	1.3
115.07602	0.7
116.98629	2.4
117.07013	7.8
119.01820	1.2
119.04951	1.0
119.08591	12.8
121.02984	0.7
121.06504	2.6
121.10136	12.2
123.08074	5.1
123.11671	1.4
125.09623	1.4
128.06216	0.9
128.98605	0.8
129.05482	0.8
129.07005	6.5
131.00151	3.5
131.04857	0.7
131.07597	1.2
131.08571	20.3
133.06551	1.2
133.10144	11.6
135.04460	1.1
135.08052	7.1
135.11697	6.0
137.02370	1.2
137.09596	0.7
139.03952	0.8
139.11226	0.9
140.01038	1.0
141.06985	2.8
142.07761	2.2
143.08563	11.1
144.09352	1.2
145.06343	0.8
145.10121	21.1
147.08041	1.5
147.11703	8.2
149.01201	6.1
149.05957	0.8
149.09605	10.9
149.13252	2.5
153.06978	1.9
155.06076	0.7
155.08513	5.3
156.03557	1.8
156.09238	1.0
157.10120	13.2
158.99635	1.4
159.08069	1.6
159.11681	12.5
161.01242	1.0
161.09550	2.0
161.13271	6.4
163.03929	1.6
163.11183	2.2
165.05576	0.9
165.06987	1.7
167.02266	1.6
167.08531	1.6
168.00542	3.1
169.01306	0.9
169.10100	6.1
171.11700	7.1
172.07500	0.9
173.09511	1.4
173.13246	10.5
175.11151	2.2
175.14830	2.0
177.00728	1.4
177.12761	1.7
181.06468	1.8
181.08069	0.7
181.10109	4.3
183.11691	9.7
185.13251	7.9
186.01607	1.4
187.07487	0.9
187.14815	3.9
189.12758	1.6
189.16377	1.1
191.03482	6.3
191.10632	1.0
191.14241	2.1
193.12289	2.2
194.10921	1.0
195.11722	5.8
197.13275	4.6
198.06715	0.9
199.14830	9.4
201.09183	0.9
201.12752	2.4
201.16376	3.0
203.07135	1.1
203.14275	2.0
205.08435	0.7
209.13298	4.8
211.09872	0.9
211.14848	3.7
213.05551	0.9
213.16331	3.9
215.06973	0.9
217.15895	2.0
219.01718	0.9
220.10376	4.5
222.36353	0.8
223.14870	6.2
224.15604	1.1
225.16391	4.2
227.14417	1.9
227.17896	3.5
229.05238	0.8
229.07419	2.2
235.08997	1.9
237.08817	2.8
237.16306	4.6
239.17889	4.6
241.04807	1.0
241.08635	1.5
241.15929	1.9
241.19466	2.5
243.17422	1.4
244.09622	23.3
244.59755	3.5
245.15413	0.8
247.08461	0.9
253.19490	1.7
255.08946	1.2
255.13646	1.1
255.17772	1.4
255.21092	21.7
257.18863	3.8
258.05194	1.7
259.06036	1.2
259.16815	2.2
259.20731	0.8
264.61014	1.2
265.19531	13.8
269.07956	1.6
269.10559	2.1
271.20490	2.0
273.10037	1.1
273.22150	2.9
283.20560	38.0
285.03854	5.4
286.04736	31.9
286.07538	0.6
286.08047	1.0
292.12543	1.6
301.03513	1.6
301.07162	40.2
301.10571	7.7
301.14124	5.7
301.21597	100.0
302.21689	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.1647
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	2.4
55.01872	16.8
55.05514	25.3
56.96568	2.2
57.03435	24.6
57.07061	1.7
60.96686	1.8
61.02951	1.6
65.03970	1.9
67.05503	30.8
69.03435	5.9
69.07065	12.6
70.06585	1.9
71.04989	4.5
71.53094	2.1
73.02914	7.2
79.05498	34.4
81.03404	8.3
81.07062	38.8
82.04193	2.9
83.04987	12.7
83.08632	11.9
84.26150	1.8
85.02882	2.5
85.06533	2.0
91.05475	22.8
93.07048	45.0
95.04974	10.3
95.08610	40.9
97.02889	5.1
97.06518	9.4
97.10159	10.0
97.72598	1.7
98.07314	4.0
98.97575	13.7
99.04476	3.6
105.07028	20.5
107.04984	10.9
107.08597	35.2
108.88214	2.0
109.06561	3.9
109.10143	10.5
111.04440	4.0
111.08096	4.6
116.04702	14.9
116.98664	1.9
117.07086	10.2
119.04964	2.1
119.08594	19.6
121.06516	6.7
121.10155	14.9
123.04456	3.5
123.08065	5.0
125.06008	2.5
125.09613	10.8
127.16257	1.7
129.05492	36.1
129.07014	5.0
130.07796	2.6
131.08594	12.5
131.56104	2.3
133.10143	12.4
135.04431	4.2
135.08046	4.6
135.11696	43.9
137.02325	2.7
137.05946	1.9
137.09651	2.2
141.06946	3.2
143.07042	9.0
143.08546	4.9
145.10127	31.9
147.08041	2.4
147.11708	10.5
149.06041	2.3
149.09592	4.0
153.07028	3.8
155.08566	2.9
157.08617	14.7
157.10118	6.7
158.99687	5.2
159.11725	6.4
163.03902	3.0
163.11185	45.3
165.06944	1.6
168.00558	3.2
169.10124	2.6
171.10172	3.5
171.11646	2.9
173.13300	6.2
177.00652	2.4
181.06526	3.5
181.12292	10.5
185.13220	2.6
186.01723	2.1
189.11221	10.3
189.12717	2.4
191.03415	6.1
197.13278	3.0
199.13228	2.8
199.14854	4.7
200.14035	5.5
209.11633	2.3
213.16470	2.2
219.01772	2.6
225.16451	2.9
227.12779	100.0
241.08577	2.8
255.11018	1.9
255.21068	10.0
258.05270	2.8
265.19708	4.1
283.15402	40.1
283.20355	15.3
285.03973	5.5
286.04730	39.6
301.03543	3.1
301.07083	46.7
301.10739	16.3
301.16486	30.8
301.21518	24.1
309.11581	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	300.1081
Annotation	anthraniloyl-O-glucose
Peak:m/z	Relative Intensity
52.62374	0.4
52.74588	0.4
53.02618	0.3
55.05501	0.3
56.96567	2.2
59.04984	1.4
61.02911	0.4
65.62292	0.3
68.05013	0.4
69.03419	0.9
70.06600	2.1
71.51898	0.4
72.08145	1.1
79.05478	0.4
83.05000	0.4
84.04496	0.4
84.08140	1.0
85.02887	0.8
86.09698	0.9
89.03910	1.6
89.06017	0.8
91.05447	0.6
92.05003	0.5
93.07042	0.4
94.06567	2.0
96.04471	0.4
97.02873	0.5
98.97587	1.3
103.05462	0.8
107.04980	0.5
110.06045	1.1
110.07146	0.7
116.07109	0.5
116.98615	0.4
117.03361	0.9
119.04929	0.4
120.08121	0.5
121.06519	3.7
121.08614	2.4
122.02766	0.4
124.03893	0.7
124.99110	0.5
131.04924	2.3
133.06458	0.3
135.04407	2.9
135.18259	0.3
136.06223	0.9
138.05496	100.0
143.00194	0.5
145.02856	1.5
149.00493	0.4
152.07098	0.5
163.02568	0.6
163.03899	8.8
163.07553	0.7
164.04227	0.7
167.04556	0.5
168.61337	0.4
179.03307	0.5
195.01120	0.9
214.28450	0.4
219.17697	0.4
236.10461	0.4
249.02840	0.6
254.00842	0.7
267.03812	0.5
268.13181	0.5
282.13406	1.0
286.04749	0.9
300.05835	0.5
300.10748	0.7
300.14713	2.1
300.19736	0.7
301.06982	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.237
Annotation	3-Methyl-19-nor-17alpha-pregna-1,3,5(10)-trien-17-ol
Peak:m/z	Relative Intensity
50.33799	1.9
55.05509	11.7
56.96554	3.6
57.03426	2.4
57.07074	2.4
67.05504	18.8
69.07062	8.1
71.04991	8.7
71.17258	4.3
79.05490	17.9
81.06583	4.6
81.07058	74.8
83.08620	8.4
85.06544	52.2
91.05476	18.6
93.07040	38.2
95.08605	36.4
96.61360	2.0
97.10182	3.6
98.97585	3.4
105.07037	43.7
107.08601	31.4
109.10170	20.1
113.09682	2.2
117.07016	7.1
117.29828	2.3
119.08585	31.5
121.10139	22.9
123.11655	5.9
128.06233	3.0
129.06993	10.0
131.08562	52.4
133.10107	24.9
135.11696	26.3
137.09618	4.6
141.06940	2.2
142.07774	6.3
143.08557	14.9
145.10115	31.0
147.11696	38.0
149.09621	2.5
149.13274	21.2
151.11197	4.1
155.08580	12.3
156.09380	5.0
157.10109	20.8
159.11688	46.2
161.13264	60.8
163.11143	3.4
163.14854	4.1
165.12717	4.6
169.10147	8.1
171.11674	29.7
173.13252	14.8
175.11172	3.6
175.14819	18.8
183.11693	28.2
185.13255	20.5
185.23273	2.0
187.14879	5.7
189.12740	24.2
197.13283	12.6
199.14798	16.4
201.16431	5.7
203.14284	4.4
211.14857	22.7
213.16351	3.9
215.18018	5.0
217.15906	6.4
225.16397	23.2
239.18036	3.4
241.19542	5.1
253.19485	54.4
255.21074	10.6
257.22714	3.6
267.09143	6.0
267.12033	4.9
281.22632	100.0
299.20062	72.6
299.23706	82.5
299.27182	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	299.2008
Annotation	3-Methoxy-5,10-seco-5,19-cycloandrosta-1(10),2,4-trien-17-one
Peak:m/z	Relative Intensity
52.43395	0.4
53.03947	1.4
55.01869	1.8
55.05513	2.5
56.96560	0.6
57.03435	0.8
57.03766	0.4
57.07066	0.8
57.12700	0.5
62.13085	0.4
64.63756	0.4
67.05508	6.3
69.03435	0.7
69.07051	2.0
70.08955	2.0
71.04960	0.6
71.08621	0.4
79.05491	7.7
79.89291	0.4
81.03419	28.3
81.07058	12.3
83.05003	1.1
83.08602	1.1
91.05484	11.1
93.07044	10.5
95.04977	12.3
95.08000	0.5
95.08607	8.1
97.06528	1.5
97.10190	0.6
98.97610	0.7
100.08974	0.5
105.07035	17.0
105.44669	0.4
107.04942	1.3
107.08604	9.5
109.06509	1.7
109.10156	2.1
111.08054	0.5
115.05445	0.6
117.07010	3.9
119.08594	9.0
121.06498	5.8
121.10146	4.6
123.08067	2.1
128.51501	0.5
129.07010	2.9
131.08562	8.8
133.06483	4.0
133.10088	3.3
135.08052	3.7
135.11705	1.5
137.09636	0.8
137.13260	1.5
141.07004	1.5
142.07744	0.5
143.08560	3.2
145.06451	0.8
145.10127	5.5
147.08060	8.6
147.11696	14.4
149.09636	6.6
149.13277	0.6
151.11218	0.8
155.08539	1.9
157.10115	3.8
159.08083	1.1
159.11694	3.2
161.09605	1.7
161.13309	1.2
163.11275	0.7
165.12755	3.0
167.08571	1.2
169.10170	2.9
171.11693	2.6
173.09621	1.4
173.13298	1.5
175.11177	1.1
180.09041	0.4
181.10141	1.4
183.11729	2.7
185.09657	0.8
185.13293	1.7
187.11189	1.4
187.14853	5.9
189.12837	0.5
193.10098	1.0
195.11697	1.6
197.13261	3.2
199.11180	0.8
199.14763	2.6
201.12820	0.5
207.11740	1.3
209.13182	1.1
211.14775	1.0
217.15881	2.1
221.13286	1.7
222.14172	0.5
223.14804	1.1
225.12784	0.6
225.16399	2.0
229.15808	0.6
235.14833	1.1
237.16351	1.2
239.14511	0.5
239.17923	0.9
243.17459	1.2
253.15860	1.5
253.19571	2.6
257.15579	0.6
263.17960	3.4
266.16452	0.5
267.09027	1.1
267.11813	1.2
271.20645	0.6
279.49564	0.5
281.18991	15.4
281.22079	0.8
281.26624	0.7
285.10132	1.2
299.20065	100.0
300.20337	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.2005
Annotation	Vitamin A2 acid
Peak:m/z	Relative Intensity
52.83325	2.2
53.03934	5.2
55.01858	3.5
55.05510	12.1
56.00645	1.9
56.96552	5.6
57.03427	5.0
57.07058	4.5
59.08752	2.3
59.35667	2.2
67.05508	22.0
69.03421	9.2
69.07056	10.0
71.04990	2.2
71.73521	2.2
79.05503	13.6
81.05537	2.1
81.07054	20.3
83.04958	6.1
83.08610	10.9
85.06544	4.7
89.72966	2.3
91.05484	20.0
93.07042	19.5
95.04968	27.0
95.08595	17.5
97.02867	3.5
97.06531	4.2
97.10173	3.7
98.97601	5.7
99.00827	4.8
103.05521	3.2
105.07023	22.2
107.08583	25.1
109.06541	11.7
109.10167	16.4
111.04420	3.7
111.08064	3.8
116.98607	3.9
117.07019	8.6
119.08581	35.8
121.06474	6.4
121.10131	23.1
123.08057	3.0
123.11771	3.0
125.05939	2.7
128.06210	3.2
129.07007	5.4
130.07738	3.5
131.08565	12.3
133.10120	22.8
135.08061	10.3
135.11687	6.6
137.05957	2.4
137.09680	4.2
139.07494	2.5
141.16470	2.3
142.07843	2.8
143.08563	14.5
144.09367	3.9
145.06514	2.4
145.10109	27.9
147.08150	2.4
147.11687	7.9
149.09596	4.2
149.13278	4.2
151.11186	4.0
155.08553	6.0
156.09352	6.4
157.10155	15.8
158.10933	3.0
159.08131	5.7
159.11717	17.1
161.09622	11.0
161.13243	5.9
163.11226	3.1
168.09308	2.5
169.10106	9.4
170.10869	3.6
171.11690	13.5
173.09618	5.7
173.13295	13.5
175.11209	4.0
175.14754	3.0
177.09027	3.1
179.10704	4.6
181.10164	3.4
182.10889	4.7
183.11708	10.0
185.09576	2.8
185.13237	11.1
187.11279	3.1
187.14926	3.3
189.09177	2.7
189.12704	3.5
191.10683	4.0
193.10155	4.4
197.11658	2.6
197.13249	13.5
199.11115	4.1
199.14801	11.8
211.11148	7.8
211.14871	5.8
213.16295	2.8
215.14433	3.9
223.14795	4.0
225.12752	9.4
229.07536	2.9
239.17973	5.7
241.15897	4.8
243.13863	8.9
253.19554	24.1
257.18997	6.7
260.68265	2.5
263.17978	6.7
267.09311	4.4
267.12048	13.5
281.19022	23.2
285.09952	2.5
299.05667	3.3
299.09286	3.2
299.14828	15.7
299.20065	100.0
299.23557	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	299.1854
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	9.7
55.01867	4.4
55.05515	27.6
56.96566	5.1
57.03427	10.5
57.07069	3.0
59.05012	2.6
61.81188	2.6
67.05509	64.7
69.03431	5.8
69.07074	20.6
69.86069	10.3
71.04972	6.9
73.06564	2.8
79.05501	87.4
80.41166	2.4
81.03432	12.7
81.07066	56.3
83.04990	18.8
83.08629	14.9
85.02883	3.6
85.06532	2.6
91.05486	71.0
93.07050	100.0
93.40432	2.4
95.04978	18.0
95.08608	33.5
97.02888	2.8
97.06519	10.1
97.10168	4.3
98.97561	2.5
105.07041	60.5
107.04973	6.7
107.08594	28.6
109.06474	8.8
109.10155	13.4
111.04427	3.3
111.08089	5.6
117.07017	10.6
119.01862	2.5
119.08593	38.2
121.06481	6.9
121.10179	13.7
123.08109	12.1
123.11678	3.5
127.07552	2.6
128.06219	4.7
129.07016	25.6
131.08557	10.9
133.10126	19.0
135.11702	4.4
137.02359	8.7
143.08562	10.2
145.10132	18.5
147.08044	4.3
147.11691	50.4
149.09610	3.1
149.13196	2.7
151.11183	3.8
157.10190	4.7
159.11661	6.1
161.09657	7.1
161.13268	23.5
169.10234	3.4
171.11696	42.2
173.13214	3.1
177.12933	2.9
179.16277	2.8
183.11708	3.5
185.13214	3.0
189.12776	17.8
195.09947	6.9
199.14774	3.5
207.13828	31.4
209.11459	5.7
253.19531	5.3
256.07346	11.5
257.72998	2.7
267.12045	9.9
281.17474	96.2
284.06705	8.0
299.05801	5.6
299.09055	36.9
299.14825	10.6
299.19928	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	299.149
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00311	14.3
53.03938	5.2
55.01854	5.8
55.05268	2.9
55.05513	36.6
57.03435	27.1
57.07056	3.6
59.04986	3.7
60.50095	2.4
67.05502	25.2
69.03426	3.6
69.07061	6.4
71.01343	6.5
71.04990	2.9
79.05505	18.6
81.03397	6.3
81.07050	37.3
83.04955	4.9
83.08616	28.8
85.06532	3.6
91.04971	4.3
91.05486	44.4
93.07044	24.4
94.44169	2.9
95.04958	7.3
95.08603	9.1
97.02890	5.4
97.06522	7.2
98.20706	5.5
99.00815	44.2
99.04457	3.1
103.05437	3.1
105.07031	29.3
107.04928	9.4
107.08597	17.9
109.02870	22.2
109.06495	4.8
109.10158	9.4
111.04408	3.5
111.08085	5.9
115.03912	5.9
117.06972	7.3
119.04947	3.2
119.08568	20.8
121.06528	16.2
121.10115	3.6
123.04393	3.2
123.11729	3.5
127.03893	4.6
131.08559	4.1
133.10130	70.3
135.08040	3.8
135.11713	3.2
137.06003	3.1
139.07524	4.2
143.08531	7.9
147.08098	2.4
151.11172	24.3
161.09625	43.7
165.09135	3.1
171.08064	9.6
179.10693	29.1
183.89368	2.5
189.09113	20.9
197.11786	8.8
199.75714	2.3
207.10152	10.8
225.11206	38.6
243.12314	5.1
267.12143	7.5
299.14877	100.0
299.23724	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.149
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00312	13.9
53.03936	6.1
55.01864	8.2
55.05516	44.5
57.03440	30.7
57.07066	2.3
59.04994	5.8
67.05507	31.9
69.03410	3.1
69.07061	4.6
71.01337	5.6
71.04978	3.8
73.02914	3.5
79.05491	19.7
81.03413	10.0
81.07062	38.1
83.04988	7.5
83.08621	23.5
85.02913	2.0
85.06561	3.2
91.05486	38.6
93.06487	2.2
93.07050	27.9
95.04983	8.8
95.08608	10.6
96.77772	1.3
97.02898	9.1
97.06553	7.4
97.10153	3.1
99.00821	50.7
99.04436	2.9
103.05461	3.8
105.07033	31.9
107.04962	9.7
107.08591	13.1
109.02879	18.9
109.06512	6.3
109.10152	11.8
111.04462	3.2
111.08078	6.2
115.03922	8.4
117.07008	6.6
119.04857	1.5
119.08569	17.5
121.02810	2.4
121.06507	13.6
121.10191	1.5
123.04410	3.4
123.08035	3.3
123.11710	4.3
123.84280	1.7
125.09634	1.6
127.03917	6.0
128.06250	2.2
129.07010	2.0
131.08574	4.2
133.06525	2.4
133.10133	66.7
135.08014	4.7
135.11737	1.6
137.05931	2.1
139.07536	6.0
139.63319	1.6
141.05463	2.9
143.08623	7.8
147.08047	2.6
151.11172	21.3
161.09616	38.6
163.11224	1.5
165.09087	2.2
171.08037	7.3
179.10710	27.4
189.09120	23.4
197.11725	11.9
207.10135	10.6
225.11241	44.5
243.12318	8.1
267.12027	3.0
299.14896	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	299.149
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00309	11.5
53.03944	4.3
55.01876	8.4
55.05515	38.5
57.03439	26.4
57.07064	1.6
59.05006	6.0
62.59721	1.0
67.05508	25.6
69.03423	3.5
69.07076	3.8
71.01350	6.4
71.04976	2.0
73.02912	2.5
79.05490	16.9
81.03424	10.0
81.07059	34.7
83.04990	4.8
83.08623	23.7
85.06593	1.8
91.05484	38.0
93.07043	30.7
95.04964	8.7
95.08621	9.2
97.02901	8.8
97.06532	6.7
97.10170	2.7
99.00822	51.5
99.01470	2.6
99.04440	1.8
101.02373	1.3
101.90969	1.0
103.05470	3.4
105.07037	31.6
107.04957	11.4
107.08607	14.9
109.02229	1.9
109.02893	21.1
109.06532	6.7
109.10176	11.0
111.04456	2.5
111.08085	8.9
113.05976	1.2
115.03931	5.7
115.05468	1.2
117.07019	6.1
119.06171	1.1
119.08590	16.0
121.06512	14.1
121.10121	1.3
123.04434	2.6
123.08116	1.7
123.11720	4.6
125.02388	1.1
127.03924	4.3
128.06239	3.9
129.07037	1.7
131.08545	2.7
133.06517	3.2
133.10136	72.0
135.08105	1.8
135.11685	2.4
137.05974	2.2
137.09618	3.0
139.07530	6.4
143.08559	9.1
145.06497	2.0
145.10144	1.2
147.08041	2.0
151.11200	23.9
153.07007	1.6
161.09616	40.7
163.11208	2.2
165.09180	3.0
171.08093	8.1
179.10677	30.1
189.09111	26.0
197.11732	12.7
207.10146	12.4
225.11215	41.7
243.12285	8.0
267.11938	1.3
289.41138	1.2
299.14886	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	299.1467
Annotation	Unknow
Peak:m/z	Relative Intensity
53.79180	0.6
67.05502	1.5
69.07047	0.9
70.70579	1.5
79.05499	1.3
81.07041	1.2
83.08617	0.7
91.05476	1.1
93.07036	2.0
95.04964	0.9
105.07014	1.0
105.95496	0.7
107.08617	1.3
107.46641	0.6
114.37688	0.6
119.08581	1.1
121.06498	0.9
121.10154	0.8
126.13361	0.7
131.17262	0.6
137.02339	1.0
147.11659	0.7
195.09937	100.0
196.10416	0.6
201.31621	0.6
244.99602	0.6
267.12054	1.0
299.05865	0.8
299.14838	4.9
299.19977	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.1256
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39385	2.5
52.93174	2.6
53.03932	2.9
55.01900	2.6
55.05500	6.3
56.96564	27.3
57.03438	4.6
59.05011	4.6
61.02930	4.7
61.63039	2.9
63.93711	2.5
67.05499	13.4
69.03436	5.7
69.07064	6.0
70.06576	4.9
71.04983	5.5
71.95216	2.7
72.04521	4.2
72.08150	5.3
73.02908	3.7
79.05480	8.6
81.03419	7.9
81.07050	14.8
82.02943	3.3
83.04985	3.8
83.08608	3.9
85.02914	5.4
85.06511	2.7
91.05493	10.6
93.07039	13.4
95.04980	6.5
95.08589	8.5
96.04465	2.9
97.02889	8.6
97.06509	3.7
98.97597	7.2
99.04427	3.0
105.07024	8.7
107.04948	4.1
107.08595	8.7
109.02879	2.7
109.10165	10.1
117.03436	2.6
117.06999	3.0
119.08584	7.9
121.06512	3.2
121.10126	5.8
123.04419	3.1
127.03983	3.6
129.07028	4.1
131.08568	5.0
133.10085	6.2
137.02324	29.1
137.05984	5.0
139.03914	5.1
142.05016	3.1
142.07916	2.6
145.10144	5.0
147.07979	3.5
147.11699	4.4
149.09665	4.0
155.03510	4.3
157.01706	3.0
157.10118	3.8
159.11758	3.1
163.03915	5.3
167.08647	2.8
185.04866	10.8
195.02936	5.6
199.06627	3.1
203.05988	7.8
211.06471	3.4
223.06357	2.7
229.07372	13.2
229.34387	3.6
247.08426	4.9
249.08136	8.6
257.04517	2.8
267.09070	100.0
267.12033	8.8
271.05515	3.1
273.09860	2.9
281.13455	3.8
281.18988	4.5
285.10086	85.5
290.10602	5.0
299.05057	22.1
299.09058	3.9
299.12152	44.1
299.20181	16.4
308.11667	5.1
317.12723	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	299.1126
Annotation	Picein
Peak:m/z	Relative Intensity
50.19354	0.5
55.01874	0.9
55.05503	0.6
56.64582	0.5
56.96547	0.9
57.03417	0.9
59.24160	0.6
65.06747	0.6
69.03429	2.5
70.06587	2.1
71.51789	0.7
71.52158	0.7
72.08163	3.2
72.79539	0.6
79.05501	0.7
81.03415	2.3
81.07063	1.9
84.08141	0.8
84.87497	0.5
85.02923	2.2
86.09721	1.3
87.04469	0.8
91.05460	1.4
91.44082	0.6
93.07026	0.8
95.08625	1.1
97.02878	1.8
98.97621	0.7
105.03378	1.6
105.07008	0.9
107.08601	1.1
109.02884	1.5
109.06538	0.6
119.08601	0.8
127.03928	0.7
131.08490	0.7
137.02370	15.9
137.05980	100.0
141.07018	0.9
147.04352	0.6
149.05981	0.8
155.03505	1.4
163.03876	5.4
164.10779	0.8
175.07610	1.0
197.05957	1.7
215.03358	0.8
217.03835	1.0
225.05565	4.6
225.36969	0.6
229.04950	0.9
243.06700	1.0
253.00337	1.1
253.05009	2.4
267.12079	2.1
271.03235	1.0
271.05991	5.9
281.04388	2.2
281.07013	0.7
281.18994	0.7
299.02063	1.6
299.05518	27.3
299.16916	1.1
299.19934	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.0915
Annotation	5,4'-DIMETHOXY-7-HYDROXYFLAVONE
Peak:m/z	Relative Intensity
55.05486	0.3
56.96546	0.3
67.05475	0.5
69.07051	0.2
69.77868	1.0
73.02847	0.2
78.76023	0.2
79.05458	0.3
81.07026	0.5
83.08614	0.2
91.05454	0.3
93.07026	0.3
95.04987	0.2
95.08627	0.4
98.97568	0.4
105.07005	0.4
105.88065	0.2
107.08600	0.4
109.10158	0.4
124.01555	0.6
133.06471	1.0
135.04407	0.3
142.07645	0.2
143.08478	0.2
147.11610	0.2
159.04384	0.3
165.69138	0.2
167.03412	1.6
197.05984	0.5
201.05450	0.3
211.07478	0.4
211.14897	0.3
213.05630	0.3
215.17906	0.2
227.07014	0.5
239.06860	0.2
241.04878	0.3
256.07303	32.8
257.07736	0.3
257.67673	0.3
258.18103	0.2
266.67844	0.2
267.09076	0.5
267.12143	0.7
284.06793	15.5
285.10043	0.4
285.96417	0.2
299.09137	100.0
300.09451	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	298.0969
Annotation	5'-Deoxy-5'-(methylthio)adenosine
Peak:m/z	Relative Intensity
50.45053	0.2
57.03429	0.2
61.01154	5.6
69.03449	0.3
69.55990	1.4
70.06583	0.3
72.27988	0.2
75.02708	2.6
76.59491	0.2
94.04020	0.3
95.99446	0.2
97.02882	1.3
98.21486	0.5
103.02160	0.3
105.60642	0.2
110.95905	0.2
119.03569	0.6
122.43271	0.3
136.06189	100.0
137.04498	0.2
145.03212	1.6
163.04276	1.8
254.13788	0.5
266.11835	0.7
298.09656	4.7
308.21912	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.2426
Annotation	(plusmn)12(13)-EpOME
Peak:m/z	Relative Intensity
55.01875	2.4
55.05514	10.1
56.96564	3.4
57.03432	2.8
57.07065	6.2
67.05505	31.9
69.07073	14.0
70.96120	3.9
71.05011	2.5
71.08636	100.0
71.24956	1.9
79.05499	15.6
81.06592	2.5
81.07066	45.1
83.04975	4.3
83.08626	10.1
91.05495	13.3
93.07049	14.5
95.08611	30.9
97.06518	5.4
97.10168	6.5
99.08100	75.8
105.07048	13.0
107.08593	9.1
109.06501	2.6
109.10160	15.0
111.08053	4.1
113.09651	3.8
117.09122	2.1
119.08606	11.6
121.10160	14.0
121.68048	2.1
123.11702	8.1
127.11149	2.2
130.91083	1.8
131.08556	5.7
133.10071	2.0
135.11736	9.9
137.13257	3.5
141.09161	2.2
145.10129	5.6
147.11705	42.6
149.13272	2.9
153.12759	9.4
158.03792	1.7
159.11731	2.0
161.13272	4.0
163.11189	6.1
163.14851	16.3
165.12775	14.3
167.14331	6.0
169.12187	2.7
173.13287	4.0
177.16301	3.2
181.15913	8.4
233.22719	2.9
234.16347	2.2
243.21120	12.2
251.23717	2.0
256.15775	2.8
261.22125	20.2
279.23218	75.3
297.24219	6.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.2425
Annotation	(plusmn)12(13)-EpOME
Peak:m/z	Relative Intensity
53.03948	2.1
55.01873	7.4
55.05511	60.5
56.96577	1.7
57.03429	7.2
57.07077	13.0
57.49834	1.8
59.05005	2.0
65.03957	1.9
67.05512	77.0
69.03428	6.1
69.07073	58.4
71.01369	2.6
71.04997	4.4
71.08633	12.0
71.22039	3.3
74.16528	1.8
79.05495	33.5
81.07062	85.0
83.04974	8.0
83.08619	33.1
85.06551	5.0
91.04994	2.1
91.05473	12.0
93.07042	30.3
95.08617	66.5
97.06536	12.6
97.10175	44.2
99.08113	10.2
103.76543	2.5
105.07036	7.0
107.08598	37.5
109.06487	3.3
109.10168	46.7
111.08104	3.8
111.11760	4.5
113.09650	3.2
117.07025	5.3
119.08553	6.4
121.10150	13.7
123.08043	3.1
123.11707	14.7
125.09638	32.2
125.13218	2.2
131.08594	4.1
133.10127	7.6
135.08034	4.1
135.11696	26.4
137.09583	2.0
137.13274	8.6
141.12711	2.8
145.10158	5.6
147.11714	6.7
149.13264	6.8
151.14842	3.4
153.09113	4.4
153.12770	12.9
155.10788	2.1
159.11707	3.0
161.13297	5.7
163.11189	4.0
163.14827	6.3
165.12787	2.9
167.10699	1.9
167.14349	2.6
169.15863	3.7
171.10204	5.4
173.11768	4.9
173.13275	4.9
175.14818	3.9
177.12688	2.8
177.16365	2.8
179.14334	3.7
181.15910	2.7
183.13803	38.9
187.14923	4.9
189.11208	23.4
195.13812	3.3
209.15425	3.1
223.16910	2.1
233.22627	5.3
243.21121	14.6
251.23721	6.2
261.22113	28.7
279.23212	100.0
297.24191	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	297.185
Annotation	3-Methoxy-D-homoestra-1,3,5(10),8,14-pentaen-17abeta-ol
Peak:m/z	Relative Intensity
50.41925	0.8
53.03938	2.7
55.01865	3.4
55.05504	3.3
56.96571	1.3
57.03427	2.7
64.10017	0.9
65.03920	1.0
65.09513	0.8
67.05509	10.1
69.03417	1.9
69.07065	4.6
70.06616	1.0
71.04987	1.5
71.52758	1.2
72.08160	1.1
79.05488	12.0
81.03429	4.4
81.07054	14.2
83.08611	1.1
85.02918	1.0
85.06544	1.1
91.05479	16.1
91.06019	1.2
93.07047	16.7
95.04964	9.0
95.08605	11.2
97.02899	2.7
98.97609	5.1
103.05470	2.8
105.04536	1.0
105.07046	10.5
107.04957	20.8
107.08585	7.9
109.06514	7.2
109.10168	8.0
113.45229	0.7
115.05445	1.7
117.03367	1.0
117.07019	5.3
119.04934	0.9
119.08579	9.0
121.06499	34.6
121.10138	3.7
123.04450	1.0
123.08072	3.5
123.11703	1.9
125.09644	1.6
127.11254	1.1
128.06212	1.9
129.07037	5.8
130.07794	0.9
131.04933	35.0
131.08578	6.8
133.06516	4.6
133.10127	5.9
135.04396	5.7
135.08052	2.5
135.11708	5.4
141.06935	1.9
142.07759	1.2
143.08577	8.3
145.02905	1.2
145.06494	10.2
145.10130	8.7
147.08052	7.8
147.11732	4.6
149.09715	1.1
149.13272	1.3
153.12701	0.9
154.07825	0.9
155.08577	4.6
157.06473	8.6
157.10139	4.4
158.99654	0.9
159.08047	4.5
159.11705	2.0
161.09657	2.8
161.13229	2.1
163.03902	7.1
163.11205	0.9
164.04268	1.4
164.15689	1.0
165.04388	1.1
165.06989	1.8
167.08549	3.0
169.06496	1.3
169.10150	4.5
171.08020	5.4
171.11708	3.2
173.09615	3.7
173.13263	1.2
175.07574	1.2
175.11186	1.3
175.14914	1.6
179.08652	1.4
181.06989	0.8
181.10149	3.8
183.08076	7.4
183.11720	3.5
185.09589	4.6
185.13257	3.2
187.11198	3.0
189.12854	1.2
193.10078	1.6
195.08098	3.1
195.11703	4.0
197.09570	2.7
197.13318	1.8
199.11174	2.9
199.14833	1.0
201.12801	2.3
203.08353	0.9
203.14470	1.1
205.10181	1.6
207.11752	1.8
209.09654	2.4
209.13240	3.2
211.14848	0.9
213.05548	1.5
213.12778	1.5
221.10780	3.5
221.13243	1.7
223.11154	4.7
223.14853	2.1
225.12756	1.4
226.03984	1.1
235.14807	1.3
237.12727	4.3
237.16495	1.1
239.14435	2.7
241.12283	1.8
241.15947	2.4
251.14362	2.9
251.17963	7.8
253.16100	1.2
267.17572	1.0
269.04541	1.0
269.10513	1.2
269.15521	1.4
269.19055	4.9
279.17450	42.5
279.23511	1.4
297.04068	5.0
297.11328	2.8
297.18527	100.0
299.06070	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.1851
Annotation	3-Methoxy-D-homoestra-1,3,5(10),8,14-pentaen-17abeta-ol
Peak:m/z	Relative Intensity
53.03934	2.8
53.44550	0.7
55.01861	3.1
55.05498	3.1
57.03414	1.2
57.07076	1.0
62.71953	0.8
66.52573	0.7
67.05505	9.8
69.03407	0.8
69.07059	3.3
69.97408	2.9
71.04967	1.6
78.18927	0.7
79.05494	12.6
81.03429	5.7
81.07058	13.9
83.04984	1.5
83.08604	1.2
84.64038	0.7
90.64813	0.7
91.05480	16.4
93.07055	15.9
95.02002	0.8
95.04433	0.9
95.04971	7.0
95.08611	13.0
97.02863	2.4
97.06525	1.6
98.97602	1.5
103.05456	2.5
103.58624	0.8
105.04517	0.9
105.07046	10.2
107.04962	15.5
107.08594	7.8
109.06516	5.3
109.10163	8.8
115.05420	1.3
117.07018	5.6
119.04939	1.7
119.08593	8.3
121.06503	31.7
121.10122	3.4
123.08098	3.7
123.11739	1.4
125.09678	0.7
126.04653	0.7
128.06192	1.6
129.07007	5.7
131.04929	56.7
131.08560	6.5
133.06479	6.1
133.10143	5.0
135.04413	2.6
135.08064	3.0
135.11687	5.8
137.09590	0.9
137.13269	1.0
141.06981	2.4
142.07787	1.5
143.08575	7.0
145.06479	9.3
145.10136	7.6
147.04416	1.6
147.08060	7.2
147.11667	3.4
149.05992	1.5
149.09622	1.2
153.06958	1.1
155.08586	5.6
157.06493	13.9
157.10097	5.2
159.08057	5.7
159.11690	3.5
161.05856	1.0
161.09648	1.6
161.13257	1.5
163.03851	1.7
163.11183	0.8
165.07013	1.7
167.08511	3.0
169.06531	3.6
169.10124	5.1
171.08057	7.1
171.11690	2.8
173.09601	3.9
173.13213	1.5
175.07568	1.2
177.05417	0.9
179.08565	1.7
180.09290	0.9
181.06520	2.6
181.10121	3.8
183.08044	11.0
183.11679	2.6
185.09645	5.3
185.13280	3.4
187.11223	1.5
191.08430	1.0
193.10141	1.9
194.07249	0.8
195.08038	2.0
195.11693	4.1
197.09677	5.0
197.13248	2.4
199.11179	3.0
201.12761	1.2
203.14323	2.3
207.11723	2.2
209.09639	4.3
209.13249	3.2
211.11128	1.4
211.14651	1.2
213.12749	1.7
215.14311	0.8
219.11722	1.5
221.10736	3.3
221.13260	2.9
222.14114	0.8
223.11229	6.7
223.14861	2.4
225.12790	2.2
233.13153	1.0
235.14836	1.2
237.12723	4.7
237.16418	1.2
238.05197	0.7
239.14336	2.1
241.15926	1.4
251.07138	0.9
251.14223	4.6
251.17879	4.8
261.16428	2.1
269.07843	1.0
269.19037	5.2
279.17444	47.1
297.03940	2.7
297.07553	2.7
297.18481	100.0
298.18872	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.0845
Annotation	Unknow
Peak:m/z	Relative Intensity
67.09142	0.3
93.43843	0.4
94.06579	2.3
104.10754	1.3
105.11102	1.4
108.08102	0.5
109.52805	0.3
116.04745	59.0
132.30360	0.4
132.98914	0.4
133.48656	0.4
160.03705	100.0
187.12387	0.9
194.52121	0.4
200.06062	0.5
206.57205	0.5
209.10510	0.5
253.09499	2.9
297.07547	0.6
319.27875	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.0933
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	0.7
55.05513	0.7
56.96568	4.4
57.03429	0.8
58.99855	1.7
60.95845	0.7
61.02911	0.9
67.05513	0.8
68.98281	2.3
69.03431	2.7
70.06589	1.9
70.98123	0.6
70.99841	1.1
71.11121	0.9
72.08139	1.1
73.02916	1.4
77.00906	1.2
79.05496	1.0
81.03407	1.6
82.01450	1.4
82.99863	2.0
84.08150	10.1
85.02910	3.3
86.03242	0.5
86.09687	0.9
86.99323	2.2
87.04472	0.6
89.03937	3.5
91.05440	0.8
93.03417	0.6
93.07014	0.6
97.02882	1.8
98.09711	2.7
98.97598	9.2
100.02501	4.0
100.05237	0.6
101.00887	19.6
102.96899	0.9
103.02437	1.4
105.00372	1.3
107.03427	0.5
107.04977	1.2
109.02885	0.6
110.07190	0.7
110.97569	2.2
111.02933	1.9
111.04472	0.9
113.00860	1.4
115.02396	1.6
115.03948	0.6
116.98653	3.5
117.03379	2.4
118.03544	1.1
119.01932	27.6
119.04974	0.7
121.06523	3.2
123.02999	0.6
124.03900	0.9
124.99108	0.6
127.02421	5.5
127.03934	1.6
127.05035	2.5
128.98592	2.1
129.03104	0.9
129.03987	10.7
130.08658	4.1
131.01923	2.8
131.96123	0.7
133.03445	2.3
134.99692	1.1
135.04356	4.3
136.06195	3.3
136.07576	1.2
137.00746	0.8
137.02307	14.6
137.05984	1.1
138.05495	5.4
138.09137	1.1
139.02414	0.7
141.03973	5.1
142.03499	1.3
143.00146	2.1
143.01917	0.8
143.11790	2.8
145.03558	13.4
146.99594	1.6
147.05081	6.1
150.04128	0.6
151.02409	4.8
152.05600	3.4
153.03973	13.7
155.01840	3.2
155.02977	0.6
156.97496	0.6
157.03473	2.3
158.99646	2.4
159.05031	4.0
160.10889	0.6
161.01268	0.6
161.02979	0.9
161.06543	0.7
161.12894	5.8
163.03893	20.3
163.08630	1.2
164.04289	1.7
164.05554	0.8
164.06981	0.7
167.01971	1.5
168.05086	1.3
168.06606	0.6
169.03474	38.0
170.06627	2.3
170.99638	1.1
171.05046	54.2
173.03001	5.3
175.04480	1.3
176.05597	0.8
177.00693	3.3
177.04134	0.7
179.01920	7.3
181.04909	0.8
182.03273	0.6
182.06685	1.5
185.02985	3.8
185.06590	0.9
187.04536	27.0
189.00784	3.1
189.02409	0.6
189.06075	6.5
191.03970	1.5
192.05008	3.4
194.06676	3.4
196.04578	2.7
197.02972	68.7
198.04732	0.6
200.04425	1.4
201.05284	0.7
202.00255	0.7
203.04001	1.9
205.05554	1.1
205.55664	0.7
206.57205	1.0
207.01840	1.0
207.05176	3.4
207.06973	0.8
208.04527	3.5
210.06030	2.5
211.04590	0.6
213.06096	0.8
214.05710	1.8
215.04016	100.0
216.04199	1.0
218.04408	0.6
219.01779	1.2
220.04530	4.3
221.03070	1.9
221.05081	0.8
226.05646	2.0
228.05354	1.5
233.05090	7.7
237.02744	1.5
237.06088	0.9
238.03209	1.1
238.05609	11.2
239.04083	1.2
249.02740	0.6
251.06163	1.5
254.94281	0.6
255.03798	1.5
255.07658	1.5
256.06683	28.9
257.05167	0.6
273.04721	0.8
274.07764	43.9
279.03833	3.5
279.08398	0.6
291.98367	0.9
292.08792	29.2
297.04810	2.7
297.08972	6.0
297.14441	13.5
297.17676	1.0
299.06113	1.7
315.10107	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	296.201
Annotation	Spirasine IX
Peak:m/z	Relative Intensity
51.02381	0.2
53.03948	1.8
53.22384	0.2
55.01868	0.4
57.77287	0.2
69.36179	1.8
77.03938	0.7
79.05465	0.2
81.03416	0.2
86.06061	0.3
91.05483	9.5
92.49447	0.2
93.07047	16.9
95.04980	2.2
103.05468	11.0
105.04515	1.2
118.06533	3.3
121.06506	100.0
122.06835	0.5
132.08047	1.0
133.08862	0.8
134.09607	0.3
146.09637	1.0
176.14349	64.1
177.14700	0.5
246.19691	0.2
296.20093	97.8
297.20422	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	296.1858
Annotation	Serratezomine B
Peak:m/z	Relative Intensity
55.01876	8.5
55.05518	3.0
56.05045	1.2
57.03437	1.2
57.91146	0.6
67.05508	5.5
68.05046	0.7
69.03429	1.4
69.07063	1.6
69.21873	0.7
69.22276	4.5
70.02949	2.5
70.06595	9.4
70.26871	0.5
71.04996	15.9
71.07363	0.5
79.05505	4.5
81.03411	0.7
81.07063	5.4
82.07362	0.7
83.04969	0.7
83.08597	0.9
84.08134	0.6
86.06055	1.2
86.09724	1.3
91.05476	2.6
93.07032	2.8
94.06567	1.6
94.07329	0.6
95.04968	0.8
95.08600	2.2
96.08135	4.3
97.02896	0.6
97.06524	0.8
97.10152	1.5
97.45361	0.6
98.06055	0.8
98.09699	27.0
98.97571	1.1
104.10780	0.6
105.07013	1.2
106.06545	1.6
106.07255	0.7
107.08602	2.3
108.08143	1.6
109.06487	0.8
109.10164	3.1
112.07630	1.0
117.07042	1.4
119.08573	2.4
120.08090	1.2
121.06509	0.8
121.10217	0.7
122.06032	14.3
122.25131	0.6
123.08060	0.6
124.07601	29.7
126.09131	0.9
133.10153	0.7
134.09608	0.9
135.08083	1.6
135.11713	0.6
136.07579	8.0
137.09598	1.0
139.03922	0.9
140.07076	21.8
148.07541	3.3
149.08345	2.0
150.09120	0.6
153.09114	0.6
158.99600	0.6
162.09157	1.3
164.04214	0.8
168.99550	0.5
173.11810	0.8
180.13751	0.8
181.08635	3.0
184.07449	0.7
198.14986	1.1
232.16968	2.6
250.17992	6.5
250.63191	0.5
260.16486	21.9
268.19058	5.3
278.17523	100.0
278.22333	2.5
279.17761	0.6
296.10114	1.8
296.13120	0.8
296.18457	7.9
296.23187	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	296.1495
Annotation	Unknow
Peak:m/z	Relative Intensity
55.93583	0.5
56.96580	0.5
59.04984	0.8
66.56930	0.6
69.26462	4.7
70.06592	1.7
75.04484	4.2
77.03934	0.7
77.14435	0.5
79.05519	2.9
87.04475	0.6
91.05488	0.5
97.02937	0.9
98.06056	2.1
98.97582	0.9
103.05485	1.7
105.07040	22.9
117.05778	1.0
119.08590	2.2
120.05733	0.5
121.06517	0.8
123.08065	2.5
130.06490	1.2
130.08656	4.1
131.06331	0.9
131.07323	17.9
132.08099	9.6
133.07620	2.0
133.10258	0.5
134.09668	0.6
143.07281	0.6
144.08087	2.3
145.06499	1.2
145.08871	7.6
146.09659	100.0
147.58652	0.5
156.76559	0.6
158.09648	11.0
159.10400	0.9
160.07596	2.9
160.11230	35.5
161.08382	1.1
162.09105	0.7
163.03973	0.9
164.04274	1.1
166.34409	0.5
172.07590	1.4
175.09999	1.3
176.07144	0.7
186.09212	0.7
187.09904	1.0
188.10713	6.7
190.12306	3.8
191.09488	0.9
192.10208	6.5
192.13849	3.0
218.11749	6.1
220.13348	1.4
236.12849	0.8
246.11237	2.5
248.12839	2.0
250.14386	12.9
264.12439	1.1
278.13885	36.3
312.27008	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	296.1132
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12184	1.0
56.05038	1.9
56.96563	2.6
65.15422	1.1
69.03438	1.9
69.11244	1.1
70.02945	3.2
70.85816	3.2
72.04523	3.2
73.02905	2.8
79.05487	3.1
81.07086	2.0
84.04485	1.4
84.08132	3.7
85.02901	3.3
85.08441	1.5
86.09693	1.8
87.00829	5.0
87.04474	8.2
88.03985	2.2
89.02398	40.7
89.03948	1.4
91.05487	11.9
93.07068	1.1
95.16653	1.2
97.02876	1.3
98.97585	3.3
100.04001	1.5
101.04758	4.1
103.05467	13.7
105.07039	9.1
107.04949	5.4
113.02380	4.8
116.98684	1.4
117.05762	2.8
117.07022	12.1
118.06564	5.2
119.08514	1.1
120.08107	16.1
121.02863	5.8
121.06534	1.5
122.03187	3.6
128.06221	1.1
129.07013	10.1
130.06494	2.2
131.00191	1.2
131.03401	39.4
131.04863	8.4
131.07297	2.5
135.04419	2.7
143.00160	1.5
144.08131	2.8
145.02893	1.9
146.09657	54.0
149.05983	1.4
163.03912	12.0
164.04239	3.0
164.10716	32.1
164.12013	2.3
166.08632	3.4
174.09198	6.1
185.04222	2.7
192.10205	100.0
210.11217	5.7
232.09686	2.1
248.03137	1.3
250.10744	35.7
254.63147	1.2
278.10162	1.4
296.11310	53.5
296.16354	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	295.2269
Annotation	(11R)-Hydroxy-6(Z),9(Z),12(Z)-octadecatrienoic acid
Peak:m/z	Relative Intensity
53.03949	6.2
55.05502	16.6
57.03439	4.1
58.35818	3.5
60.83331	4.4
64.57742	3.9
67.05508	46.2
69.07067	19.4
69.31598	33.1
71.08636	47.0
79.05492	37.9
81.03400	4.6
81.07064	45.3
83.04987	13.2
83.08624	13.0
85.06530	4.9
91.05482	24.6
92.44741	4.2
93.07050	57.6
93.66206	4.8
95.04948	11.4
95.08601	35.8
97.06569	9.1
97.10193	5.3
99.08082	34.5
105.07058	29.5
107.04957	9.8
107.08598	32.8
109.06564	4.7
109.10147	13.4
115.88576	4.1
119.08582	18.6
121.10150	26.3
133.06491	9.5
133.10138	11.0
134.07289	8.3
135.08070	25.2
135.11703	36.9
143.08638	4.2
147.11699	5.4
149.13318	14.2
151.11172	12.9
157.10056	4.2
161.13226	10.1
163.11191	6.2
165.03702	9.0
177.12723	6.4
179.14325	100.0
225.61659	4.6
232.57620	4.1
268.15634	5.0
277.16165	9.1
277.21594	54.7
295.22693	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	295.2269
Annotation	13-OxoODE
Peak:m/z	Relative Intensity
53.03947	11.6
55.01857	4.5
55.05514	16.4
57.03433	2.5
57.07068	3.9
60.77682	1.4
62.95693	1.4
65.03948	1.2
67.05510	34.0
69.07072	37.4
69.63402	2.8
69.63805	6.0
71.04999	2.2
71.05372	1.5
71.08631	3.5
79.05077	1.8
79.05498	26.4
81.03420	49.8
81.07055	34.6
83.04985	15.9
83.08617	10.0
85.29925	1.3
91.05493	13.6
93.07050	29.5
95.04977	27.6
95.08603	14.5
97.02986	1.4
97.06516	4.6
97.10152	5.9
99.08057	1.6
105.07047	19.3
107.08599	21.4
109.06547	7.3
109.10178	10.8
111.08051	4.4
117.07031	4.1
119.08588	8.6
121.06515	1.6
121.10158	9.3
123.08090	2.0
123.11684	3.9
125.09622	8.4
129.06952	2.5
131.08568	3.2
133.10155	12.1
135.08032	2.8
135.11699	7.0
137.05991	1.6
137.13289	2.3
143.08521	2.6
145.10117	3.8
147.11716	9.4
149.13255	8.7
151.11185	25.9
153.09071	2.3
157.10110	2.3
161.09595	1.4
161.13222	15.7
163.14810	5.6
165.12761	5.1
171.11691	5.3
173.13245	3.6
175.11224	1.8
175.14841	5.3
177.12730	3.6
177.16391	1.9
179.14343	3.9
185.13283	4.7
189.11189	2.3
189.12724	2.7
199.14859	2.0
203.41252	1.4
207.13811	5.0
207.97777	1.4
221.15419	4.1
231.21051	4.6
241.19521	8.2
249.22130	4.8
259.20609	6.1
277.21640	100.0
295.22720	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	295.2269
Annotation	(11R)-Hydroxy-6(Z),9(Z),12(Z)-octadecatrienoic acid
Peak:m/z	Relative Intensity
53.03932	5.3
55.01878	21.3
55.05514	40.0
55.48869	1.1
56.96580	1.7
57.03430	3.2
57.07078	6.9
59.04997	1.1
60.90861	1.0
65.03943	2.9
67.05507	66.3
69.03425	4.9
69.07072	28.4
71.04973	4.7
71.08632	34.1
73.06524	1.4
76.33862	1.1
79.05492	40.8
81.03416	12.4
81.07056	57.9
83.04976	13.7
83.08145	1.9
83.08622	23.3
85.06519	4.2
85.10188	6.6
86.09686	1.5
91.05483	25.9
93.07047	45.3
95.04970	13.0
95.08608	38.6
97.02868	2.5
97.06541	12.4
97.10173	18.6
99.08099	25.8
105.07033	22.0
107.04941	6.8
107.07877	1.8
107.08601	29.7
109.06524	5.5
109.10165	25.6
111.08081	17.5
113.09659	6.4
114.33043	1.1
117.07001	5.1
119.08583	17.9
121.06499	1.6
121.10150	19.5
123.08094	9.7
123.11727	7.4
125.09641	15.5
127.11198	1.2
128.06190	1.4
129.06992	3.8
131.08586	6.3
133.10143	16.1
135.08072	3.4
135.11697	18.1
137.09618	9.8
137.13254	2.0
139.11205	8.1
143.08553	3.6
145.10133	7.5
147.08044	1.7
147.11703	17.3
149.02309	3.4
149.09595	3.9
149.13249	10.1
150.29433	1.2
151.11191	26.7
153.09093	1.5
153.12753	3.4
155.10669	1.7
157.10146	2.6
159.11691	4.7
161.09613	1.4
161.13268	15.3
163.03870	3.1
163.11198	11.9
163.14854	2.9
165.09106	1.5
165.12778	14.9
167.14328	2.1
169.10158	1.4
171.11691	3.2
173.13226	3.4
174.56931	1.1
175.11211	3.0
175.14824	5.2
177.12704	2.7
179.14313	12.6
181.12283	2.1
185.13277	3.9
189.11244	11.9
189.12755	2.4
193.12192	2.2
193.15891	2.0
195.13727	1.7
199.14764	2.3
207.13814	2.8
207.17731	1.1
213.16347	1.7
217.19458	1.3
221.15402	3.5
231.17464	1.4
231.21112	4.1
235.16841	2.0
241.19493	8.4
249.22112	11.0
259.20575	12.4
277.21628	100.0
295.05862	1.8
295.22696	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	295.2268
Annotation	13-OxoODE
Peak:m/z	Relative Intensity
53.03950	11.6
55.01871	2.9
55.05518	18.4
57.07073	7.2
59.76924	2.3
67.05510	44.8
69.07072	32.6
70.68819	4.8
71.05004	2.8
71.08633	4.6
78.14610	2.1
79.05497	27.7
81.02939	2.9
81.03419	53.7
81.07053	40.3
83.04984	12.9
83.08614	8.5
85.06498	2.3
85.10172	3.0
91.05488	15.7
93.07042	27.3
95.04971	35.4
95.08614	19.5
97.10155	7.1
99.08083	4.8
105.07034	17.1
107.08067	1.6
107.08596	16.1
109.06497	6.2
109.10166	17.1
111.08048	3.0
113.09663	1.9
117.07008	3.5
119.08578	11.4
121.10147	11.2
123.11729	5.0
125.09634	8.0
129.07007	3.5
131.08585	2.4
133.10129	14.1
135.08035	5.5
135.11691	5.4
147.11717	11.4
149.13271	5.7
151.11183	42.0
153.09113	4.0
157.10075	2.8
159.11526	2.2
161.13260	7.4
163.14815	4.9
165.12735	8.4
171.11691	3.4
175.11145	2.9
175.14876	3.7
179.14320	5.3
181.12228	2.5
185.13130	3.7
189.12798	2.8
193.12276	2.8
198.20558	1.9
207.13844	4.6
221.15460	2.7
231.21144	10.3
241.19527	8.0
249.22113	5.7
259.20544	6.8
277.21637	100.0
295.22739	6.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2269
Annotation	9(S)-HOT
Peak:m/z	Relative Intensity
55.01876	6.5
55.05513	23.8
57.03440	2.6
57.06865	1.1
57.07079	11.2
64.53311	1.3
67.05507	24.3
69.03428	3.0
69.07074	12.7
70.40235	3.3
71.04994	2.1
71.08625	5.8
73.02920	2.7
73.06544	3.4
73.62847	1.6
73.74490	1.3
79.05495	20.9
81.03408	1.9
81.07059	30.2
83.04993	10.7
83.08627	8.6
85.02908	13.6
91.05472	13.0
93.07047	22.3
95.04962	9.7
95.08607	24.0
97.06529	12.7
97.10161	5.7
98.97600	1.4
99.08115	2.4
101.02388	6.4
105.07034	15.3
107.04969	1.6
107.08596	23.3
109.06506	8.2
109.10164	8.2
111.04450	2.6
111.08058	1.7
117.07036	2.3
119.08589	13.1
121.06522	1.6
121.10174	11.9
123.08064	4.7
123.11728	4.1
125.09633	2.2
129.06996	2.9
131.08546	2.4
133.10112	10.2
135.11691	7.1
137.05957	2.3
137.09627	3.2
137.13251	2.8
139.11153	4.6
143.08609	3.9
145.10121	3.2
147.11717	9.1
149.13237	5.4
151.11206	1.6
151.14915	1.5
153.12767	3.2
157.10117	3.1
159.11681	2.1
161.09589	3.0
161.13263	10.3
163.11276	1.8
163.14816	3.5
165.12779	11.1
171.11667	6.8
175.11218	3.8
175.14847	4.5
177.16437	4.8
179.14299	8.0
181.12256	10.5
184.07336	3.4
185.13222	3.9
189.12746	2.7
193.12257	4.7
193.15881	2.0
203.10773	2.3
207.13776	9.0
221.11681	16.0
231.21120	9.0
239.12766	3.3
241.19527	9.3
249.22128	13.5
259.20575	21.0
277.21631	100.0
295.05835	1.8
295.19168	4.0
295.22650	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	295.2269
Annotation	(11R)-Hydroxy-6(Z),9(Z),12(Z)-octadecatrienoic acid
Peak:m/z	Relative Intensity
53.03938	4.0
55.01873	39.7
55.05515	30.4
57.03429	3.8
57.05106	1.5
57.07071	7.3
65.84998	1.5
67.05510	41.1
69.03425	2.2
69.07074	15.3
69.35061	13.6
71.04976	3.2
71.08635	32.5
79.05499	27.5
81.03416	7.0
81.07058	44.9
83.04987	14.2
83.08624	16.1
85.06551	4.5
85.10176	9.0
86.09657	2.0
91.05484	27.2
93.07050	29.7
95.04977	10.2
95.08016	1.0
95.08607	30.8
97.06533	14.3
97.10175	6.5
98.17643	1.5
98.21462	3.4
99.08104	27.7
105.07034	20.1
107.04954	3.3
107.08589	17.9
109.06534	6.8
109.10155	14.7
111.08087	48.7
113.09672	12.7
117.07040	5.2
119.08566	13.9
121.06519	2.2
121.10146	17.6
123.08171	2.2
123.11703	5.6
125.09626	3.3
129.07031	5.5
131.08580	6.3
133.10136	19.8
135.08090	2.2
135.11725	11.6
137.09631	2.5
137.13266	2.5
139.07594	1.8
139.11163	5.7
143.08582	3.4
145.06374	2.4
145.10115	4.9
147.11710	16.8
149.09666	7.6
149.13226	10.9
151.11183	27.1
153.09157	2.8
153.12820	3.2
157.10144	2.9
157.53807	1.8
159.11711	4.0
161.13249	17.0
163.11166	9.2
163.14870	3.5
165.12762	19.3
167.10709	1.8
171.11703	2.9
173.13284	4.0
175.11278	1.6
175.14828	4.9
177.12743	2.5
179.14339	11.6
185.13347	3.8
193.12303	2.3
199.14799	1.6
207.13885	2.7
214.91049	1.6
221.15445	2.9
231.17291	2.0
231.21082	4.0
241.19597	6.1
249.22177	5.4
259.20627	10.7
277.21637	100.0
295.22656	56.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.227
Annotation	9-OxoODE
Peak:m/z	Relative Intensity
52.89159	2.7
53.03926	5.7
53.06199	2.7
53.28235	2.8
55.01871	14.1
55.05513	49.0
56.96561	5.8
57.03430	6.1
57.07053	10.2
59.04985	3.1
67.05508	78.5
69.03419	4.5
69.07075	33.2
69.55719	17.9
71.04983	6.2
71.08638	21.8
79.05073	4.0
79.05492	47.8
81.03400	10.0
81.07059	71.6
83.05013	15.3
83.08162	3.2
83.08608	30.3
85.06519	6.0
85.10177	6.2
87.82211	2.9
89.21282	2.6
91.05482	25.1
93.06481	3.8
93.07045	52.3
95.04986	17.3
95.08604	51.0
95.66058	2.7
97.06499	9.5
97.10153	23.4
98.20734	2.7
99.08104	20.8
105.07034	28.3
107.04931	3.5
107.08598	34.9
109.06483	7.5
109.10168	26.7
111.08086	15.7
113.09612	8.3
117.07005	6.8
119.08591	19.7
121.10155	19.4
123.08086	5.0
123.11707	7.7
125.09628	20.4
129.07028	4.2
130.76996	2.8
131.08543	8.2
133.10109	18.2
135.11694	22.0
137.09602	9.5
137.13266	4.6
139.11159	10.3
143.08601	5.8
145.10086	11.3
147.11714	14.1
149.09584	6.1
149.13260	15.1
151.11209	18.4
153.42616	2.5
157.10106	6.8
159.11700	5.2
161.09624	2.7
161.13248	13.0
163.11188	9.6
163.14809	5.8
165.12712	14.7
171.11642	4.9
173.13194	2.7
175.11177	4.3
175.14778	9.0
179.14246	6.7
184.07309	3.4
185.13293	2.8
189.11232	13.7
189.12700	3.2
195.11743	2.8
195.13806	2.8
199.14771	6.6
221.15373	3.9
231.21022	3.2
241.19510	6.5
249.22160	6.6
259.20551	9.3
277.21631	100.0
290.11603	2.7
295.22638	82.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2269
Annotation	13-OxoODE
Peak:m/z	Relative Intensity
53.03951	11.1
55.01860	5.9
55.05512	23.5
57.03448	2.7
57.07068	5.6
65.03946	2.5
67.05505	58.5
68.30238	1.4
69.03434	9.0
69.07069	23.0
71.05006	5.1
71.08627	6.1
73.06525	1.7
79.05496	32.0
81.03414	44.0
81.07056	34.9
82.30782	1.6
83.04971	10.1
83.08616	6.9
85.06547	4.9
91.05479	16.1
93.06155	2.0
93.07042	45.9
95.04967	25.9
95.08607	28.9
97.06534	6.6
97.10162	7.0
98.20777	5.6
99.08073	2.0
105.07043	11.6
107.08590	19.0
109.06526	3.1
109.10162	25.1
111.08111	1.7
117.07027	6.5
119.08590	15.2
121.10143	23.1
123.08061	1.8
123.11704	6.8
125.09644	2.4
129.06989	1.9
131.08554	4.9
133.10117	14.8
135.11685	17.2
135.99425	1.4
137.09616	22.7
137.13249	2.0
139.11172	3.7
141.33827	1.6
143.08528	3.0
145.10152	2.5
147.11665	11.5
149.13286	10.3
151.11156	9.5
157.10071	2.7
159.11671	4.8
161.13251	5.1
163.11174	3.2
163.14807	3.6
165.12715	3.1
171.11700	1.6
173.13289	4.7
175.14882	3.3
179.14354	3.8
185.13281	4.6
189.12822	1.7
191.14217	2.9
192.39807	1.5
193.15822	1.9
199.14833	3.5
203.12698	4.0
207.13878	2.2
221.15413	5.4
231.20999	3.2
235.16983	2.1
241.19508	4.9
249.22183	3.8
259.20627	5.5
277.21631	100.0
295.22604	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	295.227
Annotation	9(S)-HOTrE
Peak:m/z	Relative Intensity
52.29974	1.2
53.03943	5.1
55.01871	14.0
55.05515	30.3
57.03438	3.9
57.07067	4.9
63.95549	1.1
64.99081	1.1
67.05508	49.3
69.03431	6.5
69.07074	29.4
69.60205	6.4
71.04981	5.1
71.08640	15.2
79.05497	30.4
81.03426	22.5
81.07063	42.0
83.04984	13.0
83.08623	9.3
85.06534	4.5
91.05483	17.1
93.06480	2.7
93.07045	35.9
93.07639	1.8
93.55618	1.1
95.04980	21.4
95.08615	41.2
97.06548	8.0
97.10172	12.5
99.08099	7.5
105.07027	13.1
107.04977	1.6
107.08598	17.8
109.06510	4.8
109.10158	25.4
111.08072	2.8
111.11710	1.7
117.06982	3.5
119.08596	16.2
121.10164	16.4
123.08087	12.3
123.11728	2.7
125.09632	10.2
131.08586	4.2
133.10152	10.6
135.11716	13.0
137.09625	22.0
139.11188	10.9
143.08585	1.2
145.10156	5.1
147.08047	1.5
147.11736	6.3
149.13297	8.7
151.07556	1.5
151.11197	15.5
153.12747	3.2
159.11627	2.6
161.13251	5.6
163.11176	3.4
163.14803	2.5
165.12799	4.5
167.14438	1.4
171.11659	2.6
173.13245	2.9
175.14795	2.7
179.14307	3.0
181.12323	2.7
185.13278	3.4
189.11224	3.0
189.16469	1.7
193.15910	2.6
199.14906	2.3
203.12643	1.4
207.04941	1.5
207.13741	1.9
221.15343	3.2
231.21135	3.6
231.99509	1.0
241.19601	3.5
249.22150	11.7
259.20587	5.7
277.21640	90.2
295.22708	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2268
Annotation	13-OxoODE
Peak:m/z	Relative Intensity
53.03950	4.8
55.01857	2.3
55.05500	14.5
57.07059	2.7
64.39286	2.4
67.05504	36.0
69.07066	12.2
69.91796	11.6
71.05001	3.1
71.08636	37.7
73.12128	2.9
79.05495	36.4
81.03407	5.4
81.07056	42.3
83.04967	9.6
83.08633	13.1
83.61854	2.4
85.06532	2.6
90.24490	2.3
91.05499	21.3
93.06481	4.1
93.07046	49.7
95.04964	7.3
95.08618	27.5
97.06534	8.3
97.10175	6.4
97.63078	2.9
97.95076	2.5
99.08095	30.1
105.07015	14.4
107.04970	4.2
107.08578	29.0
109.10168	13.5
111.08051	2.7
113.09681	3.1
117.06983	3.9
119.08585	13.0
121.10145	25.0
127.11165	2.9
131.08543	3.3
133.10127	7.7
135.11705	32.6
137.09602	3.1
141.09088	3.3
145.10085	2.8
147.11684	3.2
149.13269	9.3
151.11179	14.7
159.11725	4.4
161.13286	9.7
163.11191	4.6
177.12753	3.0
179.14325	100.0
203.00301	2.5
221.15363	3.1
235.16959	5.1
259.20416	5.5
277.21649	50.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2268
Annotation	(11R)-Hydroxy-6(Z),9(Z),12(Z)-octadecatrienoic acid
Peak:m/z	Relative Intensity
53.03944	6.5
55.01875	18.8
55.05511	50.8
57.03444	8.3
57.07080	8.4
59.04996	2.1
59.57715	1.5
65.03934	2.6
67.05507	78.7
69.03421	6.0
69.07071	30.2
69.84098	6.3
70.56684	1.7
70.66478	2.0
71.04990	5.3
71.08635	34.0
79.05071	3.3
79.05494	41.4
81.03423	13.3
81.07059	60.5
83.04990	15.4
83.08618	29.2
85.06539	7.0
85.10169	2.8
91.05483	26.9
91.93442	1.7
93.06487	3.4
93.07047	54.2
95.04974	12.1
95.08611	42.9
97.06504	10.1
97.10171	23.6
98.21558	2.1
99.08092	28.2
100.93891	2.0
105.07043	24.0
107.04967	4.0
107.08599	38.3
108.95737	1.6
109.06505	7.1
109.10168	21.4
110.17532	1.6
110.72355	1.8
111.08092	22.0
113.09624	3.4
117.07000	7.1
119.08576	15.4
121.10136	22.1
123.08096	3.6
123.11718	3.5
125.09634	23.7
129.06995	5.1
131.08565	7.6
133.10135	21.0
135.08090	3.5
135.11719	18.9
137.09613	6.5
137.13248	2.5
139.11162	9.1
140.01852	1.8
143.08537	3.5
145.10127	5.8
147.08060	2.3
147.11705	15.0
149.09685	4.0
149.13264	17.7
151.11186	28.1
153.09189	2.2
153.12718	2.3
157.10158	4.5
159.11729	4.8
161.13266	15.4
163.11134	11.2
163.14828	4.9
165.12756	9.8
167.10674	1.9
171.11697	3.1
173.13283	5.9
173.75037	1.8
175.11177	3.5
175.14859	4.8
177.12720	5.6
179.14279	11.0
181.12207	2.2
185.13313	4.9
189.11263	17.7
189.12785	3.8
193.12294	3.7
195.13809	5.7
199.14856	3.0
207.13742	1.9
215.17914	1.9
216.21468	1.8
221.15378	3.5
231.21042	4.6
241.19504	5.3
249.22205	4.6
251.89677	1.8
259.20544	14.6
277.21640	100.0
289.69531	1.8
295.22699	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	295.2269
Annotation	13-OxoODE
Peak:m/z	Relative Intensity
53.03942	3.8
55.01873	2.4
55.05513	12.0
57.03447	2.3
57.07077	3.5
58.21047	0.5
58.79494	0.6
59.04973	0.5
65.03947	0.8
66.96535	0.4
67.05507	27.7
67.65932	0.4
69.03418	1.9
69.07072	13.7
71.04985	3.0
71.08636	17.1
71.16810	1.2
73.06548	0.9
73.50933	0.5
79.05495	17.5
81.02997	0.8
81.03426	12.4
81.06587	1.0
81.07061	19.2
83.04988	8.0
83.08619	3.6
85.06546	2.3
86.09727	0.6
91.05476	8.9
91.57006	0.4
93.07048	19.4
95.04972	13.7
95.08614	16.4
95.09169	0.3
97.06531	3.6
97.10180	3.9
99.07491	0.8
99.08096	11.0
105.07030	6.5
107.04937	1.0
107.08605	8.9
109.06548	2.6
109.10159	10.3
111.08071	0.9
113.09686	0.6
117.07047	1.2
119.08583	5.9
121.10152	8.2
123.08081	1.9
123.11708	1.9
124.99976	0.5
125.09657	0.9
127.11197	0.7
129.06984	1.1
131.08580	1.9
131.78864	0.5
133.10144	4.8
135.11696	4.2
137.09618	7.9
137.13300	0.5
139.11188	3.3
143.08563	1.3
145.06503	1.9
145.10149	1.1
147.11676	1.9
149.09669	0.6
149.13277	2.6
151.11191	16.6
153.12735	1.1
159.11719	1.4
161.13266	3.1
163.11188	2.4
163.14886	0.9
165.12769	1.3
171.11693	1.5
173.13306	1.0
175.14857	1.2
179.14334	3.9
184.07384	1.0
185.13219	0.8
191.14383	0.5
193.15839	0.7
199.14821	0.8
203.12804	1.2
221.15320	2.9
231.21179	1.1
235.16934	0.6
241.19496	0.7
249.22169	1.9
259.20691	1.1
277.15546	0.6
277.16846	0.8
277.21640	58.9
295.22690	100.0
312.48398	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.1904
Annotation	Nordihydrocapsiate
Peak:m/z	Relative Intensity
50.28334	1.0
55.01869	10.1
55.05523	8.7
56.96562	4.0
57.03426	1.2
57.07077	1.2
67.05505	11.5
68.22921	1.1
69.03439	2.0
69.07065	10.0
69.16819	11.0
71.04985	1.7
71.08627	2.9
79.05482	10.5
80.94809	1.2
81.03377	1.9
81.06590	2.2
81.07060	36.1
82.07373	1.1
83.04987	3.3
83.08622	6.6
85.02885	1.0
86.09723	1.4
91.05485	6.9
93.07052	9.7
95.04963	2.9
95.08617	11.8
97.06522	4.4
97.10142	2.0
98.20784	2.3
99.08083	2.7
105.07025	6.5
106.06587	1.1
107.08605	8.3
109.06530	11.7
109.10155	6.1
110.97589	1.0
111.04453	11.4
111.08073	4.7
117.06997	1.9
119.08563	7.3
121.10132	7.0
123.08042	3.0
123.11704	2.2
125.05977	3.9
125.09579	1.2
129.07025	1.4
131.08562	3.0
133.10146	6.5
135.08034	3.6
135.11687	6.2
137.05983	100.0
137.09612	2.0
138.06393	1.0
139.11290	1.3
143.08563	2.1
143.68672	1.1
145.10124	3.5
147.11700	6.7
149.09613	2.6
149.13245	3.1
151.07532	2.9
151.11163	4.8
157.10110	1.4
159.11714	2.1
161.09607	4.1
161.13237	3.9
163.11159	2.6
163.14813	1.3
165.09094	2.7
165.12747	1.9
171.11726	1.4
173.13321	2.5
175.11197	3.4
175.14812	1.5
177.12758	1.2
179.10689	1.7
179.14310	1.5
185.13255	1.2
198.03403	1.0
203.18019	6.2
206.33174	1.3
213.16382	2.2
221.19006	1.2
231.17444	9.6
249.18489	9.9
249.22308	1.3
259.20520	1.6
272.15366	1.2
277.17975	54.4
277.21515	14.3
295.05942	1.7
295.19070	6.7
295.22647	9.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.1691
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00305	0.5
53.03944	0.6
53.30850	0.5
55.01860	0.6
55.05517	3.4
56.96298	0.7
56.96568	9.0
57.07079	0.7
57.34730	0.5
57.40375	0.5
60.95856	0.9
67.05508	4.4
69.07066	2.4
71.06329	1.4
71.08624	1.3
71.95244	1.0
74.99910	0.5
77.03922	0.5
79.05494	3.3
81.03414	0.8
81.07055	3.7
83.01611	0.5
83.04967	0.8
83.08634	1.0
83.23805	0.5
85.06549	0.8
86.09723	1.3
91.05493	4.7
93.07056	6.0
95.04950	0.9
95.08611	4.9
97.06525	0.7
99.08094	1.2
105.07037	8.3
107.08591	4.2
109.10159	2.8
111.08102	0.7
115.05471	2.5
117.07011	3.9
119.08601	5.6
121.10171	4.0
123.08057	0.9
123.11763	0.8
125.00026	0.7
129.06992	1.3
131.08580	3.9
132.06956	1.0
133.10147	2.9
135.08073	0.9
135.11676	0.7
139.50490	0.6
141.07487	1.4
142.07735	0.7
143.08574	2.1
145.06496	100.0
145.10135	4.3
147.03183	0.6
147.08080	1.0
147.11681	3.7
148.08252	1.0
149.09608	0.7
149.13220	0.9
150.08066	0.7
151.11253	0.9
153.11702	0.6
155.08574	1.1
157.10155	2.1
159.11656	2.1
161.13376	0.8
163.11165	0.6
165.02274	0.7
171.07962	0.8
171.11708	1.3
173.13286	1.8
175.14813	1.4
177.16405	0.7
178.10179	0.6
183.08080	2.3
184.07367	0.8
185.09642	2.1
185.13194	1.4
187.14813	1.3
197.09627	0.6
199.14864	1.1
205.15904	1.3
208.13737	0.6
211.64058	0.6
217.14247	3.3
217.64471	1.1
223.14301	1.3
225.16432	0.8
226.14746	1.0
232.14842	7.8
232.65024	0.9
234.10330	0.7
234.12685	1.2
237.65457	0.6
239.13889	1.1
240.10002	0.6
241.15327	3.2
243.13184	1.0
243.65677	0.6
244.59976	0.6
245.63541	0.8
248.14325	0.8
252.66168	1.9
254.14308	5.3
254.64255	0.8
257.14789	0.8
258.15494	0.8
259.65054	1.0
261.11630	0.7
263.14890	8.8
263.64957	1.7
267.17422	0.7
272.15302	6.7
274.21146	0.6
274.65518	3.8
277.15948	4.6
277.21646	1.7
281.10809	0.8
283.15607	0.6
283.66208	0.9
295.12280	0.9
295.17065	9.9
295.22324	2.1
309.13718	1.4
313.13104	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.1655
Annotation	L-LEUCYL-L-TYROSINE
Peak:m/z	Relative Intensity
52.80000	0.4
52.90762	0.3
55.60283	0.3
55.91558	0.3
56.96585	0.5
58.06605	1.0
62.34496	0.4
65.03939	1.5
67.05515	0.5
70.96009	0.8
74.21922	0.4
81.09875	0.4
84.08149	29.8
85.06537	1.1
86.09699	1.3
86.10207	0.4
98.09692	1.7
107.04961	2.2
111.04434	1.5
114.12807	4.1
120.08089	0.7
121.02873	100.0
129.13924	0.9
130.08653	14.0
130.12279	5.3
139.39743	0.4
150.64967	0.3
158.11748	0.9
163.03961	1.0
175.14432	26.6
188.10757	0.5
204.10257	0.6
249.15976	0.6
250.10735	0.6
260.20340	0.4
277.15414	1.8
295.16537	88.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.1289
Annotation	Unknow
Peak:m/z	Relative Intensity
51.88836	0.5
53.03939	0.9
55.01868	2.3
55.05509	0.7
55.77869	0.6
56.05032	2.5
56.96554	1.8
57.03440	11.4
59.05003	1.6
61.02927	2.5
67.05513	1.0
69.03432	39.4
69.07069	2.3
69.98853	2.5
70.06580	2.2
70.56502	0.6
71.01337	1.4
71.04980	1.6
72.08160	3.4
73.02917	5.6
77.03899	0.8
79.05494	15.9
81.03420	5.9
81.07067	0.6
83.06110	2.0
84.04506	73.8
84.08139	2.1
85.02905	42.5
86.09701	1.3
87.04469	17.2
87.08101	1.6
88.03947	0.7
91.03950	1.7
91.05487	1.8
93.07044	1.1
94.06567	2.0
95.04984	2.0
97.02893	26.2
99.04474	5.5
101.02353	0.8
101.07147	1.1
101.56814	0.6
102.05545	2.6
103.03961	3.3
103.05472	2.9
105.07047	1.4
106.06551	5.2
107.04958	100.0
107.08573	0.8
109.02882	2.8
111.04432	1.4
115.03930	22.2
117.05493	0.7
119.04977	1.4
120.08106	2.2
121.02891	2.3
121.06479	0.8
123.04442	1.9
124.99118	1.7
125.02337	0.8
127.03927	9.7
129.06624	2.0
130.05003	34.6
131.04935	13.8
133.04971	23.7
133.06001	1.1
135.04410	2.0
136.07570	4.3
137.05978	1.1
139.03886	0.8
143.00192	2.3
145.04961	15.2
145.06252	0.8
146.06030	3.7
147.04434	1.2
147.07712	2.0
148.04898	0.8
148.07607	1.4
149.05983	34.3
150.07762	6.8
151.03926	2.6
151.11092	1.0
157.05008	1.1
161.01260	0.8
161.04465	1.2
161.05934	0.7
163.03922	5.1
163.06049	1.0
163.08635	0.6
163.12427	1.5
164.11877	2.2
165.05576	0.9
165.06953	0.8
166.08646	32.5
169.04933	3.8
174.05576	1.7
177.05453	1.2
179.14172	1.5
180.14990	1.0
187.06049	1.1
192.15025	1.6
199.05965	0.6
221.05952	2.0
223.06157	1.2
229.07068	1.5
231.01834	1.2
232.09734	3.8
234.16058	1.2
236.13980	2.2
241.07085	2.5
249.02838	3.2
249.05533	1.7
249.12462	1.1
252.79224	0.6
259.00952	0.7
259.08170	2.0
260.09732	0.7
260.51138	0.7
267.03940	1.7
268.61417	0.6
277.09253	4.1
277.11816	0.7
277.15625	0.9
278.10248	8.2
278.14822	3.3
295.05652	3.5
295.12909	19.8
295.17538	19.9
297.68033	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.1026
Annotation	Tuliposide B
Peak:m/z	Relative Intensity
53.03934	2.7
55.01854	4.1
55.05499	1.5
56.05033	1.8
56.96556	2.7
57.03437	22.4
59.04993	3.8
61.02916	5.2
67.05499	2.6
69.03432	100.0
69.07061	2.7
69.44011	10.1
70.06566	1.7
71.01340	3.1
71.05021	2.7
72.08151	3.5
73.02914	7.1
79.05502	13.3
81.03425	16.9
83.01335	1.8
83.04981	4.1
84.04507	54.0
85.02906	82.6
86.09713	1.6
87.04470	41.4
87.08098	3.0
88.03981	3.2
91.03966	2.7
91.05479	6.1
95.04950	1.9
97.02895	60.7
97.03528	3.1
99.04458	15.5
101.07153	1.7
102.05559	3.4
103.03965	10.2
106.06542	4.4
107.04960	76.7
109.02855	7.4
109.06514	1.6
110.38721	1.4
111.04435	3.4
115.03930	59.2
117.05502	3.2
119.04933	4.0
120.08092	2.7
121.02852	2.8
123.04423	4.9
124.99102	2.0
125.02361	1.4
127.03905	18.9
129.05521	1.9
129.10193	1.4
130.05019	28.3
131.04924	12.0
133.04971	57.3
135.04425	4.3
136.07581	21.8
137.69135	1.5
139.03908	3.1
143.00162	3.1
145.04967	32.4
146.05992	5.1
147.07629	1.7
148.07500	1.6
149.04802	1.8
149.05984	30.8
150.07716	3.0
151.03885	4.0
157.05013	1.6
158.99637	1.4
161.01277	1.3
161.04411	4.3
163.03906	8.6
163.06007	2.3
165.05527	1.6
166.08641	26.5
169.04948	6.5
170.17661	1.3
174.05504	2.3
181.04884	1.7
187.06021	1.7
192.04866	1.6
199.06015	2.4
202.03444	1.5
205.07040	1.5
229.07097	3.4
232.09727	2.9
239.82747	1.4
241.07066	4.6
249.02780	4.4
249.05194	1.9
249.12495	1.6
259.08133	3.2
267.03818	3.0
268.52036	1.5
277.09265	10.1
278.10388	6.6
278.14944	2.8
295.05933	4.3
295.12854	17.0
295.17105	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	295.1023
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	2.8
55.01865	4.5
56.96549	7.8
57.03435	20.0
59.05002	2.8
60.25896	1.8
61.02914	3.5
62.96085	1.6
67.05499	3.9
69.03433	86.5
70.06598	2.8
71.04970	1.9
72.08158	2.2
73.02912	6.4
79.05463	3.9
81.03419	16.6
83.04977	3.4
84.04509	3.7
84.08141	32.4
85.02911	52.5
86.09699	7.1
87.04471	39.2
88.03952	3.1
89.03913	3.3
91.05480	2.0
93.07047	2.2
94.06560	2.9
95.04962	3.2
97.02304	3.8
97.02901	55.7
97.06574	2.3
98.97586	3.7
99.04466	11.7
103.03940	5.7
107.04942	5.3
109.02869	4.8
111.04436	5.8
114.12782	2.7
115.03934	49.6
117.05469	2.5
120.08124	4.1
121.02868	100.0
123.04408	6.3
124.99127	3.9
127.03950	12.1
130.08635	17.4
130.12267	4.2
131.03415	2.6
132.95822	3.3
133.04037	3.6
133.04974	54.6
135.04425	10.5
137.02354	2.4
138.06619	1.9
139.03891	3.8
143.00143	4.9
145.04967	20.4
146.05969	6.1
147.04416	4.4
150.07758	5.2
151.03873	4.0
154.37860	2.0
161.01169	4.9
161.04408	3.0
161.05919	2.2
163.03929	36.0
164.04189	3.6
169.04955	5.6
173.01175	2.0
174.96858	2.0
175.14410	25.5
177.05441	3.3
178.05859	1.9
180.06465	5.8
181.05055	2.1
181.07191	7.0
189.05418	3.7
193.04909	7.1
195.08755	3.2
199.06149	3.2
205.05133	2.1
213.05515	4.4
221.05978	4.1
223.06009	2.7
231.01775	2.2
231.06377	2.3
234.98969	2.7
241.07027	4.4
249.02788	5.6
249.05374	3.1
253.00195	8.4
259.05859	2.9
259.08267	4.7
267.03781	2.8
271.01266	22.4
277.09048	7.9
277.11710	2.6
289.02307	2.8
295.01279	8.6
295.05911	5.4
295.08890	3.2
295.13147	6.1
295.16498	81.1
313.09720	2.4
315.37906	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.1024
Annotation	Tuliposide B
Peak:m/z	Relative Intensity
55.01857	3.8
55.05508	4.1
56.96557	6.4
57.03442	19.7
59.04990	2.9
61.02930	4.9
67.05492	6.2
69.03434	100.0
69.04506	3.6
69.35050	16.5
71.01350	3.4
71.04980	4.4
73.02911	6.5
79.05489	3.8
79.07333	1.8
81.03424	19.4
81.07051	5.1
82.61002	1.9
83.04969	6.2
85.02911	62.7
87.03999	3.2
87.04478	40.1
91.05452	5.6
93.07027	5.5
95.04956	5.3
95.08614	2.7
97.02901	56.8
98.97567	8.8
99.04459	19.5
103.03925	11.3
104.42444	1.9
105.07027	4.2
107.04910	3.2
109.02857	5.5
109.06476	2.5
110.97575	2.7
111.04456	4.1
115.03181	3.2
115.03941	52.6
117.05499	4.8
119.08627	2.2
121.02817	3.4
121.10110	2.2
123.04403	6.9
124.07581	6.5
127.03928	14.4
129.07069	2.3
131.04904	2.6
133.02809	3.7
133.04977	59.4
133.10054	2.2
133.96417	11.4
134.96681	8.9
135.04407	3.0
136.07521	2.3
137.05882	2.6
139.03928	3.1
145.04979	25.4
151.03935	5.2
157.04909	2.6
158.99596	3.9
161.04416	2.9
161.06062	2.1
161.09483	2.3
163.03937	13.9
169.04942	9.2
177.00713	2.5
177.05479	3.1
181.05025	4.9
182.05772	5.1
187.05995	2.9
199.06039	2.6
211.06024	5.0
212.06810	13.7
217.06767	2.2
229.07109	3.6
241.07201	4.9
245.05585	3.3
249.03059	3.7
249.05450	2.9
254.06406	2.7
259.08096	3.8
263.06824	2.3
277.09198	7.8
277.12204	2.3
277.15665	3.3
295.06088	11.1
295.10730	3.7
295.16571	6.5
295.19885	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	295.0813
Annotation	Vittarilide B
Peak:m/z	Relative Intensity
51.92031	0.2
53.03926	0.2
55.01847	0.3
55.05490	0.4
56.96569	1.9
57.03425	0.2
58.11855	0.2
63.02375	0.2
66.27196	0.2
66.37183	0.2
67.05488	0.6
69.03429	3.7
69.07069	1.2
69.44257	1.0
69.44660	0.4
71.04998	0.3
79.05486	1.3
81.07058	1.0
83.04955	0.3
83.08621	0.2
85.02877	0.8
87.04474	0.3
89.03914	3.5
91.05479	0.6
93.07037	0.6
95.04935	0.4
95.08591	0.5
97.02891	13.9
97.06530	2.8
98.97537	0.4
105.07036	0.3
105.97547	0.2
107.04964	1.8
107.08576	0.5
109.06542	0.3
109.10133	0.3
111.04443	0.4
112.08842	0.4
115.03925	1.0
117.03377	6.4
119.08597	0.3
123.04427	0.5
124.99132	1.1
131.04968	0.3
133.10188	0.2
135.04414	13.6
139.03896	0.3
143.00157	1.1
145.02843	10.8
146.06012	0.3
147.04376	0.8
149.02295	0.2
161.01173	0.5
161.02391	0.4
163.03896	100.0
164.04231	0.5
167.03625	0.2
170.99724	0.3
173.02344	0.9
175.04044	0.3
176.04083	0.4
177.14694	0.2
181.04977	1.9
181.06374	0.3
185.01216	0.4
187.07704	0.2
189.00655	0.3
190.73387	0.2
213.00668	0.4
213.05437	0.2
215.06946	1.0
227.04520	0.2
231.01814	0.5
231.06462	0.4
236.05177	0.7
249.02934	1.2
254.06207	0.5
259.06009	1.7
259.09644	2.3
260.09946	0.3
263.06738	0.4
267.03876	1.0
272.04364	0.3
277.07086	3.4
277.25241	0.3
285.04929	0.3
290.05399	0.3
295.08115	4.4
295.21002	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	294.2146
Annotation	Unknow
Peak:m/z	Relative Intensity
52.95318	1.2
55.01872	6.3
55.05513	11.5
56.05832	3.8
56.96558	5.8
57.03446	2.7
57.07067	5.3
58.07413	1.7
65.03919	1.4
65.89033	1.2
67.05508	26.3
68.02799	1.2
68.05503	1.2
68.05843	7.5
68.17520	1.2
69.03419	3.5
69.07074	8.0
69.17439	12.6
70.07397	1.6
71.04989	5.2
71.08634	21.9
72.05337	1.8
72.08152	1.7
72.08981	6.5
72.09310	1.4
72.67833	1.1
73.02899	1.3
74.69823	1.2
79.05499	13.2
80.05827	4.7
81.03416	14.8
81.07061	15.1
82.03745	5.3
82.07386	6.0
83.04979	4.8
83.08598	5.2
84.08979	2.4
85.02897	4.1
85.06553	4.3
88.99148	1.3
91.05486	14.4
92.05820	6.4
93.07045	15.4
94.07376	8.2
95.04972	22.7
95.08612	24.2
96.05317	10.8
96.08946	16.0
97.02916	1.1
97.06512	3.4
97.10176	2.7
98.06860	2.5
98.97598	6.0
99.04425	2.4
99.08101	15.4
100.08420	5.6
105.07054	8.0
106.07388	4.7
107.04953	3.4
107.08603	11.9
108.08920	7.5
109.06528	2.5
109.10164	9.0
110.10500	7.8
112.99157	1.6
116.98607	2.1
117.07015	3.6
118.07330	3.1
119.08563	8.1
120.08932	6.7
121.10151	3.4
122.06850	2.0
122.10463	3.2
123.08109	3.3
125.09627	2.6
126.09978	1.8
127.11191	1.6
131.00139	3.0
131.08578	4.0
132.08910	4.8
133.10103	4.6
134.10471	4.4
135.11743	2.2
136.08426	2.1
137.09630	5.5
138.09969	6.0
139.03903	5.3
139.11201	3.5
140.11530	2.7
141.09096	1.7
142.09439	2.9
145.10162	1.8
146.10417	3.5
148.12067	2.3
149.01208	3.9
149.09631	2.3
150.09990	2.2
151.09988	2.4
151.11192	42.8
152.11523	58.2
155.10721	7.4
156.11032	10.0
158.99690	1.8
159.11658	2.2
160.12024	3.7
161.09612	2.1
162.09970	4.5
163.11270	1.9
164.11507	1.7
165.12727	4.0
166.13142	6.1
173.13231	1.5
174.13611	1.9
177.12740	5.5
178.13063	12.4
179.10698	1.5
189.11143	2.0
192.14635	2.2
195.13818	1.5
196.14140	2.3
204.10912	1.7
213.11308	1.7
230.19945	3.2
232.17963	1.2
237.08865	1.7
248.20786	3.5
258.19363	8.9
266.22153	1.6
276.20401	38.5
285.13608	6.8
294.14026	4.9
294.21457	100.0
295.09155	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	294.1912
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03917	0.9
55.01866	2.4
55.05513	21.1
57.03427	3.9
59.05002	100.0
67.05492	5.1
69.03427	1.9
69.07061	2.5
70.69316	1.8
70.69648	2.0
71.04996	7.2
79.05497	4.5
81.03414	1.3
81.07052	4.2
83.04958	1.4
83.08621	10.0
85.02891	4.0
87.04473	40.2
89.06019	1.1
91.05492	1.3
93.07050	1.4
95.08599	1.3
95.93554	0.9
97.10172	15.9
99.04473	4.2
107.08588	3.9
109.10152	2.9
111.04500	1.2
119.08623	1.0
121.08543	1.3
121.10175	1.6
125.09637	14.1
128.37724	0.9
135.11697	2.0
145.10141	1.8
153.12706	1.2
155.10709	2.8
163.11215	2.3
163.82425	1.0
173.11714	6.1
197.70370	0.9
294.18961	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	294.1913
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	3.4
55.01879	10.0
55.05514	83.7
57.03444	16.1
57.07085	2.6
59.05004	70.0
64.99911	1.5
67.05512	20.5
68.05816	1.9
69.03423	7.5
69.07072	14.2
69.99049	6.1
70.87126	1.6
71.04996	40.5
71.91120	1.7
79.05494	19.4
79.88828	1.5
81.03425	6.8
81.07061	26.9
82.07382	1.9
83.04985	9.3
83.08622	40.5
85.02907	16.2
85.06559	3.5
87.04471	100.0
89.06034	7.8
91.05490	7.2
92.60140	1.6
93.07041	7.1
95.04968	3.6
95.08600	10.4
96.08356	1.7
96.08949	5.2
97.02885	3.7
97.05180	1.6
97.06544	4.0
97.10174	71.3
98.97577	1.6
99.04461	26.9
105.07082	9.0
107.08588	16.4
109.10162	7.7
110.10493	2.3
111.04441	5.6
111.08083	3.4
115.03900	1.8
117.05479	5.8
119.08572	5.3
120.54750	1.6
121.10157	6.4
122.65097	1.6
123.11671	2.6
125.09634	59.7
131.08539	2.6
135.11707	8.2
136.35121	1.6
137.13235	1.9
143.10675	5.2
145.10138	8.0
147.08138	1.8
150.13559	1.7
153.12755	5.9
155.10655	3.4
157.69966	1.6
163.11166	13.3
173.09669	3.0
173.11694	9.8
181.12221	2.3
191.10725	2.4
209.11804	2.5
221.35568	1.7
223.13280	2.9
294.18576	3.2
294.28888	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	293.2839
Annotation	SCHEMBL8161733
Peak:m/z	Relative Intensity
53.03934	1.9
53.88475	0.9
55.01858	3.1
55.05513	29.8
56.96549	2.3
57.03424	2.9
57.07079	19.7
57.57320	1.0
59.04985	4.2
67.05508	37.9
69.03414	3.9
69.07071	64.2
69.39867	1.4
69.40273	5.8
71.05002	5.4
71.08633	9.8
79.05492	15.1
81.03396	3.0
81.07058	100.0
83.04969	2.1
83.08620	41.1
85.02897	2.6
85.06548	15.1
85.10174	3.7
87.04458	4.1
91.05469	9.8
93.06480	1.9
93.07044	27.3
95.04955	4.1
95.08610	96.3
97.02861	1.8
97.06512	4.4
97.10176	24.4
98.97587	3.1
99.04475	1.4
99.08095	10.2
103.05473	0.9
105.07021	7.1
107.08601	35.7
108.08113	1.7
109.06483	2.6
109.10160	68.2
111.08081	10.7
111.11721	13.8
112.45271	0.9
113.09636	2.6
114.95869	1.0
117.06995	1.7
119.08575	4.3
121.06545	1.8
121.10144	19.6
123.08047	1.9
123.11713	43.9
125.09640	7.1
125.13270	7.8
127.11137	1.6
129.06953	1.2
131.04933	2.0
131.08582	3.0
133.10127	3.5
135.08086	1.2
135.11684	11.4
135.82840	0.9
137.13260	29.7
139.11174	3.3
139.14809	2.2
141.12755	1.2
145.10062	2.8
147.11690	2.0
149.02335	4.6
149.09706	2.2
149.13263	31.9
149.63718	0.9
151.07510	1.2
151.11203	3.5
151.14819	7.6
153.12749	3.5
155.14313	1.8
159.11694	1.9
163.11237	2.4
163.14832	9.5
165.16414	6.7
167.14316	15.9
169.15852	2.0
171.77971	1.0
173.13177	1.0
177.16406	2.8
179.17978	4.0
183.11617	1.0
191.17896	2.3
193.19514	3.5
205.19514	2.7
207.21072	1.1
219.21104	3.6
223.20482	1.6
237.22069	2.2
247.24409	1.7
249.25728	4.4
256.39362	1.0
275.16595	1.5
275.20016	5.3
275.27316	11.5
293.11682	1.1
293.17661	1.8
293.21118	6.1
293.28378	61.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2475
Annotation	Methyl alpha-Eleostearate
Peak:m/z	Relative Intensity
55.01848	1.9
55.05516	9.5
57.07067	4.2
59.66753	1.2
67.05506	80.5
69.07069	25.1
69.15532	15.0
79.05489	14.0
81.03415	2.9
81.07059	100.0
83.04974	2.3
83.08617	9.5
85.06546	3.1
91.05481	7.3
93.07049	15.3
95.04008	1.3
95.04968	13.0
95.08609	75.3
97.06508	4.2
97.10171	5.5
98.20808	3.2
99.08077	1.8
105.07044	7.2
107.04951	5.1
107.08604	9.3
109.06522	2.7
109.10162	44.2
111.04409	1.6
111.08039	2.2
117.07002	4.1
119.08572	6.6
121.06494	2.2
121.10137	10.5
123.08086	3.8
123.11699	27.9
125.09598	1.9
130.45781	1.5
131.08556	6.0
133.10114	5.7
135.08041	5.1
135.11676	5.7
137.09647	2.2
137.13237	11.1
139.11206	2.7
145.10155	3.7
147.11688	5.2
149.09607	5.7
149.13258	2.8
151.11177	8.1
151.14722	3.1
153.05452	2.0
159.11650	5.1
161.13287	3.0
163.11197	4.7
163.14818	2.7
165.12807	2.3
173.13243	5.4
175.74945	1.2
177.12758	3.9
177.16374	1.5
187.14813	2.1
191.10657	1.9
191.14256	1.8
205.15804	3.2
209.11668	3.4
219.17506	1.7
237.11218	6.2
237.14818	4.1
237.18677	1.6
243.21027	5.9
257.18869	2.4
261.22107	8.9
275.20059	15.5
293.21094	35.5
293.24747	31.5
297.86404	1.4
314.90918	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2474
Annotation	Methyl alpha-Eleostearate
Peak:m/z	Relative Intensity
55.01865	3.1
55.05513	19.2
56.96564	4.0
57.03436	3.9
57.07081	6.2
57.16977	1.0
59.04995	3.0
61.02921	1.3
67.05505	31.8
69.03443	2.1
69.06496	1.3
69.07069	29.7
69.30238	5.4
69.30646	2.0
71.05002	5.2
71.08628	3.4
79.05495	22.9
81.03423	3.9
81.07059	76.9
83.04982	3.3
83.08616	13.7
85.02900	2.0
85.06535	6.0
88.15873	1.0
91.05480	13.2
93.07044	41.3
95.04991	8.9
95.08604	39.1
97.06541	11.1
97.10165	10.6
98.97542	1.6
99.08103	3.6
101.06015	1.2
105.07031	13.8
107.04968	4.5
107.08596	43.1
109.06508	3.6
109.10158	27.8
111.08091	3.1
111.11708	1.9
111.86144	1.1
113.09663	1.4
115.07570	23.9
116.98606	1.6
117.07023	3.5
119.08585	12.4
121.06555	1.5
121.10153	20.0
123.04425	1.3
123.08089	3.1
123.11710	53.2
125.09663	6.5
129.06956	1.3
129.09154	3.7
131.08589	7.0
131.92572	1.3
133.06441	1.0
133.10150	12.0
135.08069	2.5
135.11691	70.2
137.09593	3.9
137.13287	2.9
139.03880	1.1
139.11200	3.7
141.09117	1.5
141.12729	5.3
143.08553	1.6
143.10674	16.1
145.10127	6.8
147.11671	9.5
149.09624	4.3
149.13260	100.0
151.11174	9.0
151.14821	1.8
155.10699	3.7
157.10123	1.8
159.11707	4.4
159.13785	18.2
159.14980	1.5
161.13240	5.3
163.11176	2.9
163.14857	5.4
165.09012	1.2
165.12697	1.6
165.16425	1.7
169.10136	1.1
169.12291	1.0
173.13258	4.5
175.11266	1.2
175.14885	5.4
177.12784	1.9
177.16406	3.7
183.11711	1.5
187.11365	1.0
187.14818	2.7
189.11296	3.7
189.16454	1.8
193.15921	2.0
197.13318	1.7
201.16380	3.1
203.12816	3.4
203.17889	1.2
217.19539	4.5
219.13881	1.4
219.17503	1.8
221.15428	1.3
223.13214	1.5
239.18008	2.2
244.25563	1.3
245.25800	1.3
251.04263	1.4
257.18954	2.2
257.22662	7.5
275.17172	0.8
275.20096	19.5
275.23712	7.6
275.72830	1.2
293.05569	1.9
293.21091	20.1
293.24728	12.2
293.27835	7.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2475
Annotation	Methyl alpha-Eleostearate
Peak:m/z	Relative Intensity
52.03533	0.6
53.03953	1.8
55.01875	2.0
55.05513	11.2
57.07075	2.8
65.03945	2.3
67.05508	94.5
69.03439	1.4
69.07073	11.3
69.56925	3.8
70.41802	0.7
71.05003	0.9
71.08633	1.1
72.63232	0.7
77.03921	0.8
79.05499	16.9
79.05967	0.8
79.52576	0.6
81.03432	1.1
81.07059	100.0
83.04970	1.9
83.08613	8.1
85.06536	2.8
91.05485	8.4
93.07048	16.6
95.04995	3.6
95.08611	83.2
97.06533	3.3
97.10173	3.5
99.08097	2.0
105.07039	8.5
107.04944	1.0
107.08604	12.3
109.06505	2.6
109.10161	31.3
111.08076	2.4
111.11734	0.8
113.09662	1.0
115.07573	0.8
117.06992	3.2
119.08588	8.0
121.10141	10.5
123.08053	2.6
123.10827	1.3
123.11715	21.5
125.09620	1.9
129.09082	1.0
131.08580	8.6
133.10136	6.3
135.08037	2.0
135.11694	7.6
137.09589	2.4
137.13266	12.3
139.11163	0.9
141.09145	0.7
145.10133	6.7
147.11703	5.1
149.09602	5.0
149.13272	5.3
151.11163	4.9
151.14790	4.3
155.10651	0.7
157.10124	0.8
159.11702	6.8
160.42134	0.6
161.13229	4.4
163.11171	5.1
163.14813	3.7
165.12704	2.2
165.16394	1.0
167.10722	0.9
171.11678	0.7
173.13300	7.7
177.12738	3.8
177.16345	1.9
179.14272	3.0
181.12166	1.0
187.14815	4.9
191.14325	3.1
192.03702	0.6
195.13860	1.1
201.16364	1.8
205.15808	2.2
209.15413	1.4
215.18011	1.3
219.21024	1.6
223.16907	1.7
229.19453	1.1
233.22591	1.1
237.18481	1.3
239.17903	2.5
240.18028	0.7
243.21132	9.4
257.18893	2.7
261.19815	0.9
261.22189	8.8
275.20062	17.1
293.21075	4.7
293.24640	18.8
293.52966	0.6
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
53.03947	2.7
55.01878	10.7
55.05515	44.5
57.03434	3.1
57.07061	2.3
65.03938	2.7
67.05506	46.3
69.03414	3.6
69.07070	24.0
69.92443	5.0
69.92851	3.4
71.04981	5.5
71.08627	2.1
79.05491	49.1
81.03403	8.2
81.07057	41.9
83.05003	9.2
83.08617	19.6
85.06526	3.6
88.05667	1.9
88.19710	1.8
91.05482	32.8
92.82696	2.0
93.07043	32.5
95.04970	34.7
95.08608	36.5
97.06531	13.1
97.10185	16.4
99.08096	2.8
105.07037	42.6
107.04943	9.3
107.08595	88.5
109.06502	6.6
109.10166	18.6
111.08075	5.6
117.07073	9.6
117.07745	1.9
119.08597	26.7
121.06524	3.9
121.10139	18.2
121.10955	2.4
123.08076	6.3
123.11684	4.0
125.09629	17.3
129.07004	3.1
131.08574	15.0
133.06502	2.0
133.10130	26.2
135.08032	7.1
135.11699	6.9
137.09627	9.5
139.11133	5.0
141.06908	3.1
143.08530	2.1
145.10115	17.9
147.08061	3.0
147.11717	13.7
149.09608	19.9
151.11182	17.7
153.12714	2.2
155.10674	4.0
157.10071	2.3
159.11693	9.4
161.13251	5.0
163.11163	9.7
171.10286	3.3
171.11679	2.8
173.13269	6.2
177.12698	4.3
179.10576	2.2
183.11708	1.9
187.11166	4.0
187.14876	2.3
189.11223	15.0
189.12692	2.1
189.48808	1.8
197.13271	2.5
203.12724	2.4
223.13354	10.7
229.19524	4.7
229.87479	2.3
237.14867	3.3
237.54114	1.9
239.17999	8.2
247.20657	4.4
257.19009	11.5
263.02432	1.9
275.20074	100.0
293.21112	60.6
293.77347	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	293.2112
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
53.03932	4.3
55.01876	10.5
55.05273	1.7
55.05512	23.3
56.03151	1.3
57.03442	2.6
57.07074	2.1
65.03947	1.3
67.05507	37.7
67.50829	1.4
69.03429	2.8
69.07068	20.8
69.50523	9.6
70.49423	1.1
71.04977	3.9
76.30078	1.3
79.05495	35.2
79.53951	1.4
81.03415	5.1
81.06590	2.6
81.07059	52.1
83.05006	6.5
83.08627	12.2
85.06542	2.7
89.95696	1.4
91.05487	31.3
93.07043	28.7
95.04983	11.1
95.08610	30.2
97.06532	14.2
97.10178	12.1
98.97575	3.5
99.08083	2.4
103.05457	2.6
105.07030	36.9
107.04980	6.8
107.08595	41.7
109.06535	11.3
109.10166	17.1
111.08074	3.6
117.07001	9.3
119.07816	1.9
119.08591	23.5
121.06499	5.7
121.10163	14.2
123.08095	8.0
123.11716	5.6
125.09645	10.7
129.06999	1.9
131.04915	5.5
131.08583	13.1
133.06499	5.9
133.10133	16.5
135.08057	5.2
135.11688	7.7
137.09630	5.3
139.11160	2.6
143.08565	1.3
145.06494	1.5
145.10121	13.5
147.08044	3.2
147.11684	17.1
149.04897	1.4
149.09618	12.0
149.13249	4.0
151.11140	6.7
157.10074	4.1
159.11731	7.2
161.06018	3.0
161.09590	2.1
161.13239	4.1
163.11185	9.1
165.09009	2.8
165.12732	3.2
169.10117	3.2
171.11719	4.5
173.11801	1.4
173.13257	6.0
175.11195	2.7
177.12772	4.3
183.11693	4.2
183.22717	1.5
187.11191	2.0
187.14890	2.6
189.11240	9.3
190.59984	1.5
191.10597	1.4
191.14198	1.4
193.12198	2.3
197.13217	3.1
209.15219	1.6
229.07373	1.7
229.19542	3.9
239.17972	7.2
247.20590	5.9
257.19003	11.6
275.20065	100.0
293.11786	2.8
293.21091	33.5
293.28302	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.211
Annotation	12-OPDA
Peak:m/z	Relative Intensity
53.03954	18.4
55.01878	12.7
55.05512	53.4
56.96559	2.8
57.03431	3.3
57.07070	3.3
64.28974	1.5
65.03938	2.7
67.05505	49.4
69.03399	2.6
69.06737	2.2
69.07076	29.9
71.04982	4.6
71.08642	1.9
71.52485	1.8
73.06600	1.6
77.03928	2.1
79.05497	52.4
81.03421	36.5
81.06587	2.6
81.07056	45.0
83.04992	7.6
83.08623	67.3
85.06577	3.6
91.05484	37.7
93.07045	44.4
95.01301	2.2
95.04969	22.4
95.08057	2.7
95.08610	31.9
97.06533	10.1
97.10174	4.2
99.08098	2.4
103.05444	2.0
105.04546	1.6
105.07035	31.4
107.04957	57.6
107.08598	26.3
109.06522	8.9
109.10172	7.9
111.04457	1.6
111.08069	16.6
115.05450	1.8
116.65105	1.4
117.07006	14.5
119.08588	26.9
121.06483	4.5
121.10143	25.9
123.04444	2.2
123.08050	4.0
123.11674	1.9
125.09651	3.0
127.00504	1.6
129.07004	5.6
130.07790	2.0
131.04924	2.3
131.08566	16.0
133.10135	21.5
135.08055	20.0
135.11687	13.4
137.09624	3.9
139.11192	4.2
142.93213	1.5
145.06505	7.4
145.09021	3.1
145.10101	26.8
147.11690	14.5
149.09602	16.8
149.13284	3.3
151.11140	10.9
155.08536	8.1
157.10101	2.7
159.11739	10.2
161.13274	4.2
163.11177	29.9
165.12740	7.7
169.10117	1.6
171.11656	3.1
173.09631	16.1
173.13261	5.0
175.11205	2.4
177.12709	3.6
181.04976	1.4
181.12192	1.8
183.11684	2.6
191.10680	6.1
191.14343	2.9
197.13171	1.6
201.12811	3.5
203.12766	4.4
207.13815	1.9
209.11743	4.7
219.13777	2.6
229.34064	1.8
237.11307	3.5
247.20605	6.0
251.43233	1.5
257.19000	9.5
275.20071	98.8
290.04337	1.6
293.21112	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2111
Annotation	9-OxoOTrE
Peak:m/z	Relative Intensity
50.10871	2.8
53.03944	3.3
55.01878	31.7
55.05271	3.9
55.05515	58.3
57.03426	3.7
57.07069	4.1
59.04998	3.2
59.71551	3.0
65.18209	2.9
67.05182	3.8
67.05509	48.9
69.07082	15.6
70.80190	7.0
71.04994	7.7
79.05496	89.3
81.03402	5.0
81.07058	48.8
83.04985	25.2
83.08624	25.1
91.05492	33.6
93.06555	4.3
93.07050	40.9
95.04971	12.6
95.08616	19.7
97.06536	66.1
97.10176	27.1
105.07033	41.2
107.04956	40.9
107.08606	70.6
109.06495	11.1
109.10152	18.8
111.08150	3.5
117.07018	12.5
119.08590	24.2
121.06508	7.1
121.10168	21.2
123.08051	4.7
125.09658	24.2
131.08551	12.5
133.10127	27.0
135.08049	11.3
135.11688	5.7
145.10139	13.9
147.11745	17.8
149.09639	76.8
151.11160	8.6
153.09105	4.6
159.11716	11.5
161.13251	10.9
163.11160	5.6
169.12245	5.7
171.10106	3.7
173.11763	5.5
173.13287	7.4
177.12657	4.6
179.14349	5.4
189.11266	14.3
209.15396	4.7
215.18021	4.0
229.19531	10.4
239.17932	4.3
247.20610	4.6
249.44482	3.1
257.19019	16.6
275.20078	100.0
293.21152	15.8
307.97769	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2111
Annotation	9-OxoOTrE
Peak:m/z	Relative Intensity
53.03956	18.4
54.10512	3.0
55.01874	46.7
55.05511	45.9
57.03419	3.2
57.07074	7.8
65.03909	3.7
67.05505	59.9
69.03434	3.6
69.07074	34.9
69.75153	13.1
70.89897	3.2
71.04991	5.9
71.08620	11.6
79.05493	42.2
81.03419	58.3
81.07056	85.3
82.03624	3.1
83.04973	13.0
83.08608	16.7
85.06533	6.3
91.05485	47.5
93.07037	44.8
95.01319	7.2
95.04968	41.6
95.08612	55.7
97.06523	15.5
97.10182	8.1
99.08076	14.4
105.07030	63.3
107.04942	25.8
107.08588	21.6
109.06516	14.6
109.10155	13.3
111.04430	4.7
111.08104	4.3
117.07025	16.5
119.08588	37.0
121.06490	9.9
121.10136	14.3
123.04460	3.3
123.08097	16.2
123.11752	4.1
125.09634	45.8
129.07022	4.3
131.08545	25.4
133.10141	43.7
135.08078	11.0
135.11697	15.4
137.09622	9.2
139.11124	3.4
141.07036	4.4
143.08598	4.0
145.06451	4.1
145.10126	14.0
147.11676	16.5
149.09605	16.5
149.13272	8.3
151.11176	100.0
155.08521	3.8
157.10123	7.6
159.11678	18.4
161.09579	5.0
161.13304	3.7
163.11182	10.0
165.12784	7.3
169.10162	4.2
173.13210	4.1
177.12711	23.9
179.14249	9.0
187.11174	10.3
191.14206	3.7
195.13861	6.0
209.11719	3.8
223.13283	6.5
229.19441	8.5
239.18047	3.8
247.20601	9.5
257.19025	8.0
275.20065	89.7
293.21100	85.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.211
Annotation	13-epi-12-oxo Phytodienoic Acid
Peak:m/z	Relative Intensity
53.03907	1.3
55.01815	2.5
55.05453	7.8
57.03395	1.8
57.07037	1.0
67.05438	17.7
69.03381	0.9
69.07000	14.0
69.34050	6.0
71.04942	1.8
71.28095	0.6
79.05498	11.3
81.03371	0.9
81.07064	19.4
83.04979	4.6
83.08613	3.7
85.06500	0.9
91.05493	12.3
93.07048	16.3
95.04977	6.1
95.08619	15.5
97.06451	2.1
97.10110	2.0
101.17332	0.9
105.07040	17.9
107.04966	5.1
107.08591	11.2
109.06522	6.9
109.10157	7.3
111.08037	1.4
112.74152	0.7
117.07032	4.9
119.07828	0.9
119.08583	11.5
120.52279	0.8
121.06514	5.8
121.10164	7.7
123.08076	3.6
123.11630	2.1
125.09571	1.0
129.06973	1.6
131.08568	9.9
133.06432	2.1
133.10149	14.4
135.07961	3.3
135.11653	3.7
137.09608	3.6
137.13184	0.8
141.06934	0.9
143.08466	2.0
145.10115	7.9
147.08018	1.6
147.10695	0.8
147.11707	8.5
149.09616	4.0
149.13187	1.6
151.11209	5.4
152.67764	0.7
155.08553	1.3
157.10039	2.4
159.08006	1.2
159.11693	4.7
161.09581	2.3
161.13208	2.7
163.11183	4.4
165.12706	1.2
169.10133	0.9
171.11621	2.1
173.09659	1.2
173.13286	4.4
175.11145	2.0
175.14861	1.0
177.12753	1.6
179.14320	0.9
183.11632	1.9
185.13196	0.9
187.11153	2.3
187.14798	1.3
189.12697	1.2
191.14288	2.8
197.13319	1.9
199.14877	0.9
201.12773	2.3
205.15846	1.0
207.13759	2.1
215.17860	0.9
217.15950	0.7
219.13817	4.6
228.49599	0.8
229.19531	2.1
232.75058	0.7
233.15320	0.9
233.18996	1.0
239.17825	2.1
247.20569	2.1
257.19040	13.9
275.20078	100.0
293.21109	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	293.2111
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
50.28073	1.3
53.03938	4.5
53.62265	1.5
55.01875	15.9
55.05515	87.0
57.03442	11.0
59.04996	3.0
65.03954	1.6
67.05144	2.2
67.05508	44.5
69.03429	10.7
69.07069	21.9
69.60917	3.1
69.61323	6.5
71.04978	3.8
79.05496	44.4
81.03403	4.9
81.07061	71.5
83.04974	10.1
83.08623	57.0
83.09119	3.3
85.06535	5.5
91.05482	28.3
93.07045	31.7
95.04972	13.9
95.08607	18.8
97.06528	8.9
97.10174	100.0
99.08037	1.7
101.09631	2.7
103.05469	1.5
105.07044	25.9
106.03362	1.5
106.41361	1.7
107.04960	7.8
107.08606	40.8
109.06515	22.4
109.10165	12.2
111.08055	5.3
117.07038	14.6
118.20919	1.6
119.08581	15.5
121.06533	3.2
121.10127	11.2
123.08062	5.5
123.11694	3.2
125.09637	97.7
129.07072	2.0
131.08563	23.6
133.10144	18.7
135.08038	11.6
135.11713	5.1
137.09618	5.0
139.11102	2.2
143.08528	2.6
143.10683	5.8
145.10118	10.9
147.08098	2.0
147.11687	10.6
149.09605	10.9
149.13240	2.6
151.11188	6.3
153.09108	5.1
157.10144	4.0
159.11697	6.2
161.09671	1.9
161.13254	2.5
163.11234	4.0
165.12805	2.2
169.10086	2.2
171.10225	17.8
171.11679	3.5
173.13234	2.3
178.60785	1.7
181.12265	4.2
183.11711	2.4
185.13274	1.6
189.11221	83.5
197.13234	2.4
201.16359	3.2
219.17522	2.6
229.19576	3.3
239.17998	2.7
247.20570	4.5
257.18970	8.8
275.20084	75.7
277.83765	1.7
286.19333	1.7
293.21109	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	293.2112
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
51.91932	1.9
53.03947	4.9
55.01867	9.1
55.05513	24.9
57.03439	4.9
57.07062	2.9
67.05181	3.9
67.05509	50.9
69.03433	4.6
69.07076	25.3
70.68716	4.6
71.04987	4.8
71.08628	1.9
79.05067	3.8
79.05499	47.3
81.03417	7.8
81.07063	100.0
81.46069	2.6
83.04983	5.5
83.08632	15.1
91.05488	39.6
91.06023	3.5
93.07043	36.0
94.57973	2.1
95.04978	21.7
95.08615	34.9
96.20214	2.1
97.06548	7.4
97.10196	3.9
99.08109	5.0
105.07040	43.4
106.44551	2.1
107.04950	7.0
107.08596	32.2
109.06521	25.6
109.07629	3.3
109.10152	25.1
111.08098	4.7
113.06038	2.8
114.61955	2.2
117.07006	13.2
119.08585	48.8
121.06492	5.3
121.10112	14.3
123.08074	12.7
123.11728	9.4
125.09626	4.1
129.07040	3.2
131.08574	12.4
133.10133	32.3
135.08073	10.4
135.11667	5.5
137.09627	8.4
139.11166	2.2
143.08566	3.2
145.10141	10.9
147.11696	19.1
149.09633	12.6
149.13257	3.9
151.11180	15.8
152.97272	2.1
157.10129	5.2
159.11702	8.5
161.09656	5.1
161.13216	3.4
163.11185	5.6
165.12729	3.3
166.99686	2.1
169.10097	2.5
171.11638	2.5
173.09636	3.2
173.13263	5.6
175.11211	4.2
177.12799	6.5
183.11665	3.7
189.11240	4.0
223.13251	3.1
229.19580	3.1
237.14941	3.0
239.17976	6.5
247.20625	8.4
257.19055	9.2
265.21704	2.5
266.11417	2.2
275.20074	91.5
293.21103	67.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2112
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
53.03939	5.0
55.01873	14.7
55.05511	21.9
56.02186	2.0
56.05843	1.8
56.96574	11.0
57.03434	10.5
57.07087	11.1
59.29341	1.5
65.03965	1.9
67.05508	45.8
68.05829	8.1
69.03423	5.1
69.07071	36.1
69.38210	12.4
70.07379	2.0
71.04990	6.5
71.08636	10.7
73.49229	1.4
77.03894	1.7
79.05500	38.2
80.05830	7.6
81.03423	27.3
81.07063	49.4
82.07392	5.2
82.43533	1.6
83.04982	6.3
83.08621	7.4
85.06538	7.6
85.31264	1.6
86.09738	1.7
91.05486	34.3
92.05828	3.9
93.07051	36.2
94.06561	2.7
94.07397	4.8
95.04975	53.7
95.08611	30.7
96.05304	5.9
96.08935	2.6
97.02904	2.2
97.05553	1.9
97.06521	10.5
97.10161	6.1
98.20778	2.7
98.97578	6.5
99.08103	10.9
101.06045	2.2
105.07043	27.9
106.07361	3.2
107.04932	11.5
107.08603	29.8
108.05335	2.1
108.08952	5.6
109.06521	24.3
109.09513	2.2
109.10159	13.9
110.06862	15.2
111.07152	1.8
111.08069	3.9
113.06023	2.1
115.05502	1.9
116.98631	3.7
117.07047	9.7
118.07362	2.6
119.08583	18.6
121.06560	5.3
121.10135	13.7
123.04410	2.8
123.08104	5.4
123.11758	3.3
125.09644	2.8
129.07010	3.2
131.00218	3.2
131.08569	15.3
132.08902	4.0
133.09247	2.7
133.10135	16.8
135.08064	23.7
135.11716	4.4
136.08389	19.9
137.08612	8.4
137.09668	7.7
139.11237	3.6
141.09169	5.3
143.08566	4.8
145.06587	1.7
145.10117	12.3
147.10677	1.8
147.11749	6.1
148.08580	1.8
149.01176	3.0
149.09613	11.3
149.13303	5.3
150.10086	2.5
151.11189	100.0
155.08546	1.9
155.10786	2.0
157.10156	2.6
159.11766	10.7
161.09651	4.2
161.13255	2.5
163.11240	5.0
165.12787	5.0
167.02364	1.8
169.10110	1.9
171.11769	2.9
173.13361	2.3
177.12819	12.1
183.11716	2.4
185.13260	2.4
191.14485	2.3
199.14893	1.9
200.48927	1.6
201.12956	2.1
217.07535	2.0
217.15836	3.2
218.16281	2.4
219.16661	3.7
223.13380	3.5
237.14903	5.2
239.17807	2.1
247.08636	2.5
247.20523	5.4
251.08472	2.3
251.58755	2.1
257.19000	6.4
275.20062	59.1
292.62790	2.7
293.21011	97.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2111
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
53.03931	5.0
55.01877	9.2
55.05263	2.4
55.05511	26.6
56.96558	1.6
57.03421	5.2
57.07072	3.9
58.40987	1.4
65.03935	3.4
67.05506	47.7
69.03413	3.0
69.07069	24.4
71.04990	3.1
79.05494	45.9
81.03441	7.6
81.07058	100.0
83.04974	4.8
83.08617	16.0
85.06542	3.7
91.05484	38.7
93.07048	35.7
95.04974	19.9
95.08609	35.7
97.06520	12.5
97.10147	5.8
99.07451	1.5
99.08076	3.7
105.07031	40.1
107.04957	9.4
107.08592	34.8
109.06519	26.8
109.10162	14.9
111.08079	7.1
117.07033	11.5
119.08582	35.6
121.06553	3.7
121.10154	12.7
123.08086	13.2
123.11718	7.4
125.09637	6.1
125.93533	1.4
129.06982	3.3
131.08575	15.7
133.06454	2.0
133.10133	24.1
135.08087	8.4
135.11703	11.6
137.06033	1.5
137.09612	6.1
139.11166	2.3
143.08537	4.2
145.10121	14.5
147.11674	16.6
149.09616	11.6
149.13258	5.1
151.11174	6.3
155.08615	1.8
157.10114	5.9
159.11700	10.4
161.09573	2.0
161.13290	4.6
163.11208	10.5
165.12741	3.7
169.10136	2.1
171.11667	4.6
173.13245	6.8
175.11124	2.3
177.12726	2.9
183.11674	3.2
187.11197	2.0
187.14714	2.2
189.11205	4.1
189.12733	2.7
191.75882	1.6
193.12198	3.3
197.13225	1.9
201.12842	2.3
201.16360	2.1
205.15724	1.8
219.17329	1.8
223.13266	1.7
229.05881	2.1
229.19521	4.2
239.17943	5.9
247.20613	8.4
257.19061	13.1
275.20071	98.7
293.21094	44.5
310.20508	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.211
Annotation	9-OxoOTrE
Peak:m/z	Relative Intensity
53.03939	6.9
55.01634	2.0
55.01875	27.4
55.05268	2.8
55.05515	32.2
57.03426	5.4
57.07086	9.5
60.98394	1.3
64.06731	1.6
65.03920	2.8
67.05506	48.6
69.03426	3.8
69.06732	2.0
69.07071	21.6
71.04991	5.9
71.08618	2.0
79.05497	35.3
81.03416	20.2
81.07062	57.8
83.04978	10.8
83.08623	15.8
85.06541	9.5
85.10197	2.9
91.05476	33.8
93.07053	33.0
95.04969	30.2
95.08606	36.2
95.09182	3.0
97.02885	3.4
97.06565	7.8
97.10177	6.9
98.20713	3.1
99.04449	2.2
99.08090	2.5
101.23894	1.4
105.06395	2.5
105.07040	31.0
107.04965	14.7
107.08599	24.7
107.36735	1.6
109.06526	14.2
109.10161	22.5
111.04433	10.8
111.08061	5.4
113.09658	1.9
117.07059	7.5
119.08588	20.2
121.06532	10.2
121.10144	18.5
121.55697	1.7
123.04406	4.0
123.08073	11.5
123.11715	5.1
125.09627	26.7
127.07572	3.4
129.07008	2.1
131.08583	13.7
133.06497	3.4
133.10139	27.0
135.08072	8.3
135.11667	9.8
137.09618	40.7
139.11179	1.9
141.06987	1.8
143.08542	2.1
145.10123	12.0
147.08060	1.8
147.11714	10.4
149.09650	10.4
149.13255	5.7
151.11186	23.7
153.12708	2.1
155.08554	2.0
157.10141	2.4
159.11656	7.3
161.09595	4.6
161.13303	3.8
163.11182	12.8
163.14835	4.8
165.09183	9.0
165.12746	3.5
167.10521	1.6
169.12263	2.6
171.11700	1.8
173.09526	2.2
173.13271	7.2
175.11104	1.5
175.14960	1.8
176.26595	1.5
177.12740	10.5
179.10703	2.3
179.14359	1.9
181.12190	3.4
183.11745	1.8
187.11163	2.4
187.14906	3.1
189.12712	1.7
191.10709	2.9
191.14322	4.7
193.12306	2.2
195.13802	1.9
197.13234	1.9
201.12689	2.2
207.13863	3.3
209.11742	3.1
215.14378	1.6
219.13776	1.9
223.13226	2.7
229.19527	6.6
229.46677	2.1
233.18910	1.5
237.11346	2.0
237.14885	1.8
239.17976	3.4
247.20610	11.0
257.19067	13.4
265.21643	3.9
275.20065	73.6
293.21115	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.0634
Annotation	Unknow
Peak:m/z	Relative Intensity
57.11193	1.7
62.65354	2.0
70.34824	4.3
70.35171	3.3
94.06602	2.1
117.51992	1.7
132.02087	4.3
176.01117	11.7
191.98297	5.1
251.04211	2.3
251.56863	1.9
253.80444	1.7
293.06329	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.1859
Annotation	Unknow
Peak:m/z	Relative Intensity
54.18100	0.5
55.01871	1.6
55.05512	3.9
56.05025	1.1
56.96566	2.4
57.03439	1.0
67.05494	4.2
69.03427	1.6
69.07059	2.3
69.39977	3.1
69.40408	1.7
70.06579	1.4
71.04984	1.6
72.04518	20.6
72.08153	1.2
73.02924	0.8
77.17767	0.6
79.05498	6.2
80.05013	5.1
81.03393	0.8
81.07050	7.1
82.06585	0.9
83.04985	1.2
83.08606	1.3
84.08125	0.8
84.96056	0.7
85.02899	1.7
86.09716	0.8
87.05593	3.3
89.03935	1.2
91.05493	4.8
93.03407	0.6
93.05786	3.4
93.07046	9.4
94.06570	1.6
95.04988	1.5
95.08587	4.1
96.08102	1.2
97.02911	1.8
97.06522	1.5
98.97621	2.9
99.04470	1.4
103.05439	0.9
105.07040	7.2
106.06551	2.2
107.05035	0.7
107.08596	5.6
108.08117	100.0
109.06519	1.3
109.08897	2.7
109.10149	1.0
110.09715	1.1
110.97566	1.0
116.03445	0.7
116.98602	1.4
117.03371	1.8
117.07022	1.8
118.06509	0.7
119.08577	6.6
120.08088	3.5
121.08883	2.3
121.10104	1.0
122.09666	8.2
123.04402	0.9
123.08035	1.0
124.07618	0.6
128.98607	0.7
129.06992	0.8
130.28966	0.6
131.08568	2.2
132.08058	0.9
133.10124	4.4
134.09656	11.7
135.10608	1.0
135.11691	5.7
136.07568	0.9
136.11211	1.0
138.09085	0.7
139.03893	1.9
140.04239	1.3
141.04326	1.0
143.00188	1.2
144.08200	1.0
145.02827	3.2
145.06165	1.4
145.10150	1.7
146.09657	1.4
147.04427	1.0
147.11720	1.0
148.07559	1.5
148.11217	5.5
149.05966	1.2
149.07050	0.7
149.13278	0.8
151.08687	3.4
152.07042	1.8
158.99716	0.7
159.07878	1.1
159.11700	1.6
160.11171	0.9
161.01247	1.2
161.10811	1.4
161.13228	6.6
162.09152	1.0
162.12778	1.7
163.03929	1.4
164.07112	0.7
165.07886	3.1
165.10242	2.3
166.08652	7.5
169.10129	0.7
170.99603	0.9
171.07864	0.9
171.37445	0.6
173.06180	0.7
176.14342	6.1
177.00665	0.9
177.05466	6.8
177.10239	3.6
177.15135	2.6
178.08536	0.8
178.15924	1.6
179.11800	24.8
180.10254	1.4
180.12524	1.6
181.13358	2.9
188.14264	3.2
190.15930	3.6
191.07153	0.7
195.07674	3.3
202.15961	0.8
203.14522	0.7
204.10255	0.7
205.09708	4.6
206.08133	15.4
208.09654	2.4
215.07112	0.7
219.01799	1.0
223.10770	41.1
224.11577	2.8
225.12329	14.8
230.15373	1.3
234.14888	9.7
237.02876	1.3
247.18094	1.8
249.19638	5.3
261.03430	1.8
275.17441	2.8
275.20102	0.9
276.15909	6.0
277.05859	0.8
293.14539	4.0
293.18576	68.0
295.06970	1.3
303.04935	1.7
311.06378	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.2683
Annotation	9-Geranyl-alpha-terpineol
Peak:m/z	Relative Intensity
53.03952	2.1
55.01888	3.8
55.05513	23.8
56.96561	1.6
57.03435	3.2
57.07077	12.0
59.04998	1.7
65.03950	2.4
67.05507	34.6
68.99782	0.9
69.03429	4.4
69.07070	46.3
69.38551	3.9
69.38957	1.4
71.04993	5.5
71.08629	4.4
73.06570	0.8
79.05495	21.0
81.03423	4.6
81.07059	100.0
83.04984	3.9
83.08620	21.1
85.02915	1.1
85.06559	5.6
85.10183	2.0
91.05480	14.6
93.07043	31.7
95.04969	9.0
95.08609	86.1
97.02879	1.5
97.06537	5.8
97.10170	12.8
98.97579	1.8
99.08104	2.7
105.07034	20.5
107.04962	8.9
107.08598	38.8
109.02864	0.7
109.06525	9.8
109.10159	53.4
111.04475	1.0
111.08097	5.8
111.11724	8.3
113.09621	0.9
115.05443	0.9
116.98601	1.1
117.07026	5.4
119.04927	2.0
119.06033	0.8
119.08585	18.1
121.06501	2.9
121.09482	0.6
121.10147	27.6
123.04429	23.7
123.08064	3.4
123.11708	53.0
124.12080	0.9
125.09647	2.6
125.13257	2.5
127.03950	0.9
127.11194	1.1
129.07018	3.9
131.08589	5.8
131.28230	0.7
133.06522	1.0
133.10141	12.0
133.98891	0.7
135.08081	8.6
135.11690	23.4
137.09625	3.2
137.13258	15.9
139.03902	39.6
139.11192	4.4
141.12753	1.1
142.07712	0.8
143.04962	1.7
143.08551	2.3
145.10114	9.9
147.04433	9.4
147.08023	2.3
147.11696	14.7
149.09616	5.0
149.13260	23.2
151.03886	1.3
151.07611	1.0
151.11156	1.6
151.13815	0.7
151.14842	4.6
153.05490	0.8
153.12747	5.7
157.06517	1.6
157.10139	2.4
159.08044	1.0
159.11676	4.0
161.05962	2.9
161.09616	3.0
161.13261	9.9
163.03894	1.5
163.11183	1.1
163.14810	18.1
165.05464	5.6
165.12747	3.2
165.16389	1.3
167.05019	0.8
167.10699	1.0
167.14339	2.6
169.05107	0.8
171.11696	2.6
173.13293	1.5
175.11192	1.2
175.14807	5.3
177.12727	0.8
177.16373	12.0
179.07069	1.6
179.14374	1.7
179.17970	3.4
181.15814	0.9
185.13307	1.3
187.14879	1.6
189.09082	0.9
189.12737	1.5
189.16403	4.6
191.14378	0.7
191.17969	3.3
195.11757	1.4
195.17361	0.9
199.07385	0.9
199.11247	1.0
199.14822	0.8
199.57481	0.8
201.16351	1.0
203.17946	6.0
205.19504	2.1
207.06512	2.4
207.17384	0.9
212.16043	0.8
217.08675	1.3
217.15871	2.0
217.19475	9.2
219.21161	1.6
221.19147	1.0
227.07014	1.3
227.17931	1.5
231.21042	0.9
235.13202	0.9
235.20604	1.6
237.16469	1.4
245.08058	1.5
245.22568	0.9
247.24069	1.1
249.07840	0.8
249.11034	1.6
255.17451	2.0
255.21156	2.2
273.07550	1.2
273.18469	10.8
273.22165	2.9
273.25748	23.1
291.08524	5.5
291.15790	2.2
291.19547	27.0
291.23218	3.2
291.26791	61.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.2319
Annotation	sterculynic acid
Peak:m/z	Relative Intensity
50.58087	1.4
51.02366	1.7
53.03934	5.1
55.01851	1.7
55.05516	16.8
57.07059	2.2
58.20039	1.2
59.04992	1.4
65.03925	1.9
67.05178	2.4
67.05508	30.2
67.51073	1.3
69.07074	12.0
69.86045	1.2
70.77098	1.5
70.77427	2.2
73.06587	1.3
79.05500	68.4
81.07063	40.4
83.04974	2.2
83.08627	7.4
85.06542	4.0
91.05492	22.3
93.07050	100.0
95.04965	4.1
95.08614	25.9
97.06501	3.0
97.10166	5.8
102.70541	1.4
105.07040	16.9
107.08601	48.1
109.06533	2.7
109.10180	15.2
111.08124	1.7
112.06849	1.5
117.07034	2.2
119.08582	13.0
121.10154	49.1
123.08068	2.0
123.11696	5.1
129.07016	2.7
131.08585	4.1
133.10110	12.6
135.08086	1.8
135.10699	2.9
135.11703	51.5
137.09648	1.7
143.08580	2.1
145.10121	3.8
146.94591	1.3
147.11716	10.1
149.09731	3.1
149.13268	27.8
151.11052	1.5
159.11673	3.8
161.13260	7.9
163.11182	1.6
163.14857	8.6
171.11684	3.9
173.13185	3.4
175.11157	2.1
175.14822	3.9
177.12791	2.8
179.95288	1.3
185.13263	3.6
199.14816	2.7
209.15359	1.6
212.19574	1.5
213.16331	1.9
217.15927	1.9
217.19606	2.6
235.16972	2.4
241.19556	5.1
259.20645	6.2
269.96252	1.3
291.20020	2.5
291.23187	64.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.2318
Annotation	sterculynic acid
Peak:m/z	Relative Intensity
52.06507	1.4
53.03933	5.1
55.01867	4.1
55.05272	1.8
55.05515	26.5
56.96561	2.4
57.07059	6.3
65.03924	2.0
67.05505	44.8
69.03426	3.0
69.06730	2.1
69.07065	27.8
71.04986	2.7
71.08611	4.7
71.37830	2.5
73.06557	1.5
76.95573	1.8
79.05492	49.8
81.03418	2.6
81.06596	3.1
81.07058	57.5
83.04977	3.7
83.08621	13.8
85.06525	5.5
85.58254	1.7
91.05479	43.9
93.07044	100.0
95.04952	6.7
95.08604	35.4
97.02882	4.8
97.06512	5.8
97.10147	6.5
99.04461	2.2
99.08071	2.1
101.06012	3.5
105.04483	1.9
105.07034	35.9
107.04949	8.6
107.07885	3.1
107.08594	49.0
107.09311	3.2
109.06507	6.3
109.10160	11.0
111.08059	3.3
117.07001	5.9
119.07813	2.6
119.08588	31.8
121.06483	4.7
121.10142	30.8
121.29562	1.4
123.04428	18.4
123.08084	4.7
123.11678	6.4
125.09637	2.5
129.05455	1.4
129.07011	5.9
131.08580	10.9
133.03467	8.7
133.06509	1.9
133.10135	22.2
134.03532	1.5
135.08031	6.4
135.11690	19.4
137.09595	4.3
139.03896	27.2
141.09151	1.8
143.04832	1.8
143.08545	5.7
145.10138	11.2
147.04391	4.7
147.08061	4.4
147.11693	23.7
148.04742	3.2
149.09564	8.0
149.13269	18.0
151.04521	1.8
151.07520	2.5
151.11244	1.7
157.10129	7.6
159.11684	6.8
161.05942	2.0
161.09589	5.7
161.13258	19.3
163.11160	4.8
163.14818	16.4
165.05417	4.7
165.09093	3.4
171.11668	8.2
173.13208	4.2
175.04518	2.8
175.11165	4.5
175.14816	14.8
177.12685	2.4
177.16374	4.2
179.14244	1.8
184.07455	1.6
185.13257	5.8
189.12753	6.7
193.12309	2.2
193.15964	2.0
199.14835	4.2
203.14349	3.2
207.13847	3.6
211.04480	2.6
213.16348	3.0
215.17926	3.1
217.05524	2.4
217.15932	2.5
217.19505	20.3
221.15303	4.9
222.35101	1.5
229.48302	1.5
231.17430	3.8
231.21046	6.5
235.16960	4.1
236.09544	1.8
238.82974	1.6
241.17523	1.7
241.19562	12.8
249.18530	1.9
259.20590	19.4
268.50974	1.7
273.18469	6.1
291.08600	2.2
291.16501	3.0
291.19553	27.0
291.23148	96.3
295.08618	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	291.1955
Annotation	Tuberatolide A
Peak:m/z	Relative Intensity
52.82888	0.5
53.03939	1.0
55.01879	3.2
55.05514	7.1
56.93472	0.5
56.96562	0.9
57.03440	3.0
57.07072	1.8
59.04995	1.3
65.03940	1.2
66.76211	0.6
67.05504	8.4
68.50571	0.5
69.03430	3.0
69.07075	12.5
70.70414	1.6
71.04987	2.0
71.08628	0.6
79.05492	14.5
81.03407	2.0
81.07057	16.5
83.04984	2.7
83.08615	3.8
85.02889	0.9
85.06538	2.0
91.05485	10.5
93.03383	0.6
93.07045	23.2
95.04974	3.5
95.08604	14.1
97.02859	1.0
97.06532	2.5
97.10169	2.1
98.21422	0.7
98.97571	1.1
102.02576	0.5
105.04493	0.8
105.07034	13.4
107.04967	5.6
107.08602	12.8
109.06524	20.5
109.10160	6.6
111.04410	1.3
111.08075	1.2
111.11722	2.6
115.05444	1.0
117.07018	4.7
119.04967	1.1
119.08580	8.6
121.06561	3.4
121.10149	33.5
123.04428	10.8
123.08066	3.7
123.11733	3.4
125.09625	4.0
128.06177	0.9
129.06998	3.8
131.08549	6.6
133.06490	2.2
133.07492	0.7
133.10132	3.2
135.08055	13.1
135.11703	3.3
137.09613	2.2
137.13240	1.5
139.03905	18.1
139.11186	2.3
140.04199	0.6
141.07022	0.6
142.07780	1.2
143.08510	2.8
145.10129	5.9
147.04405	3.2
147.08066	2.4
147.11668	3.7
149.09628	14.0
149.13249	1.8
151.03915	1.1
151.07527	2.1
153.05443	0.8
153.06969	0.6
155.08568	0.9
155.10649	0.6
157.06465	1.8
157.10123	4.6
159.08089	1.5
159.11690	1.7
161.05980	1.4
161.09665	3.0
161.13225	1.4
163.11230	1.7
165.05463	3.2
167.10678	100.0
169.10185	1.0
171.11720	2.5
173.09624	1.7
173.13283	3.2
175.11154	3.5
177.05467	1.1
177.12721	1.0
178.60895	0.7
179.06989	0.9
183.11726	0.9
185.13258	1.2
187.14824	0.8
189.09111	0.8
189.12750	1.8
191.10681	3.6
191.14348	2.7
195.11707	0.8
197.13248	2.1
199.07617	0.6
199.11246	0.7
199.14880	1.0
203.14548	0.6
207.06580	0.9
213.16380	1.4
215.14241	3.0
217.12189	1.6
217.15855	3.5
217.19481	0.8
227.07010	0.8
227.17833	0.7
233.15340	11.4
237.16380	0.7
245.08052	1.6
245.18887	1.3
249.10957	0.8
255.17516	3.6
273.04651	0.6
273.07541	0.7
273.18503	13.6
273.21808	0.7
273.22879	0.6
273.25757	2.1
279.08554	0.7
291.08441	2.7
291.19525	27.4
291.26648	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	291.1956
Annotation	Ecklonialactone A
Peak:m/z	Relative Intensity
53.03939	2.1
55.01870	3.8
55.05521	12.4
57.03432	4.4
57.07067	3.8
67.05504	15.9
69.03426	3.7
69.07072	9.4
71.04984	5.7
71.16425	2.9
77.17968	1.5
79.05508	17.6
81.03404	6.1
81.07067	16.5
83.04982	5.0
83.08622	8.1
85.02896	2.2
85.06536	4.3
91.05492	14.7
93.07046	20.1
95.04981	8.7
95.08613	24.8
97.06526	6.6
97.51608	1.7
105.07056	13.9
107.04308	2.2
107.04966	28.0
107.08604	16.2
109.06531	10.2
109.10149	7.6
111.04471	1.7
111.08088	41.1
113.09657	2.2
117.07014	6.3
119.08578	15.0
121.06500	4.7
121.10182	9.0
122.07222	1.7
123.04437	13.2
123.08076	35.0
123.11761	2.2
125.09626	4.0
129.07005	1.6
131.08569	11.2
133.06502	3.8
133.10167	12.4
135.08061	10.1
135.11722	4.0
137.09610	4.4
139.03896	19.0
142.07782	2.9
143.08598	4.0
145.10127	11.5
147.04393	5.2
147.08041	6.0
147.11708	8.7
149.09621	15.7
151.07547	100.0
155.10641	3.0
156.09294	1.9
157.10135	5.5
159.08070	4.0
159.11653	3.2
161.05948	1.9
161.09628	5.6
163.11179	6.2
165.05513	2.5
165.09117	2.6
171.11690	6.1
173.09651	2.3
173.11882	2.0
173.13232	8.8
174.62595	1.6
175.11156	4.8
177.09128	2.4
179.10617	5.3
181.12297	2.5
185.13339	2.3
189.12758	29.1
191.14258	13.8
192.11461	3.8
197.11737	20.8
197.13341	2.0
207.13820	72.5
213.16469	2.1
215.14337	3.4
217.12285	5.6
231.17584	2.0
233.15375	52.0
235.13390	2.2
243.90543	2.1
249.18515	3.3
255.17400	3.9
270.10477	1.8
273.18527	24.9
291.08783	2.0
291.19543	95.8
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
53.03936	1.2
55.01866	2.2
55.05511	5.7
55.06004	0.7
57.03420	2.3
57.07063	2.4
59.04991	2.3
62.30751	0.7
67.05196	0.9
67.05516	7.1
69.03413	2.9
69.07049	3.5
70.13515	2.5
70.13926	1.5
71.04984	3.2
79.05499	7.2
81.03411	1.9
81.07054	12.2
83.04977	2.8
83.08617	4.5
85.02940	0.9
85.06525	2.8
91.05483	7.5
93.06489	1.1
93.07049	16.0
95.04981	5.5
95.08604	13.8
97.06530	5.6
105.07033	12.6
107.04963	8.7
107.08593	9.8
109.06522	12.0
109.10169	4.0
111.04467	1.6
111.08090	26.2
113.09641	1.9
117.07018	4.5
119.08585	9.8
119.09399	1.5
121.06502	4.1
121.10141	7.1
122.07285	1.6
123.04420	2.7
123.08072	35.3
123.11685	1.8
125.09612	2.4
129.06990	3.1
130.07802	1.6
131.08594	8.9
133.06471	4.6
133.10147	8.1
135.08052	8.1
135.11691	3.4
137.05984	1.2
137.09601	4.4
139.03912	4.1
139.11118	1.0
142.07758	1.0
143.08560	2.6
144.09341	1.3
145.10121	16.7
147.08072	4.4
147.11684	9.1
149.09630	8.1
151.07544	100.0
155.10645	2.8
156.09367	2.3
157.10150	7.0
159.08022	1.7
159.11682	6.0
161.09622	5.7
161.13271	2.3
163.11197	3.4
165.09064	1.1
169.10139	1.0
169.12279	1.4
171.11688	3.8
173.09680	1.2
173.13266	6.0
174.10376	2.1
175.11229	5.4
177.09126	2.6
177.12785	3.2
179.10634	3.7
181.12227	1.5
185.09706	0.9
185.13219	1.5
187.11150	5.3
187.14792	1.9
189.12743	28.3
191.10664	1.9
191.14328	6.1
192.11443	3.7
193.12427	1.0
197.11716	16.5
197.13287	2.5
200.11908	0.8
203.14308	2.3
205.12241	1.9
205.15952	0.8
207.13803	62.1
211.14926	1.1
213.16402	2.9
215.14301	6.9
217.12219	4.8
217.15808	1.7
231.17441	2.8
233.15373	21.6
235.13257	1.2
245.19098	0.9
255.17491	3.9
257.84766	0.8
264.58475	0.8
273.18484	13.3
279.76968	0.9
291.19540	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	291.1955
Annotation	Ecklonialactone A
Peak:m/z	Relative Intensity
53.03930	0.7
53.68688	0.2
55.01872	1.9
55.05513	6.5
55.55252	0.2
56.13241	0.2
56.96567	0.4
57.03436	0.8
57.07051	0.5
59.37461	0.2
60.93537	0.2
65.03936	0.4
67.05505	5.6
69.03426	0.8
69.07063	4.0
69.77916	1.3
71.04987	0.8
71.08607	0.3
77.03893	0.2
79.05491	6.5
81.03419	1.5
81.07056	6.5
83.04995	1.2
83.08621	3.2
85.06541	0.5
91.05481	5.2
93.07043	6.7
95.04964	2.7
95.08604	3.2
97.02882	0.4
97.06528	0.7
97.10169	2.8
98.90956	0.2
99.08085	0.3
103.05469	0.3
105.03384	0.4
105.07036	5.8
107.04962	5.7
107.08584	3.0
108.05690	0.3
109.02848	0.3
109.06527	1.3
109.10130	1.3
111.08070	0.4
115.05441	0.5
116.06289	0.4
117.07021	2.4
119.04227	0.2
119.04937	1.5
119.08586	4.9
120.05698	0.6
121.06509	2.0
121.10108	2.0
123.04418	3.0
123.08099	1.1
123.11745	0.6
125.09634	1.3
128.06221	0.3
129.07024	1.6
131.04929	0.3
131.08578	2.8
133.06487	2.5
133.10129	1.4
134.07249	1.0
135.08031	1.5
135.11674	0.5
137.09648	0.6
139.03891	5.0
142.07726	0.3
143.08527	1.4
145.06493	0.4
145.10114	2.2
147.04398	0.9
147.08055	2.9
147.11636	0.6
149.09642	2.4
149.13284	0.4
151.07523	0.4
157.10120	1.0
159.08115	0.2
159.11650	0.6
161.05904	0.4
161.09616	1.1
161.13336	0.3
162.10356	1.3
163.11185	1.1
165.05472	0.8
165.09145	1.2
171.11787	0.4
175.11185	0.9
177.12775	0.4
185.13216	0.3
189.11209	0.3
189.12820	0.3
207.06497	0.3
207.13838	0.3
217.15857	0.3
223.13313	0.9
234.81468	0.2
235.13327	0.3
245.61192	0.2
249.14888	1.5
255.17325	0.4
261.14847	0.3
273.18478	3.6
291.19540	100.0
292.19785	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1955
Annotation	Tuberatolide A
Peak:m/z	Relative Intensity
51.55566	1.0
52.32069	1.0
53.03951	5.0
55.01874	11.2
55.05511	20.5
57.03423	4.1
57.07048	1.9
60.64082	1.1
65.03946	2.7
65.84777	0.9
67.05508	35.4
69.03421	2.8
69.06731	1.4
69.07067	18.2
71.04980	3.3
72.20232	1.0
79.05497	34.9
81.03426	13.1
81.07059	41.4
83.04985	8.5
83.08630	8.0
85.06528	1.6
91.05483	33.9
91.64328	1.0
93.07043	38.4
95.04974	13.8
95.08613	32.7
96.60925	1.1
97.06512	3.6
97.10162	3.8
98.20792	2.7
103.05454	2.6
105.04509	1.4
105.07039	28.9
107.04961	42.4
107.08599	21.7
109.06525	11.7
109.10155	11.7
111.04430	2.8
111.08092	4.9
115.05412	1.4
117.07019	10.5
119.04955	1.6
119.08584	21.1
121.06510	15.4
121.10146	11.1
123.04433	6.0
123.08075	10.8
123.11690	2.5
125.09626	3.2
128.06209	1.9
129.07027	9.6
130.07797	1.7
131.08565	15.0
133.06491	8.1
133.10146	16.4
135.08058	16.2
135.11703	6.5
137.09616	5.5
139.03914	7.7
139.07570	2.5
139.11128	1.3
142.07730	1.8
143.08565	8.0
145.10123	11.3
147.08047	9.6
147.11691	6.5
148.88490	1.2
149.09621	26.5
151.07539	3.0
151.11110	5.0
153.09143	1.1
155.08505	1.5
157.10103	6.8
159.08029	3.2
159.11681	3.4
161.09624	11.3
161.13252	2.8
162.28346	1.0
163.11195	3.6
163.96851	1.1
165.09116	2.8
165.12781	1.6
167.10638	2.0
169.10106	1.5
171.10355	1.4
171.11591	4.9
173.09636	1.7
173.13264	1.7
175.11191	6.8
177.09122	2.9
177.12714	1.0
179.10661	2.7
181.12090	1.4
183.11745	1.2
185.09619	1.4
185.13290	1.9
187.11195	2.8
189.12712	3.4
193.12186	1.5
195.11708	1.3
199.11166	2.4
199.14835	2.0
203.14355	1.6
207.13898	1.3
213.12701	1.5
213.16553	1.8
217.12396	1.5
217.19493	1.1
221.11554	1.1
223.13129	1.4
227.17973	3.7
231.13930	1.3
235.13243	2.1
235.17024	1.1
237.16339	2.1
245.18988	9.2
249.14848	1.8
255.17419	5.7
263.20068	5.4
273.18518	44.1
291.19547	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	291.1955
Annotation	Tuberatolide A
Peak:m/z	Relative Intensity
53.03939	4.8
54.15466	1.2
55.01870	10.1
55.05513	19.1
57.03439	11.2
59.41405	1.2
65.03930	4.4
67.05505	56.7
69.03420	4.3
69.07063	12.5
69.83314	4.5
69.83720	2.5
71.04976	4.3
79.05495	51.0
81.03401	5.7
81.07056	87.2
82.57204	1.4
83.04977	8.7
83.08612	5.3
85.06528	3.7
91.05486	33.3
93.07042	30.8
95.04970	69.1
95.08603	15.3
97.06531	9.0
97.10154	4.2
105.04513	1.6
105.07034	23.2
107.04964	19.7
107.08593	22.1
109.06518	100.0
109.10117	5.1
111.08099	4.1
115.05442	2.7
116.06240	3.0
117.07018	15.2
119.04948	3.2
119.08582	16.8
121.06529	11.2
121.10146	7.3
123.04432	8.1
123.08031	5.1
123.11747	1.7
125.09636	3.8
127.10342	1.8
128.06180	2.3
129.07019	8.7
130.07756	1.7
131.08574	22.5
133.06503	6.8
133.07346	1.3
133.10120	7.0
135.08055	53.5
135.11682	7.3
137.05983	2.3
137.09567	2.4
139.03922	10.2
143.04898	1.3
143.08543	11.9
145.06412	1.4
145.10138	15.5
147.04329	1.5
147.08076	10.9
147.11662	3.5
149.09612	10.5
149.13248	3.6
151.07539	1.7
154.94441	1.5
157.10098	6.7
159.08031	2.1
159.11665	5.9
161.09627	13.5
161.13351	1.5
163.11174	5.0
165.09076	2.2
169.10063	2.5
171.11682	3.9
173.09631	2.9
173.13216	2.3
175.11201	3.4
177.12724	3.7
181.10194	1.9
185.13321	1.9
187.11226	3.5
189.11235	2.0
189.12749	3.1
191.10620	1.5
195.11674	1.7
199.14793	2.6
205.12213	2.1
217.15852	10.0
227.18027	2.8
237.16405	2.5
245.19016	3.7
249.14922	2.6
255.17444	4.3
268.09302	2.1
273.18503	47.7
291.19528	76.8
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	8-hydroxy-13Z-octadecene-9,11-diynoic acid
Peak:m/z	Relative Intensity
53.03933	1.8
55.01873	20.5
55.05511	12.4
56.05027	1.6
57.03437	18.8
57.07071	1.9
58.06599	0.6
59.09702	0.6
65.03930	2.4
67.05506	29.9
69.03429	2.6
69.07070	6.7
69.26539	2.5
69.26968	2.4
71.04993	2.2
72.08945	0.6
74.06056	1.4
79.05492	39.4
81.03409	2.2
81.07056	21.7
81.35955	0.6
83.04980	2.2
83.08632	4.2
85.06549	3.7
88.07615	4.1
89.07956	1.5
91.05479	30.7
93.07042	23.7
95.04967	29.0
95.08608	11.1
97.06535	4.1
97.10165	2.2
99.04474	0.9
99.08096	0.7
105.04516	0.8
105.07030	19.9
107.04960	13.9
107.08598	24.5
109.06517	71.5
109.10168	3.3
111.04465	0.6
111.08089	2.1
115.05437	3.2
116.06235	2.3
117.07013	13.8
118.08673	0.8
119.04932	1.5
119.06056	1.5
119.08575	8.7
121.06502	4.1
121.10123	5.8
123.04427	3.8
123.08042	3.7
128.06204	1.6
129.06998	7.8
130.07802	1.2
131.08566	19.5
133.06512	2.9
133.10141	6.3
135.08054	100.0
135.11650	5.0
137.09610	1.2
139.03905	4.9
140.23410	0.6
141.06975	0.8
142.07802	1.1
143.08565	7.8
144.09224	0.6
145.06595	1.0
145.10123	11.3
147.04427	1.0
147.08058	5.4
147.11710	2.3
149.09637	9.2
149.13266	2.9
151.07625	0.7
155.08537	1.2
157.10118	6.8
159.08069	1.9
159.11702	6.2
161.09616	10.3
161.13281	1.1
163.11183	2.9
165.05531	0.9
167.08461	0.7
169.10155	1.7
171.11658	3.6
173.09576	0.7
173.13309	2.5
175.11192	3.1
177.12798	3.0
181.10069	1.0
183.11719	2.1
185.09641	0.8
185.13297	1.9
187.11249	0.7
189.12721	1.2
189.16426	1.3
195.11765	1.4
195.13835	1.8
199.11220	1.8
199.14801	5.4
201.12740	2.3
205.12169	0.8
207.13791	0.9
208.12587	0.7
217.15874	21.4
219.13823	2.0
223.13338	0.7
227.17924	1.7
237.16420	2.0
243.25159	7.8
245.19064	2.2
249.14790	0.6
255.17493	3.8
273.15436	1.1
273.18497	33.6
291.19553	75.0
291.27145	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	291.1953
Annotation	Tuberatolide A
Peak:m/z	Relative Intensity
51.36245	0.9
52.09468	1.0
53.03930	3.7
55.01873	8.3
55.05514	12.5
56.96542	1.5
57.03439	12.5
57.07070	1.0
58.02481	1.0
59.00136	1.1
61.72684	1.2
65.03941	1.9
67.05185	1.7
67.05508	24.0
69.03437	5.8
69.07072	14.3
70.68749	3.3
70.69147	1.1
71.04987	5.2
79.05495	29.2
79.98007	1.3
81.03429	12.7
81.06600	1.7
81.07055	31.1
83.04967	8.4
83.08617	5.5
85.06532	3.3
91.04913	1.5
91.05480	25.9
91.08365	1.1
93.06495	1.6
93.07047	25.0
95.04956	10.0
95.08612	20.1
97.06535	12.8
97.10155	2.5
99.04429	2.0
103.05495	1.8
105.07032	22.0
107.04957	34.1
107.08587	15.0
109.06521	35.1
109.10175	5.7
111.04446	8.0
111.08052	3.5
113.05988	1.8
115.05462	2.5
116.06189	1.1
117.07018	11.7
119.04923	2.0
119.07794	1.9
119.08577	17.9
121.06499	13.9
121.10146	11.1
123.04411	5.0
123.08059	7.6
123.11718	1.7
124.79459	1.0
125.09621	2.1
128.06226	1.7
129.07054	6.2
131.08556	19.1
133.06476	4.1
133.10124	8.6
135.08049	20.1
135.11661	4.7
137.09595	3.6
139.03894	9.7
139.07471	1.2
143.08577	6.5
145.10127	10.7
147.08015	8.4
147.11655	5.1
148.08875	2.0
149.09625	24.3
149.13229	1.6
151.07498	4.7
151.11212	1.3
151.59529	1.1
153.09171	2.1
155.08560	2.0
157.10104	7.3
159.08035	1.8
159.11647	7.0
161.09641	8.1
161.13303	1.2
163.11169	5.9
165.05511	1.5
171.11679	4.8
173.13252	3.1
175.11142	4.2
177.12766	4.2
179.10611	2.0
183.11702	2.1
185.13272	1.2
187.11177	1.5
189.12721	3.5
193.12231	1.9
195.11601	1.9
199.14810	2.5
201.12688	2.0
207.13828	3.0
211.14966	1.2
217.15808	6.7
219.13748	3.7
221.11719	2.2
224.71538	1.0
227.17914	2.6
237.54439	1.1
245.19002	3.9
255.17416	4.2
263.20071	1.9
273.18524	30.4
291.19528	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	291.1955
Annotation	Tuberatolide A
Peak:m/z	Relative Intensity
53.03934	4.7
55.01872	12.0
55.05512	41.7
56.96540	2.2
57.03431	4.5
59.04982	3.4
65.03938	2.7
67.05186	2.2
67.05512	32.1
69.03415	6.9
69.07066	14.1
71.04976	3.0
71.52065	2.7
79.05073	3.2
79.05498	45.8
81.03418	5.6
81.07063	52.3
83.04984	10.6
83.08627	14.9
91.05485	50.0
93.07051	23.0
95.04985	12.3
95.08611	16.9
97.06554	3.0
97.10177	22.3
105.03379	4.9
105.07029	24.1
107.04971	25.6
107.08608	21.4
109.06509	7.0
109.10123	9.5
111.08083	6.5
115.05447	2.6
116.06279	2.4
117.07031	25.1
119.04919	3.1
119.08585	62.9
121.06529	13.0
121.10155	9.1
123.04434	12.3
123.08112	10.0
125.09650	17.2
128.06230	3.0
129.07014	11.3
131.08574	25.9
132.05724	2.4
133.06480	5.4
133.10162	9.2
133.64001	2.4
135.08060	18.8
135.11737	4.2
137.09602	3.3
139.03922	18.6
142.07744	2.4
143.08551	14.7
145.06494	3.1
145.10124	27.2
147.04440	4.4
147.08060	33.7
147.11646	3.2
149.09633	11.0
151.07524	8.1
157.10104	8.3
159.11684	7.7
161.06000	2.7
161.09608	9.6
163.11217	4.5
165.09081	5.1
169.10249	2.3
171.10175	3.2
171.11691	5.6
173.09686	3.2
173.13341	2.4
175.11105	2.4
177.12834	2.2
177.52214	2.0
181.10040	1.9
185.09737	2.1
185.13292	4.7
189.11191	10.0
189.12741	4.2
205.12315	1.9
207.13858	5.7
217.15886	2.3
223.13300	2.5
227.17857	5.3
245.18977	5.4
249.14882	6.5
255.17371	8.2
273.18503	92.9
291.19531	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	291.1955
Annotation	Tuberatolide A
Peak:m/z	Relative Intensity
53.03932	4.1
55.01632	1.0
55.01874	12.3
55.05510	25.0
56.11983	0.9
56.96572	4.5
57.03433	9.3
57.07082	6.2
58.07378	0.9
58.64809	0.8
59.05007	1.5
60.04786	0.8
65.03921	3.0
67.05505	23.9
68.99768	0.9
69.03428	8.9
69.07070	12.4
70.06586	4.4
71.04998	4.9
71.06923	1.3
71.16573	2.1
77.03922	1.0
79.05494	34.5
81.03424	9.7
81.07057	44.4
83.04977	5.3
83.08617	8.7
85.02892	3.1
85.06538	3.5
88.07630	6.3
89.07970	1.8
91.05481	25.0
91.83382	0.9
93.07046	25.5
95.04967	14.3
95.08607	15.8
97.02856	1.1
97.06532	5.7
97.10173	5.2
98.97581	6.4
99.08065	1.4
102.09165	3.9
103.05484	1.6
105.03363	1.6
105.07029	24.0
107.04959	14.6
107.08594	16.5
109.05803	1.6
109.06522	23.3
109.10163	6.5
110.97585	1.8
111.04440	2.0
111.08067	6.3
113.06038	1.8
115.05451	2.2
116.06171	1.4
116.98645	1.0
117.07011	12.6
119.04942	2.1
119.08582	19.6
121.02892	1.0
121.06507	18.1
121.10147	10.4
123.04417	13.5
123.08065	16.3
123.11684	4.0
125.09641	4.6
127.07532	0.9
128.02319	1.5
128.06245	2.1
129.06984	9.7
130.07874	1.1
131.08583	13.5
133.06493	5.0
133.10155	9.8
135.08057	28.7
135.11682	4.2
137.09624	2.2
139.03906	22.9
141.06978	2.0
142.07820	1.3
143.08569	8.3
145.10130	16.9
147.04405	4.1
147.08060	12.3
147.11690	7.7
149.01280	1.1
149.02364	3.8
149.09621	14.9
151.07535	12.6
151.11140	0.9
153.09039	1.3
155.04665	3.9
155.08537	1.7
156.09212	1.1
157.06549	1.9
157.10124	7.0
158.99637	3.3
159.08058	2.1
159.11685	7.8
161.09636	8.2
161.13216	2.4
163.11186	10.0
165.05461	2.7
165.09135	2.2
165.12737	1.2
167.04784	1.8
169.10118	1.7
171.08055	1.1
171.10234	1.1
171.11670	5.0
173.01205	1.8
173.09607	2.3
173.13260	3.1
175.11171	5.3
175.15015	1.0
176.05179	2.3
177.09103	1.0
177.12784	1.6
183.11687	1.8
185.13266	3.8
187.11162	2.2
187.14801	0.9
189.04123	6.1
189.09100	2.1
189.11223	2.1
189.12704	4.5
191.14340	1.1
193.12257	1.7
195.11705	1.5
197.01239	1.5
197.11725	2.7
198.04677	3.2
199.11191	1.4
199.14822	1.0
203.14328	1.6
207.13753	7.8
209.55449	1.5
213.16454	1.3
215.14281	1.1
217.15904	6.4
219.01785	1.9
220.05045	1.5
223.13300	2.4
227.17905	3.0
228.23248	2.9
229.23566	13.9
233.15349	4.2
237.16385	2.7
241.00166	1.3
245.08095	1.8
245.19095	2.9
249.14969	2.7
253.07561	1.6
255.17493	5.9
263.05038	5.4
263.19998	1.5
269.08383	1.7
269.10864	1.8
270.08316	1.7
273.18515	32.3
273.26376	1.1
291.08411	8.4
291.19540	100.0
291.27164	40.6
291.30499	2.1
297.06436	1.9
309.08667	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1705
Annotation	Unknow
Peak:m/z	Relative Intensity
50.82473	0.3
50.83851	0.3
51.02389	0.4
51.75636	0.2
53.03938	0.6
55.01862	0.8
55.05513	0.5
56.96552	1.3
59.76997	0.2
60.86406	0.3
61.10474	0.3
67.05485	1.3
69.03425	0.6
69.07071	0.6
70.06573	1.1
70.64111	0.5
70.64434	0.5
72.08159	0.3
77.03911	0.7
79.05486	0.8
81.07043	0.8
83.04968	0.3
84.04505	1.9
84.08144	8.4
85.02910	0.8
85.04822	0.6
88.03950	0.3
91.05479	1.5
93.03375	0.4
93.07016	0.9
95.04949	0.8
95.08607	0.7
97.02870	0.5
98.09698	6.8
98.97592	4.7
98.98266	0.5
98.98451	0.5
103.05467	29.1
105.07009	0.9
107.08601	1.4
109.02832	0.3
109.06526	0.5
109.10165	0.3
111.04443	0.4
115.05431	0.4
115.12309	0.7
116.98625	1.5
117.07024	0.6
119.04919	0.6
121.10149	0.7
122.07182	0.4
123.04429	6.3
123.08105	0.4
124.99152	0.4
125.09651	0.3
127.03973	0.4
129.07014	0.6
130.05029	0.5
130.06529	1.5
130.08632	2.5
131.04929	100.0
131.96719	2.9
132.08136	0.4
133.10126	0.9
135.04420	0.3
135.07982	0.3
135.11691	0.3
137.06003	0.4
139.02820	0.3
139.03905	8.5
143.00153	1.0
143.10707	0.6
143.11804	2.7
144.08093	11.9
144.09245	0.7
145.08432	17.7
146.05969	0.4
147.04419	2.0
147.11685	0.3
151.03864	0.3
151.07578	0.3
151.11174	0.3
152.02753	0.4
157.06496	0.3
158.99608	0.4
159.09184	0.9
159.11690	0.5
161.01233	0.7
161.05981	0.9
161.10765	0.7
161.12848	5.7
162.09157	0.4
162.11099	0.9
165.05475	1.2
170.99693	0.3
177.00708	0.5
177.05452	0.6
179.07065	0.3
181.05365	0.8
182.99643	0.5
185.07234	0.4
188.07030	0.6
189.00752	0.8
189.05463	0.5
189.09091	0.7
199.07565	0.3
201.00739	1.0
207.06438	0.5
211.06453	1.5
219.01860	0.8
227.11819	0.6
228.12169	0.7
229.13365	0.3
237.14876	0.5
243.11263	0.4
245.08990	0.9
245.12750	0.4
245.16536	1.0
249.02899	0.9
250.00496	0.3
255.14882	1.4
260.12750	0.4
273.12347	1.8
273.15924	1.1
273.18607	0.5
274.12720	1.7
291.08148	1.4
291.17072	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	291.1704
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	1.0
55.05507	1.0
56.96547	1.6
65.96667	0.5
67.05507	2.9
69.07062	1.5
70.06565	0.5
70.54327	0.9
70.54719	1.0
72.04517	18.6
72.08156	1.1
79.05495	2.1
80.33718	0.4
81.03423	1.1
81.07066	4.0
83.08598	0.7
84.08128	0.6
84.96015	0.6
89.03896	0.9
91.05472	1.5
93.03390	0.6
93.07038	2.1
95.04964	1.1
95.08608	3.2
98.97569	2.8
99.00853	0.8
99.04435	0.5
105.07025	2.0
107.08599	2.0
109.06499	0.8
109.10148	1.5
110.97478	0.5
111.04453	1.0
111.08064	0.5
115.05467	0.7
116.03458	0.7
116.98630	0.9
117.03374	0.7
117.07024	0.6
118.06545	10.8
119.04926	1.1
119.08578	1.7
121.02872	0.4
121.06469	0.8
121.10181	1.1
121.21955	0.5
123.04431	6.6
123.11708	1.9
124.05208	0.5
128.06151	0.5
129.07001	1.8
131.00128	0.6
131.08528	1.0
132.08072	2.0
133.08922	1.0
133.10083	0.9
134.09645	0.5
135.04419	1.8
135.08051	0.6
135.11690	0.9
137.13229	0.4
139.03906	7.9
141.07005	0.7
143.00151	0.5
144.08078	5.2
145.02934	0.9
146.09630	2.2
147.04385	2.8
147.11607	0.5
149.13196	0.8
151.03943	0.6
151.11171	1.0
152.08138	0.4
157.06502	1.6
158.09657	0.9
159.11726	0.6
161.01196	0.6
161.13208	0.6
163.03886	6.2
164.04222	0.5
165.05478	1.5
165.09164	0.5
171.09229	0.6
172.11232	0.7
175.11185	0.5
176.14349	81.2
177.14772	0.4
187.08710	0.7
188.06999	0.6
189.05486	0.7
189.08818	0.6
189.10458	2.4
199.07585	1.0
202.15912	31.9
204.69530	0.4
207.06583	0.7
213.05551	0.6
215.06979	0.8
217.08624	1.6
217.13351	0.8
221.02924	1.1
222.03157	0.5
229.17033	4.6
245.08040	1.7
245.16518	10.5
246.14821	2.2
247.18069	29.0
249.02817	0.6
273.07745	0.6
273.15985	8.2
273.18723	0.8
273.22055	0.7
274.14362	32.2
291.08517	3.2
291.17026	100.0
291.26886	1.3
292.15335	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	291.1705
Annotation	CL 22T
Peak:m/z	Relative Intensity
52.72124	0.3
55.01870	0.8
55.73151	0.6
70.30508	1.3
72.04519	18.5
73.02928	0.5
73.47447	0.4
88.04005	0.5
91.05495	0.5
98.97612	0.8
101.57379	0.4
105.60466	0.5
116.03450	0.6
118.06541	9.5
119.45069	0.4
123.04410	3.5
129.06975	0.7
132.08086	3.7
133.08841	1.5
133.09819	0.4
134.09631	0.7
139.03912	5.3
144.08083	3.2
146.09671	3.0
147.04398	1.2
147.10410	0.5
158.09627	1.5
159.10468	0.6
161.05902	0.5
163.03864	1.0
165.05470	0.9
172.11192	1.0
176.14349	73.3
185.10678	0.5
189.10208	1.1
202.15913	30.4
203.11772	1.3
217.13371	1.3
229.16968	4.0
245.07909	0.5
245.16519	11.1
246.14911	1.5
247.18065	25.6
255.92711	0.4
273.16010	7.7
274.14377	31.3
291.08511	1.7
291.17029	100.0
292.17273	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1229
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	1.4
55.01876	4.6
55.05516	9.2
56.96568	1.6
57.03449	5.2
57.07078	3.1
59.05014	2.8
61.02930	3.8
64.51488	0.6
65.03950	5.2
67.05509	13.5
69.03442	2.3
69.07073	56.6
70.41605	2.1
71.04987	1.9
71.08646	1.1
79.05498	18.1
81.03408	0.8
81.07059	28.2
82.17352	0.6
83.04991	1.7
83.08616	6.2
85.06551	6.5
87.04457	0.6
87.08121	1.6
89.03914	7.4
89.29122	0.6
91.05491	3.9
93.03419	5.3
93.07059	9.4
95.04984	3.8
95.08613	23.4
97.02912	5.0
97.06536	95.1
97.10156	3.0
98.97595	6.0
99.08100	1.4
103.05477	1.8
105.03416	0.8
105.04526	0.6
105.07027	4.8
107.04954	3.6
107.07900	0.7
107.08604	9.8
109.02867	1.3
109.06512	1.7
109.10161	16.5
110.03681	1.0
111.04477	1.5
111.08091	12.7
111.11723	6.9
115.05458	2.1
116.98624	1.8
117.03382	7.9
117.07028	1.0
119.04947	1.4
119.08566	2.9
121.02851	1.6
121.10155	6.3
123.04454	7.1
123.08109	0.8
123.11722	12.7
124.05218	2.0
125.05984	1.8
125.09647	2.3
125.13298	1.0
127.11196	0.6
127.28937	0.6
128.06244	3.8
128.98669	0.7
129.07014	16.7
129.09091	3.4
131.04956	2.8
131.08585	2.3
133.02861	6.2
133.10132	1.4
135.04414	8.6
135.08083	1.8
135.11687	4.3
137.05928	1.5
137.13255	7.1
139.03911	11.2
139.05443	2.4
139.11180	4.1
141.06998	6.5
143.00198	1.2
143.04924	1.1
143.08549	1.0
144.05661	0.8
145.02859	8.5
145.06465	1.1
145.10155	1.5
147.04413	4.5
147.11688	2.5
149.02359	1.9
149.09697	1.8
149.13287	6.0
151.03928	7.0
151.14822	1.2
153.12767	2.5
156.05667	1.2
157.06499	19.5
157.10091	0.8
158.07275	0.8
158.99657	0.7
159.04439	9.2
159.08047	0.9
159.11719	0.7
161.02353	32.1
161.05992	2.2
161.09698	1.4
161.13272	1.2
163.03915	56.9
163.14799	3.2
165.05490	1.6
167.03546	1.3
167.04945	6.3
167.14351	1.7
169.06485	5.7
171.04478	1.0
171.08035	1.2
173.02353	66.2
173.05928	1.7
174.06799	1.3
175.07544	0.7
177.05496	3.3
177.16403	2.8
183.04564	0.7
184.05202	1.5
185.05992	11.5
185.13246	0.7
186.03178	1.2
187.03941	1.9
187.07550	5.8
188.08336	5.4
189.05466	2.3
189.09131	14.6
191.03410	7.6
191.17966	1.3
195.04405	1.9
195.08023	0.7
197.05951	1.8
199.03954	1.1
199.07590	11.6
200.04582	0.9
201.00734	1.1
201.09219	1.2
203.07074	1.4
205.04878	1.1
207.06544	2.5
212.04597	1.2
213.05392	2.9
213.09015	1.2
214.06245	1.2
215.07039	100.0
216.07385	0.6
217.05168	1.1
217.08594	14.7
219.01759	1.0
227.07053	11.4
229.08624	1.1
230.05783	0.8
233.08078	7.1
241.08635	8.7
245.08121	33.6
249.02771	1.1
255.06526	1.0
259.09686	15.0
273.07599	5.8
273.11206	2.7
273.18488	1.5
273.25806	2.1
291.08627	39.1
291.12244	8.7
291.19565	5.8
291.26837	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	291.0978
Annotation	N2-Malonyl-D-tryptophan
Peak:m/z	Relative Intensity
53.59994	1.3
55.01863	3.8
55.05521	2.2
56.96551	2.9
65.03926	2.0
67.05495	4.5
68.99794	1.9
69.03431	1.7
69.30067	11.8
70.06577	3.0
79.05460	1.5
83.04978	2.8
85.02901	1.9
85.06528	3.0
88.04007	1.8
91.05486	7.3
93.03390	2.5
93.07038	2.4
95.04974	5.9
95.08612	1.8
97.02920	2.8
97.06554	2.3
98.97602	3.2
103.05488	4.9
105.07014	4.2
108.73489	1.5
111.04415	5.6
115.05433	5.5
118.05798	1.2
118.06514	8.3
119.04936	4.2
119.08518	1.9
123.04433	64.8
124.99042	1.4
125.09611	1.6
127.03889	2.6
128.06250	1.5
129.06995	4.2
130.06535	64.8
131.04942	16.6
131.08578	2.6
132.08104	26.3
133.96376	3.9
135.04402	1.9
139.03912	100.0
141.06992	2.4
142.06526	7.8
143.04912	3.7
143.08565	2.2
144.08087	3.8
146.06018	13.1
147.04424	21.3
151.03859	4.3
151.07591	2.1
156.03000	1.8
156.08098	2.3
157.06451	3.6
157.07561	3.5
158.06033	1.5
158.08456	2.5
159.09186	65.9
160.07561	3.3
161.06009	8.5
163.03960	8.2
165.05524	13.2
169.04987	2.0
169.06410	2.9
170.06012	26.2
177.05505	2.1
179.07059	2.0
181.07632	2.1
183.09227	3.0
184.07587	12.6
185.05652	2.5
185.07130	29.9
187.07518	6.0
187.08911	2.6
188.07077	29.6
188.10713	6.5
189.05457	3.9
189.09122	4.9
195.08067	2.2
199.07455	2.9
200.07051	6.8
201.05502	2.0
201.10271	8.3
207.06496	5.5
209.07121	1.8
213.09047	2.4
215.07033	6.6
217.05016	1.6
217.08641	5.1
223.07565	2.6
227.08211	30.9
231.07423	1.8
241.08693	5.1
243.11256	1.6
245.09300	61.0
247.09718	1.7
249.07553	2.5
255.07622	3.6
259.09451	2.6
263.06757	1.6
273.08551	8.9
273.12112	2.7
291.08652	15.8
291.13245	9.9
291.17004	8.2
291.19507	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	291.0864
Annotation	(+)-Epicatechin
Peak:m/z	Relative Intensity
55.01871	1.5
56.96557	0.4
57.01880	0.3
61.54473	0.4
63.19396	0.3
65.03929	0.8
67.05512	1.7
68.99792	1.6
70.76342	0.7
76.45901	0.3
81.03440	0.5
83.04977	1.5
84.08138	0.3
85.02898	0.7
91.05479	1.6
93.03384	1.4
95.04977	2.1
98.97585	1.1
101.71516	0.3
105.07009	0.6
107.04944	0.5
111.04452	2.8
111.50084	0.3
115.05461	0.8
116.07735	0.3
119.04935	5.8
121.02901	0.4
123.04428	61.9
127.03905	1.3
130.06595	0.3
133.06499	0.9
135.04413	0.6
137.02322	1.2
137.05949	0.7
139.03902	100.0
140.04266	0.5
143.04918	2.3
145.06487	0.4
147.04411	20.0
151.03889	2.2
151.07535	0.5
153.05487	0.9
161.05983	7.1
162.61310	0.3
163.03896	2.4
163.07478	0.4
165.05479	15.0
169.04926	1.7
171.04308	0.4
177.05521	1.0
179.06982	2.4
181.04968	0.7
189.05447	1.8
197.03406	0.8
203.06966	0.4
207.06528	6.4
249.07564	1.3
273.07669	2.0
273.12320	0.9
291.08652	7.7
291.13306	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.0861
Annotation	(+)-Epicatechin
Peak:m/z	Relative Intensity
50.31310	0.4
51.41983	0.4
53.76936	0.3
53.98058	0.3
54.41357	0.3
55.01867	1.7
65.03937	0.9
67.05501	2.0
68.99788	1.8
69.46026	0.4
69.71555	2.1
83.04985	1.5
91.05473	1.4
93.03392	1.2
95.04984	2.7
97.02908	0.4
107.04954	0.5
111.04446	3.2
115.05467	1.0
119.04934	6.0
121.02853	0.4
123.04430	65.2
127.03926	1.0
133.06511	0.7
135.04471	0.9
137.02354	0.9
137.05963	0.9
139.03903	100.0
143.04913	2.6
147.04416	20.5
151.03908	2.7
161.05974	8.5
163.03899	1.6
165.05492	13.8
165.06879	0.7
169.04976	1.5
177.05481	0.9
179.07045	2.1
185.05769	0.4
189.05472	1.7
199.65463	0.4
207.04816	0.6
207.06557	5.6
249.07442	1.0
255.64676	0.4
261.03128	0.5
273.07629	1.7
291.08640	7.7
313.45648	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.0862
Annotation	Unknow
Peak:m/z	Relative Intensity
54.91271	0.3
55.01865	1.4
65.03938	0.9
66.73247	0.4
67.05503	1.4
68.99802	2.2
69.75821	0.3
69.78588	2.0
73.20939	0.3
73.84264	0.4
77.03945	0.5
83.04979	1.0
87.56740	0.4
91.05479	1.4
93.03408	1.1
95.04987	2.9
97.02907	0.6
98.97605	1.9
105.03389	0.5
106.14751	0.4
107.04953	0.6
111.04445	2.5
115.05441	0.8
119.04958	5.7
121.02861	0.5
123.04436	62.4
127.03945	0.9
133.06589	0.8
135.04382	0.6
137.02342	0.9
137.06009	0.8
139.03911	100.0
143.00171	0.4
143.04967	2.4
147.04414	20.7
147.99219	0.4
151.03915	2.9
151.07486	0.5
153.05466	0.8
161.06000	7.3
163.03920	1.7
165.05489	14.7
169.05025	1.5
177.05577	0.8
179.07060	2.9
181.05074	0.6
189.05484	1.7
205.08653	0.5
207.06535	6.5
214.72774	0.5
239.82141	0.4
249.07607	0.9
255.42952	0.4
273.07568	1.4
291.08633	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	291.0842
Annotation	Unknow
Peak:m/z	Relative Intensity
55.09211	2.5
56.96304	4.9
56.96571	92.7
58.99582	2.5
60.48784	2.6
69.03426	8.2
69.32319	2.5
70.06593	5.7
70.52954	9.8
70.98104	3.4
71.04980	2.8
71.95258	5.8
72.08138	3.6
73.02860	2.6
74.97612	3.0
79.05473	3.7
82.87691	2.5
83.04976	2.4
84.04472	5.2
84.08156	6.6
84.96037	14.5
85.02921	15.5
88.02200	3.0
88.03992	15.4
89.03920	14.3
92.60520	2.5
97.02861	4.5
98.97584	75.3
100.99153	3.6
101.00869	7.2
103.02441	4.1
107.04958	3.9
108.10424	2.5
110.97582	7.6
112.99149	3.2
113.01701	5.7
116.98629	29.8
117.03415	13.0
117.97820	18.4
119.01906	8.4
123.04423	6.4
124.99118	47.7
127.03866	3.8
127.05074	6.4
128.98605	8.9
129.97823	5.1
131.00179	5.3
134.99655	7.4
135.04399	23.8
139.03909	8.0
141.02237	4.0
143.00179	71.8
144.98045	4.8
145.02837	9.0
147.02313	4.4
152.98601	11.6
158.99643	10.6
161.01237	37.1
161.02946	4.9
162.99136	6.6
163.03917	100.0
167.00188	5.1
168.98123	3.5
169.01765	7.7
169.03448	3.5
170.99586	34.4
172.09712	3.4
172.98378	9.3
173.02980	7.8
177.00722	7.6
185.01265	30.8
186.99173	8.4
187.02792	3.4
187.04686	3.1
189.00731	35.0
189.02386	5.0
194.99602	3.9
199.80557	2.6
201.05199	3.9
203.02263	20.7
203.03783	2.4
204.02621	29.3
205.00372	11.7
205.03818	2.9
208.20639	2.9
210.05756	3.8
213.00700	24.9
217.00999	21.9
219.01819	6.5
221.03244	4.7
222.97705	3.1
223.01277	10.9
231.01633	30.4
231.03842	14.6
249.02817	46.4
250.03099	3.7
267.00476	3.8
267.03925	31.3
273.02820	14.9
273.14651	4.6
285.04926	11.7
291.03876	48.1
291.08401	64.2
309.04971	62.9
309.08438	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	290.1755
Annotation	Mesembrine
Peak:m/z	Relative Intensity
55.05499	1.4
56.05036	3.4
56.96560	5.9
57.07079	3.1
58.06594	1.8
60.04522	1.0
65.03942	1.6
67.05507	9.7
69.07084	4.1
71.08624	1.3
73.68287	0.6
74.06070	2.8
79.05495	2.7
81.07048	2.6
82.06572	2.9
82.79024	0.7
83.04974	1.0
84.04525	0.8
86.06094	0.9
88.07633	13.7
91.05492	1.7
93.03411	1.7
93.07056	2.9
95.08616	1.7
96.98404	0.8
97.06535	2.0
102.09198	0.7
107.08598	3.6
109.10174	1.0
110.06045	33.4
111.04444	10.4
117.07021	0.6
118.08656	1.4
122.08157	2.6
123.04408	1.6
135.11671	4.0
137.05986	5.1
138.05505	100.0
139.03868	0.7
159.03267	0.6
163.07549	1.3
171.03214	0.6
181.58484	0.7
185.04941	0.6
199.22476	0.6
203.05879	1.1
208.10089	0.8
223.06442	0.6
226.11156	17.6
228.23282	1.7
229.25908	0.6
230.16289	0.7
242.24789	14.0
244.12199	6.8
249.12724	1.1
261.55453	0.6
267.08942	5.1
267.13644	1.4
272.17273	0.7
272.25870	0.9
285.10092	3.1
290.13580	0.7
290.14270	0.8
290.17609	6.1
290.26892	37.6
290.29337	1.4
303.97675	0.6
308.11908	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	290.15
Annotation	Unknow
Peak:m/z	Relative Intensity
50.65262	0.2
53.50637	0.2
56.05040	0.3
56.96563	0.6
63.32868	0.2
64.11385	0.2
67.05521	0.4
69.03431	0.4
69.07069	0.4
70.06577	0.5
72.08180	0.2
79.05536	0.2
81.07049	0.3
84.04512	8.4
84.08150	0.5
85.02899	0.4
86.09711	0.5
88.04025	0.5
91.05506	0.6
93.07055	0.2
95.04978	0.3
95.08630	0.4
97.02885	0.3
98.97588	1.6
102.05535	0.3
103.05476	0.8
105.07021	0.3
107.08586	0.2
109.02903	0.2
112.04766	0.2
116.98639	0.6
117.07005	1.9
123.04455	1.1
128.98546	0.3
129.10236	0.3
130.05011	2.6
130.06554	0.3
131.04935	1.7
132.05298	0.3
132.08092	0.8
133.02859	0.2
133.05190	0.2
133.10065	0.2
134.03247	0.2
134.04512	0.6
135.04393	0.4
136.04730	0.5
139.03932	1.2
143.07327	0.8
144.08090	100.0
145.08420	0.5
147.04529	0.2
147.07718	0.2
151.03923	0.2
155.06151	0.2
158.99695	0.6
161.06061	0.2
161.10750	6.3
163.07478	0.3
165.05463	0.3
170.99709	0.2
175.54890	0.3
177.00764	0.4
188.07114	0.2
219.01617	0.3
227.11794	3.7
245.09332	0.2
263.99011	0.2
267.11234	0.4
273.12375	4.5
278.12802	0.4
290.14981	9.7
291.17038	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.1798
Annotation	15alpha-Hydroxyestradiol
Peak:m/z	Relative Intensity
53.03935	3.0
55.01878	6.5
55.05514	44.4
56.96550	2.4
57.03421	4.5
57.07076	1.9
67.05188	1.4
67.05510	21.0
69.03426	2.8
69.07069	9.8
70.06567	2.2
71.04977	1.7
79.05495	22.7
81.03405	1.9
81.06600	1.5
81.07059	22.6
83.04974	4.4
83.08620	13.3
85.06548	1.4
88.07613	3.4
91.05483	16.5
93.07043	13.3
95.04945	2.2
95.08604	7.2
97.10174	24.7
98.21583	2.1
105.07037	9.4
106.08652	3.3
107.04931	3.6
107.08576	20.3
109.06516	2.4
109.10153	7.4
111.04415	3.4
111.08074	2.3
115.05451	14.4
117.07024	65.8
119.08577	16.1
121.06487	1.5
121.10131	1.5
123.04388	3.8
125.09622	16.6
127.03922	8.3
128.06192	2.9
129.06990	5.7
131.08577	10.0
133.10136	3.8
135.04422	7.7
135.08046	10.2
139.03889	2.1
141.07024	3.1
142.07750	2.7
143.08565	12.3
145.06488	66.7
145.10127	7.2
147.08020	4.2
150.88161	1.2
151.03902	2.2
153.09111	3.7
155.08560	4.2
157.10126	12.6
159.08041	8.3
159.11685	3.1
161.09631	2.6
163.03973	1.3
163.07516	5.5
169.10117	6.5
171.10205	1.9
171.11623	2.4
173.09607	2.5
173.11636	1.9
179.03416	1.3
183.11629	3.8
189.11205	10.4
211.14847	2.3
215.14343	2.1
225.16351	10.3
229.07483	2.2
229.15897	1.5
235.14784	2.9
241.16068	1.2
243.17445	5.5
253.15840	8.1
271.16931	100.0
279.64496	1.4
289.17941	22.7
289.21588	6.4
289.25134	2.5
289.29080	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	289.1794
Annotation	15alpha-Hydroxyestradiol
Peak:m/z	Relative Intensity
53.03945	2.8
55.01862	6.7
55.05272	2.1
55.05512	26.0
56.05038	2.8
56.63501	1.6
56.96549	4.4
57.03440	25.7
57.07065	4.4
59.06105	5.0
64.16166	1.5
65.03928	2.2
67.05509	24.0
69.03425	5.2
69.07069	9.5
71.05006	3.0
71.08614	2.8
71.52228	1.9
74.06068	2.8
75.05600	3.2
78.63827	1.5
79.05499	31.2
81.03403	6.8
81.06662	2.0
81.07063	21.0
83.04993	9.3
83.08617	13.1
85.06557	2.8
88.07607	4.5
88.35659	1.5
89.07137	6.9
91.04990	1.9
91.05488	26.7
91.80991	1.4
93.07055	21.6
95.04997	9.1
95.08624	13.5
97.06516	4.3
97.10184	13.5
103.08695	3.0
105.03391	2.7
105.07037	24.2
107.04960	16.9
107.08599	21.8
109.06534	10.5
109.10163	9.0
111.04420	7.4
111.08040	3.4
115.05420	5.7
117.06234	2.4
117.07024	36.3
119.04944	3.0
119.08585	43.2
121.06513	15.2
121.09669	25.3
123.04449	10.5
123.08038	5.0
125.09640	11.8
127.03893	9.5
128.06165	2.6
129.06975	6.8
130.07784	1.9
131.04962	2.1
131.08556	14.6
133.06474	6.1
133.10138	9.0
135.04437	19.2
135.08072	16.4
135.11647	2.2
137.05957	2.6
137.09592	1.8
139.03935	10.3
143.08536	9.6
145.06490	36.6
145.10133	13.7
147.08060	13.0
147.11674	6.8
149.05948	1.7
149.09590	5.0
149.13228	2.3
151.03899	3.9
153.09140	4.0
155.08553	5.8
156.05701	3.4
157.10089	7.6
159.08060	51.1
159.11697	5.2
160.08855	2.9
161.09592	6.2
163.03934	3.5
163.07532	5.4
163.11163	1.9
163.55923	1.7
169.10118	6.5
171.11642	5.5
173.09624	6.1
173.13206	3.0
174.06834	2.2
175.07481	2.1
175.14754	2.5
177.09180	7.7
183.11739	4.4
185.09602	2.2
187.11272	2.7
187.14796	4.0
188.08286	2.6
189.11186	6.5
189.12738	4.8
191.10675	2.2
193.12338	2.6
197.13126	4.0
202.09836	2.5
203.17909	3.2
205.12305	2.0
208.14061	1.9
211.11235	2.0
213.23302	4.5
215.14415	3.7
215.17966	2.2
217.12288	2.4
217.14192	3.4
218.10921	1.8
225.16318	4.1
229.15524	2.4
230.13086	2.7
233.15402	15.0
235.14745	2.3
242.24776	6.6
243.17513	9.2
245.25737	3.2
248.11928	2.8
253.15955	10.9
259.05328	2.4
261.18594	7.7
265.12918	2.9
266.13095	23.4
271.16937	68.9
283.13882	4.5
284.14108	29.4
289.07053	3.5
289.14828	6.0
289.17950	100.0
289.21481	5.7
289.25168	3.7
289.28513	51.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.1259
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	0.8
55.01866	0.8
55.05511	1.1
56.96563	3.3
57.03428	2.2
59.04989	1.4
60.31472	0.7
61.02917	2.0
65.03919	1.0
67.05502	1.1
68.99796	1.8
69.03425	1.9
69.07111	0.8
70.06591	2.1
71.04980	2.4
71.52160	0.6
79.05489	1.5
81.03413	1.9
81.04541	2.2
81.07057	5.1
81.84161	0.6
82.05325	0.7
84.04488	1.0
84.08143	1.6
85.02914	5.9
89.03908	1.0
93.03387	1.9
95.05003	1.1
95.06107	4.7
97.02887	2.6
98.97574	2.4
101.87835	0.7
103.05462	0.8
107.04942	1.4
109.02890	1.9
111.04478	3.3
111.05582	10.9
116.98672	0.8
117.03373	0.8
121.02895	5.6
122.06047	0.9
123.04432	7.6
123.05549	10.4
127.03925	35.5
130.06502	1.1
135.04424	9.2
137.02336	0.8
137.05919	0.8
139.03915	25.2
141.06590	19.8
143.00179	0.9
143.08643	0.8
145.02831	0.8
149.02441	1.0
149.06017	0.9
151.03911	2.8
158.06050	0.8
158.99536	0.9
161.01158	0.8
163.03922	10.4
164.04324	0.9
167.03333	0.9
168.02673	0.8
173.06001	1.6
179.03448	0.9
185.10391	1.2
195.02911	15.9
197.05937	1.1
197.12785	0.7
209.12917	1.3
215.07146	0.9
219.06493	0.8
221.12813	4.2
225.05544	1.2
239.13940	6.2
241.15462	1.1
243.06622	1.8
261.07654	1.0
271.06052	2.7
271.16553	18.2
289.07233	2.6
289.12582	100.0
289.17313	10.3
306.01425	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.0707
Annotation	2,6,3',4'-Tetrahydroxy-2-benzylcoumaranone
Peak:m/z	Relative Intensity
51.02372	0.8
53.03939	0.6
55.01867	1.0
62.07293	0.4
64.60708	0.4
65.03947	0.8
67.05510	2.0
68.99805	1.8
69.92883	1.0
69.93292	0.7
71.39989	0.3
74.48815	0.4
77.03915	1.3
79.05476	0.8
81.03391	0.3
83.01334	1.2
83.04974	0.4
85.02900	0.4
89.03925	2.1
93.03378	0.7
95.04964	4.9
97.02882	0.4
103.05460	0.5
105.03390	2.0
105.04502	0.5
106.05040	0.3
107.04958	2.3
111.00782	0.8
111.04459	1.5
115.05489	0.5
117.03414	2.7
117.34475	0.3
118.79907	0.3
121.02892	0.6
123.04429	100.0
124.26374	0.3
127.03916	1.2
131.04921	1.5
131.96703	3.8
132.30200	0.3
135.04425	7.1
139.03902	19.5
141.06955	0.8
145.02844	3.6
149.02336	1.8
149.05960	0.6
151.03909	5.4
153.01852	1.2
159.04399	1.4
159.08038	0.4
161.06047	0.6
163.03909	21.1
169.06465	1.0
173.06030	0.6
177.05438	0.7
181.06514	0.4
183.04535	0.4
185.05919	0.8
187.03888	4.7
197.05946	2.1
200.04636	0.5
201.05461	0.6
205.04982	3.6
215.07040	1.8
225.05530	1.7
229.04987	0.6
243.06557	3.6
245.04489	2.6
253.05037	0.7
261.07455	0.4
271.06036	3.7
289.07089	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	289.0705
Annotation	3,4-Dihydroxyphenyl caffeate
Peak:m/z	Relative Intensity
53.03938	1.2
55.01872	0.9
56.96549	0.9
57.03441	0.9
65.03941	5.5
67.05492	3.4
68.99780	3.1
69.07069	1.2
69.97035	3.4
72.08141	1.4
72.43148	0.7
79.05481	2.5
81.03403	1.5
83.04986	1.2
84.04487	0.9
85.02873	0.8
86.09692	1.2
89.03918	2.1
91.05496	1.5
93.03400	11.5
93.07041	1.0
95.04967	3.7
98.97583	2.3
99.04446	1.2
103.05459	2.9
106.06549	0.9
107.04963	6.1
109.02879	1.5
111.04441	24.1
114.98823	0.8
116.98648	0.9
117.03383	3.3
119.01856	0.8
120.08098	12.3
121.02822	1.1
123.04434	56.2
127.03919	32.4
130.06552	1.0
130.12282	1.1
131.04924	4.1
135.04422	100.0
136.07585	1.2
137.02309	3.9
139.03906	46.8
140.07114	1.1
140.93564	0.7
141.07018	1.0
148.06406	1.3
148.07571	23.7
149.02338	5.8
149.05914	2.0
151.03896	22.0
157.06427	1.1
159.04459	1.5
161.05998	1.9
163.03912	28.3
169.06470	1.1
173.06012	1.5
174.25308	0.9
177.05505	2.8
179.03410	3.4
185.05992	1.2
187.03886	2.0
195.08937	1.1
196.45724	0.8
197.06041	1.7
201.05415	1.5
203.06995	1.3
205.05003	1.6
213.05441	2.1
214.08702	0.8
215.07007	2.1
225.05466	1.3
229.04950	2.3
231.06543	4.4
241.04916	1.0
243.06544	3.1
259.06039	6.2
261.07593	7.9
271.06009	10.9
271.10760	1.2
271.14270	1.5
289.03738	1.6
289.07086	18.1
289.12216	5.6
289.15433	4.2
289.18030	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.0408
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96577	1.5
57.03432	2.1
58.28783	1.7
63.92059	1.4
69.03417	5.7
70.06592	6.7
71.52238	1.8
73.02917	3.4
74.12725	1.4
76.59151	1.4
81.03429	3.7
82.99876	3.8
85.02908	11.6
85.84280	1.7
94.04990	1.5
94.07044	1.5
97.01382	3.3
97.02892	5.2
98.97557	2.0
99.04479	5.0
101.00892	46.7
103.02387	1.6
109.02907	3.6
113.00870	3.8
115.02435	19.1
117.04012	3.6
119.01933	100.0
126.98811	2.0
127.03928	22.3
129.03978	6.7
131.01897	15.0
133.01718	1.8
133.03482	28.3
137.02983	16.5
141.70129	1.8
142.03430	2.2
143.01915	17.1
144.99835	4.0
145.03447	6.0
147.05014	6.7
149.02989	4.8
151.04526	4.8
152.07108	1.7
157.03482	2.3
159.01547	2.2
161.02977	38.0
163.03961	3.2
168.99803	12.4
171.01396	5.8
172.15091	1.8
173.02959	8.0
175.00919	2.1
183.76971	1.8
185.02959	2.5
187.00894	28.3
189.02509	11.2
191.03973	6.9
196.99333	6.5
199.00948	5.0
201.02524	2.0
203.04033	3.9
205.02002	10.0
207.03526	4.0
207.05339	1.9
207.55319	2.2
215.00381	36.4
217.02002	11.9
217.05443	2.1
219.03554	4.8
224.61494	2.4
229.01976	11.5
231.03539	2.0
233.01460	5.6
247.03000	37.7
257.01471	3.6
265.04092	10.5
289.03952	4.7
289.07764	9.3
289.12054	2.0
289.15024	7.9
289.18286	2.1
293.05313	1.9
307.05075	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	289.0405
Annotation	Unknow
Peak:m/z	Relative Intensity
50.76675	1.4
55.01867	1.9
56.96561	6.7
57.03433	4.3
58.12658	1.4
58.99882	1.7
61.02924	3.4
61.97404	1.6
62.72024	1.6
68.98296	1.9
69.03423	7.6
70.06602	9.3
70.16837	5.6
70.98125	1.8
70.99859	3.6
71.04966	3.4
72.08165	2.4
73.01447	1.6
73.02914	4.5
77.00891	2.1
79.05517	1.6
79.81969	1.6
81.03417	2.7
82.99874	6.8
84.08151	2.4
85.01415	7.0
85.02904	16.8
85.35143	1.5
86.99339	1.9
89.00877	1.8
91.02481	3.5
94.06589	2.4
97.01404	5.1
97.02907	7.7
98.97595	6.3
99.04456	2.4
101.00887	48.9
103.02459	8.3
108.01630	2.0
109.02886	4.9
113.00862	10.0
115.02444	21.1
116.07060	2.4
117.04018	7.1
119.01929	100.0
121.03484	4.8
121.06564	1.7
123.04438	4.5
126.98804	2.0
127.02444	2.2
127.03928	17.2
128.04262	1.8
129.00351	3.5
129.04001	7.7
131.01913	36.8
133.01714	3.3
133.03468	33.7
135.04305	3.2
135.05070	5.1
137.03053	12.6
139.03912	2.3
142.03491	3.2
143.01904	20.4
144.99854	4.5
145.03554	15.3
145.04616	2.5
147.01401	18.9
147.03185	2.3
147.05042	10.5
148.04698	2.3
149.01138	1.9
149.02977	5.7
151.04558	5.9
152.07086	9.0
155.01923	5.2
156.02635	2.3
157.03479	13.0
159.01392	3.7
159.05006	2.4
161.02963	42.5
163.03976	7.6
165.02502	3.0
165.06010	2.0
166.09810	2.4
168.99809	13.5
169.05290	2.3
171.01402	7.2
173.02939	14.4
173.04233	1.9
175.00969	2.4
175.02699	2.4
175.04547	4.2
175.11949	2.4
177.02496	10.3
177.06110	2.0
183.01329	2.1
183.03694	1.7
184.02127	4.0
185.02908	7.6
187.00906	28.0
187.02599	2.5
187.04448	3.2
189.02470	20.1
191.03986	12.7
191.07695	2.2
191.54124	2.0
196.04588	2.0
196.99304	8.7
198.54843	1.8
199.00919	6.3
199.04416	2.4
199.06256	3.6
200.54787	2.4
201.02434	12.0
201.06139	3.0
203.03998	21.4
205.01903	13.2
207.03542	18.6
207.55519	4.4
208.05681	2.3
213.02505	8.2
215.00383	32.1
217.02002	12.2
217.05550	5.1
219.03500	11.0
221.05153	4.9
229.01961	26.3
229.12965	2.3
231.03506	10.6
233.01469	6.6
235.06525	8.1
247.03026	47.6
251.04530	2.9
253.07634	3.8
257.01340	10.5
258.37009	1.8
263.06104	2.5
265.04037	9.8
269.05417	2.4
271.03110	2.3
271.16373	1.7
275.02490	3.7
277.04251	1.8
289.04034	27.6
289.07751	36.4
289.12280	1.7
289.15115	4.9
293.05389	1.6
307.05112	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	287.2369
Annotation	9-cis-Retinol
Peak:m/z	Relative Intensity
53.03941	1.2
55.05505	6.0
67.05187	1.8
67.05509	19.5
69.07078	5.0
71.03371	2.0
79.05493	15.9
81.07060	27.7
81.81122	1.0
83.08588	3.0
88.59039	0.9
91.04958	0.8
91.05476	15.5
91.95775	1.0
93.07053	29.1
95.04987	1.0
95.08611	31.8
95.70737	1.0
97.10152	2.1
98.63757	0.9
105.07035	19.7
107.08602	20.2
109.10165	31.7
111.11723	1.2
117.07029	9.9
119.08588	18.3
121.10147	21.2
123.11694	3.4
129.06998	2.0
131.08578	22.8
133.10158	15.4
135.11702	32.1
143.08546	4.9
145.10133	24.2
147.11690	13.8
149.13289	7.9
153.12727	1.2
157.10114	4.4
159.11702	17.1
161.13300	8.7
163.14774	1.6
171.11707	5.9
173.13275	24.0
175.14839	8.9
177.12724	3.6
185.13263	8.2
187.14813	20.2
189.16386	2.4
191.14307	7.7
199.14801	6.0
201.16370	3.1
203.14299	2.2
205.12375	1.0
205.15866	6.9
213.16431	9.6
217.15834	1.4
227.17986	7.2
231.17451	2.8
241.19507	8.5
243.20854	1.1
245.68767	1.0
269.22641	100.0
287.05511	1.7
287.20160	5.5
287.23676	46.3
295.15439	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.2008
Annotation	1-Methylestra-1,3,5(10)-triene-3,17beta-diol
Peak:m/z	Relative Intensity
53.03942	1.7
55.05501	3.6
56.96559	2.3
57.07067	1.4
59.05011	1.1
66.15802	0.8
67.05507	11.1
69.07059	4.3
69.97137	4.5
72.06686	0.9
79.05490	7.5
79.83559	0.8
81.07062	10.4
83.04974	2.1
83.08585	1.1
85.06526	0.9
91.05460	5.9
93.07042	9.9
95.04960	2.7
95.08612	37.5
97.06522	1.9
97.10178	1.2
98.21422	1.2
98.98457	1.1
105.07023	8.9
107.08590	10.5
109.06512	1.3
109.10134	6.6
111.08084	1.2
115.05462	1.0
117.07021	3.0
119.08565	8.2
120.56493	1.0
121.06509	14.4
121.10155	9.1
123.08057	1.2
129.07002	2.1
131.08580	6.6
133.10159	5.8
135.08012	1.3
135.11700	4.5
142.07741	1.6
143.08565	4.8
145.10136	7.3
147.08072	2.8
147.11716	6.3
149.09648	4.5
149.13264	1.5
155.08562	1.5
156.09372	1.7
157.10130	4.0
158.10895	1.5
159.07912	1.8
159.11726	6.0
161.09630	2.1
161.13287	2.0
169.10110	2.0
170.10899	1.5
171.11708	5.0
172.94357	1.1
173.13252	6.9
175.11145	6.4
177.06767	3.7
181.10126	1.2
183.11717	1.2
185.13249	3.5
186.03900	0.9
187.11226	2.2
187.14850	2.4
189.12753	2.4
190.95345	2.1
191.14313	1.2
194.24881	0.9
195.11711	1.4
199.11177	1.2
199.14822	2.5
203.14307	1.0
204.18300	0.9
209.13258	1.7
213.12727	4.2
213.16283	1.7
229.07523	1.6
229.15929	1.3
231.13969	1.0
232.96533	1.6
241.19534	9.1
243.65887	1.0
245.15501	1.3
247.08791	1.3
250.97571	0.9
251.17995	2.0
269.19025	17.1
269.22595	7.5
276.30545	1.0
287.05389	4.6
287.20065	100.0
287.23584	4.9
288.20245	1.2
288.29111	1.4
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	6-Dehydrotestosterone
Peak:m/z	Relative Intensity
55.05523	5.0
56.96555	2.3
57.07062	1.3
59.05016	5.1
59.51851	1.0
67.05502	5.9
69.07076	5.0
76.92750	0.9
79.05495	5.8
81.07065	7.9
83.08602	2.1
91.05490	9.0
92.19735	0.9
93.07050	8.1
93.37766	1.0
95.04933	1.5
95.08613	18.1
97.10181	1.0
98.21507	3.3
98.98492	1.0
105.07043	9.7
107.08602	9.5
109.10161	6.9
117.07001	9.0
119.08569	12.2
121.10146	6.1
123.11681	1.9
128.06194	1.1
129.07018	10.5
130.07762	1.2
131.08554	11.1
133.10118	5.6
135.11665	2.0
137.09537	1.1
141.94231	0.9
142.04814	1.1
142.07761	1.7
143.08580	11.0
145.10133	18.3
147.11720	8.5
149.09625	1.5
149.13255	1.5
153.09143	1.0
155.08430	1.4
156.09367	2.2
157.10150	7.0
158.10960	1.0
159.11687	9.3
161.09561	1.4
161.13257	3.5
169.10118	1.6
171.11697	39.2
173.13264	16.9
175.07556	1.0
175.11082	1.0
179.10629	1.1
183.11731	1.4
185.13225	11.6
187.11133	1.5
187.14835	2.7
191.10741	1.4
197.13210	1.8
199.11275	0.9
199.14841	14.3
201.16402	2.1
205.12369	1.7
208.18819	1.0
212.15585	1.4
213.12781	1.6
213.16385	4.0
217.12254	3.8
219.13799	4.1
230.24783	3.1
231.13824	1.6
237.16408	1.8
241.19518	100.0
243.21077	4.4
255.17529	2.4
259.20520	2.3
269.19049	3.2
287.05484	4.0
287.20068	61.7
287.31345	2.3
300.34592	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.2007
Annotation	5-Androstene-3,17-dione
Peak:m/z	Relative Intensity
53.03957	0.4
55.01867	0.8
55.05515	1.5
56.96555	1.0
57.03437	0.4
58.66595	0.3
67.05508	3.8
69.03427	0.5
69.07067	1.0
71.17325	0.6
72.30002	0.3
77.30530	0.3
79.05488	3.3
81.07050	3.5
83.04975	1.6
83.08601	0.7
91.05484	4.7
93.07047	6.1
95.04953	1.2
95.08609	9.2
97.06536	9.0
98.97564	0.5
105.07044	3.4
107.08595	3.5
109.06514	2.5
109.10162	2.2
111.08084	100.0
112.08376	0.3
113.05999	1.7
117.07033	2.7
119.08601	5.2
121.06512	1.1
121.10152	2.5
123.08073	12.9
123.11688	0.5
129.07056	1.7
131.08553	3.6
133.10139	2.8
135.08054	1.2
135.11705	0.9
137.09625	6.8
137.10597	0.5
143.08557	0.9
145.10124	2.5
147.11673	1.7
149.09624	5.9
149.10757	0.5
149.13284	0.9
151.11197	0.8
155.08597	0.7
157.10098	1.7
159.11707	4.7
160.12506	0.3
161.09590	0.4
161.13268	0.5
163.03973	0.4
163.11162	0.3
163.14833	0.3
169.03284	0.3
169.10136	0.9
171.11688	2.8
173.09564	0.4
173.13330	0.6
175.11198	0.6
177.12732	0.4
183.11708	0.6
185.13290	1.1
187.11208	0.3
187.14928	0.5
189.12744	0.6
195.11694	0.6
197.13277	1.2
199.11203	0.6
199.14861	0.4
201.12785	0.5
211.14853	0.6
213.12785	0.6
213.16396	0.7
215.07100	0.4
215.14322	0.5
215.18774	0.2
223.14717	0.3
225.16454	0.6
227.14217	0.3
227.17937	0.7
231.17490	0.4
241.15965	0.6
241.19540	2.4
249.79477	0.3
251.17894	1.7
259.09631	0.4
259.20642	0.7
260.10202	0.3
269.19019	9.9
287.05640	0.6
287.20062	61.0
288.20389	0.8
303.04590	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.139
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14061	0.7
53.03938	1.8
55.01867	2.0
55.05505	3.3
55.50271	0.6
56.55457	0.7
56.96571	5.1
57.17881	0.7
65.03941	1.0
67.05505	7.6
68.05022	2.4
68.99783	1.0
69.03423	3.1
69.06730	1.3
69.07066	16.6
69.75121	1.6
69.75533	2.9
70.06590	8.0
70.74474	0.6
71.05008	1.2
72.08153	4.8
79.05482	3.6
80.05022	3.5
81.03417	1.2
81.07050	2.1
83.04979	1.2
84.04498	1.8
84.08130	2.2
85.02898	1.2
86.06059	1.0
86.09715	4.1
91.05472	4.4
92.05029	0.8
93.05778	1.6
93.07043	2.0
94.06568	37.9
95.04964	5.3
95.08604	1.7
96.04490	1.1
97.02892	1.4
97.06524	2.3
98.06059	1.2
98.97580	12.1
100.42168	0.7
104.05029	1.7
105.03377	1.9
105.04620	0.7
105.06999	1.6
106.06526	1.1
107.04940	0.9
107.08602	1.2
108.08153	0.8
110.06063	2.5
110.97568	3.2
112.07610	6.1
115.05419	1.2
116.04986	1.3
116.07013	1.0
116.98642	3.7
117.03381	0.9
118.06544	28.5
119.07319	5.6
119.08615	1.3
120.08120	6.3
122.06028	69.2
123.04468	4.3
123.08087	0.7
128.98619	4.5
129.10255	1.2
130.06506	1.3
134.99603	1.4
135.04416	2.0
137.02354	1.2
137.05983	8.7
137.09657	0.8
139.03925	1.4
140.07066	95.8
142.08675	1.3
143.00230	1.2
143.08580	0.9
144.08043	1.7
146.06010	15.2
146.99675	1.5
147.04391	1.5
147.06786	9.7
148.07573	100.0
152.98579	0.8
156.07835	0.7
157.06416	1.0
158.09621	1.0
158.99686	3.9
161.01329	1.1
161.13405	0.9
163.03918	3.1
164.07076	1.4
171.10417	0.9
174.08783	3.3
175.03888	2.7
177.00699	3.8
177.05473	1.1
182.11830	1.1
186.07591	1.4
189.11447	1.1
193.04964	2.0
199.09946	1.3
200.10789	0.7
203.03470	3.8
206.11742	1.1
213.05557	1.2
214.12282	3.0
216.13756	0.8
219.01608	1.9
224.10733	1.5
224.12726	1.5
226.12331	1.5
227.13844	0.9
237.02773	4.6
241.04819	0.8
241.13313	2.0
241.15561	1.2
242.11746	13.2
242.14061	1.2
243.14954	17.2
245.04463	1.9
259.05948	0.8
259.14294	2.0
263.50613	0.8
269.04663	1.2
269.12799	8.5
270.11246	17.8
287.01953	2.1
287.05487	26.8
287.08420	1.9
287.10660	4.5
287.13922	28.7
287.16779	5.2
287.20349	2.0
305.09088	5.3
305.15015	3.8
305.18085	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.055
Annotation	Cyanidin
Peak:m/z	Relative Intensity
52.12238	0.1
53.03947	0.2
53.39002	0.1
55.05499	0.1
56.96558	0.6
65.03926	0.2
67.01854	0.4
67.05500	0.2
68.99785	1.6
69.03429	0.3
69.48318	0.2
69.48721	0.8
70.06593	0.2
71.04998	0.4
72.08147	0.2
72.39114	0.1
73.02901	0.1
79.05484	0.8
81.03419	0.4
81.07040	0.2
83.04968	0.2
85.02906	0.3
91.05465	0.4
93.07037	0.3
95.04976	0.4
95.08617	0.3
97.02868	0.3
98.97562	0.4
103.05466	0.3
105.03400	0.7
105.07036	0.2
107.04950	0.9
107.08577	0.2
109.02898	0.6
109.10114	0.1
111.00812	1.3
111.04466	0.3
115.05513	0.2
119.04918	0.1
119.08581	0.6
121.02872	5.0
123.93452	0.1
124.07534	0.2
127.03910	0.3
128.06195	0.1
129.07014	0.6
131.08554	0.2
133.02843	0.7
133.10120	0.2
135.04401	0.5
137.02342	1.8
137.05951	0.3
141.06926	0.3
143.06841	0.1
143.08588	0.2
145.06473	0.5
145.10196	0.1
147.04402	1.2
147.08047	0.2
153.01833	9.0
157.06490	1.4
157.17332	0.1
161.05930	0.3
162.05469	0.2
163.03914	0.3
165.01840	3.2
167.08656	0.1
167.53726	0.2
169.06467	0.2
171.04395	0.5
175.03847	0.2
183.02840	1.5
185.05952	0.8
186.07594	0.2
189.05495	0.2
195.08017	0.2
197.06042	0.5
199.03787	0.2
201.05478	0.2
203.03406	0.2
212.04652	0.1
213.05501	2.6
215.07100	0.3
229.04939	0.3
231.06503	0.9
236.55373	0.2
241.04956	1.1
244.03743	0.3
254.54599	0.3
258.05237	1.8
259.06000	0.6
269.04370	0.5
269.13043	0.2
269.19022	0.4
272.03162	0.6
276.08521	0.2
287.05496	100.0
288.05750	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.055
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	0.2
56.96533	0.2
57.03405	0.2
65.03943	0.4
67.01868	0.3
67.05505	0.3
67.90099	0.2
68.99793	1.7
69.03426	0.3
69.07053	0.6
70.06577	0.4
71.25611	0.4
72.08155	0.2
76.07183	0.2
79.05477	0.7
81.03399	0.5
81.07076	0.2
83.04967	0.2
83.06102	1.0
91.05460	0.4
93.07047	0.4
94.04131	0.2
95.04995	0.3
95.08555	0.2
96.73972	0.2
97.02854	0.3
98.97591	0.3
105.03381	1.0
105.07010	0.3
107.04964	1.1
107.08561	0.2
109.02896	0.5
109.10161	0.2
111.00809	1.5
111.04409	0.4
115.05481	0.3
117.07038	0.4
118.19940	0.2
119.04942	0.2
119.08599	0.2
121.02878	5.3
121.10165	0.2
121.45380	0.2
122.06032	0.2
124.07585	0.6
129.07007	0.4
133.02859	0.7
135.04364	0.5
137.02333	1.9
137.05937	0.3
139.03868	0.2
140.07072	0.5
141.07010	0.3
143.08543	0.2
145.06468	0.4
145.10095	0.2
146.06021	0.2
147.04414	1.4
147.08057	0.2
148.07632	0.2
151.03871	0.2
153.01839	9.3
157.06540	1.1
159.79552	0.2
161.05956	0.4
163.03918	0.2
164.07057	0.6
165.01846	3.8
171.04448	0.6
175.03943	0.2
183.02884	1.5
185.05978	0.9
189.05507	0.3
201.05495	0.3
203.03496	0.3
203.07076	0.2
213.05498	2.7
214.12160	0.2
215.06976	0.2
216.04286	0.2
219.01566	0.2
229.04958	0.4
230.09233	1.2
231.06563	1.0
241.04941	1.6
242.11862	0.2
243.14870	0.2
243.57286	0.2
251.17958	0.2
258.05261	1.7
258.09970	0.2
259.06046	0.8
269.04446	0.4
269.18903	0.3
270.11163	0.2
286.04590	0.2
287.05508	100.0
287.11029	3.5
288.05798	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	286.1763
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	1.8
55.64098	0.5
56.05042	0.6
56.96560	1.4
57.03436	1.3
57.07055	0.8
59.04990	2.3
61.02925	5.4
64.01575	0.5
68.05024	1.0
69.03427	1.6
70.06596	8.1
71.04987	5.9
71.45409	1.0
72.08151	0.8
79.05496	2.8
81.04540	0.9
81.07054	11.8
82.05347	1.3
83.05647	0.6
83.06110	9.4
85.02902	1.0
87.08115	1.0
89.03921	2.1
93.04530	6.1
94.06612	0.6
95.06091	16.6
98.97598	1.5
99.08125	0.5
102.86451	0.5
107.06079	2.0
110.07168	100.0
110.97582	0.7
111.05561	1.7
112.07615	6.5
112.08723	2.4
116.98598	0.7
117.03367	1.7
121.02946	0.7
121.07632	1.7
124.03960	1.7
124.99186	0.7
126.03628	0.5
135.04419	3.1
136.08743	0.8
140.07071	3.4
140.31721	0.6
140.32718	0.6
143.00156	1.1
145.02829	1.6
153.04076	0.6
156.07693	14.5
161.01347	0.6
163.03923	12.1
163.12306	55.8
164.04266	0.9
165.04305	0.5
166.06171	1.7
169.03340	0.6
190.13387	9.3
193.13312	1.3
208.14449	13.0
210.16026	1.2
212.06235	1.0
212.15175	1.2
212.81200	0.6
219.01830	0.6
219.11256	3.2
235.06549	0.9
236.13957	8.5
240.17090	9.3
241.15474	1.0
249.02742	0.8
254.15002	21.5
267.04059	0.9
268.16483	1.1
286.17615	90.1
291.03931	0.9
305.07117	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.2212
Annotation	11Z-3,4-didehydro-retinol
Peak:m/z	Relative Intensity
50.92100	0.7
53.03937	1.9
55.05513	5.1
56.74746	0.7
56.96537	0.8
57.03410	1.7
62.46516	0.8
65.84033	0.8
67.05193	1.0
67.05508	13.9
68.71089	0.8
69.07060	5.8
71.14301	0.7
75.07461	0.8
77.07280	0.9
79.05493	11.0
81.03398	3.2
81.07055	19.7
83.04967	0.9
83.08627	3.6
85.02915	1.0
91.05482	14.4
93.06493	1.1
93.07047	16.8
94.29147	0.7
95.04962	2.2
95.08607	21.3
97.06567	1.1
97.10162	1.6
98.97585	0.8
105.07037	17.6
107.08595	11.2
109.09484	1.2
109.10162	17.8
111.08013	0.8
111.11689	0.8
115.05442	1.1
117.07013	15.5
117.07766	0.6
119.08582	11.8
121.06538	5.3
121.09438	0.9
121.10155	9.0
123.08062	1.0
123.11712	3.9
128.06210	2.0
129.06995	8.5
131.08574	25.0
133.06477	1.4
133.10135	13.2
135.08061	1.7
135.11700	8.3
137.09662	1.0
141.06966	2.4
142.07768	1.4
143.08562	12.3
145.10117	18.8
147.08046	1.3
147.11699	10.9
149.09540	1.5
149.13266	4.2
151.11168	0.9
155.08521	5.0
157.10124	11.8
159.11702	13.6
161.09654	1.7
161.13289	6.0
163.11252	0.9
169.10149	7.8
170.10870	1.1
171.11697	12.8
173.09543	0.9
173.13272	8.9
175.11165	2.1
175.14836	2.7
181.10130	1.0
182.11076	0.9
183.11682	11.6
185.13274	13.5
187.14853	3.7
189.12749	5.6
189.16309	1.1
193.12206	2.1
197.13220	6.3
199.14764	5.3
201.16356	2.4
203.14268	3.7
210.06758	0.8
211.14859	9.7
212.15442	0.8
213.16322	2.2
215.14241	1.6
215.17978	3.6
225.09045	1.1
225.16405	8.9
227.17949	9.6
229.15854	2.1
239.17966	18.0
241.19466	1.4
242.05704	1.5
253.08618	3.0
257.22635	2.5
267.21082	58.0
285.07516	5.0
285.11108	2.1
285.18594	9.8
285.22089	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	285.2212
Annotation	11Z-3,4-didehydro-retinol
Peak:m/z	Relative Intensity
52.47554	0.7
55.05498	4.5
56.96553	2.8
57.03418	2.2
57.07066	0.9
60.14952	0.7
63.00006	0.8
64.12184	0.6
67.05503	11.4
68.90315	0.7
69.03408	1.8
69.07069	5.0
70.70628	1.9
71.04978	1.0
71.08636	0.9
76.88629	0.8
78.94567	0.7
79.05487	10.7
81.03397	4.2
81.07053	16.5
83.04977	1.6
83.08600	2.4
85.02901	1.7
91.05473	12.6
91.68430	0.7
93.07043	14.6
95.04955	2.5
95.08602	19.2
97.02863	1.1
97.06515	3.0
97.10150	2.0
98.97581	2.1
105.07032	16.2
107.04930	0.8
107.08591	14.6
109.06498	1.2
109.10146	8.1
111.08046	1.2
115.05440	1.2
117.07020	8.2
119.08585	12.4
121.06480	0.8
121.10149	7.8
123.08072	1.1
123.11691	1.9
128.06184	1.7
129.07002	7.5
130.07777	0.8
131.08575	18.1
133.10135	13.0
135.11688	5.8
141.06946	2.9
142.07748	1.7
143.00146	1.1
143.08556	10.2
144.09230	1.0
145.10123	15.6
147.08031	1.3
147.11673	8.0
147.83525	0.7
149.09628	1.1
149.13226	2.5
155.08553	5.3
156.09384	0.9
157.10129	12.6
158.99577	0.7
159.11693	10.8
160.12016	0.7
161.05882	0.9
161.09567	0.8
161.13258	4.6
163.11246	1.4
165.06996	1.2
167.08475	0.8
168.09386	0.9
169.10126	9.6
171.11691	9.8
173.02429	0.8
173.05998	5.2
173.13283	11.1
175.11198	1.4
175.14781	2.4
177.12779	1.5
181.10094	1.6
183.11700	8.7
185.13252	13.2
187.11208	1.1
187.14723	4.1
189.12697	1.6
189.16383	1.7
191.14308	3.1
193.12259	1.9
195.11711	1.0
197.13242	8.3
199.14804	4.3
201.16319	1.9
203.14282	2.9
210.06619	1.0
211.13083	1.0
211.14828	12.4
213.16408	3.4
215.06984	1.7
215.14301	1.4
217.15868	0.8
222.96889	0.7
223.14708	1.3
225.09087	2.6
225.16379	13.9
226.17094	2.0
227.14349	0.9
227.17934	5.0
229.15971	0.9
229.19475	5.4
231.01883	0.8
239.06995	0.8
239.17964	12.9
242.05748	1.8
243.17390	1.5
249.02586	0.9
253.08569	5.4
257.22653	1.0
259.09561	1.7
259.78232	0.7
267.21069	54.1
270.05127	0.9
285.03958	2.0
285.07532	6.4
285.11389	3.3
285.18576	10.0
285.22092	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	285.2213
Annotation	Vitamin A2
Peak:m/z	Relative Intensity
55.05517	15.2
57.07070	5.5
67.05508	23.4
69.07071	59.6
69.27110	30.4
71.04991	9.6
79.05497	21.4
81.03374	4.0
81.07056	40.0
83.04993	4.3
83.08602	8.6
88.28049	2.9
89.52783	3.4
91.05471	18.0
92.38136	3.1
93.07040	32.7
95.04946	8.7
95.08613	52.8
97.06530	25.0
97.10159	6.4
105.07030	69.6
107.08599	42.8
109.06520	28.7
109.10170	31.6
111.08068	7.7
117.06982	7.0
119.08589	93.2
121.06475	9.9
121.09455	3.6
121.10164	37.7
123.08080	5.3
123.11709	22.9
130.07794	3.2
131.08530	7.7
131.28387	3.6
133.09247	4.8
133.10141	55.0
135.08054	9.4
135.11688	15.3
137.09621	6.4
137.13173	3.6
143.08563	6.4
145.10149	26.3
146.07277	6.9
147.11696	23.0
149.09634	5.2
149.13217	3.6
155.08508	4.0
156.09377	4.7
157.10089	5.7
159.08023	5.2
159.11687	9.8
161.08311	5.8
161.09630	100.0
161.13217	8.7
162.67581	3.4
169.10126	6.2
171.11696	3.9
173.13271	6.5
175.11145	5.9
175.14830	52.5
177.16354	11.0
183.11560	4.7
185.13263	9.8
187.14775	4.7
189.16415	4.9
193.15862	15.4
197.13341	7.6
211.14835	14.4
215.18080	4.5
242.05717	7.8
267.21112	11.8
267.63989	3.4
270.05353	5.5
285.07599	20.0
285.22098	30.3
302.69482	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.185
Annotation	4,4-Bis(4-hydroxyphenyl)heptane
Peak:m/z	Relative Intensity
50.22138	0.2
51.02369	0.2
53.03949	0.3
55.05511	1.3
57.03425	0.2
57.21037	0.1
65.03948	0.2
67.05509	4.6
69.03416	0.2
69.07074	1.2
69.47227	1.0
71.04980	0.3
75.47079	0.2
75.56731	0.2
77.03921	0.2
79.05499	3.1
79.45742	0.2
81.03427	1.5
81.06593	0.3
81.07060	5.2
81.09288	0.2
83.04991	0.4
83.08617	0.6
85.02861	0.2
91.05483	5.1
93.06488	0.3
93.07050	5.2
95.04987	1.0
95.08617	4.8
97.06519	0.2
98.20819	0.3
103.05452	0.2
105.04453	0.2
105.07037	5.3
105.82686	0.1
107.08601	4.4
109.06518	0.4
109.10165	4.3
111.08086	0.5
111.11694	0.2
113.06060	0.2
115.05466	0.5
116.06225	0.2
117.07031	2.8
117.07816	0.1
119.08592	3.0
121.06499	0.3
121.10150	2.1
123.08047	0.2
123.11718	0.4
125.05976	0.2
128.06215	0.4
129.07005	2.2
130.07803	0.3
131.07596	0.4
131.08574	6.4
133.06509	0.2
133.10149	1.7
135.04414	0.4
135.08096	0.4
135.11665	0.2
137.09647	0.2
140.55875	0.2
141.06996	1.4
142.07817	0.7
143.08572	3.6
144.09305	0.2
145.06491	0.4
145.10132	5.3
147.08009	0.4
147.11699	1.4
149.05983	0.2
149.09595	0.5
153.07008	0.2
154.07751	0.3
155.08548	4.4
156.09296	0.3
157.06531	0.2
157.10141	3.5
159.08025	0.7
159.11705	2.7
161.05980	0.4
161.09619	0.4
161.13179	0.3
163.07602	1.0
163.11150	0.3
165.46536	0.2
166.07733	0.2
167.08580	0.4
168.09348	0.7
169.10158	3.7
171.08058	0.6
171.11688	1.8
173.09595	0.7
173.13222	0.3
175.07559	0.6
175.11208	0.6
177.09126	2.8
179.08521	0.3
180.09286	0.2
181.10101	1.3
182.10930	0.6
183.08171	0.2
183.11707	6.7
184.12370	0.4
185.09637	0.6
185.13203	0.8
187.07556	0.3
187.11205	0.5
189.09142	1.1
191.10677	1.6
192.09389	0.3
193.10292	0.3
193.12251	1.2
195.11720	0.8
195.34264	0.2
196.12456	0.5
197.09654	0.7
197.13268	3.8
199.11040	0.2
199.14804	0.3
201.09152	0.4
201.12862	0.2
203.10690	1.1
205.12193	0.3
206.10927	0.3
207.11696	0.7
209.13309	0.2
211.11296	1.7
211.13139	0.2
211.14865	3.2
212.11900	0.2
213.79167	0.2
215.10733	0.8
217.12289	0.3
221.13348	1.0
224.11926	0.2
224.15527	0.2
225.12782	0.9
225.16409	0.3
229.12209	2.3
239.14320	2.0
239.17958	5.2
241.16367	0.2
243.13824	0.6
249.16371	0.5
257.15378	0.4
257.19113	0.2
267.17484	13.7
285.18500	100.0
286.18845	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1698
Annotation	Hysterone D
Peak:m/z	Relative Intensity
53.03938	2.6
55.01868	3.0
55.05506	5.9
57.03437	5.5
65.03944	1.0
67.05506	11.2
69.03439	2.7
69.07060	2.6
69.62113	4.7
71.04992	1.8
74.75076	0.7
79.05494	11.8
81.03421	100.0
81.07060	12.2
82.49263	0.8
83.04974	6.2
83.08624	19.2
85.02915	6.3
85.06496	0.8
91.05486	13.7
93.07047	7.5
95.04973	25.2
95.08624	4.4
97.02904	1.9
97.06518	1.0
97.10162	1.9
105.07040	10.7
107.04966	5.5
107.08604	3.3
109.06516	3.0
109.10178	1.2
111.04457	2.3
111.08085	12.0
115.05411	1.6
117.07021	1.2
119.08590	10.1
121.06506	2.8
121.10170	3.4
123.08099	1.8
129.07005	8.5
131.08591	7.7
133.06522	2.5
133.10136	3.9
135.13974	0.8
137.09644	1.2
142.07799	2.0
143.08551	0.8
145.10077	1.2
147.08066	2.2
147.11690	6.1
148.85626	0.7
149.09659	5.5
149.44832	0.7
153.26184	0.7
157.10146	10.5
165.01930	1.0
165.12732	2.1
175.11188	11.0
188.82275	0.8
193.12253	50.7
211.13283	9.9
267.15894	16.5
285.04095	1.3
285.07816	1.0
285.16754	7.2
285.21893	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1698
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	4.0
55.01876	2.7
55.05510	5.8
57.03438	6.1
59.74643	0.7
65.03937	1.0
67.05508	12.8
69.03428	2.6
69.07063	2.9
69.27859	6.1
71.05003	1.6
72.69420	0.6
77.03967	0.8
79.05489	11.5
81.03420	100.0
81.07058	10.6
83.04967	5.4
83.08621	21.9
83.09125	1.3
85.02907	3.2
85.06533	0.9
91.05486	14.1
93.07050	6.9
95.04973	24.9
95.08611	3.5
97.02901	2.8
97.06525	0.8
97.10178	1.5
99.08148	1.0
105.07036	10.0
107.04968	6.2
107.08607	4.2
107.95225	0.9
109.06538	2.4
109.10188	2.1
111.04447	1.9
111.08083	10.1
115.05444	1.1
117.07014	1.3
119.08595	11.5
121.06534	1.0
121.10129	4.0
123.08063	1.4
124.69646	0.9
129.07011	9.0
131.08586	8.2
133.06520	2.6
133.10149	3.9
137.09659	1.6
142.07845	1.8
143.08461	0.8
145.10155	1.0
147.08051	2.9
147.11674	6.8
149.09615	4.7
155.08437	1.0
156.95723	0.8
157.10126	7.3
165.12794	1.9
175.11194	12.5
183.11722	1.6
193.12254	58.4
196.70818	0.7
197.13322	1.2
211.13263	6.9
211.14952	0.7
239.95142	0.8
267.15759	13.2
274.81604	1.0
285.07779	1.1
285.18802	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	285.1698
Annotation	Hysterone D
Peak:m/z	Relative Intensity
53.03950	2.9
55.01863	1.4
55.05516	7.7
57.03440	8.3
58.75554	0.6
65.25246	0.7
67.05514	12.6
69.03439	2.8
69.07051	3.0
70.96210	1.6
71.01355	0.7
71.04983	2.4
79.05499	14.2
81.03426	100.0
81.07059	15.1
83.04988	5.9
83.08626	18.5
85.02915	5.3
85.06566	1.5
90.23885	0.7
91.05490	16.3
93.07059	8.2
95.04979	28.4
95.08611	4.8
97.02940	3.1
97.06540	2.4
97.10178	2.2
98.97581	0.8
99.08133	1.1
105.07036	13.8
107.04969	6.8
107.08580	4.6
109.06510	3.6
109.10176	2.6
110.97620	0.9
111.04463	2.2
111.08086	10.3
115.05430	1.5
116.38267	0.7
117.07050	2.3
119.08588	11.4
121.06498	1.7
121.10174	4.8
123.08075	1.9
123.11769	1.1
125.09624	1.0
128.06165	0.8
129.07021	10.6
129.29671	0.7
131.08580	8.2
133.06474	3.2
133.10130	6.1
135.08069	1.0
135.11711	1.1
137.09645	1.3
142.07787	2.6
145.10153	1.3
147.08095	3.0
147.11685	7.7
149.09628	4.9
151.03935	2.0
151.11234	1.8
157.10143	11.2
159.11845	1.0
161.87009	0.7
165.12778	2.0
175.11203	13.0
193.12260	52.9
211.13275	8.5
242.05882	0.9
245.45844	0.7
253.08696	1.1
257.04355	0.7
267.15942	17.9
267.20920	1.3
270.05203	0.9
285.04047	2.1
285.07675	6.3
285.10834	1.1
285.16751	9.7
285.22202	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1697
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	2.9
55.01867	2.2
55.05509	6.4
56.96560	2.2
57.03439	5.8
65.03928	0.8
67.05508	13.1
69.03439	3.0
69.07064	2.5
69.45345	1.1
69.45661	4.2
71.04995	2.0
75.04475	0.6
78.78876	0.6
79.05494	11.4
81.03419	100.0
81.07058	12.9
83.04986	4.7
83.08622	21.0
83.09131	1.1
85.02896	4.3
85.06548	0.9
86.23935	0.5
91.05482	14.8
93.07048	6.9
95.04969	24.9
95.08609	4.0
97.02905	2.6
97.06525	2.1
97.07079	0.5
97.10189	1.2
98.97593	1.7
100.63000	0.6
105.07040	11.1
107.04948	5.8
107.08604	4.2
109.06518	2.1
109.10153	1.6
111.04457	1.9
111.08087	11.3
115.05454	1.6
117.07014	1.0
119.04900	0.9
119.08579	9.7
121.06514	1.6
121.10162	4.9
123.04435	1.0
123.08058	1.1
123.11723	1.3
124.99150	0.6
125.09668	0.6
129.07014	9.1
131.08575	6.7
133.06512	2.8
133.10094	4.0
135.11673	0.8
137.09627	0.7
141.07033	0.6
142.07773	2.6
143.00214	0.7
145.10144	1.6
147.08060	2.9
147.11682	7.2
149.09612	4.8
155.08583	0.9
157.10133	10.2
159.11674	0.8
161.05963	0.8
165.12805	1.7
170.99667	0.6
175.11177	12.8
179.00185	0.6
184.35869	0.5
185.01256	0.7
185.13397	0.6
189.00816	0.7
189.16455	0.6
193.12247	58.7
195.09995	1.5
195.36497	0.5
197.01273	1.5
204.74771	0.6
211.13274	7.6
211.14993	0.8
219.17389	1.2
225.00732	0.9
225.09119	0.8
229.08730	1.5
232.02145	0.9
242.05685	1.2
249.02922	1.5
253.02780	0.6
253.08684	1.1
257.04538	0.9
257.08273	1.2
267.15933	16.2
267.20935	1.2
270.05099	0.7
285.04047	2.1
285.07666	6.0
285.10986	0.9
285.16885	5.3
285.22046	3.7
291.03915	1.3
299.05460	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1699
Annotation	Unknow
Peak:m/z	Relative Intensity
50.70054	1.2
53.03937	4.8
55.01867	4.4
55.05510	13.7
56.96554	1.6
57.03440	19.6
59.05006	1.8
61.05040	1.2
65.03945	2.6
66.05684	1.4
66.24278	1.2
67.05508	26.3
69.03422	6.3
69.07063	6.0
71.04998	5.5
71.43584	2.1
79.05072	2.2
79.05500	29.9
81.03423	100.0
81.07063	31.4
83.04972	9.2
83.08624	25.4
85.02913	25.2
85.06535	1.8
87.04491	1.8
91.05483	37.6
93.07052	22.8
95.04972	29.2
95.08609	11.6
97.02895	3.5
97.06542	6.5
97.10175	2.9
101.98958	1.2
105.07030	29.5
107.04955	8.6
107.08582	8.0
109.06545	7.9
109.10192	4.2
111.04448	2.4
111.08092	16.8
113.06003	1.8
115.05519	1.3
117.07021	7.1
119.08588	23.9
121.06518	6.3
121.10156	9.4
123.08106	6.3
123.11689	2.3
125.09682	1.1
128.06248	2.5
129.07008	15.9
131.08569	20.0
133.06505	4.4
133.10153	13.9
135.08058	7.1
135.11682	1.9
137.05998	1.4
137.09631	3.2
141.07022	3.2
142.07819	6.2
143.08546	9.7
145.10144	7.6
145.51584	1.7
147.08080	6.7
147.11703	17.3
149.09602	10.4
151.11195	1.4
155.08577	5.8
157.10141	21.2
159.08124	1.2
159.11740	3.1
161.09601	4.3
162.28712	1.2
163.11116	2.2
165.07013	2.9
165.12796	4.3
167.08656	3.5
168.09399	1.9
169.10141	6.8
171.08113	1.5
171.11661	3.2
173.09578	3.2
173.13237	1.5
175.11177	23.3
179.08588	1.8
181.10146	2.7
183.11722	6.8
185.09605	2.5
187.11174	2.9
193.10458	2.9
193.12257	75.3
195.11740	3.5
197.13257	4.6
199.14799	1.2
200.33072	1.3
201.12737	2.3
205.10291	1.7
207.11729	4.9
209.13304	3.1
210.06844	1.8
211.11308	2.1
211.13219	21.9
211.14821	2.3
213.16440	1.6
221.13313	3.8
223.14778	2.4
225.09120	3.7
225.12817	4.6
225.16336	8.8
227.14319	2.3
229.15901	2.7
237.16370	1.4
239.14394	7.5
239.17924	8.1
243.17587	1.5
249.16550	7.9
253.08638	3.7
255.17473	4.3
257.04373	2.7
257.19040	2.3
259.08554	1.8
262.06061	1.2
267.17819	31.8
285.04019	4.6
285.07565	4.7
285.12357	2.2
285.12857	3.1
285.18436	49.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.0549
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13526	0.9
55.05498	1.2
56.96568	99.2
57.07084	2.2
60.67849	1.1
67.05498	1.9
69.07064	1.3
71.08640	1.0
71.37923	1.0
71.38249	1.4
74.97610	1.1
81.07047	2.8
83.08634	1.2
85.37688	0.9
90.63453	0.9
91.05488	1.4
93.07028	1.5
95.08578	2.9
99.91489	1.0
104.07752	1.0
105.07018	1.8
107.08643	1.5
119.08561	2.3
133.10088	1.0
136.99022	1.0
141.06905	0.9
143.08583	2.0
145.10110	1.7
147.11745	1.2
151.00659	2.5
155.08556	2.6
157.10127	1.4
159.01207	1.2
163.00594	1.8
165.99362	1.1
169.01741	3.9
169.10136	4.4
177.02246	4.6
181.01715	1.9
181.05020	1.5
181.98917	1.4
183.11713	3.3
187.02765	2.6
191.00163	10.0
193.01743	2.4
195.03296	18.4
197.01244	1.6
197.13280	1.4
199.02853	1.7
199.99933	2.3
201.09142	1.4
203.00095	2.0
209.01247	12.7
211.02765	2.2
213.04362	24.4
218.04880	1.9
218.24786	0.9
221.01183	17.8
221.05772	1.1
225.09450	1.2
227.02304	1.2
231.05405	2.0
232.02754	1.5
232.30688	1.0
236.05898	2.4
239.02275	100.0
239.17940	14.2
242.05771	2.6
244.02838	3.9
257.03323	33.9
262.03891	16.8
267.21152	0.9
270.05167	1.7
280.05017	7.1
284.29507	1.2
284.33148	2.0
285.07736	15.4
285.10971	1.0
285.18573	18.5
285.21716	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.0542
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96569	1.9
69.03434	1.0
70.01082	1.4
70.01473	0.8
73.02925	0.5
74.02454	4.2
76.44230	0.5
81.03410	0.8
84.08154	0.8
85.02934	1.2
86.09719	0.5
87.04523	0.4
89.03920	0.8
91.05492	0.9
97.02905	1.1
98.21454	0.5
98.97617	1.0
105.07041	0.7
115.05454	1.8
117.03380	0.6
117.05782	1.1
117.07011	1.1
118.06554	25.2
130.06523	1.5
132.08118	6.3
135.04443	0.7
137.02332	0.7
140.03369	0.9
141.03816	1.1
142.06511	3.6
143.00153	0.7
143.07339	2.7
144.04510	0.6
144.08090	14.3
146.06021	65.1
153.04073	1.1
159.09183	6.3
160.07605	1.0
163.03912	3.9
164.04234	0.6
170.06020	5.3
176.06961	0.5
188.07079	100.0
205.09727	10.1
232.66896	0.5
242.05792	1.0
253.08665	0.7
285.07571	3.1
285.15637	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	284.0991
Annotation	Guanosine
Peak:m/z	Relative Intensity
51.45308	0.1
55.01868	0.2
56.96554	0.3
57.03440	0.4
67.20039	0.1
69.03442	0.2
70.86501	0.3
71.70692	0.1
73.02923	0.2
77.39761	0.2
78.22673	0.2
80.46278	0.1
84.08152	0.2
85.02890	0.3
98.97585	0.4
109.05121	0.3
110.03533	2.2
119.01942	0.3
127.05054	0.3
128.04556	0.7
133.05055	0.2
135.03027	6.2
142.57243	0.2
143.01932	0.2
152.05673	100.0
153.04076	4.2
153.06015	0.2
163.02750	0.2
163.03911	1.0
177.00996	0.5
197.45042	0.2
201.00816	0.2
219.01987	1.1
243.02013	0.7
261.03018	5.1
279.00507	0.2
284.04636	0.2
284.09631	0.2
288.85477	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	284.1858
Annotation	Amabiline
Peak:m/z	Relative Intensity
55.05490	1.2
55.47263	0.5
56.96547	0.6
57.03416	0.8
67.05486	1.2
69.03403	0.9
69.07042	2.0
70.02947	2.4
70.06271	0.7
70.06591	8.7
71.52903	1.0
72.08128	0.6
79.05470	2.4
80.04961	0.5
81.03385	1.4
81.07073	2.5
82.06555	0.5
83.04940	1.0
83.08583	0.8
85.02877	0.6
86.09679	0.8
88.03971	0.8
91.05449	2.1
93.07041	5.9
94.06559	0.5
94.77895	0.5
95.04967	0.9
95.08616	3.1
97.02828	1.0
97.06497	0.6
97.21069	0.5
98.97563	0.8
105.07018	1.2
106.07310	0.5
107.08600	3.6
108.08122	9.3
109.02848	1.0
109.08875	1.0
109.10129	1.5
110.06031	0.6
110.09637	1.5
112.07606	5.8
118.04955	0.6
119.08533	0.5
121.02855	0.6
121.10117	0.6
122.02368	1.4
122.03186	0.7
122.08881	0.6
122.09670	6.8
123.10416	1.5
124.11182	0.7
135.11687	4.2
136.11174	2.7
137.07034	0.6
140.03419	3.7
140.07068	1.7
140.10681	0.7
146.10498	0.5
150.12787	10.5
151.13562	7.2
152.14307	0.6
156.06541	0.5
164.14386	1.2
166.12251	0.6
166.15933	0.8
168.06602	1.0
176.14305	0.5
178.15894	4.4
183.04501	0.5
184.09743	0.9
186.11270	1.5
192.13828	0.6
194.15385	3.0
196.09665	1.3
202.31149	0.5
210.11372	1.9
210.14876	2.5
238.14439	0.8
238.18068	0.5
240.15947	100.0
242.17569	5.5
270.58218	0.5
276.64951	0.5
284.18561	71.2
285.18506	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	284.0976
Annotation	Unknow
Peak:m/z	Relative Intensity
51.69752	1.5
53.03942	5.4
54.98877	1.7
55.01871	8.8
55.05510	4.0
57.03434	8.2
57.07092	2.4
60.04524	2.2
61.02933	9.1
63.33910	1.9
67.05502	2.1
68.28771	1.5
68.99788	1.8
69.03082	2.6
69.03432	37.9
69.07063	7.6
70.57047	5.3
71.04976	6.4
73.02927	12.4
76.04011	18.3
79.05466	2.1
81.03416	32.0
81.07062	4.9
83.08610	3.2
85.02910	98.8
87.00836	42.4
87.04486	2.3
91.03959	4.0
93.07043	5.1
95.08601	5.7
97.02895	58.7
98.97564	2.8
99.04445	20.3
105.01871	64.5
105.07027	2.0
107.08578	3.0
108.04498	10.5
109.02887	33.1
109.10126	1.7
115.03919	2.0
115.97804	1.6
117.01854	3.5
121.10133	4.5
121.65298	1.7
126.05486	3.9
127.03919	100.0
129.01854	5.7
131.97803	1.6
135.11661	3.6
136.12122	1.9
145.04967	77.0
147.02872	3.9
159.02884	27.7
174.50404	1.6
177.04015	1.9
191.18051	2.7
191.19980	1.5
213.03993	3.9
228.13042	2.6
230.06587	3.3
231.04987	31.8
248.07605	5.8
249.06116	10.3
266.08615	2.4
284.09698	5.8
284.15900	2.3
284.22150	5.5
284.29489	4.6
285.22318	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	284.0467
Annotation	Unknow
Peak:m/z	Relative Intensity
51.31824	0.2
56.96572	2.1
57.03432	0.3
61.02935	0.4
63.15139	0.3
63.31716	0.3
65.22330	0.3
69.03424	0.6
70.06583	1.1
70.78379	0.7
71.04983	0.2
73.02930	0.3
73.67777	0.3
82.99857	0.4
84.08143	0.7
85.02912	0.7
86.09692	0.4
89.03937	0.7
97.02892	0.9
98.96944	0.4
98.97585	7.3
101.00886	2.8
109.05190	0.4
110.03516	2.2
110.97556	0.4
116.98634	3.4
117.03414	0.4
119.01924	3.6
121.06511	0.5
122.01426	0.3
128.04587	0.4
129.02148	0.3
131.01897	0.9
134.99713	0.9
135.03020	5.7
135.04463	0.5
136.06198	1.2
136.07527	0.3
137.01903	0.6
137.02951	0.3
140.98839	0.4
143.00133	0.3
143.01941	0.4
145.02859	0.5
150.07809	0.3
152.05679	100.0
153.04083	5.4
154.94135	0.4
155.01952	0.3
158.02454	0.4
158.99960	1.5
159.41521	0.3
161.03004	0.4
163.03880	3.0
164.04279	0.5
173.02977	0.4
177.00951	7.3
177.02423	0.5
182.03471	0.4
182.99913	0.6
185.02696	0.3
201.00900	2.2
217.04025	1.4
217.54735	0.3
219.02011	14.3
220.02132	0.4
223.56279	0.3
225.00822	1.6
242.03662	0.4
243.01994	7.7
243.04282	0.4
252.11447	0.3
261.03070	81.7
262.03226	0.9
266.03403	0.3
275.04575	0.4
278.01154	0.3
279.00592	4.4
284.00061	0.4
284.04675	2.2
284.07278	0.6
284.16452	0.6
302.01312	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	284.0468
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96547	0.4
57.07080	0.1
71.16109	0.1
82.99878	0.3
95.08636	0.1
98.97583	2.4
100.81143	0.1
101.00891	2.6
102.00935	0.2
116.98626	1.6
119.01929	6.3
120.02010	0.4
134.99686	0.7
137.02971	1.3
138.03120	0.1
140.98833	0.4
142.03566	0.2
148.36320	0.1
153.00853	0.2
155.00119	0.1
158.99893	1.3
165.99632	0.3
175.03041	0.4
177.00960	11.7
178.01190	0.2
182.99852	0.7
200.02600	0.2
201.00937	2.0
201.02614	0.2
217.04094	2.4
218.03758	0.1
218.94633	0.5
219.02016	18.3
220.02156	0.2
221.02013	0.3
225.00876	2.2
227.99683	0.1
234.00703	0.2
236.95490	0.2
236.98587	0.4
237.02951	0.1
237.98749	3.1
238.98524	0.2
241.95970	0.2
242.03621	0.4
243.01991	8.7
260.00079	0.4
260.04599	0.2
261.03064	100.0
262.03256	0.7
263.03455	0.3
266.03586	0.5
275.04654	0.1
278.00967	0.2
279.00620	1.5
284.00055	0.7
284.04678	4.3
284.29416	0.3
285.04877	0.1
302.01239	1.0
302.05701	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.2421
Annotation	Aikupikanyne B
Peak:m/z	Relative Intensity
52.16737	1.2
53.03941	2.6
55.01862	3.4
55.05512	20.4
56.96549	3.3
57.03428	3.4
57.07065	3.2
65.09228	1.4
67.05510	23.7
69.07076	12.8
69.41565	1.8
69.41973	8.9
71.04989	3.8
71.08630	3.2
72.43866	1.4
79.05489	14.6
81.03405	1.9
81.07063	39.6
83.04974	6.2
83.08630	11.6
85.06540	2.6
91.04980	1.6
91.05491	14.9
93.07056	22.4
95.04953	3.8
95.08614	30.8
97.06536	3.8
97.10174	24.8
99.04439	2.1
99.08086	3.2
105.07036	23.2
107.08604	18.6
109.06497	2.0
109.10160	15.0
111.04462	3.3
111.08121	2.5
111.11712	1.8
117.07008	6.6
119.08590	19.5
121.06493	1.9
121.10150	18.2
123.11725	6.6
128.06207	1.5
129.06946	1.9
131.08578	17.5
133.10123	20.4
135.11711	18.3
137.13268	2.2
142.07741	1.6
143.08562	5.3
144.09320	2.1
145.10138	27.1
147.11699	17.2
149.13275	9.2
153.12802	7.3
157.10146	5.0
159.11708	31.7
161.09598	2.5
161.13275	14.6
163.11176	8.6
171.11667	5.0
173.09583	1.8
173.13275	21.1
175.14818	6.1
181.12228	5.1
185.13341	4.2
187.14833	37.8
189.16414	1.7
191.10654	1.7
197.13219	1.6
198.32941	1.4
199.14809	5.1
201.16400	16.6
213.16339	4.5
215.18246	1.5
227.12769	11.1
227.17990	3.5
233.13808	1.4
241.19440	1.9
265.19638	1.7
265.21774	11.6
273.97629	1.5
283.15506	16.6
283.20633	12.8
283.24213	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	283.2058
Annotation	all-trans-Dehydroretinal
Peak:m/z	Relative Intensity
53.03932	2.7
55.01854	8.1
55.05505	19.1
56.96562	3.8
57.03437	9.0
57.07055	6.6
59.81868	1.6
67.05508	27.6
69.03416	8.3
69.07070	18.8
69.76691	6.0
69.77127	4.7
71.04996	20.6
75.10292	1.8
79.05491	31.4
81.03407	3.5
81.07060	46.5
83.04977	21.5
83.08603	7.3
85.02890	2.5
85.06540	3.9
91.05489	29.8
93.07052	51.6
95.04984	14.7
95.08619	26.5
97.06542	12.5
97.10175	2.0
98.20834	2.7
103.05437	4.5
105.07036	72.3
106.07799	1.7
107.04929	5.6
107.07888	3.2
107.08590	46.3
109.06509	10.1
109.10162	26.2
111.04449	9.6
111.08061	7.3
111.35700	1.7
115.05418	3.0
116.06197	2.4
117.07024	16.5
119.08587	49.9
119.18679	1.8
121.06509	10.6
121.10152	100.0
123.08107	9.0
123.11691	7.5
125.09643	2.5
128.06253	4.5
129.06984	8.8
130.07755	9.1
131.08575	40.4
133.07581	2.5
133.10129	32.5
135.08075	8.9
135.11699	25.3
137.09579	2.6
139.11194	2.7
141.07021	2.8
142.07742	6.0
143.08566	21.9
144.09338	5.1
145.06541	1.8
145.10123	59.0
146.07216	3.4
147.08031	4.0
147.11693	10.8
149.09592	4.4
149.13240	3.5
153.12750	24.2
155.08551	4.7
156.09322	2.9
157.10110	17.3
158.10890	7.2
159.08031	4.2
159.11710	15.1
161.08328	2.5
161.09602	30.7
161.13280	4.9
163.11182	20.6
165.06929	2.5
167.08519	3.3
169.10112	4.5
171.11690	14.9
173.09616	5.5
173.13264	62.0
175.11128	3.2
175.14783	7.0
179.08527	3.6
180.09308	2.2
181.10141	6.7
181.12192	10.7
183.11702	5.4
184.12415	1.8
185.13240	9.2
187.14809	8.3
189.12828	3.6
191.10622	6.7
193.09955	2.0
194.10794	2.5
195.11661	7.7
197.13184	5.2
199.11278	2.2
199.14772	6.2
201.12724	2.0
201.16292	3.8
209.11552	3.1
209.13249	11.4
211.14775	3.2
213.12737	2.7
213.16389	2.9
223.14833	6.2
225.12521	2.0
225.16406	1.9
227.12621	26.2
227.14278	3.4
241.15797	2.3
255.21072	4.7
265.19489	16.2
283.15521	35.8
283.20517	80.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.2057
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
53.03934	6.7
55.01877	3.4
55.05512	13.0
57.03426	4.4
57.07072	4.7
64.27225	2.1
65.03936	3.2
67.05511	28.2
69.03413	7.4
69.07063	14.3
71.04996	18.4
71.08618	2.7
71.18519	2.1
71.23490	3.7
79.05495	28.7
81.07058	44.0
83.04967	7.4
83.08614	8.3
90.59644	1.9
91.05484	33.4
93.07052	39.8
95.04990	17.1
95.08604	30.7
97.06526	8.3
97.10123	2.3
103.05460	3.3
105.07032	63.4
107.04974	2.9
107.08593	47.5
109.06522	7.9
109.10143	27.0
111.04415	2.7
111.08109	3.5
115.05466	3.7
117.07016	12.9
119.08579	50.1
121.06497	9.9
121.10148	90.5
123.08070	6.2
123.11678	8.1
128.06229	6.1
129.06998	7.4
130.07803	7.4
131.08577	34.8
133.07578	2.9
133.10126	40.0
135.08044	8.6
135.11713	16.5
142.07788	7.7
143.08563	25.0
144.09340	3.3
145.10127	58.4
146.07257	2.5
147.08078	3.4
147.11702	11.7
149.09633	3.0
149.13353	3.7
153.12775	5.3
155.08556	4.8
156.09331	5.1
157.10107	21.9
158.10905	7.3
159.08084	4.4
159.11684	17.0
161.09627	37.1
161.13252	7.6
163.11195	12.3
167.08612	2.6
169.10115	7.2
170.10838	2.5
171.11673	14.9
173.09584	6.3
173.13263	72.5
175.11171	4.1
175.14786	9.5
179.08542	4.6
181.10126	7.9
181.12212	5.0
183.11697	6.8
185.09627	2.9
185.13260	14.0
187.11215	2.6
187.14783	10.3
189.12804	4.3
191.14326	3.8
193.10147	2.6
194.10896	8.1
195.11702	11.4
197.13246	5.6
199.14839	13.4
201.12619	4.0
201.16428	4.2
203.14450	2.5
207.11966	2.6
208.12460	2.8
209.13266	17.9
210.14282	2.7
211.14859	2.8
213.12866	5.1
213.16428	4.7
222.14201	2.3
223.14749	6.9
225.16374	6.5
227.12651	7.4
227.14415	6.1
237.16400	2.1
255.21156	12.5
265.19504	28.2
265.21860	4.5
283.15781	10.6
283.20541	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	283.1541
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	2.3
55.01873	4.2
55.05512	8.9
56.96544	1.0
57.03443	10.2
57.07060	1.6
59.09976	0.7
61.02913	0.7
65.03928	1.4
67.05505	17.3
69.03407	2.8
69.07075	7.4
70.76815	1.6
71.04998	3.2
73.02901	1.6
73.81608	0.7
79.05502	24.3
80.05818	0.9
81.03432	3.6
81.06602	1.1
81.07058	18.6
83.04989	4.4
83.08631	6.0
85.02885	1.6
85.06538	0.7
91.04973	0.9
91.05486	9.6
91.16532	0.7
93.07047	31.1
94.07417	0.9
95.04972	6.5
95.08613	32.9
97.02299	1.1
97.02901	18.9
97.06538	4.5
97.10195	0.8
98.97581	2.1
99.04454	3.9
103.05482	4.7
104.05786	3.5
105.07032	7.9
107.04966	11.3
107.08607	24.4
108.05270	1.8
109.06483	2.0
109.10149	3.9
111.04430	2.4
111.08086	1.6
117.07034	8.9
119.08590	8.2
121.02861	8.8
121.06502	6.6
121.10157	10.8
125.05975	2.6
125.09646	0.9
129.06978	1.3
130.07765	1.0
131.04924	1.8
131.08598	1.3
132.05251	1.1
133.10144	3.4
134.09621	2.9
135.08041	2.3
135.09979	2.7
135.11697	40.3
139.07562	1.6
143.08517	2.4
145.06483	1.0
145.10135	24.7
147.04411	1.0
151.02760	0.9
151.03922	13.1
151.05035	1.1
153.12720	1.4
155.08614	0.9
163.11186	52.7
173.09621	1.1
181.12248	13.2
191.10588	1.7
209.11740	2.7
227.12788	100.0
257.26794	0.6
265.19604	0.9
265.25165	0.7
273.65485	4.2
283.02560	0.8
283.15359	51.4
283.20163	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	283.1539
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	2.9
55.01871	5.9
55.05509	10.8
56.96572	1.7
57.03436	9.3
57.07088	1.3
62.51419	0.6
65.03944	0.9
67.05504	17.2
67.05836	1.4
69.03439	1.8
69.07058	7.7
69.07362	0.7
69.81418	2.5
69.81828	1.4
71.05004	2.0
71.62766	0.6
73.02927	1.6
76.62400	0.6
79.05495	23.5
81.03434	3.7
81.07056	20.1
83.04987	7.5
83.08625	7.1
83.45592	0.8
85.06537	1.1
89.06030	0.7
91.05482	8.9
91.06027	0.9
93.07048	33.7
94.17874	0.7
95.04971	5.1
95.08611	31.9
97.02902	3.1
97.06534	3.6
97.10173	1.6
98.97595	2.3
99.04490	3.7
103.05511	0.7
105.07025	7.3
107.04945	10.5
107.08594	24.1
107.09306	1.4
109.06545	1.8
109.10178	3.3
111.04404	4.4
111.08071	1.7
113.06038	1.4
115.05472	0.9
116.98636	1.9
117.07024	10.1
119.08570	9.6
121.06515	4.9
121.10142	11.9
123.08108	0.7
125.06021	2.7
130.07803	2.0
131.08611	2.1
133.08662	0.7
133.10133	3.5
135.08089	2.6
135.11693	46.0
139.07538	1.3
143.08563	1.3
145.06406	0.8
145.10126	26.2
149.09595	3.6
153.12784	4.8
155.08536	1.1
163.11182	52.6
169.05211	0.8
173.09596	2.0
181.12251	16.5
186.74132	0.7
191.10712	3.2
193.94135	0.7
209.11818	2.6
227.12781	100.0
283.15381	44.0
283.19968	1.1
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
53.03922	2.4
55.01874	5.2
55.05498	10.8
57.03439	10.0
57.07070	5.1
63.96019	1.9
67.05504	19.6
67.06576	1.7
69.07068	9.6
69.59385	4.2
69.59787	9.4
71.04990	2.4
71.08675	1.7
72.08157	4.1
73.08494	3.6
77.08147	1.6
79.05495	22.7
81.03420	2.3
81.07059	19.8
83.04988	5.3
83.08616	11.4
89.06007	5.7
91.05480	6.3
93.07047	36.5
95.04978	5.1
95.08604	34.7
97.02898	4.6
97.06532	5.5
97.10155	3.3
99.04447	5.8
105.07030	8.7
107.04945	7.3
107.08596	20.7
109.06506	3.9
109.10173	3.0
111.04441	2.8
111.08088	2.1
113.06037	2.1
117.07018	10.6
119.08567	10.7
121.06514	6.1
121.10154	15.0
125.06019	2.1
133.10109	2.2
135.08057	2.8
135.11688	44.4
143.78992	1.6
145.10130	25.3
153.12791	1.9
163.11171	54.4
173.09508	1.8
181.12242	13.1
209.11534	1.9
226.00833	1.7
227.12781	100.0
283.15363	39.2
283.22989	8.4
283.28293	47.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.1517
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	1.1
57.03428	0.9
67.05502	1.5
69.07059	0.7
70.90904	1.0
70.91244	0.6
79.05489	1.7
81.03445	0.4
81.07078	1.1
83.08609	0.9
91.05463	0.6
93.07037	1.5
95.04961	0.4
95.08611	2.3
97.02882	0.5
105.07024	0.4
107.08607	1.3
109.10098	0.6
117.07024	0.9
119.08546	0.8
121.02908	0.5
121.10120	1.1
129.06975	0.5
135.11697	1.9
145.10110	1.5
163.11139	2.2
181.12224	0.6
227.12764	4.8
233.11523	3.3
265.14072	1.1
269.12280	1.6
283.15176	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	283.1542
Annotation	Unknow
Peak:m/z	Relative Intensity
52.34597	1.4
53.03940	2.6
55.01862	4.3
55.05511	10.1
57.03445	12.5
57.07073	2.2
67.05180	1.6
67.05511	21.5
69.03434	1.9
69.07067	8.3
71.04990	3.9
73.02899	1.3
79.05496	25.4
79.89435	1.1
81.03403	4.1
81.07067	23.2
83.04985	7.3
83.08613	10.6
85.06512	1.1
89.06023	1.4
91.05497	10.0
93.06486	2.5
93.07050	38.9
95.04988	7.9
95.08617	35.3
97.02887	7.0
97.06529	6.7
99.04443	5.3
103.05444	1.5
105.07050	8.0
107.04954	9.7
107.08601	27.6
109.06515	3.7
109.10139	3.8
111.04437	3.7
111.08052	1.8
117.07010	13.0
119.08589	12.1
121.06523	7.4
121.10165	13.9
125.05974	3.4
130.07761	3.2
131.08575	2.8
133.10133	3.6
135.08075	1.9
135.11696	45.6
143.08574	1.6
145.10126	27.5
146.39583	1.4
153.12720	2.1
155.08545	1.7
163.11194	57.6
173.09654	3.4
180.52333	1.3
181.12283	18.8
191.10660	2.6
209.11632	5.8
227.12794	100.0
283.15390	48.8
283.20444	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	283.1402
Annotation	Unknow
Peak:m/z	Relative Intensity
55.28148	0.2
57.03442	0.3
60.05617	0.2
69.03400	0.3
70.25000	0.6
73.02919	0.7
80.70158	0.2
85.02902	0.6
86.06071	0.4
87.04475	0.9
92.05013	0.9
94.06575	1.7
94.93018	1.1
97.02888	0.3
98.97591	0.2
104.07112	0.3
105.41316	0.2
110.06028	0.7
112.89597	0.4
127.03912	0.3
128.08214	0.3
138.05507	100.0
139.05888	0.7
145.03471	0.3
146.09254	4.3
148.04774	0.2
161.02963	0.2
163.02739	0.2
176.93520	0.6
181.96220	0.3
183.05038	0.3
183.55141	0.7
184.04868	0.3
192.05586	0.2
192.55638	0.7
193.05334	0.3
193.06483	0.3
193.55965	0.2
208.97249	0.9
223.06677	0.2
256.80084	0.2
283.74847	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	282.1197
Annotation	2'-O-Methyladenosine
Peak:m/z	Relative Intensity
55.01878	0.3
56.96563	0.8
57.03419	0.8
59.04996	0.5
61.02915	0.5
68.55560	0.2
69.03429	2.6
69.41048	0.5
69.41464	1.3
70.06591	0.6
73.06547	0.3
73.37592	0.2
75.04474	0.3
84.04507	0.5
84.08142	0.6
85.02888	1.2
86.42655	0.2
87.04472	0.8
93.07011	0.2
94.04035	0.5
97.02886	0.8
98.21555	0.4
98.97569	0.9
101.06018	0.9
103.07594	0.4
115.03922	0.5
116.98592	0.5
119.03554	0.8
120.08088	0.5
121.08447	0.5
123.07922	0.9
123.68132	0.2
124.08314	0.5
129.05469	0.3
129.10172	0.2
134.09677	0.4
135.04472	0.4
136.06184	100.0
137.04575	0.4
137.06630	0.4
147.06525	0.4
150.07704	0.4
158.99655	0.3
162.04085	0.4
163.03830	1.2
181.07208	1.6
195.11310	0.7
206.11760	0.4
234.04202	0.2
239.09442	0.2
258.07379	0.4
258.60938	0.3
282.07474	0.4
282.11816	5.3
282.19193	0.9
282.22244	0.9
282.27737	0.3
300.06201	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	282.0138
Annotation	Unknow
Peak:m/z	Relative Intensity
54.98631	0.7
56.28958	0.5
56.96568	7.6
62.81539	0.5
63.74698	0.5
69.07086	0.6
70.70766	1.6
71.95261	2.5
92.55939	0.5
98.97590	100.0
101.00894	1.3
110.63536	0.5
116.98627	61.2
118.66092	0.6
118.69634	0.5
119.01928	2.1
121.44765	0.5
134.09673	1.1
134.99670	24.2
140.00195	1.3
142.03648	0.7
153.00734	2.5
158.01222	0.7
169.34593	0.5
177.00871	0.7
190.60338	0.5
193.57053	0.6
217.00325	0.7
219.01999	5.3
220.02188	1.0
234.99724	0.7
236.98611	2.9
240.98473	3.6
258.99774	51.1
260.00110	1.3
277.00824	73.5
278.01004	0.6
278.30988	0.5
281.98343	0.6
282.01373	1.3
282.22232	1.4
293.73148	0.6
299.67139	0.6
300.02460	2.8
301.01120	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.19
Annotation	Sucutinirane D
Peak:m/z	Relative Intensity
53.03934	1.6
55.05498	1.7
61.33981	1.0
67.05511	4.9
69.07048	3.1
69.50375	2.1
69.50790	4.4
71.88411	1.0
79.05500	4.8
81.03422	10.5
81.07066	8.1
91.05473	12.0
93.07049	6.2
95.04983	5.4
95.08584	4.9
105.07032	27.6
107.04943	1.2
107.08586	6.6
109.06510	3.5
109.10147	4.1
117.07005	3.2
119.08573	11.4
121.06493	4.7
121.10149	1.4
128.06181	1.5
129.07008	2.6
131.04913	4.7
131.08588	6.0
133.06500	11.2
133.10138	2.1
135.08064	2.1
135.11693	1.3
140.90263	0.8
141.06964	1.8
143.08533	5.2
145.06485	3.2
145.10146	6.6
147.08057	11.8
147.10518	1.8
147.11697	29.8
155.08569	1.9
156.09361	1.2
157.06520	1.0
157.10159	4.7
159.08086	4.1
159.11687	2.5
160.51804	1.0
169.10133	3.6
171.08157	1.4
171.11679	4.3
173.09631	23.1
173.13194	1.2
175.11232	1.0
179.08514	1.4
181.10197	1.9
183.11694	1.9
185.09602	2.5
185.13263	2.1
187.11229	2.6
187.14821	3.0
191.44466	1.1
195.11713	1.4
197.09564	1.4
197.13239	1.8
199.11176	4.7
199.14853	6.7
201.12785	1.2
207.11758	1.6
209.13043	1.3
211.11224	1.2
221.13242	2.1
225.12776	2.8
235.14680	2.4
239.14268	2.4
253.15912	5.1
253.19452	2.5
263.17825	3.3
281.19009	100.0
282.19214	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.1748
Annotation	Furodysinin hydroperoxide
Peak:m/z	Relative Intensity
53.03956	7.8
55.01856	4.3
55.05513	37.0
56.96556	2.6
57.03437	31.1
65.03918	5.5
67.05508	81.7
69.03419	3.7
69.07070	15.7
70.62419	4.0
71.04977	3.3
71.74891	1.5
73.06555	3.1
74.10013	1.5
79.05495	100.0
81.03431	12.9
81.07055	67.4
83.04985	37.5
83.08610	9.9
85.06521	6.1
88.88212	1.6
91.05486	73.6
93.07047	71.3
95.04973	30.3
95.08609	38.0
97.02879	3.0
97.06533	9.2
97.10185	8.1
98.97587	2.4
103.05441	3.9
105.04506	2.3
105.07038	51.1
107.04982	10.5
107.08600	27.0
107.52983	1.4
108.97243	1.5
109.06521	10.3
109.10132	9.0
111.08063	2.2
117.07042	10.4
119.08580	30.4
121.06508	5.2
121.10156	7.4
123.08069	10.5
123.11735	1.9
128.06236	3.5
129.07005	20.3
131.08553	3.7
133.10132	18.0
135.11665	4.7
137.09489	1.8
143.08565	9.0
145.10135	12.2
147.08083	3.3
147.11691	44.9
150.02710	2.2
151.02821	1.8
152.31519	1.6
157.10109	1.8
159.11671	1.8
161.09598	2.9
161.13277	17.8
171.11705	35.5
189.12778	12.0
207.13846	19.3
263.16302	1.8
281.14355	4.1
281.17474	70.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.1749
Annotation	Furodysinin hydroperoxide
Peak:m/z	Relative Intensity
53.03949	10.4
54.57309	1.3
55.01862	4.8
55.05513	36.0
56.96564	1.7
57.03441	28.9
57.07061	3.5
65.03940	3.2
67.05507	87.2
69.03416	4.2
69.07066	13.6
70.23377	4.8
71.04980	2.8
73.06543	2.8
79.05495	100.0
80.05914	1.2
81.03425	16.4
81.07059	66.5
83.04983	33.7
83.08614	10.3
85.02859	1.5
85.06541	2.8
91.05485	68.1
93.07046	84.0
95.04973	27.5
95.08611	45.6
97.02895	3.8
97.06524	6.9
97.10147	5.4
97.68026	1.5
98.21453	1.7
99.08090	2.4
103.05431	1.9
105.04522	4.4
105.07034	55.7
107.04970	10.0
107.08591	28.1
109.06518	12.6
109.10143	10.9
111.08096	3.0
117.07018	10.0
119.08584	33.8
119.09367	1.0
121.06470	3.8
121.10117	8.0
123.08054	8.9
125.09627	2.7
127.07542	2.7
128.06145	1.7
129.07008	19.5
131.08572	4.0
133.10133	12.8
135.08018	2.9
135.11725	3.3
136.90494	1.4
139.04008	1.4
143.08580	10.5
145.10149	12.4
147.08023	3.1
147.11690	45.7
151.11198	1.8
156.09399	1.5
159.11783	2.1
161.09566	6.6
161.11990	1.6
161.13266	19.8
163.11206	1.6
171.11700	35.8
179.58710	1.2
184.84596	1.3
189.12750	15.4
207.13821	18.6
281.17474	74.7
286.79935	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.1133
Annotation	H-PHE-ASP-OH
Peak:m/z	Relative Intensity
56.96577	0.4
70.00743	1.2
70.02957	23.2
74.02443	15.0
74.02863	0.7
79.05472	0.3
80.06952	0.4
82.96535	0.3
84.04497	0.3
88.04005	2.5
91.05476	0.6
93.07043	1.1
96.08179	0.3
98.97589	0.7
103.05479	5.2
107.04965	1.3
116.03411	0.5
118.06563	0.3
120.08109	100.0
121.08480	0.5
129.07048	0.5
130.06520	2.1
131.04948	2.5
132.08165	0.3
133.96394	1.1
134.96748	0.7
136.06175	1.7
144.08022	0.4
146.05998	1.1
146.09637	0.6
148.07530	0.4
149.05983	1.2
150.02721	0.4
162.04129	1.5
163.03943	0.5
166.08647	25.7
172.07637	0.8
187.07526	0.4
189.10248	2.5
190.08580	0.4
217.09789	0.4
218.08144	1.3
235.10780	32.2
243.00917	0.3
257.93408	0.3
263.10266	1.1
280.98169	0.5
281.11337	15.7
281.14523	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.2319
Annotation	Gorlic acid
Peak:m/z	Relative Intensity
53.03944	1.1
55.01867	0.9
55.05512	8.2
57.07068	1.9
61.32212	0.5
65.03938	2.2
67.05504	97.8
69.07067	9.6
69.73105	1.2
69.73523	2.5
71.04994	1.1
77.56682	0.6
79.05490	11.8
81.07054	100.0
83.04992	1.1
83.08617	5.0
85.06546	2.2
91.05487	2.7
93.07037	11.8
95.04996	0.7
95.08606	81.9
97.06547	1.0
97.10179	2.5
105.07049	3.1
107.08596	7.8
109.06560	0.9
109.10157	23.5
117.07010	1.3
119.08594	3.0
121.10143	6.3
121.46033	0.5
123.08083	1.6
123.11704	15.0
124.81307	0.6
127.07531	0.7
131.08563	5.5
133.10136	3.0
135.11684	3.9
137.09604	1.2
137.13257	12.0
145.10112	2.3
147.11729	2.9
149.02357	10.8
149.09627	1.5
149.13251	3.4
151.11206	0.8
151.14810	4.5
159.11670	2.3
161.13278	2.8
163.11177	2.0
163.14812	1.4
165.16451	0.7
167.10654	0.7
173.13283	5.8
177.12735	1.8
177.16325	0.6
179.14313	0.7
181.12222	1.9
187.14806	2.5
191.14346	2.0
195.13815	3.3
197.15570	0.6
205.15857	1.3
209.15395	4.0
219.21074	0.8
223.16953	2.8
237.18355	0.9
243.21098	2.0
261.22144	2.8
279.23181	27.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	278.1963
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	2.2
55.05498	2.4
56.05036	3.1
56.96558	2.5
57.03449	1.5
57.07064	4.3
58.06587	5.1
59.07580	1.2
60.04513	1.5
65.03925	1.6
65.52365	0.9
67.05488	3.5
69.03418	2.6
69.07075	7.4
69.44683	8.9
70.06583	1.3
70.07384	2.7
71.04994	3.6
72.08167	1.7
74.06086	2.9
79.05493	4.4
81.03410	3.6
81.07053	4.7
82.06110	1.0
83.04977	1.8
83.08614	1.7
86.06065	4.4
88.07632	24.1
89.06010	1.3
91.05479	4.1
93.03429	1.2
93.07029	3.5
95.04962	4.1
95.08614	2.0
97.02902	9.0
97.06539	19.1
98.06870	8.9
98.21481	2.5
98.97586	4.5
104.07100	4.6
105.03395	11.7
105.07009	3.8
107.04964	1.9
107.08571	3.2
111.08096	1.7
113.05996	1.3
114.05559	2.2
119.08581	2.1
121.10124	3.8
129.06993	2.9
130.07346	5.0
131.08627	2.1
132.10191	7.6
133.10126	5.0
136.04779	1.6
138.02728	1.6
138.05467	5.9
139.11160	1.0
142.07417	1.3
144.08076	1.8
145.03549	1.5
147.11737	2.7
149.02322	10.2
149.09590	2.8
149.13391	1.2
155.85646	1.1
157.10185	2.4
158.06825	4.2
159.04514	2.2
161.02324	2.4
162.02684	1.9
162.11263	1.4
163.03928	8.7
164.04253	8.7
166.10799	2.3
169.03433	1.5
170.06758	1.6
173.02339	3.4
174.02698	3.9
174.06352	1.2
175.07420	1.8
175.11163	4.3
175.89131	1.2
176.07912	5.3
185.05919	1.8
186.06293	6.1
186.18541	33.3
187.04573	1.9
191.03360	1.1
192.03685	3.6
193.12274	6.6
197.02960	1.9
199.13281	1.7
204.07391	3.7
211.13297	26.1
214.05856	3.4
215.04039	3.0
215.07069	5.1
216.07399	12.6
216.38698	1.2
223.48141	1.1
225.14978	1.9
230.21135	11.2
232.06856	7.5
233.05063	3.3
234.08481	1.9
246.07443	3.4
259.09711	4.9
260.06628	1.8
260.09998	11.1
278.07425	12.4
278.10458	10.0
278.23282	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	278.1024
Annotation	N-Hydroxyannomontine
Peak:m/z	Relative Intensity
51.02373	0.7
52.18813	0.4
53.03953	4.1
53.61084	0.4
55.01867	0.4
55.05502	0.4
56.05037	3.0
56.96556	0.7
60.04531	3.2
67.05508	1.1
68.05034	9.1
69.03435	5.9
69.07068	1.3
69.28783	1.2
69.29203	2.5
77.03941	1.5
79.05482	0.9
81.03395	0.5
81.07038	0.6
82.06577	0.7
84.04506	4.1
85.02908	1.0
86.06080	2.1
93.07078	0.5
95.04987	4.3
96.04025	0.3
96.04496	14.6
97.02894	75.1
97.06534	1.0
98.06057	0.5
98.06873	0.5
98.21510	1.1
105.03393	100.0
105.04542	2.7
110.06036	1.6
110.38408	0.4
114.05534	18.6
123.04414	1.3
130.07813	0.4
135.04529	0.5
138.05504	59.8
149.02342	1.7
150.46747	0.4
156.06560	5.7
162.19724	0.4
163.03905	1.8
164.04257	0.8
169.03511	0.5
187.04425	0.7
218.05336	0.8
218.08057	0.5
219.06548	1.2
228.06369	0.5
233.05118	0.7
236.09155	0.6
259.09656	0.5
260.09985	2.9
278.10239	93.1
285.28986	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.2163
Annotation	Stearidonate
Peak:m/z	Relative Intensity
53.03927	5.0
55.01870	1.5
55.05269	1.4
55.05515	17.8
57.07070	2.7
57.70719	1.2
67.05189	1.9
67.05509	28.3
69.07069	14.0
69.93811	1.0
71.04984	1.3
71.21841	1.3
77.03925	1.4
77.58049	1.1
79.05494	80.2
81.06599	2.0
81.07059	35.0
83.04955	2.0
83.08615	7.7
83.77505	1.0
85.06539	2.5
91.05483	27.9
92.36403	1.2
93.07044	100.0
95.04946	4.5
95.08065	1.7
95.08614	22.0
97.06532	2.0
97.10155	4.5
105.04523	2.3
105.07037	13.3
107.08595	45.5
109.06532	1.3
109.10155	13.2
117.06979	2.6
119.08575	9.7
121.10147	42.0
123.08064	1.6
123.11705	2.7
125.09621	1.6
131.08557	4.0
133.10126	9.8
133.55492	1.0
135.11696	50.3
137.48314	1.0
143.08528	3.0
145.10130	2.5
147.11696	7.0
149.13261	16.9
157.10150	2.1
158.97208	1.2
159.11676	3.9
161.13261	4.9
163.11200	1.3
163.14796	4.1
171.11671	3.1
172.94943	1.1
173.13245	1.2
175.11292	1.1
175.14816	1.2
177.75060	1.1
181.12181	1.2
185.13309	3.1
189.12732	1.2
195.13831	1.8
207.13727	1.9
221.15358	3.8
235.16959	3.4
241.19568	1.4
249.53799	1.0
259.20648	3.3
277.21625	65.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.2163
Annotation	6Z,8E,10E,12Z-Octadecatetraenoic acid
Peak:m/z	Relative Intensity
51.02369	0.7
53.03946	3.8
55.01863	2.6
55.05514	19.0
57.03438	1.8
57.07081	3.4
65.03939	2.0
67.05508	41.3
69.03425	1.1
69.07074	15.8
69.23946	0.8
69.24348	4.4
71.04986	2.2
71.08634	27.5
72.72122	0.5
73.06568	0.7
74.77441	0.5
77.03922	0.7
79.03123	0.6
79.05496	55.7
79.97176	0.6
81.03417	5.2
81.07060	49.7
83.04993	7.0
83.08625	7.8
85.06551	2.4
91.04897	0.9
91.05484	27.3
93.07048	87.2
95.04981	8.3
95.08611	30.1
95.09249	0.7
97.06535	5.7
97.10178	3.6
98.21484	1.0
99.08099	21.0
101.06021	0.6
105.04541	1.7
105.06319	0.9
105.07034	18.4
106.04173	0.6
107.04951	5.3
107.08597	49.6
109.06534	3.3
109.10156	10.9
109.10844	0.9
111.08102	1.8
113.09666	1.2
117.07018	4.1
119.06080	0.8
119.08588	13.0
121.06538	1.0
121.10148	43.7
123.08092	2.5
123.11729	2.1
129.07005	2.0
131.08591	4.5
131.18338	0.6
133.10139	9.5
135.08099	1.0
135.11694	53.1
137.06013	0.7
137.09613	2.9
137.13268	0.7
139.11160	0.9
141.09106	2.3
141.12729	0.8
143.08574	2.3
145.10138	4.9
147.11685	6.3
149.09631	1.3
149.13274	15.5
151.11189	11.7
157.10109	2.2
159.11703	3.1
161.09656	0.8
161.13268	9.3
163.11212	5.2
163.14825	3.7
165.12776	0.9
167.10683	2.8
171.11690	1.7
173.13272	2.2
175.11191	0.8
175.14851	1.7
177.12773	2.8
179.14323	41.4
181.12233	1.9
185.13284	2.4
187.14848	0.7
189.12740	2.7
191.14423	0.6
195.13863	3.0
199.14752	0.9
207.13907	0.7
211.38063	0.5
217.15974	0.7
217.19528	0.8
221.15335	4.3
231.17438	1.1
231.21034	0.8
235.16913	5.1
241.19482	2.2
259.20590	6.6
277.21634	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.2163
Annotation	Stearidonate
Peak:m/z	Relative Intensity
51.92386	1.2
53.03928	4.1
55.01865	2.0
55.05511	15.2
57.07059	1.9
57.70422	1.2
58.70990	1.3
58.87131	1.4
67.05505	31.0
69.06725	1.7
69.07066	15.5
69.21595	1.2
69.84248	6.7
75.29176	1.4
77.03940	1.8
79.05495	65.6
80.00267	1.2
81.07056	33.4
83.04972	1.2
83.08633	7.9
85.06602	1.6
91.05482	23.4
93.07043	100.0
95.04946	4.0
95.08609	23.8
97.06506	1.9
97.10158	3.6
105.07018	12.2
107.08595	46.9
109.06528	1.4
109.10150	15.0
111.08006	1.4
117.07007	3.5
119.08554	10.2
121.10146	43.3
123.08049	1.8
123.11726	3.1
129.06984	1.9
131.08563	3.9
133.10124	11.6
135.11691	59.9
145.10083	2.5
147.11676	5.8
149.09650	2.1
149.13258	24.6
157.10100	1.7
159.11688	3.1
161.13246	4.7
163.11186	2.2
163.14870	6.3
171.11739	2.1
175.14839	1.7
185.13188	1.6
189.12708	2.2
195.13826	3.0
199.14871	1.6
199.33229	1.4
203.24472	1.4
203.54501	1.3
207.13799	2.0
213.16553	1.7
221.15355	2.8
231.17500	1.7
235.16925	3.5
241.19609	2.2
259.20639	3.8
275.81754	1.4
277.21631	82.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.2163
Annotation	Stearidonate
Peak:m/z	Relative Intensity
53.03935	4.3
55.01865	3.6
55.05517	17.8
56.96564	2.8
57.07080	5.5
67.05506	39.8
69.07070	17.7
69.59314	7.5
71.04985	3.1
71.08624	5.0
77.03919	1.2
79.05496	61.3
81.03400	2.7
81.06590	2.2
81.07060	40.3
83.04965	2.9
83.08630	6.7
85.06541	2.2
91.05486	26.7
93.07047	85.0
95.04960	5.6
95.08610	25.4
97.06546	2.4
97.10172	4.5
99.08102	5.5
100.89973	1.1
101.24921	1.3
103.05479	1.3
105.04499	1.6
105.06394	1.8
105.07036	19.0
105.31802	1.2
107.05002	1.6
107.07876	2.3
107.08602	45.7
109.06510	4.7
109.10165	13.9
111.08066	3.9
116.94696	1.1
117.07018	4.7
119.08573	13.0
121.06504	1.7
121.10154	36.7
123.08092	2.6
123.11724	3.3
125.09661	1.9
129.06956	1.4
131.08598	4.0
133.10130	12.6
135.08105	2.4
135.11697	40.9
135.12720	2.0
137.05983	2.3
137.09618	3.1
137.13264	2.2
139.11148	1.4
143.08580	3.1
145.10144	4.1
147.08014	2.3
147.11684	9.4
149.09599	3.7
149.13260	15.6
151.11182	2.8
157.10129	3.8
159.11682	3.4
161.09615	2.4
161.13293	8.0
163.11194	4.8
163.14796	7.0
165.12747	1.3
171.11684	3.5
173.13260	2.7
175.11208	2.0
175.14833	4.3
177.12772	1.6
181.12198	1.5
185.13231	2.1
195.13808	2.6
199.14871	2.7
203.14374	1.5
207.11684	7.1
207.13641	2.2
208.77664	1.2
213.16338	1.8
221.15396	4.2
223.45856	1.3
231.17679	1.7
231.21077	2.2
234.51944	1.2
235.16963	5.0
241.19522	3.4
259.20557	8.4
271.66562	1.1
277.21646	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.2162
Annotation	6Z,8E,10E,12Z-Octadecatetraenoic acid
Peak:m/z	Relative Intensity
53.03944	4.4
55.01860	2.7
55.05273	1.0
55.05513	13.0
56.96571	4.1
57.03432	1.4
57.07076	6.8
59.04998	0.7
65.03935	1.6
67.05507	34.4
69.03409	2.2
69.06683	0.7
69.07070	13.3
70.76233	0.6
70.76563	1.3
70.98116	1.3
71.04995	4.6
71.08627	5.4
76.44624	0.5
79.05496	32.5
81.03421	16.1
81.07057	35.2
83.04999	4.0
83.08610	3.6
85.06545	6.4
91.04912	0.6
91.05483	17.0
93.07046	46.3
95.04967	39.0
95.08609	19.2
97.06506	2.4
97.10184	3.3
97.99178	3.8
99.08092	4.2
105.04525	1.1
105.07035	13.6
106.77039	0.5
107.04961	1.5
107.08591	20.6
109.06518	4.9
109.10159	9.3
111.08083	1.6
111.11684	0.7
117.07009	4.2
119.06038	0.5
119.08579	8.9
121.06509	2.0
121.10149	15.5
123.08044	2.3
123.11690	5.1
125.09621	1.1
129.07008	2.2
131.08575	4.4
133.10135	8.6
133.11682	0.6
135.08066	2.1
135.11702	15.1
137.09628	6.8
137.13303	1.1
139.11156	1.5
143.08521	2.5
145.10143	5.3
147.08092	1.2
147.11699	9.3
149.09612	2.1
149.13258	8.5
151.11185	21.7
154.26537	0.6
157.10147	2.1
159.11708	3.9
161.09579	1.1
161.13245	4.4
163.11200	2.5
163.14784	2.2
165.12743	2.2
171.11681	2.0
173.13310	3.8
175.11142	1.6
175.14857	1.9
177.16304	1.2
179.10681	0.9
179.14275	1.3
185.11836	0.6
185.13283	2.6
187.14819	0.6
189.12732	1.5
191.14249	0.9
193.12198	0.7
193.15910	2.5
199.14885	1.4
203.14326	1.0
207.13791	1.0
213.16331	0.6
221.15370	9.9
224.62183	1.6
231.17230	0.7
231.21063	1.2
235.16939	2.7
236.12975	1.5
239.16066	0.7
241.19562	3.3
245.13533	1.7
249.22186	3.0
255.21016	1.8
259.20618	4.6
277.21628	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.0769
Annotation	Unknow
Peak:m/z	Relative Intensity
54.66887	0.3
56.96583	1.8
57.03442	0.5
57.07071	0.4
69.03433	1.8
70.06598	0.5
70.87068	0.7
70.99856	0.8
71.04992	1.0
81.03422	1.5
82.99827	1.8
84.04527	0.8
84.08146	0.7
85.02903	1.6
89.00884	1.2
94.06580	0.6
95.04985	0.4
97.01416	0.6
97.02920	0.5
98.97591	3.8
99.04464	0.8
100.00104	1.2
101.00885	13.3
102.05526	0.5
103.00657	2.5
109.02879	1.5
110.80505	0.4
110.97575	0.8
113.00870	2.7
115.02440	2.0
116.98616	0.8
117.02136	0.5
118.01151	0.5
119.01920	13.0
121.01677	3.7
127.02452	1.4
128.98640	1.0
129.02209	0.9
129.04001	0.7
131.01924	3.3
133.03496	4.4
135.04425	0.4
136.06210	0.7
137.02971	1.4
138.01649	1.3
139.02425	2.8
141.03951	0.5
142.01108	1.1
143.01878	4.1
145.03548	2.9
147.03221	2.5
151.04541	0.6
155.01920	1.2
156.02673	3.9
157.03474	11.4
158.99680	0.5
159.01442	1.7
159.05089	1.0
160.02200	1.0
161.02977	6.9
163.03880	2.9
166.01176	1.1
167.01912	1.1
169.03513	1.5
171.03291	3.0
171.05084	1.0
173.01260	0.6
173.02980	1.7
173.04712	0.5
175.00938	1.2
175.02974	0.8
175.04520	5.3
176.04126	0.4
176.08157	0.5
177.04420	0.4
179.04094	0.4
181.03477	1.0
183.05070	1.2
184.02159	3.6
185.02963	4.2
187.02765	1.1
187.04552	1.8
189.02646	0.8
189.04352	3.3
189.06058	0.9
191.02277	0.4
197.03122	0.5
199.02812	0.9
199.04579	4.4
201.06050	0.6
202.03258	0.5
203.04048	1.5
205.05568	0.7
215.04176	0.5
217.01981	1.7
217.03780	0.7
217.05559	4.4
219.01860	1.6
221.05168	0.6
223.02921	0.5
231.05508	1.4
235.03069	1.2
235.06654	8.0
237.02867	1.4
245.05124	0.5
249.06532	0.6
253.07677	4.2
258.99811	0.7
259.06738	0.8
277.07755	100.0
278.07864	0.5
295.07169	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.0708
Annotation	Corymbiferan lactone A
Peak:m/z	Relative Intensity
51.02392	1.6
55.01871	7.8
55.05506	4.1
56.96562	2.7
57.03426	3.7
57.07075	1.0
65.03940	12.1
65.58427	1.1
66.01368	1.1
67.05511	8.8
69.03428	2.2
69.06728	1.7
69.07069	22.7
69.30310	4.0
69.30726	4.9
71.04997	3.3
79.05492	10.6
81.03422	1.2
81.07052	6.2
89.03904	5.4
91.05465	4.8
93.03403	17.7
93.07040	2.5
95.04946	4.9
95.08588	5.6
97.02882	11.2
97.06530	84.9
98.97582	1.7
103.05469	1.4
105.07019	4.8
107.04939	3.3
107.08595	3.9
109.02880	3.0
109.10137	1.7
110.03646	2.3
111.04438	5.3
115.05460	5.1
117.03373	8.9
117.07029	3.2
119.04945	1.1
119.08559	4.7
121.02870	4.0
121.10141	2.1
123.04433	6.9
123.11680	1.3
128.06213	12.0
129.07004	50.2
131.04910	1.6
131.08582	3.2
133.02844	2.7
133.06433	1.9
133.10124	1.7
135.04440	13.8
135.11618	1.7
137.02335	15.3
137.03320	1.8
137.13223	1.1
139.03905	5.3
139.05417	9.9
141.06975	16.3
142.10228	1.3
143.04889	1.3
144.08078	5.1
145.02852	9.6
145.06487	3.0
147.04396	5.5
147.08051	5.2
149.02382	2.6
149.05890	1.5
155.04918	2.0
155.06065	1.6
157.06490	44.5
159.04419	6.9
159.08075	1.9
160.05205	4.8
161.02341	20.3
161.05934	2.4
163.03902	59.9
167.03413	3.1
167.04927	7.5
169.06474	10.3
170.03569	1.2
171.04387	1.4
173.01225	0.9
173.02344	41.3
173.05992	16.6
174.06749	11.0
175.03876	3.8
175.07547	67.0
177.05495	1.9
177.09109	1.8
183.04439	1.5
185.05977	60.3
187.07498	6.5
189.05467	3.1
191.03401	19.2
195.04337	2.4
197.05898	2.6
200.04781	1.6
201.05515	9.4
203.07040	36.1
213.05476	30.5
215.07022	63.4
217.04965	2.7
217.08629	1.3
231.06526	86.9
231.81831	1.1
233.08041	10.7
234.70239	1.1
235.09451	1.4
241.05011	3.1
241.08585	2.9
259.06058	13.6
259.09659	48.0
277.07080	100.0
277.10547	8.5
277.21558	1.9
277.25278	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.0707
Annotation	Corymbiferan lactone A
Peak:m/z	Relative Intensity
53.03939	1.2
55.01872	7.3
55.05503	3.8
56.96558	2.7
57.03426	3.4
57.07054	1.2
65.03949	9.1
67.05505	8.8
69.03420	3.5
69.06736	1.1
69.07073	15.4
69.22219	4.2
69.22649	4.2
70.06586	2.9
72.08167	4.6
73.02886	1.0
79.05502	12.2
81.03412	3.2
81.07050	3.7
83.04964	1.9
85.02879	1.3
89.03914	6.0
91.05473	4.1
93.03413	17.4
93.07030	3.4
95.04967	5.2
95.08578	3.5
97.02898	12.7
97.06533	81.4
98.20793	1.9
98.97588	2.6
103.05453	2.8
105.03358	1.5
105.07021	3.6
107.04943	3.2
107.08580	2.1
109.02878	3.5
109.06484	1.1
109.10147	2.1
110.03654	2.5
111.04433	3.8
115.05432	5.5
117.03383	8.7
117.07024	2.7
119.04953	2.2
119.08591	2.0
121.02882	5.9
121.10170	1.7
123.04439	7.0
128.06227	8.3
129.07007	45.0
131.04912	2.9
131.08553	2.6
133.02866	2.6
135.04410	12.1
137.02350	15.0
139.03932	5.4
139.05428	9.3
141.06995	14.1
143.04903	2.0
144.12935	1.0
145.02861	6.7
145.06482	2.8
147.04451	8.6
147.08034	5.5
149.02332	2.8
149.06035	2.0
151.03990	2.0
152.10693	1.3
155.04990	2.2
155.06096	2.0
157.06490	47.8
159.04419	5.9
159.08026	1.6
160.05205	3.5
161.02353	21.9
161.05995	5.2
162.09174	3.0
163.03911	55.8
165.28081	0.9
167.03401	5.3
167.04951	8.4
169.06470	10.5
170.03604	1.7
171.04384	2.1
173.02353	33.2
173.05968	14.7
174.06781	9.0
175.03967	6.8
175.07552	57.8
177.05475	2.1
185.05984	50.8
187.03876	1.3
187.07489	6.5
189.05482	5.8
191.03404	16.9
195.04474	3.6
197.06009	1.6
200.04669	1.9
201.05453	11.7
203.07048	37.0
204.13887	2.6
213.05470	25.9
215.07037	51.7
217.04974	2.2
231.06531	92.9
233.08061	10.1
235.09668	1.2
235.16957	1.7
241.04895	2.8
249.07567	5.4
259.06049	13.7
259.09662	43.5
260.16489	3.3
277.07077	100.0
277.10510	7.2
277.18652	3.6
277.21695	2.1
277.24789	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	277.0707
Annotation	Corymbiferan lactone A
Peak:m/z	Relative Intensity
53.03951	0.9
55.01879	5.6
55.05507	1.8
55.25574	0.7
56.96556	2.6
57.03424	1.9
58.53363	0.8
59.05011	0.8
60.69498	0.7
65.03939	9.8
67.05507	7.4
69.03414	3.8
69.07080	6.9
69.26733	5.1
71.04981	1.3
77.03929	1.0
79.05486	4.6
81.03403	2.5
81.07041	2.4
83.04987	2.1
85.02908	1.0
86.09700	1.9
89.03902	3.3
91.05483	4.0
91.63567	1.1
93.03404	16.8
93.07044	2.8
95.01296	0.9
95.04973	7.1
95.08562	1.4
96.04492	6.6
97.02301	1.2
97.02898	18.1
97.05927	1.3
97.06532	23.8
98.97581	3.6
103.05447	1.4
103.60379	0.9
105.04659	0.9
105.07031	4.7
107.04932	2.1
107.08563	1.9
109.02882	3.2
109.06496	0.9
109.10139	1.0
110.03654	1.5
111.04434	7.5
115.05462	4.8
116.98594	1.3
117.03353	3.8
117.07005	2.9
119.08583	2.6
121.02070	0.8
121.02858	5.0
121.10169	0.9
123.04420	5.4
125.09656	0.9
128.06218	9.7
129.07010	51.8
131.04950	3.0
131.08571	1.5
133.02850	1.6
133.06450	2.3
135.04405	4.9
135.11667	1.0
137.02347	16.3
137.03401	1.2
139.03914	12.6
139.05432	9.0
141.05983	1.4
141.06989	15.4
143.04950	1.2
144.08066	5.9
145.02843	3.4
145.06459	3.4
147.04408	9.2
147.08043	5.6
147.11642	1.0
149.02330	2.8
149.05945	1.0
155.04900	1.6
155.06059	2.3
157.06490	43.9
159.04408	4.4
160.05194	3.7
161.02348	10.2
161.05989	6.1
163.03900	27.2
164.04179	1.3
167.03397	4.6
167.04922	7.9
169.06479	11.6
171.04434	1.6
173.01213	1.0
173.02397	12.5
173.04623	1.4
173.05989	16.2
174.06781	9.2
175.03964	10.4
175.07547	59.2
176.08334	2.1
177.05537	1.1
179.44299	0.9
184.05151	1.0
185.05972	50.5
187.07565	6.0
189.05493	4.4
191.03413	1.7
193.04996	1.0
195.04376	2.4
195.08075	1.6
197.05971	3.5
200.04738	1.8
201.05473	9.0
203.05098	1.7
203.07028	34.8
207.10068	1.1
213.05486	29.0
215.07024	29.2
221.09695	1.6
231.06523	100.0
233.08022	1.5
235.09616	1.3
235.16896	1.2
241.04906	2.3
249.07474	1.5
259.06015	15.0
259.09656	8.4
277.07071	99.6
277.10461	4.9
277.15765	2.2
277.18863	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	277.0323
Annotation	Unknow
Peak:m/z	Relative Intensity
62.11911	1.4
70.64711	4.0
73.00947	1.4
82.99859	2.1
84.08150	1.9
88.59576	1.3
93.20423	1.6
93.73465	1.4
97.10907	1.4
101.00893	12.7
103.00632	2.1
106.65307	1.4
113.00864	2.7
115.02424	1.4
119.01939	13.1
121.01628	2.4
131.01907	4.3
133.03467	2.6
138.01604	2.3
138.05515	2.9
139.02361	2.3
139.05814	2.9
143.01878	6.3
145.03487	3.0
155.01932	2.4
156.02661	3.4
157.03470	8.7
161.02963	9.4
163.03947	3.3
166.01208	1.6
169.03461	2.9
171.03238	3.2
173.02962	3.9
175.04523	5.0
184.02170	2.2
185.02969	3.5
187.04578	1.9
189.04385	2.5
199.04457	3.4
201.06129	2.2
203.03862	1.4
217.05510	4.1
235.06613	11.5
253.07748	3.0
277.03357	13.1
277.07687	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.0321
Annotation	Unknow
Peak:m/z	Relative Intensity
57.15342	5.8
62.25352	6.1
71.05877	14.4
71.06226	6.9
99.39234	6.1
101.00874	14.8
113.00846	8.4
119.01907	11.9
138.05527	15.7
138.89426	6.9
139.05817	16.8
140.05948	11.5
147.97859	5.9
157.03456	11.7
235.06580	15.6
277.03238	56.4
277.07584	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.2008
Annotation	Dicranin
Peak:m/z	Relative Intensity
53.03943	1.5
53.31390	0.6
55.01866	2.8
55.05266	1.0
55.05514	12.4
56.96569	5.5
57.03441	1.4
57.07063	0.8
61.24856	0.6
65.03925	1.0
67.05508	15.9
69.03422	1.1
69.07070	11.2
70.76437	1.6
71.04991	1.8
79.05076	1.2
79.05500	17.3
80.38990	0.7
81.03408	1.1
81.07061	17.9
83.04971	2.4
83.08614	4.8
91.05489	29.9
93.06487	1.0
93.07053	15.0
95.04972	2.8
95.08617	11.7
97.06513	3.8
97.10158	2.6
98.97587	1.4
99.84625	0.7
103.05421	0.8
105.07037	43.8
107.04966	2.7
107.08598	12.5
109.06530	3.4
109.10167	6.3
111.04484	0.6
111.08126	1.5
111.11722	0.8
117.07022	7.3
119.08587	26.6
121.06498	2.7
121.10146	5.8
123.08084	2.1
123.11699	1.6
125.09680	1.1
129.07018	1.5
131.08583	10.0
133.06517	1.4
133.10141	29.7
135.08054	3.1
135.11717	3.3
137.09631	2.0
139.03915	7.6
141.06955	1.5
143.08513	1.8
145.10143	12.3
147.08035	0.8
147.11705	16.1
149.09650	6.3
149.13266	1.5
150.03160	7.8
150.67479	0.7
151.03450	1.0
151.11186	2.7
155.08601	1.3
157.10126	2.4
159.08028	0.9
159.11708	6.5
160.05200	0.9
160.99147	1.5
161.09628	1.6
161.13263	4.2
163.11201	4.5
165.12730	1.0
169.10143	2.0
170.99580	0.8
171.11746	2.6
173.13220	4.0
173.52013	0.9
174.02335	0.6
175.11218	1.2
175.14806	1.2
177.12766	1.4
178.98860	0.6
179.00142	3.2
179.10791	0.8
182.02332	0.9
182.52719	1.1
182.99640	1.3
183.03131	0.9
183.11720	1.6
184.18361	0.6
187.11290	1.3
187.14799	0.8
189.12796	0.7
191.14359	0.8
197.01218	4.0
197.13300	2.1
199.14766	0.9
201.00688	1.6
201.09132	2.2
201.12592	0.8
202.09811	0.9
205.12245	0.8
211.47327	0.7
213.00636	0.8
213.04932	2.4
213.55165	0.8
215.02138	0.8
215.14282	1.1
215.17860	1.3
222.05424	9.0
222.55629	3.8
223.99944	1.0
224.02150	0.7
229.19510	3.8
231.06017	5.3
231.08844	1.8
231.56128	1.9
233.15337	1.1
233.56235	2.2
238.03088	0.7
239.17926	5.4
240.06456	0.9
242.01050	1.2
242.56827	1.1
247.20560	1.8
257.19025	9.2
275.20078	100.0
276.06744	0.8
287.06149	0.9
291.03955	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.2006
Annotation	(Z)-Octadec-12-ene-8,10-diynoic acid
Peak:m/z	Relative Intensity
51.01535	0.5
53.03934	0.9
55.01860	1.7
55.05513	11.5
56.96565	0.7
57.03434	0.9
57.07061	1.4
65.03936	0.8
67.05505	12.7
69.03418	0.7
69.06718	0.8
69.07065	8.2
69.14449	0.5
69.83228	2.3
70.06579	0.7
71.04987	1.7
71.93250	0.5
79.05495	15.3
81.03410	0.7
81.06586	0.9
81.07055	14.5
83.04970	1.9
83.08627	4.3
85.06545	1.4
88.07608	1.0
91.05481	37.0
93.07047	11.7
93.80449	0.5
95.04954	1.9
95.08606	9.7
97.06518	1.9
97.10164	1.8
97.73164	0.4
103.05453	1.4
105.07030	52.5
107.04928	1.7
107.08578	9.6
109.06505	1.5
109.10155	3.6
111.08087	1.4
111.99974	2.9
115.05396	0.7
116.06213	0.6
117.07009	8.8
119.08585	28.8
121.00483	3.1
121.06496	2.0
121.10149	4.6
123.08062	1.4
123.11694	1.4
125.09682	0.8
129.06992	2.8
131.08569	12.4
132.51190	0.5
133.06476	0.7
133.10132	34.7
134.01234	0.6
135.08020	1.4
135.11661	2.4
137.09695	1.2
141.06993	0.9
143.01790	1.4
143.08539	2.3
145.10120	14.8
146.10976	0.6
147.08118	1.1
147.11685	18.7
149.09595	4.7
151.11151	0.6
155.08546	1.4
157.10106	2.4
159.11685	7.1
161.09615	1.1
161.13263	4.4
163.00461	1.1
163.11157	1.7
167.99651	2.0
169.10089	1.5
171.11687	3.1
173.13264	4.1
175.11185	1.3
175.14832	0.6
177.00233	2.4
177.12686	0.9
179.10703	0.7
183.11708	2.3
185.13197	1.0
187.11250	1.0
187.14856	0.7
197.13280	2.0
201.12683	1.2
205.12369	0.6
208.02023	2.0
211.14786	0.9
215.14264	0.8
215.18176	0.7
217.02460	2.6
219.13736	0.7
229.19510	2.2
239.17912	3.1
247.20540	1.1
252.04645	4.8
257.19016	9.4
257.26666	0.7
261.05173	1.2
263.55585	0.7
275.20056	100.0
275.27747	12.2
276.20435	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.2007
Annotation	(Z)-Octadec-12-ene-8,10-diynoic acid
Peak:m/z	Relative Intensity
51.19706	0.5
52.56934	0.5
52.99127	0.5
53.03942	1.1
55.01861	2.2
55.05264	0.9
55.05509	10.4
56.96561	0.8
57.03421	1.3
57.07067	2.0
58.07410	0.7
59.12712	0.5
62.42140	0.5
65.03933	0.9
67.05177	0.9
67.05505	12.4
69.07072	8.0
69.83716	0.5
69.84013	2.8
70.06593	2.8
70.83823	0.7
71.04984	1.4
71.06918	0.5
71.08630	0.9
77.03915	0.6
79.05494	15.4
80.87083	0.5
81.07058	13.7
83.04964	2.2
83.08624	4.1
84.59047	0.6
88.07644	3.8
89.07979	1.4
91.05483	24.5
91.57766	0.7
93.06476	1.0
93.07043	13.6
95.04958	3.1
95.08611	9.6
97.06505	2.5
97.10143	2.1
102.09159	0.9
103.05460	1.3
105.07033	43.5
106.08656	1.6
107.04977	2.7
107.08582	11.0
109.06509	2.2
109.10158	4.5
115.05425	0.9
117.06999	6.9
119.08585	23.8
121.06503	1.8
121.10133	6.7
123.08055	1.4
123.11730	1.4
125.09624	2.0
129.06981	1.6
130.07722	0.6
131.08574	11.1
133.06479	0.8
133.10133	28.5
135.08046	2.2
135.11710	3.1
137.09572	1.4
139.11313	0.6
142.07744	0.8
143.08554	2.4
145.10123	14.1
147.07983	1.3
147.11691	20.5
149.09616	5.5
149.13226	0.7
151.11179	0.8
153.81990	0.6
155.08543	1.3
157.10135	2.7
159.11708	7.6
160.12320	0.6
161.09676	1.3
161.13248	4.4
163.00752	0.6
163.11166	3.3
169.10115	1.3
171.11694	2.2
173.13274	4.0
175.11220	0.8
175.14874	0.9
177.12766	1.6
179.10718	0.6
183.11723	2.3
183.56078	0.6
185.13309	0.8
187.11145	0.9
193.12305	0.9
197.13258	1.8
199.14954	0.7
201.12747	0.7
213.16228	0.7
215.14388	0.8
229.15765	0.8
229.19516	2.2
233.15425	1.0
239.17982	4.1
247.20560	1.7
257.18967	10.7
257.26691	2.0
275.20065	100.0
275.27750	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	275.2006
Annotation	(Z)-Octadec-12-ene-8,10-diynoic acid
Peak:m/z	Relative Intensity
51.26392	0.6
53.03927	2.2
53.29184	0.5
55.01867	9.9
55.05509	15.0
57.03421	1.9
57.07061	1.0
65.03934	1.3
67.05504	21.3
69.03413	1.2
69.06738	1.0
69.07072	12.5
69.21333	2.6
69.21763	2.5
71.04975	2.1
71.08603	0.7
79.05491	23.4
81.03399	2.6
81.07059	33.3
83.04997	2.8
83.08612	5.8
85.06512	1.4
88.07668	0.7
91.05481	44.4
93.07041	22.2
95.01312	1.7
95.04964	3.4
95.08609	13.8
97.06532	16.5
97.10159	2.7
103.05466	1.8
105.07030	69.0
107.04954	8.7
107.08594	12.6
109.06496	3.5
109.10152	6.1
111.08078	1.5
115.05421	1.5
117.07006	10.9
118.89844	0.6
119.04967	0.6
119.08580	36.3
121.06498	2.0
121.10138	7.0
123.08047	1.9
123.11696	2.2
125.09623	2.7
129.07004	1.4
130.07726	0.7
131.08565	17.0
132.09363	0.7
133.10132	44.8
134.79164	0.5
135.08054	4.2
135.11705	3.7
137.09622	1.4
139.07526	0.8
141.06956	0.7
143.08525	2.3
145.06409	0.7
145.09125	0.5
145.10114	13.4
147.11688	19.4
149.09621	10.1
149.13245	1.2
151.11157	2.2
151.59596	0.6
153.09016	0.7
155.08574	1.3
156.97331	0.7
157.10132	4.0
159.11690	8.6
161.09605	1.3
161.13277	3.9
163.11182	2.2
165.09093	1.9
165.12770	0.8
169.10101	1.5
171.11665	2.4
173.11864	0.9
173.13226	4.2
175.11189	1.6
175.14833	1.0
177.12769	1.3
179.14307	1.4
183.11697	2.2
185.13168	0.9
187.11217	1.1
187.14853	1.3
189.12668	0.8
195.13724	0.9
197.13239	1.9
199.14864	0.7
203.14337	0.9
213.00111	0.9
215.14326	0.8
215.17944	1.4
219.13815	0.6
219.17427	5.4
227.52330	0.7
229.19456	1.6
233.15358	0.9
239.17909	2.3
247.20581	2.4
257.19000	10.4
259.29193	0.7
275.20053	100.0
275.27707	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	275.2007
Annotation	(Z)-Octadec-12-ene-8,10-diynoic acid
Peak:m/z	Relative Intensity
53.03937	1.3
55.01870	3.2
55.05513	12.2
56.96536	0.4
57.03425	1.0
57.07058	1.6
65.03928	0.8
67.05507	17.8
69.03393	0.8
69.07066	8.7
69.93059	2.1
70.06595	0.8
71.04980	1.5
79.05494	19.6
81.03410	1.0
81.07060	19.5
81.33350	0.4
83.04998	3.4
83.08617	6.3
85.06525	1.3
85.44449	0.4
88.07619	0.7
91.05482	30.3
93.07043	21.4
93.07639	1.0
95.04974	3.0
95.08610	13.5
97.06521	4.0
97.10172	3.5
99.08102	0.7
103.05459	1.8
105.07033	43.3
106.08646	0.8
107.04964	2.6
107.08597	16.9
108.53796	0.4
109.06541	3.2
109.10152	6.1
111.08078	2.1
115.05444	0.7
116.06234	0.6
117.07016	9.2
118.07793	0.5
119.08585	30.1
121.00510	0.6
121.06504	4.1
121.10154	9.3
123.08083	3.1
123.11698	1.5
125.09616	2.1
129.07002	2.9
130.07779	0.7
131.08569	13.0
133.06520	2.5
133.10133	30.5
135.08051	5.5
135.11682	4.8
137.09584	3.2
139.11182	0.9
141.06947	1.4
142.07787	0.5
143.08598	2.7
145.10126	17.9
147.08034	1.8
147.11688	13.8
149.09621	15.0
149.13232	1.5
151.11191	3.0
155.08508	1.5
157.10097	2.8
159.08069	0.7
159.11682	8.4
161.09631	2.0
161.13272	4.4
163.11205	8.5
165.09088	0.5
165.12686	2.3
167.10704	0.6
169.10147	2.9
171.11725	2.9
173.09599	1.0
173.13254	5.3
175.11156	3.3
175.14813	1.3
177.12732	2.9
183.11642	2.4
185.13260	2.0
187.11203	1.4
187.14824	0.7
189.12747	1.0
191.14268	2.0
193.12251	0.6
197.13261	2.6
199.14615	0.6
201.12787	1.0
201.16437	0.5
211.14799	1.4
213.16350	1.7
215.14319	1.4
215.17973	2.3
229.15950	0.7
229.19499	5.0
231.03311	0.5
239.17958	11.4
247.20633	1.7
257.19016	16.0
275.20062	100.0
275.27737	10.1
275.82190	0.5
276.20490	0.8
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	(Z)-Octadec-12-ene-8,10-diynoic acid
Peak:m/z	Relative Intensity
53.03933	1.6
55.01860	2.6
55.05267	0.8
55.05508	11.6
57.03428	2.9
57.07063	0.9
61.97461	0.7
62.82598	0.6
67.05506	18.7
69.03416	1.1
69.07075	9.6
70.28969	2.5
71.04982	2.9
77.03913	0.7
79.05491	19.4
80.32562	0.7
81.03386	1.2
81.06593	1.5
81.07057	26.5
83.04971	3.0
83.08622	4.4
85.06530	2.3
91.05480	30.3
93.06478	1.3
93.07042	20.8
95.04954	3.0
95.08608	13.5
97.06510	2.2
97.10151	1.6
99.08104	0.7
103.05479	1.4
105.07027	40.4
107.04965	4.2
107.08600	13.6
109.06511	7.4
109.10159	6.2
111.08063	2.1
117.07022	9.8
119.08581	32.3
121.06487	3.6
121.10138	9.1
123.08096	5.3
123.11732	1.2
125.09631	1.0
129.06996	2.4
131.08565	13.4
133.06442	1.3
133.10127	29.1
135.08043	6.7
135.11679	5.1
137.09579	2.9
139.11192	1.5
141.07030	0.9
142.07750	0.9
143.08553	3.2
145.10120	12.6
147.08090	1.1
147.11694	16.8
149.09621	6.5
149.13222	1.8
151.11177	1.1
155.08511	1.9
155.14955	0.9
157.10106	4.7
159.08018	1.0
159.11694	11.4
161.09583	1.4
161.13277	3.7
163.11165	4.0
163.14780	0.9
165.12750	1.1
169.10124	1.8
171.11726	4.5
173.09628	1.1
173.13290	9.0
175.11234	2.3
175.14804	2.2
177.12721	2.2
179.10658	1.1
183.11687	2.7
185.13248	2.0
187.11156	0.8
187.14787	1.4
191.14278	1.2
193.12119	0.9
197.13300	3.7
199.14854	1.8
201.12743	2.0
201.16431	1.2
203.14278	2.2
213.16348	1.1
215.14349	1.7
215.17856	1.0
219.13910	0.8
219.17387	1.2
229.19527	2.4
233.18958	0.9
239.18011	4.7
247.20717	3.4
257.19025	10.4
275.20062	100.0
275.27759	4.0
289.41553	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.2007
Annotation	Unknow
Peak:m/z	Relative Intensity
51.19706	0.5
52.56934	0.5
52.99127	0.5
53.03942	1.1
55.01861	2.2
55.05264	0.9
55.05509	10.4
56.96561	0.8
57.03421	1.3
57.07067	2.0
58.07410	0.7
59.12712	0.5
62.42140	0.5
65.03933	0.9
67.05177	0.9
67.05505	12.4
69.07072	8.0
69.83716	0.5
69.84013	2.8
70.06593	2.8
70.83823	0.7
71.04984	1.4
71.06918	0.5
71.08630	0.9
77.03915	0.6
79.05494	15.4
80.87083	0.5
81.07058	13.7
83.04964	2.2
83.08624	4.1
84.59047	0.6
88.07644	3.8
89.07979	1.4
91.05483	24.5
91.57766	0.7
93.06476	1.0
93.07043	13.6
95.04958	3.1
95.08611	9.6
97.06505	2.5
97.10143	2.1
102.09159	0.9
103.05460	1.3
105.07033	43.5
106.08656	1.6
107.04977	2.7
107.08582	11.0
109.06509	2.2
109.10158	4.5
115.05425	0.9
117.06999	6.9
119.08585	23.8
121.06503	1.8
121.10133	6.7
123.08055	1.4
123.11730	1.4
125.09624	2.0
129.06981	1.6
130.07722	0.6
131.08574	11.1
133.06479	0.8
133.10133	28.5
135.08046	2.2
135.11710	3.1
137.09572	1.4
139.11313	0.6
142.07744	0.8
143.08554	2.4
145.10123	14.1
147.07983	1.3
147.11691	20.5
149.09616	5.5
149.13226	0.7
151.11179	0.8
153.81990	0.6
155.08543	1.3
157.10135	2.7
159.11708	7.6
160.12320	0.6
161.09676	1.3
161.13248	4.4
163.00752	0.6
163.11166	3.3
169.10115	1.3
171.11694	2.2
173.13274	4.0
175.11220	0.8
175.14874	0.9
177.12766	1.6
179.10718	0.6
183.11723	2.3
183.56078	0.6
185.13309	0.8
187.11145	0.9
193.12305	0.9
197.13258	1.8
199.14954	0.7
201.12747	0.7
213.16228	0.7
215.14388	0.8
229.15765	0.8
229.19516	2.2
233.15425	1.0
239.17982	4.1
247.20560	1.7
257.18967	10.7
257.26691	2.0
275.20065	100.0
275.27750	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	275.2008
Annotation	(Z)-Octadec-12-ene-8,10-diynoic acid
Peak:m/z	Relative Intensity
51.02375	0.5
53.03940	1.3
55.01875	2.1
55.05516	10.2
56.96561	0.7
57.03426	0.9
57.07069	0.8
65.03931	0.7
67.05508	14.0
69.03427	1.2
69.07073	8.2
70.06583	0.3
71.05007	1.8
73.06595	0.4
75.00896	0.3
79.05498	14.4
79.12315	0.4
81.03407	0.6
81.07059	15.2
83.04978	1.7
83.08619	3.9
85.06549	0.9
88.07645	0.5
91.05486	31.8
93.07048	16.1
93.07640	0.9
95.04972	2.8
95.08611	10.0
97.06534	2.3
97.10178	1.9
99.08081	0.4
101.05969	0.4
103.05470	1.0
105.07036	44.3
107.04961	2.0
107.08601	12.0
109.06522	1.7
109.10157	4.4
111.08042	0.8
113.09608	0.4
115.05466	0.4
116.06375	0.5
117.07014	8.0
119.08588	28.9
121.06509	3.2
121.09335	0.6
121.10152	5.7
123.08061	1.5
123.11696	1.2
125.09652	1.1
128.06212	0.4
129.07054	2.1
130.07721	0.6
131.08571	12.3
132.09364	0.6
133.06499	0.8
133.10138	27.3
135.08051	3.0
135.11661	3.1
137.09663	1.3
139.11162	0.5
141.06934	0.8
143.08533	2.3
145.10126	11.7
146.10893	0.8
147.08054	0.6
147.11691	18.0
148.08842	0.5
149.09633	6.3
149.13281	0.6
151.11133	0.9
155.08546	1.0
157.10181	2.2
159.08086	1.0
159.11693	7.5
161.09624	1.4
161.13235	4.3
162.18558	0.4
163.11171	3.0
165.09119	0.8
169.10159	1.6
171.11671	2.4
173.09595	0.6
173.13278	4.5
175.11195	1.4
175.14781	1.0
177.12698	1.1
179.10638	0.5
183.11679	2.1
185.13213	0.9
187.11180	1.1
187.14763	0.9
189.12801	0.7
193.12247	0.5
197.13190	1.6
199.14864	1.0
201.12766	0.8
205.12198	0.5
211.14784	0.7
213.16428	0.5
215.14523	0.5
215.17972	1.0
219.13826	0.9
229.15990	0.9
229.19540	2.2
233.15430	0.9
233.19063	0.7
239.17995	2.9
247.20589	2.0
257.15335	0.4
257.16031	0.4
257.19009	7.5
275.20068	100.0
276.20630	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	274.274
Annotation	Hexadecasphinganine
Peak:m/z	Relative Intensity
56.22372	0.2
57.06794	0.3
57.07077	6.5
58.06592	0.5
62.06069	0.3
70.06596	10.3
70.79980	0.5
70.80299	0.3
71.08633	2.5
73.10963	0.2
80.63972	0.2
85.10170	1.1
88.07635	14.5
102.09188	4.3
106.08675	7.3
108.02661	0.2
118.62152	0.3
208.98830	0.2
209.12897	0.3
210.91438	0.3
212.23715	0.6
230.24776	0.9
256.23822	0.5
256.26382	6.3
260.67303	0.3
274.27402	100.0
275.27783	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.1026
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03973	0.2
61.21753	0.2
70.01318	0.9
73.02892	0.2
85.02906	0.7
92.05004	1.0
94.06570	14.6
97.02895	0.3
101.00877	1.0
110.06053	1.1
119.01929	0.8
127.02352	0.5
127.03928	0.3
138.05499	100.0
139.05832	0.3
145.01640	0.3
145.03487	0.7
152.07071	2.6
157.03511	0.3
169.03464	1.1
173.03021	0.5
185.02931	0.5
185.05771	0.3
187.04550	1.0
187.12323	0.9
229.05577	0.6
266.07922	0.4
267.07553	0.4
275.06082	1.6
289.19833	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.1104
Annotation	Unknow
Peak:m/z	Relative Intensity
55.13134	0.6
56.96556	3.8
57.04906	0.6
58.65785	0.7
67.42298	0.7
70.06599	1.9
71.51791	0.9
72.08152	3.1
75.66129	0.7
79.05500	1.1
91.05486	1.5
95.08649	0.8
96.22335	0.8
97.02901	0.9
97.20731	0.8
98.97581	2.0
105.06997	1.1
107.04920	0.9
107.08598	1.2
116.98602	1.0
119.01913	2.1
119.08585	1.1
131.08485	0.8
131.96716	25.3
135.04416	0.9
139.03839	1.2
152.98634	1.1
163.03911	2.4
169.03418	1.7
170.99640	1.1
172.05077	0.9
185.02924	0.8
187.04614	1.4
187.07477	1.6
189.00720	0.7
189.59268	0.7
201.00916	1.0
203.02289	1.0
210.99168	1.5
215.03947	0.9
215.07095	1.6
217.10521	6.7
229.00194	5.2
229.05110	1.4
247.01357	1.1
257.08118	2.4
263.05017	1.2
275.03702	3.4
275.06082	3.0
275.11032	100.0
275.27817	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.2577
Annotation	Trixagoene
Peak:m/z	Relative Intensity
53.03935	3.0
55.05510	15.1
57.07062	9.6
65.03915	2.8
67.05511	26.6
69.07076	37.0
69.36027	3.2
69.36427	17.3
71.08624	2.5
73.94537	2.2
79.05513	13.2
81.06599	4.1
81.07059	72.7
83.08611	13.6
91.05478	10.9
93.07044	37.5
95.08610	68.5
97.10156	7.5
105.06458	2.6
105.07040	20.7
107.08594	46.7
109.09485	3.5
109.10167	60.5
111.11692	4.9
119.08566	23.5
121.09321	4.3
121.10149	50.8
123.11703	43.6
125.13293	2.6
131.08536	2.8
133.10153	16.9
135.11674	26.4
137.13293	14.9
147.11694	15.7
149.13263	50.1
151.14825	7.0
161.13263	29.1
163.14845	26.8
165.16444	4.6
175.14821	12.6
177.16431	18.5
189.16393	18.9
191.17955	10.4
201.26491	2.3
203.17920	18.2
217.19498	28.4
231.21025	2.8
267.59329	2.2
273.25769	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	273.1849
Annotation	Octadeca-8,10,12-triynoic acid
Peak:m/z	Relative Intensity
53.03919	1.3
55.05514	9.7
56.96564	1.9
57.07063	4.8
65.03957	1.3
67.05505	13.3
69.03419	3.7
69.06723	1.4
69.07065	13.9
71.05003	3.0
71.52705	1.5
77.78187	1.0
79.05489	9.5
79.30643	1.1
81.03416	1.5
81.07056	19.7
83.04630	1.0
83.04980	10.4
83.08610	6.3
85.02917	1.5
85.06572	2.6
88.04018	1.3
91.05481	12.5
93.07053	17.9
93.74683	1.1
95.04980	3.2
95.08608	19.6
97.02879	3.5
97.06506	1.6
97.10146	1.7
98.97586	11.5
105.06304	1.7
105.07028	29.4
107.08596	17.6
109.06533	17.3
109.10143	12.5
111.04443	2.8
111.08080	2.9
115.05441	2.1
116.06254	1.3
116.98647	3.3
117.07026	6.6
117.59984	1.6
119.04945	3.1
119.08589	24.5
121.06512	2.1
121.10127	17.9
123.04379	1.9
123.08062	3.6
123.11708	3.9
125.09561	1.3
127.03889	1.8
128.06210	2.7
129.07013	7.0
130.02307	1.2
130.07733	1.9
131.08588	12.6
133.06496	10.3
133.10146	12.7
135.08035	7.9
135.11685	6.8
137.09621	2.2
137.13235	1.8
141.06998	4.1
142.07819	6.7
143.08557	16.8
144.09351	2.8
145.10129	18.8
147.04370	6.7
147.08046	4.8
147.11705	12.8
149.09616	6.9
149.13232	4.6
153.01828	16.4
153.07021	2.0
154.07872	1.5
155.08562	9.4
156.09355	10.7
157.10133	20.0
158.07166	1.3
158.99667	5.6
159.08089	3.4
159.11658	8.2
161.09631	4.3
161.13243	4.7
163.14819	2.9
165.07036	2.2
167.08548	3.8
167.10687	1.8
168.09525	1.8
169.10135	17.1
170.10887	4.3
171.08214	1.7
171.11696	24.1
172.12459	1.5
173.09642	16.1
173.13210	7.2
174.10379	1.5
175.11169	6.7
175.14789	1.2
177.00642	2.0
177.16429	2.7
179.08528	1.5
180.09425	1.3
181.10126	6.6
182.10925	8.1
183.08257	1.6
183.11684	8.8
184.12434	1.4
185.09647	2.8
185.13254	8.1
187.11182	2.1
187.14841	5.6
189.05470	5.6
189.12706	12.8
189.16406	1.8
191.17976	2.3
194.10851	2.0
195.11690	7.6
196.12506	3.8
197.13252	30.8
198.14024	4.9
199.11185	12.5
203.17868	2.1
207.11702	4.4
208.12520	2.1
209.13229	2.5
211.14827	11.7
212.15532	10.7
213.12927	3.3
213.16357	20.2
214.13559	2.3
215.14336	9.5
217.12271	2.9
217.19534	1.8
222.14101	3.6
225.12813	4.8
227.14389	8.2
227.17807	2.5
229.15855	8.2
230.16786	1.6
231.17445	3.7
237.16330	7.0
240.15115	5.2
255.17433	52.6
273.04285	2.3
273.07574	16.2
273.18497	100.0
273.25665	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	273.1849
Annotation	Octadeca-8,10,12-triynoic acid
Peak:m/z	Relative Intensity
53.03937	1.1
55.01873	1.1
55.05513	6.1
55.27042	0.9
55.54691	0.9
56.96564	1.4
57.02331	0.8
57.03423	1.8
57.07051	1.5
59.04990	1.0
60.57136	0.8
63.92381	1.0
65.30233	0.9
67.05504	11.2
69.03435	2.0
69.07074	6.2
70.51907	1.6
70.52233	1.3
71.04996	4.4
79.05488	7.4
81.07047	9.2
83.04984	4.3
83.08617	2.8
85.02898	1.2
85.06532	3.9
91.05482	12.2
93.07036	9.6
95.04376	1.5
95.04971	27.8
95.08171	0.8
95.08620	10.1
95.55899	0.9
97.06519	3.4
98.21653	0.9
99.08083	2.7
103.05440	1.0
105.07043	21.7
107.04901	1.4
107.08601	12.5
109.06520	28.9
109.07267	1.6
109.10172	7.4
111.08072	4.8
116.06274	1.1
117.07027	9.5
119.08586	24.2
121.06519	1.7
121.10143	8.0
123.08070	16.9
123.11650	2.3
125.09652	1.7
128.06198	1.4
129.07007	5.2
130.07794	3.3
131.08578	20.3
133.06497	1.9
133.10123	12.7
135.08060	8.0
135.11690	3.2
137.09615	9.0
141.06979	1.8
142.07785	5.4
143.08568	12.7
144.09303	4.1
145.10120	36.5
147.08069	7.4
147.11685	16.1
149.09596	3.6
149.13277	1.1
151.07486	2.0
151.11177	3.9
155.08560	4.9
156.09337	9.1
157.10127	24.7
158.10913	2.7
159.08041	3.9
159.11700	16.1
161.09610	8.3
161.13203	4.2
163.11237	5.1
165.06972	1.2
167.08592	2.0
169.10103	4.5
170.10925	3.1
171.11699	22.2
172.12482	2.3
173.09625	8.2
173.13268	23.1
174.10422	2.4
175.11194	9.4
177.12767	2.6
179.10666	1.7
180.09451	1.0
181.10141	3.1
182.10916	3.3
183.11679	3.9
185.09621	2.0
185.13266	9.0
187.11195	13.7
187.14758	6.0
189.12737	14.1
189.16411	1.2
191.14381	1.6
193.10176	1.2
195.11607	5.2
196.12437	1.5
197.13255	13.8
198.14009	1.3
199.11148	8.5
199.14868	1.9
200.11958	2.1
201.12726	3.5
203.14349	4.9
207.11621	2.0
211.14772	4.7
212.15602	2.8
213.12859	4.8
213.16336	11.9
215.14314	33.7
217.12231	7.8
222.14026	1.5
225.12677	1.6
227.18004	3.2
229.15840	3.0
231.13860	2.2
231.17424	13.2
237.16400	3.8
240.15227	1.3
243.13831	1.1
245.19005	2.7
255.17477	26.6
273.18497	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.1849
Annotation	Octadeca-8,10,12-triynoic acid
Peak:m/z	Relative Intensity
53.03930	1.1
55.01873	2.6
55.05512	7.6
56.96548	1.2
57.03439	1.1
57.07058	0.9
58.38271	0.4
65.03948	0.8
67.05505	9.7
69.03414	1.4
69.07066	5.2
69.34457	1.0
69.34853	3.3
71.04968	1.4
71.52520	0.4
79.05491	8.7
81.03397	0.8
81.07060	8.4
83.04979	1.4
83.08625	2.3
85.06526	0.7
90.00086	0.4
91.05483	17.6
93.07037	6.5
95.04956	2.2
95.08609	6.9
97.06512	1.0
97.10163	1.1
98.20721	0.8
99.08122	0.5
103.05485	0.9
105.03431	0.8
105.04549	0.4
105.07037	16.2
107.04971	2.7
107.08589	5.3
109.06541	1.4
109.10151	2.8
111.08073	1.1
115.05457	1.6
116.06229	1.4
117.06226	0.9
117.07021	12.3
119.04970	1.2
119.08583	15.2
121.06492	2.4
121.10140	3.3
123.08054	1.9
125.09648	1.3
128.06209	2.8
129.07002	7.6
130.07802	2.4
131.04945	0.8
131.08568	29.4
133.06485	2.8
133.10143	4.8
135.08047	2.7
135.11719	0.9
137.09612	1.4
141.06952	0.6
142.07767	1.6
143.08559	9.3
144.09335	0.9
145.06485	1.9
145.10123	19.5
147.08047	11.5
147.11662	2.4
149.09627	2.0
155.08546	1.5
156.09326	0.7
157.10120	7.6
159.08080	3.7
159.11702	6.3
161.09641	6.9
161.13269	0.7
163.11247	1.0
165.07112	0.5
167.08484	0.7
169.10138	1.6
171.08069	0.6
171.11716	4.2
173.09645	2.5
173.11894	0.5
173.13283	1.8
175.11160	5.1
177.09116	0.8
181.10120	1.4
185.09615	1.4
185.13277	1.6
187.11182	1.3
189.12769	1.1
195.11714	1.5
199.11148	2.2
199.14818	0.7
203.10643	0.9
203.14435	0.6
205.12323	0.6
209.13197	0.6
209.64670	0.5
211.14760	0.6
213.12640	0.6
213.16307	1.1
217.12254	0.8
217.64529	0.5
218.65279	0.9
227.17953	2.4
231.17589	1.0
237.16351	3.5
240.64716	1.7
245.19139	2.3
249.65327	0.5
252.15486	1.2
255.17459	9.8
273.18500	100.0
273.29779	1.3
274.27692	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.0759
Annotation	Naringenin chalcone
Peak:m/z	Relative Intensity
52.39079	0.7
52.81913	0.7
53.03958	1.1
55.01875	1.6
55.05511	1.3
56.96572	2.4
57.03450	1.9
58.84113	0.7
63.06315	0.8
65.03972	1.1
67.01865	1.5
67.05511	1.4
67.83366	0.7
68.99797	5.6
69.03440	1.1
69.07069	0.9
70.76458	1.3
70.98119	0.8
79.05495	1.9
81.07063	2.8
83.04989	1.0
86.09692	1.0
91.05492	16.4
91.06020	0.6
93.07066	1.9
95.04975	1.2
95.08607	1.2
97.02908	3.3
98.97586	1.7
103.05483	4.2
105.03389	3.6
105.07035	2.5
107.08588	1.5
109.10136	0.9
111.00813	1.0
111.04456	0.8
115.05489	1.7
119.04939	1.9
119.08577	1.4
121.02886	7.5
121.06478	0.9
121.10176	1.2
123.04416	1.5
123.11778	0.8
127.03944	1.0
128.06248	1.8
129.07068	3.5
131.04889	1.5
131.08559	6.7
133.02853	1.1
133.10123	1.0
139.03949	1.0
143.08543	2.4
145.10095	2.3
147.04410	3.0
149.02353	57.5
152.06233	2.0
153.01839	100.0
153.06996	12.7
157.06519	1.7
159.11760	1.0
160.54703	0.6
161.05984	1.0
165.07289	1.4
167.03441	1.7
171.02986	1.5
171.04366	1.1
171.08069	2.5
171.11774	1.1
173.75122	0.7
174.03088	1.1
181.06500	7.7
184.05223	1.8
185.06021	2.3
185.13324	0.9
189.05479	14.5
193.08777	2.0
195.50612	0.8
197.06061	1.3
199.07552	98.4
209.05910	0.8
213.05525	1.4
226.06253	1.9
227.07042	81.0
240.61792	1.6
245.08008	1.3
249.62199	2.5
255.06534	27.6
255.21147	2.0
267.65991	0.8
273.04080	3.7
273.07559	31.6
273.12033	1.2
273.18527	2.3
273.22089	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	273.0758
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	0.7
56.96571	1.0
59.05000	0.4
65.03945	0.9
67.01868	3.0
67.05505	1.0
68.99780	2.2
69.03429	2.6
69.07060	0.4
69.20214	3.3
69.20624	0.7
70.71155	0.4
79.01888	0.5
79.05493	0.6
81.03413	0.7
81.07059	1.1
83.04980	1.0
85.02915	1.2
85.06568	0.5
91.05495	6.1
93.07046	1.1
95.04975	2.5
95.05511	0.4
95.08623	0.8
97.02910	1.4
98.20661	0.5
98.97594	1.5
99.00822	0.6
105.03398	1.2
105.07039	0.7
107.04972	2.5
107.08561	0.7
109.10201	0.7
111.00837	0.6
111.04442	0.6
115.05460	0.9
119.04946	16.6
119.08543	0.4
121.02877	0.7
121.06520	1.3
121.10165	0.5
123.04433	5.5
126.09203	0.4
126.10127	0.5
129.07007	0.7
130.06540	1.7
131.08586	0.5
132.08092	2.7
132.44106	0.4
142.06494	0.8
145.06483	0.7
145.10172	0.5
147.04417	43.3
149.02368	2.0
151.03922	1.3
152.06230	0.4
153.01836	100.0
153.06944	1.1
157.07657	0.4
157.10046	0.4
159.07977	0.8
159.09184	7.8
159.11806	0.5
160.07596	0.4
161.05975	0.6
163.03973	0.6
167.08643	0.7
169.07613	2.4
169.10161	0.5
170.06023	2.9
171.02946	3.8
171.04326	0.7
173.05978	0.5
179.03394	1.3
181.06464	1.6
183.04361	0.6
183.09264	0.8
184.07538	0.9
185.07150	4.4
187.08672	1.7
189.05510	2.1
195.08089	1.3
197.05997	0.5
200.07074	1.1
201.05479	4.0
201.10365	0.8
206.59753	0.5
207.06863	0.4
211.11087	0.4
213.05447	1.2
213.09174	0.7
223.07532	1.5
226.06349	0.4
227.08287	3.5
231.06712	0.6
241.05101	0.7
241.08591	1.9
243.10268	2.4
245.09375	6.8
255.06755	2.4
255.17236	0.5
273.04083	9.2
273.07562	95.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.0758
Annotation	(plusmn)-Naringenin
Peak:m/z	Relative Intensity
55.05505	0.7
56.96571	1.0
59.05000	0.4
65.03945	0.9
67.01868	3.0
67.05505	1.0
68.99780	2.2
69.03429	2.6
69.07060	0.4
69.20214	3.3
69.20624	0.7
70.71155	0.4
79.01888	0.5
79.05493	0.6
81.03413	0.7
81.07059	1.1
83.04980	1.0
85.02915	1.2
85.06568	0.5
91.05495	6.1
93.07046	1.1
95.04975	2.5
95.05511	0.4
95.08623	0.8
97.02910	1.4
98.20661	0.5
98.97594	1.5
99.00822	0.6
105.03398	1.2
105.07039	0.7
107.04972	2.5
107.08561	0.7
109.10201	0.7
111.00837	0.6
111.04442	0.6
115.05460	0.9
119.04946	16.6
119.08543	0.4
121.02877	0.7
121.06520	1.3
121.10165	0.5
123.04433	5.5
126.09203	0.4
126.10127	0.5
129.07007	0.7
130.06540	1.7
131.08586	0.5
132.08092	2.7
132.44106	0.4
142.06494	0.8
145.06483	0.7
145.10172	0.5
147.04417	43.3
149.02368	2.0
151.03922	1.3
152.06230	0.4
153.01836	100.0
153.06944	1.1
157.07657	0.4
157.10046	0.4
159.07977	0.8
159.09184	7.8
159.11806	0.5
160.07596	0.4
161.05975	0.6
163.03973	0.6
167.08643	0.7
169.07613	2.4
169.10161	0.5
170.06023	2.9
171.02946	3.8
171.04326	0.7
173.05978	0.5
179.03394	1.3
181.06464	1.6
183.04361	0.6
183.09264	0.8
184.07538	0.9
185.07150	4.4
187.08672	1.7
189.05510	2.1
195.08089	1.3
197.05997	0.5
200.07074	1.1
201.05479	4.0
201.10365	0.8
206.59753	0.5
207.06863	0.4
211.11087	0.4
213.05447	1.2
213.09174	0.7
223.07532	1.5
226.06349	0.4
227.08287	3.5
231.06712	0.6
241.05101	0.7
241.08591	1.9
243.10268	2.4
245.09375	6.8
255.06755	2.4
255.17236	0.5
273.04083	9.2
273.07562	95.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.0379
Annotation	Rheoemodin
Peak:m/z	Relative Intensity
53.03940	0.1
55.01675	0.0
55.01872	0.4
56.96553	0.1
60.14907	0.0
65.03936	0.1
67.01866	0.1
68.99480	0.0
68.99792	0.2
69.03412	0.1
71.52780	0.1
79.01863	0.2
79.05494	0.1
81.03411	0.4
84.08140	0.3
86.09705	0.0
91.05463	0.1
93.03387	0.1
97.02910	0.1
98.97598	0.2
103.01848	0.1
103.05462	0.1
105.07020	0.2
107.00623	0.1
107.01312	1.4
107.04930	0.1
109.02871	0.1
110.97535	0.1
115.04689	0.1
115.05446	0.8
119.04928	0.2
120.20821	0.0
121.02861	0.3
121.06474	0.0
123.04422	0.8
125.02335	0.2
128.98540	0.1
131.04898	0.1
133.06471	0.3
135.00710	0.1
135.04372	0.1
137.02368	0.5
137.03374	0.1
139.03938	0.1
141.01805	0.1
143.04921	0.7
147.04402	0.4
149.02293	0.1
149.05914	0.1
151.03917	0.1
153.01810	0.7
155.06070	0.1
161.05986	0.4
163.03903	1.0
165.00546	0.1
165.01843	0.9
171.04402	6.5
173.02364	0.1
173.51094	0.1
175.03831	0.3
177.01964	0.1
177.05534	0.1
183.02911	0.1
188.04662	0.1
189.05469	1.4
191.03412	0.7
195.51411	0.1
199.03908	1.7
201.01790	0.4
203.03355	0.3
205.05138	0.1
216.04144	0.2
217.04965	2.2
219.02898	2.8
219.86038	0.0
223.02345	0.2
227.03432	1.8
227.11996	0.1
231.02856	0.2
231.52249	0.1
240.02852	0.1
240.52905	0.4
244.03645	0.2
245.04449	6.8
249.03906	0.2
249.53413	0.1
250.77548	0.1
254.98888	0.1
255.02902	1.1
273.03918	100.0
274.04349	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.0373
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01851	5.6
57.03426	24.7
60.46304	4.7
61.02911	13.8
61.31330	5.2
64.06864	5.8
67.95416	5.2
69.03429	47.4
70.06573	5.7
70.92372	12.7
73.02906	20.7
73.73912	5.2
81.03423	11.4
82.99821	7.9
85.02911	100.0
87.04451	6.8
97.02914	41.3
99.04447	11.2
101.00879	19.4
102.02384	6.3
109.02873	7.0
113.00858	12.7
119.01904	16.9
126.12798	6.5
127.03955	48.3
129.02849	5.9
131.01886	13.1
138.03442	8.3
143.01917	83.6
144.02071	7.4
144.03415	6.4
145.04935	25.3
153.03966	14.9
155.01884	54.2
161.02957	50.1
165.03967	10.7
167.01906	6.4
167.39693	5.7
173.02977	48.5
174.04488	19.3
183.05002	55.0
185.02968	23.6
191.03961	9.5
192.05563	41.4
203.04068	47.0
215.04053	8.2
233.05032	17.1
245.05026	15.8
255.03619	6.7
263.06100	48.9
273.03748	18.8
275.06134	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	272.1858
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	36.2
56.96552	71.1
57.07061	21.2
67.05508	26.1
69.07056	70.9
69.81144	40.4
69.81555	33.6
70.04540	14.6
71.08629	16.6
73.72849	15.9
79.05483	20.6
81.07056	74.7
84.96009	18.8
85.24324	14.0
91.05473	30.3
93.07040	25.7
95.08603	43.6
97.02888	28.2
98.21511	25.5
98.97595	100.0
105.07032	27.8
107.08622	15.5
109.10098	27.6
110.97565	16.3
111.04455	16.9
116.98592	26.2
123.11649	19.0
124.99120	44.3
128.98700	18.2
131.00169	18.5
131.08582	16.7
140.29095	17.0
143.00134	57.6
149.13316	18.5
161.01236	66.8
170.99655	26.0
177.00719	29.9
189.00816	22.3
189.05510	24.6
201.00755	15.8
219.01939	15.5
227.34148	15.3
249.02834	49.2
267.03946	50.2
272.06448	50.6
272.10385	25.7
272.20602	41.8
272.25406	18.2
281.45593	17.3
285.04959	20.7
291.03964	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	272.197
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	1.3
56.05043	0.7
56.43537	0.4
56.96560	2.8
57.03425	1.7
58.10997	0.4
59.04991	1.2
61.02929	4.7
65.03915	0.6
69.03413	1.0
69.04528	0.8
70.06575	1.3
70.35720	1.6
71.04988	4.4
73.02905	1.1
79.05483	1.7
80.05011	0.6
81.04541	40.0
81.06593	0.5
81.07053	9.8
82.05295	0.6
83.06103	7.3
84.96028	0.6
85.02913	3.1
87.08094	1.3
89.03905	1.2
92.05013	3.5
93.04513	1.1
95.06090	14.3
97.02874	1.0
97.07668	0.5
98.20770	0.5
98.97549	1.4
99.08131	0.5
101.00888	0.8
107.06082	4.2
109.07614	0.5
110.06028	7.8
110.07153	17.2
110.97567	0.5
112.08750	0.6
117.03362	1.0
119.01858	0.6
121.07601	0.8
124.08714	37.5
124.99109	3.0
125.07115	18.8
125.08034	0.8
135.04388	1.1
137.10713	2.3
142.09753	8.1
143.00189	3.2
143.01923	0.7
144.98071	0.6
151.08733	0.9
156.07671	2.3
158.99690	0.6
161.01184	1.2
161.02820	0.6
163.03851	4.4
163.12306	22.4
164.04239	1.5
168.11325	1.0
170.99623	0.8
173.02910	0.7
179.11761	2.4
181.13361	2.8
182.03331	0.7
191.04037	1.1
193.13379	1.7
200.04472	0.5
205.00214	0.6
208.14435	2.4
211.14484	0.6
213.15955	2.1
222.16032	10.3
223.14377	5.3
226.15475	4.2
231.03505	1.3
232.36749	0.4
240.17070	13.5
249.02785	1.6
254.14917	2.6
254.18611	4.6
255.17049	2.4
267.03928	1.2
272.11313	1.7
272.16122	15.3
272.19656	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.2057
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	0.7
55.05510	4.3
56.96550	1.3
57.03434	1.2
57.07059	0.9
58.70900	0.6
65.03925	0.8
67.05505	8.2
67.06047	0.6
68.99763	0.6
69.03424	1.5
69.07069	5.7
71.04983	0.5
71.53078	0.8
74.44376	0.5
79.05488	7.9
81.03440	0.9
81.07056	19.5
83.04977	1.5
83.08614	2.3
84.08148	0.7
85.02928	1.0
85.06514	0.6
88.98369	0.5
91.05481	12.3
91.06030	1.2
93.07044	12.7
93.07613	0.7
95.04958	2.6
95.08607	18.4
97.02898	1.3
97.06544	1.8
97.10173	2.9
98.97567	1.4
103.05501	0.7
105.07032	14.9
107.04943	1.4
107.08599	9.7
107.38405	0.5
109.06515	1.9
109.10156	7.7
111.04455	0.7
111.08076	0.7
115.05447	1.2
116.98612	0.9
117.07017	13.5
119.04943	1.0
119.08578	11.2
121.06479	1.6
121.10142	6.6
123.08076	1.5
123.11707	2.1
125.09644	1.0
128.06190	2.2
129.07011	8.9
130.07817	0.6
131.08566	88.4
133.10127	6.9
135.08063	0.8
135.11676	5.7
137.09608	1.2
141.06992	3.3
142.07791	2.8
143.08563	27.3
145.10129	19.8
147.08046	1.7
147.11691	10.3
147.59692	0.6
149.02353	0.6
149.09650	1.1
149.13245	2.1
153.07018	1.9
155.08565	8.1
156.09354	0.8
157.10127	11.1
159.11688	9.3
159.12888	1.1
161.09602	3.1
161.13258	6.6
163.11188	2.2
163.14830	1.0
163.57281	0.6
163.71507	0.6
165.07010	2.4
168.05785	0.9
168.09328	1.3
169.10097	6.4
171.11691	14.7
173.09622	2.4
173.13257	8.5
175.11171	5.0
175.14822	1.9
183.08112	2.0
183.11679	8.9
185.13245	3.1
187.11227	0.7
187.14842	2.4
189.11066	1.3
189.12749	19.2
191.14314	1.0
197.13271	8.6
199.14810	2.5
200.39580	0.6
201.05461	0.8
201.12741	12.7
201.14569	1.0
201.16382	3.9
210.14052	0.9
211.07556	2.4
211.14835	6.1
212.15555	0.8
213.16389	29.1
215.06998	1.1
215.14371	3.2
215.17935	2.0
221.49269	0.6
225.16399	19.4
227.17999	4.2
228.08430	0.6
229.19307	0.8
243.06752	0.7
243.17447	0.8
243.21008	4.7
253.19518	35.6
271.06042	7.4
271.09683	6.0
271.20566	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.2058
Annotation	17-Methyl-18-norandrosta-4,13(17)-dien-3-one
Peak:m/z	Relative Intensity
52.14771	0.5
53.03961	1.4
53.64508	0.5
55.01885	0.6
55.05512	4.6
56.26438	0.5
56.96566	1.5
57.03429	1.1
65.03955	0.8
67.05507	7.3
69.03439	0.9
69.07058	4.3
71.52377	0.7
74.98239	0.5
79.05496	8.9
81.03414	0.8
81.07060	20.8
83.08601	3.2
85.02897	0.7
89.16292	0.6
91.05479	11.7
91.06013	0.8
93.07046	12.4
95.04980	2.2
95.08611	15.9
97.02882	0.6
97.06525	1.6
97.10170	3.3
98.97586	1.9
99.04494	0.6
103.05467	1.1
105.07036	15.0
107.04967	1.2
107.08604	9.7
109.06548	1.6
109.10154	8.4
111.08076	1.4
115.05451	1.6
117.07030	12.2
119.04872	0.7
119.08585	11.1
119.95878	0.6
121.06518	2.4
121.10135	5.6
123.08069	1.2
123.11739	2.7
125.09641	0.9
128.06218	3.4
129.07007	9.3
131.08575	85.0
133.10136	8.5
135.08054	1.2
135.11702	4.5
137.09619	0.9
139.03926	0.9
141.07001	4.5
142.07759	1.7
143.08569	27.8
144.09387	0.7
145.10126	20.5
147.08083	1.1
147.11673	10.3
149.02319	0.9
149.13272	2.9
151.11171	0.7
153.06956	1.6
154.07777	0.7
155.08575	7.5
156.09386	0.6
157.10133	13.4
157.11324	1.2
159.08107	0.7
159.11681	8.4
161.09634	3.2
161.13277	5.5
163.11224	1.9
165.07022	2.0
168.09361	2.0
169.06497	0.8
169.10120	6.8
170.11133	0.5
171.11685	12.6
173.09650	1.5
173.13249	8.3
175.11169	3.4
175.14850	2.2
181.06522	0.6
181.08531	0.5
181.10161	0.9
183.08099	1.3
183.11682	8.3
185.13190	2.9
187.14862	1.9
189.12749	17.5
191.14313	1.2
197.06075	0.7
197.13284	7.6
199.14844	3.0
201.12747	12.1
201.16281	3.1
210.14061	1.4
211.07533	2.1
211.14796	5.2
213.16396	28.4
215.07143	0.6
215.14326	2.8
215.17995	1.8
217.15808	0.8
225.16399	20.8
227.17929	4.5
229.05005	1.3
235.13417	0.8
243.06415	0.9
243.17480	0.9
243.18614	0.7
243.21031	5.9
253.19531	35.6
271.06030	8.9
271.09665	4.3
271.20572	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.2057
Annotation	Clathrin B
Peak:m/z	Relative Intensity
53.03929	0.9
55.01881	0.7
55.05510	6.7
56.96553	0.9
57.07068	0.9
67.05506	11.2
67.21191	0.5
69.03389	0.6
69.07066	5.7
69.47189	1.9
69.47608	2.1
70.77761	0.5
71.04996	1.1
79.05067	0.8
79.05492	9.5
81.07055	17.9
83.04996	0.7
83.08615	2.2
85.06557	1.0
87.51559	0.6
91.05482	42.3
93.07045	21.3
93.07638	1.1
95.04951	1.4
95.08611	16.1
97.06526	2.2
97.10170	8.3
102.21763	0.6
104.06249	0.7
105.03389	1.8
105.07030	38.6
107.04977	1.2
107.08593	12.7
109.06521	2.2
109.10155	44.0
111.08092	0.9
115.05445	0.9
117.07026	9.7
119.04957	5.8
119.08581	79.9
121.06517	1.6
121.10141	13.4
123.08089	1.0
123.11698	5.3
128.06224	1.1
129.06975	3.7
130.07848	0.6
131.08559	10.3
133.06503	2.0
133.10123	13.2
135.08002	1.4
135.11705	4.7
137.09561	0.7
141.07013	2.6
142.07761	1.1
143.08566	10.4
145.06480	2.0
145.10126	17.4
147.08049	21.6
147.11687	18.5
149.09628	5.4
149.13245	2.9
151.11256	0.7
153.07033	0.7
155.08556	8.3
156.09315	0.9
157.10156	6.7
159.08072	1.6
159.11688	8.3
161.09625	7.2
161.13257	3.7
163.11156	3.3
163.14932	0.8
168.09373	1.0
169.10118	13.6
171.11717	7.0
173.09624	2.9
173.13251	5.0
175.11194	13.4
175.14850	1.6
177.12756	3.3
179.14308	1.6
182.10965	0.6
183.11670	7.1
185.13261	3.8
187.11211	1.4
187.14749	3.0
189.12726	4.9
191.14307	1.1
194.96640	0.6
197.13217	7.1
199.14771	2.0
201.12689	3.1
201.16408	1.6
209.13184	0.6
211.14859	6.5
213.16328	2.7
215.14343	3.5
217.15927	0.7
225.16374	5.6
227.17899	7.7
229.15877	10.1
229.19525	2.3
243.17445	19.8
243.21075	3.5
253.19519	35.5
254.19594	0.6
262.36978	0.6
271.06067	5.6
271.20569	100.0
276.96887	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.1443
Annotation	Quinolactacin A
Peak:m/z	Relative Intensity
55.05507	1.3
56.73978	0.5
56.96563	1.5
57.07080	0.6
67.05505	3.2
69.07060	0.9
69.69782	2.6
79.05486	1.9
81.05806	0.6
81.07059	3.8
85.06505	0.6
91.05499	3.0
93.05777	0.7
93.07040	2.1
94.06576	1.1
95.08607	1.3
96.08120	2.5
98.20767	1.1
98.97568	0.8
105.07003	1.8
106.06570	2.0
107.08559	1.9
108.07431	1.0
108.08121	12.1
109.10146	1.4
117.07028	1.0
119.08571	1.9
120.08095	0.8
121.10190	0.6
122.09610	1.2
123.11732	0.7
129.07021	1.1
131.08630	1.0
133.10072	0.9
134.06009	1.7
136.07570	1.8
141.07002	0.9
142.07819	1.0
143.08511	0.8
144.08075	0.7
145.10115	0.8
147.06796	0.6
148.07552	0.9
151.11240	0.8
153.01735	0.8
154.06503	0.7
155.08507	0.9
156.08223	0.6
157.10176	1.6
158.09624	1.0
159.08066	2.2
159.09216	0.8
161.13292	0.7
168.08127	3.2
169.08861	4.2
170.09686	1.4
171.09222	1.0
171.11719	1.2
172.07582	1.8
173.09731	0.9
174.09163	1.4
181.10147	1.2
182.06107	0.6
182.09688	1.7
182.83496	0.6
183.10426	4.9
183.11726	1.0
184.07607	1.0
185.10744	1.7
186.05598	0.7
186.09154	1.2
186.11594	1.3
187.14755	0.7
196.07581	5.6
197.08376	9.5
198.09157	1.9
198.12788	8.4
199.08665	7.5
199.12321	1.5
200.13057	1.0
208.11206	1.2
210.09164	1.6
211.09944	17.3
212.09383	1.0
213.10242	12.7
214.10921	3.6
215.11929	0.6
215.15533	3.9
225.11542	0.7
225.13777	1.4
226.12280	34.2
227.08289	0.9
227.11795	15.4
228.12578	25.2
239.11720	1.4
241.09669	2.3
241.13342	1.0
242.10522	2.2
242.14230	0.8
243.14940	24.0
243.17142	0.9
253.13403	4.1
253.15753	0.8
253.19426	0.8
254.11745	2.2
255.11284	17.8
256.12088	21.8
269.12811	0.7
271.06149	7.9
271.14423	100.0
272.25790	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.0812
Annotation	Unknow
Peak:m/z	Relative Intensity
52.42853	1.0
53.03942	1.4
55.01877	6.9
55.05501	1.2
57.03434	2.6
61.02922	1.5
65.03934	2.8
67.05502	1.8
68.99772	2.1
69.03436	1.9
69.07035	1.0
69.41933	7.1
71.05014	1.4
77.03947	1.6
79.05510	5.6
81.03414	2.0
81.07040	2.1
83.01332	1.7
83.04975	2.9
85.02908	18.5
90.02610	0.9
91.05486	8.8
93.03422	7.1
95.04940	4.5
96.39935	1.0
97.02892	8.6
97.06512	1.4
98.21552	2.0
98.97527	1.9
99.04475	2.0
105.07014	3.2
107.04951	5.0
109.02900	8.9
111.04451	10.2
115.05395	1.8
119.04941	1.4
121.02856	4.5
121.06505	1.8
123.04425	5.5
127.03873	4.1
133.06429	2.5
135.03410	1.8
135.04422	32.8
137.05962	2.5
139.03894	10.5
147.04413	5.2
149.02332	3.1
149.05968	1.7
151.03906	100.0
153.06978	1.5
155.08499	1.7
161.05934	2.6
163.03918	19.1
165.05415	2.8
165.06985	3.3
169.06497	1.3
175.03796	1.3
177.01820	2.9
177.05560	2.3
179.03438	15.0
179.07010	1.8
181.04961	87.0
183.07990	2.4
187.03841	1.4
189.05470	17.8
193.04950	2.5
197.05992	2.3
205.04953	3.9
207.06473	2.5
211.07550	1.6
217.04982	17.3
223.06012	24.9
225.05380	1.2
235.06023	46.0
235.08424	2.4
241.06940	2.3
243.06555	3.2
253.05028	1.2
253.07080	9.7
271.05838	9.4
271.08130	30.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.0788
Annotation	Micrandrol C
Peak:m/z	Relative Intensity
55.01873	1.6
55.05498	1.5
56.96556	2.9
61.66655	1.2
67.05491	3.3
68.99777	1.4
69.03419	2.6
69.63687	7.0
71.04967	1.8
79.05505	2.0
81.03419	2.3
81.07059	2.9
83.01109	2.4
84.08132	4.2
85.02900	2.6
91.05475	4.9
93.07047	2.6
95.08597	1.8
97.02925	1.9
98.97582	2.6
107.01322	3.4
107.04952	2.1
109.10135	2.1
111.04443	1.8
119.04939	1.8
119.08595	2.0
121.02966	1.6
123.04462	1.5
125.09588	2.1
127.00028	28.4
129.06960	1.8
131.08548	2.3
133.10159	1.9
135.04393	2.7
137.09546	1.3
139.03795	1.4
141.07014	2.6
147.18602	1.1
149.05774	5.4
151.03899	6.5
163.03935	3.6
165.06996	3.5
167.06769	10.1
169.06497	3.3
179.03325	1.7
181.04919	5.1
181.06461	1.2
181.08374	5.6
183.08057	1.5
187.03989	2.9
189.05521	2.8
197.05975	9.6
207.14897	1.5
209.07788	8.6
211.07555	1.4
215.03375	2.0
215.07016	3.1
217.04968	1.7
225.05394	6.2
225.07370	11.3
225.16090	2.9
227.08969	3.2
229.04951	4.0
235.06033	3.2
243.06558	5.0
253.04907	10.6
253.06876	1.1
261.30142	1.3
271.05811	48.7
271.07944	100.0
271.16791	3.3
271.20395	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	270.0821
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	3.7
55.05511	4.1
56.96563	17.6
57.03436	3.6
59.04996	17.1
67.05493	6.6
69.03422	8.4
69.07056	5.1
69.42929	24.8
70.06596	15.7
72.08133	7.1
72.93802	5.8
73.06558	88.0
75.04477	9.2
79.05476	4.5
81.03427	3.9
81.07036	4.7
82.06609	4.1
83.04965	4.1
84.04493	5.0
84.08135	8.4
85.02922	21.1
85.06538	7.4
87.04478	24.9
88.07632	6.4
89.03900	8.4
89.05991	6.4
91.05479	3.9
91.07583	9.7
92.62634	3.2
94.78654	3.9
97.02897	7.8
98.97607	8.9
103.03924	9.4
103.05443	6.7
105.07023	8.6
106.06584	4.3
107.04961	5.0
108.08082	6.3
109.02859	5.1
110.07158	6.8
110.97543	4.4
111.04425	6.5
113.96374	3.5
116.07184	3.4
117.03392	5.9
120.08091	17.6
120.90752	2.9
121.06493	7.1
122.06068	4.3
123.04472	3.1
124.07602	8.4
124.99116	5.9
128.15297	3.5
129.10208	4.4
131.03416	12.5
132.08142	7.3
132.69714	3.3
135.04427	16.5
136.06204	7.4
137.06528	3.2
143.00157	11.8
145.02797	8.2
145.04912	4.8
149.00507	4.3
150.09163	4.0
158.99722	3.8
159.03242	4.0
161.04457	32.8
163.03903	59.2
164.04216	4.6
175.91394	3.5
185.01254	3.7
189.00716	3.8
203.02144	4.7
206.11682	6.2
217.03426	100.0
218.99544	8.1
219.01543	3.9
221.09180	5.3
224.12625	17.7
231.01634	4.3
235.04507	28.8
238.11916	25.6
246.98941	9.8
249.02847	5.2
252.06972	3.5
252.12314	4.5
270.00562	5.8
270.07974	3.8
270.13263	33.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1749
Annotation	Stereumin J
Peak:m/z	Relative Intensity
52.03141	0.8
55.05509	4.7
56.96555	1.1
57.03435	1.0
57.07066	1.0
59.05006	10.7
67.05501	10.0
69.03079	1.4
69.03430	16.6
69.07057	3.9
70.53442	2.7
71.04984	4.2
72.08147	1.2
73.02859	1.0
73.75525	0.8
78.50963	0.9
79.05497	6.8
81.03443	1.2
81.07057	15.1
83.04977	8.7
83.08602	2.5
85.06516	2.3
91.05460	5.1
93.07038	8.6
95.04964	2.0
95.08604	10.6
97.02884	5.4
97.06530	4.7
97.10126	1.0
98.97580	2.4
105.07039	9.5
107.04996	1.0
107.08585	11.2
109.05896	1.2
109.06531	13.1
109.10161	31.4
111.08085	5.0
116.67400	0.9
117.06983	2.0
119.08603	12.0
121.06493	3.2
121.10143	22.8
122.07274	1.3
123.08070	13.0
123.11679	3.5
125.06002	1.5
125.09608	2.4
129.07002	1.5
131.08562	5.3
133.10139	9.0
135.08070	8.2
135.11682	5.4
137.02339	5.9
137.05994	1.1
137.09619	44.6
141.09003	2.0
142.07687	1.2
143.08543	3.5
145.10123	17.4
147.08022	3.8
147.11700	7.4
149.09622	13.1
149.13271	1.9
151.11189	7.2
155.08574	1.8
157.10103	3.4
158.10828	2.1
159.08040	3.3
159.11671	3.8
160.08829	1.0
161.09662	6.6
161.13263	1.6
163.11185	30.4
163.14804	1.3
165.09109	3.4
165.12758	4.4
169.10155	1.5
171.11649	2.6
172.12488	1.6
173.09648	6.8
173.13261	9.5
175.11172	7.0
177.09073	1.9
179.10693	10.8
181.12242	9.1
182.10913	1.6
187.11339	0.9
187.14825	9.0
189.12781	6.6
191.10718	3.9
191.14305	19.4
193.12234	12.2
195.10204	1.3
197.11691	9.2
197.13240	1.6
200.12000	1.5
205.15892	15.5
207.13795	4.6
209.13412	1.0
209.15280	2.1
215.14319	14.2
223.14850	1.6
233.15369	100.0
251.12379	3.6
251.16409	44.8
269.13550	25.1
269.17456	42.0
292.03156	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1749
Annotation	[3S-[3lphaa,4beta,5beta,7beta(1R*,4S*)]]-7-(4-Hydroxy-1,4-dimethyl-2-cyclohexen-1-yl)-7-methyl-1-oxaspiro[2.4]heptane-4,5-diol
Peak:m/z	Relative Intensity
53.03936	4.5
55.01865	3.2
55.05507	20.6
56.96554	3.4
57.03436	27.8
57.07065	4.5
58.99548	1.8
65.69564	1.7
67.05506	75.4
69.07069	29.9
71.04975	6.6
71.52695	3.6
79.05494	49.8
81.03418	2.0
81.07057	100.0
83.04986	11.0
83.08624	17.6
85.06523	5.8
91.05478	29.1
93.07047	73.3
95.04950	5.8
95.08614	31.3
97.06532	18.6
97.10164	3.8
99.04409	2.5
99.08066	5.0
104.99262	2.2
105.04481	2.0
105.07023	14.4
107.07876	2.8
107.08588	38.4
109.06521	4.3
109.10126	6.6
111.08078	10.6
117.07042	13.9
119.08556	7.0
120.09316	1.9
121.10141	22.3
123.11697	2.8
131.08565	15.0
133.10153	16.7
135.11710	16.4
145.10159	3.5
147.11700	4.8
149.09602	2.5
149.13263	46.4
151.11185	2.8
156.52084	2.0
159.11703	30.5
161.13229	6.3
173.13300	3.6
177.12776	18.8
179.14282	4.6
185.13255	2.1
187.14891	2.1
195.13860	14.6
197.74562	1.9
213.14734	3.4
213.16542	2.7
269.17447	83.9
269.22519	27.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1749
Annotation	[3S-[3lphaa,4beta,5beta,7beta(1R*,4S*)]]-7-(4-Hydroxy-1,4-dimethyl-2-cyclohexen-1-yl)-7-methyl-1-oxaspiro[2.4]heptane-4,5-diol
Peak:m/z	Relative Intensity
53.03931	4.1
55.01859	5.1
55.05516	20.3
56.96560	2.5
57.03440	35.6
57.07058	5.0
58.93394	1.2
65.03931	3.0
67.05508	83.0
69.03420	2.0
69.07074	34.0
69.39375	1.9
69.39777	7.8
71.04999	8.0
71.08631	1.7
79.05496	50.0
81.03406	2.2
81.07059	100.0
83.04981	12.7
83.08625	20.9
85.06557	8.0
91.05482	25.0
93.07049	80.8
95.04953	7.4
95.08617	34.5
97.02908	1.9
97.06538	16.1
97.10147	3.2
98.97591	10.0
99.08084	4.5
105.04547	1.6
105.07042	14.5
107.08604	43.9
109.06490	5.1
109.10128	5.0
109.59453	1.1
111.08086	11.1
111.11658	2.5
111.59372	1.2
113.05994	1.8
113.09626	1.5
116.98601	2.9
117.07027	12.2
119.08593	6.8
121.06516	2.4
121.09344	2.0
121.10152	27.5
123.08016	2.3
123.11671	3.5
125.09562	1.3
129.07024	1.4
131.00241	1.6
131.08583	13.6
133.10149	12.9
135.08023	1.4
135.11687	13.2
139.07457	1.5
139.11143	3.7
143.08557	2.0
145.10086	3.5
147.04225	1.3
147.08061	1.4
147.11646	4.4
149.09576	1.5
149.13264	61.6
151.11142	1.7
157.10132	2.1
158.99626	2.4
159.11707	26.6
161.13303	1.4
165.12769	1.4
167.08522	1.2
167.14223	1.9
169.10161	1.4
171.11682	2.3
173.01256	1.4
173.13255	1.6
177.12740	13.3
187.14706	1.6
195.11852	1.5
195.13834	18.6
197.16977	1.2
199.14746	1.4
209.13245	1.5
226.10403	1.6
227.18056	1.9
244.99994	2.1
246.69341	1.3
269.07959	1.4
269.17422	75.8
269.22153	14.8
270.33484	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1749
Annotation	Arteincultone
Peak:m/z	Relative Intensity
53.03936	3.6
53.68975	1.1
55.01863	4.2
55.05268	1.6
55.05513	20.0
56.49011	1.0
56.96552	2.6
57.03442	33.1
57.07090	5.9
65.03901	1.6
65.25193	1.3
66.12791	1.1
67.05509	83.7
69.03442	1.5
69.07072	30.0
70.06571	1.0
71.04982	8.1
73.02914	1.7
79.05496	44.3
81.03417	2.1
81.07060	100.0
83.04992	9.7
83.08623	25.2
85.02905	3.1
85.06544	9.2
87.04469	1.1
91.05481	25.9
93.07050	72.9
95.04963	4.5
95.08612	29.3
97.02884	3.1
97.06531	16.5
97.10180	2.8
98.20635	1.2
98.97564	3.7
99.04437	1.4
99.08102	6.0
105.04487	1.9
105.07029	14.2
107.08601	40.0
109.02885	1.2
109.06516	4.6
109.10139	6.3
111.08090	12.3
113.06018	1.1
116.70816	1.2
116.98631	1.5
117.07021	11.5
119.08608	6.7
121.06541	3.1
121.10152	25.9
121.38253	1.3
123.08099	1.5
123.11713	4.7
129.06999	1.4
131.08559	13.1
133.10133	13.0
135.08029	3.3
135.11674	10.9
137.02336	1.5
139.11212	3.1
143.08565	2.7
145.10135	4.3
147.11691	4.0
149.13263	58.0
154.07516	1.1
155.08597	2.5
155.50372	1.2
157.10132	3.8
158.99655	1.3
159.11699	28.7
161.13274	2.4
165.01840	6.1
167.14325	2.2
169.10091	1.7
170.05777	2.5
171.11678	2.5
173.13239	3.1
177.12766	13.7
179.14391	2.0
181.10071	1.6
183.02977	2.2
195.11952	1.6
195.13834	16.1
199.14790	1.7
209.13332	1.3
211.14867	1.6
223.14929	1.4
224.79910	1.1
227.07228	1.1
229.07518	2.1
238.04985	1.6
238.09714	2.3
247.05536	1.3
247.08600	1.3
251.12447	1.4
251.20276	2.0
269.04309	1.4
269.08203	3.7
269.13589	14.7
269.17502	76.7
269.22604	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	269.1748
Annotation	[3S-[3lphaa,4beta,5beta,7beta(1R*,4S*)]]-7-(4-Hydroxy-1,4-dimethyl-2-cyclohexen-1-yl)-7-methyl-1-oxaspiro[2.4]heptane-4,5-diol
Peak:m/z	Relative Intensity
53.03936	4.0
55.01869	2.5
55.05518	20.6
56.96585	2.2
57.03198	2.1
57.03440	24.6
57.07063	2.3
65.03931	2.8
67.05509	77.0
69.07072	28.8
70.13658	6.1
71.04974	6.4
71.08627	2.1
73.02908	1.5
79.05496	46.4
81.03425	3.0
81.07059	97.6
83.04984	11.4
83.08629	21.3
85.06529	5.6
91.05488	27.3
93.07049	77.2
95.04955	6.6
95.08606	29.5
97.06011	1.7
97.06544	18.6
97.10143	1.9
98.20876	2.1
99.08100	8.5
104.93505	1.5
105.07051	12.4
107.08597	33.7
109.06504	5.3
109.10146	8.1
111.08082	10.8
117.07021	15.5
119.08598	7.2
121.10141	19.3
123.11686	4.9
125.09621	2.3
131.08580	17.3
133.10124	19.1
135.11693	13.6
139.11189	1.7
142.36050	1.5
145.10095	2.8
147.11694	3.0
149.13263	44.8
151.11153	3.1
157.10158	3.0
159.10477	2.7
159.11703	40.3
161.13234	4.0
162.90704	1.4
167.14323	1.7
173.13242	2.3
177.12737	24.0
179.14279	4.6
189.68634	1.4
195.12167	2.4
195.13824	19.5
200.26572	1.6
223.14713	1.6
269.17462	100.0
269.22354	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	269.1749
Annotation	Arteincultone
Peak:m/z	Relative Intensity
53.03931	5.0
55.01847	2.8
55.05267	2.0
55.05509	18.4
56.96560	4.6
57.03438	32.4
57.07063	4.3
58.53671	1.8
61.83302	1.6
65.03931	2.4
67.05507	77.2
69.07069	29.1
69.16032	3.2
69.16373	19.5
71.04974	8.2
71.08640	2.3
79.05077	2.9
79.05496	41.6
81.03410	2.3
81.07057	100.0
83.04958	8.2
83.08611	16.0
85.06522	5.9
91.05480	22.9
91.52863	1.6
93.07048	71.6
95.04945	8.1
95.08605	25.4
97.06530	16.0
97.10153	3.8
99.08093	3.3
105.07058	11.2
107.07891	2.1
107.08592	36.7
109.06502	3.0
109.10135	7.2
109.10845	1.7
111.08082	9.2
113.09624	3.7
117.07045	10.7
119.08544	5.4
121.06487	2.5
121.10151	25.9
123.11684	4.4
131.08582	10.5
133.10158	11.6
135.08029	3.6
135.11725	12.5
139.11176	2.4
145.10066	3.0
147.11630	4.0
149.09560	2.4
149.13266	47.0
156.58505	1.9
159.11685	25.7
161.13220	2.9
171.11713	2.5
177.12744	15.8
177.66281	1.8
195.13792	21.3
213.14764	2.9
251.20258	2.1
258.21506	2.3
269.17435	68.0
269.22568	7.9
293.99765	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1748
Annotation	Trichotriol
Peak:m/z	Relative Intensity
52.23277	1.2
53.03926	5.0
53.04144	1.2
55.01856	2.4
55.05515	18.9
56.96549	3.2
57.03439	24.9
57.07053	3.6
58.01152	1.3
65.03934	2.3
67.05508	65.2
69.03402	1.6
69.07067	27.0
69.32166	11.1
71.04993	7.3
73.02907	1.9
78.13434	1.5
79.05495	42.6
81.03426	1.9
81.07059	100.0
83.04980	7.3
83.08161	1.4
83.08623	17.5
85.06531	6.2
91.04988	2.0
91.05488	25.9
93.07050	65.6
95.04996	6.1
95.08609	30.7
97.06011	1.5
97.06529	17.1
97.10131	3.3
98.97546	1.8
99.08089	4.4
105.07053	12.4
107.08605	32.1
109.06505	3.7
109.10142	6.7
111.08086	10.0
111.11721	1.6
113.09632	1.9
117.07010	9.6
119.08574	7.0
121.10152	18.0
123.08064	1.3
123.11676	3.2
127.11181	1.6
131.08572	15.1
133.10152	14.7
135.08096	1.6
135.11723	10.4
142.07770	1.4
143.08536	2.9
145.10144	4.0
147.11699	3.2
149.13257	41.5
151.11113	2.4
153.09111	1.8
157.10150	1.8
159.11703	28.4
161.13251	5.1
167.14302	2.3
171.11668	2.3
173.13235	2.7
177.12727	16.3
179.14326	2.8
183.11647	1.7
185.13194	2.0
187.14699	1.6
195.13821	17.9
199.14912	1.6
251.16261	2.0
251.19978	3.6
269.17419	67.8
269.22150	11.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1749
Annotation	[3S-[3lphaa,4beta,5beta,7beta(1R*,4S*)]]-7-(4-Hydroxy-1,4-dimethyl-2-cyclohexen-1-yl)-7-methyl-1-oxaspiro[2.4]heptane-4,5-diol
Peak:m/z	Relative Intensity
53.03931	3.3
55.01851	3.2
55.05514	21.2
56.96548	3.9
57.03439	36.8
57.07059	4.1
65.03916	2.8
67.05507	80.3
69.07068	29.7
69.30579	11.9
71.05009	6.8
71.06215	1.3
77.03890	1.3
78.13726	1.3
79.05496	48.0
81.03409	3.7
81.07060	100.0
83.04980	9.9
83.08620	21.8
85.05384	1.2
85.06507	5.4
90.31099	1.2
91.05479	34.5
93.07052	72.5
94.95144	1.3
95.04961	8.8
95.08617	32.6
97.02827	1.3
97.06538	20.6
97.10143	4.0
97.99197	1.6
98.85451	1.2
98.97566	2.6
99.08052	5.2
105.07036	13.8
107.08601	39.7
109.06490	5.8
109.10152	7.7
111.08097	11.5
113.06034	2.0
113.09531	1.3
117.06370	1.2
117.07021	15.3
119.08601	7.6
121.06471	1.9
121.09343	1.7
121.10147	24.1
123.07971	1.4
123.11671	6.2
125.09548	1.5
130.06502	2.3
131.08557	20.5
133.09264	1.6
133.10135	19.2
135.08012	2.8
135.11703	15.3
139.11171	1.4
142.07822	1.7
143.08504	2.5
145.10065	4.0
147.11658	3.1
149.09540	1.8
149.13274	49.3
151.11128	2.7
157.10094	5.0
159.11693	36.2
161.13208	3.6
167.14189	2.9
169.10123	2.1
171.11656	3.8
173.13213	4.3
177.12764	16.0
179.14323	3.0
180.53673	1.4
183.11690	1.6
185.13217	2.9
195.11934	2.8
195.13760	18.3
199.14752	2.0
213.09094	1.7
213.12746	1.5
213.14552	1.7
213.16434	2.6
226.06291	1.3
246.65579	1.4
253.04904	1.9
269.08105	19.3
269.17386	82.7
269.22537	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	269.1748
Annotation	[3S-[3lphaa,4beta,5beta,7beta(1R*,4S*)]]-7-(4-Hydroxy-1,4-dimethyl-2-cyclohexen-1-yl)-7-methyl-1-oxaspiro[2.4]heptane-4,5-diol
Peak:m/z	Relative Intensity
53.03949	4.7
55.01868	2.4
55.05267	1.5
55.05510	17.5
56.96564	1.7
57.03439	29.5
57.07057	3.2
57.19798	1.0
65.03939	2.2
67.05507	74.7
69.07070	28.7
69.20016	0.9
70.38177	1.0
71.04995	6.5
73.02887	1.2
79.05495	48.2
81.03411	1.4
81.07059	100.0
83.04987	12.3
83.08620	16.3
84.08145	1.2
85.02861	1.3
85.06534	5.6
91.05486	32.9
93.07047	73.1
95.04964	7.2
95.07303	1.6
95.08611	28.0
97.06532	16.1
97.10168	1.7
99.08097	5.3
105.06405	1.3
105.07040	15.3
107.08599	35.6
109.06519	3.8
109.10165	5.0
111.08073	9.7
113.09644	1.3
117.07034	13.3
119.08547	3.4
121.06493	2.1
121.10153	20.5
123.06791	1.4
123.11723	4.9
124.07586	1.5
125.09653	1.0
127.07543	1.1
131.08577	16.0
132.66742	1.0
133.10133	15.8
133.37965	1.0
135.08072	2.2
135.11696	14.1
145.10233	1.3
147.11708	2.4
149.09598	6.4
149.13264	40.5
149.23250	1.0
151.11182	2.6
157.10156	1.3
159.11699	28.3
161.13271	2.9
177.09079	2.8
177.12758	16.7
179.14330	3.3
195.13814	19.0
198.42218	1.0
213.14824	2.0
260.36694	1.1
269.17465	80.9
269.22473	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	268.9827
Annotation	Unknow
Peak:m/z	Relative Intensity
50.81259	1.0
50.94893	1.0
57.33358	0.9
57.95792	1.0
70.91754	1.6
70.92096	1.0
98.21444	1.0
112.89604	1.2
132.41103	1.0
136.94034	4.6
156.29865	0.9
162.95564	3.8
192.99892	1.7
250.97063	1.2
253.36444	1.0
268.98260	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	269.1747
Annotation	[3S-[3lphaa,4beta,5beta,7beta(1R*,4S*)]]-7-(4-Hydroxy-1,4-dimethyl-2-cyclohexen-1-yl)-7-methyl-1-oxaspiro[2.4]heptane-4,5-diol
Peak:m/z	Relative Intensity
53.03936	2.9
55.01858	3.9
55.05280	1.2
55.05515	19.7
55.76252	1.4
56.20209	1.2
56.96553	1.8
57.03199	2.1
57.03436	24.8
57.07063	5.9
58.86858	1.5
62.71576	1.3
65.03938	1.9
67.05505	81.1
69.06739	1.7
69.07071	24.2
70.24613	2.4
70.25004	3.4
71.04993	6.8
72.22678	1.2
74.13387	1.3
79.05495	44.8
81.03409	1.8
81.07058	100.0
83.04980	10.9
83.08615	18.3
85.06532	7.1
91.05485	30.4
93.07043	72.2
95.04973	7.9
95.08605	28.0
97.06530	19.1
97.10176	3.1
98.21383	1.6
99.08090	4.6
105.04492	1.8
105.07029	13.3
107.07885	1.7
107.08598	32.8
109.06503	5.3
109.10144	6.6
111.08088	10.9
113.05922	1.3
117.07014	14.1
119.08578	6.9
121.10138	21.0
123.11659	4.0
125.09573	1.2
131.08565	17.7
133.10133	18.4
135.08104	2.7
135.11697	16.3
145.10083	2.8
147.11687	4.5
149.09569	4.8
149.13255	45.5
151.11194	2.3
157.10181	1.9
159.11688	37.4
161.13263	5.5
167.14337	2.0
173.13310	2.5
177.12747	17.4
179.14276	4.9
187.14755	3.7
191.65199	1.9
195.13820	18.4
199.14795	2.0
213.14853	1.5
222.49010	1.2
227.17891	1.8
251.16380	2.0
269.17450	89.8
269.22449	27.3
283.06564	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	268.1042
Annotation	Adenosine
Peak:m/z	Relative Intensity
53.20743	0.2
54.46661	0.1
55.01847	0.2
57.03434	0.5
58.86158	0.2
69.03436	0.3
69.04552	0.3
69.51077	0.4
69.51485	0.9
80.23470	0.2
81.04524	0.3
85.02899	0.5
94.04074	0.4
96.00524	0.2
110.07174	0.4
115.03948	0.2
119.03568	0.6
121.06519	0.3
136.06192	100.0
137.04588	0.3
137.08223	0.3
142.06117	0.2
163.03957	0.2
206.11731	0.4
222.09840	2.8
268.10406	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	268.1544
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	1.3
55.05510	0.5
56.96576	0.5
57.03442	0.5
59.25794	0.4
59.71079	0.4
60.08094	0.3
61.73624	0.4
62.42741	0.4
62.67489	0.4
67.05523	0.7
69.03443	0.5
69.85265	1.9
70.06597	0.9
70.29428	0.4
72.04510	0.5
72.08156	4.2
73.02928	0.4
74.59202	0.4
76.02242	0.5
81.03413	0.6
81.07047	0.6
84.04515	0.5
84.08138	3.7
85.02904	1.3
86.09707	0.7
87.04425	0.5
88.04012	0.9
91.05486	4.7
92.72383	0.5
93.07052	7.6
95.04962	0.9
96.04510	0.4
97.06565	1.4
98.97639	0.4
100.07607	2.3
103.03975	2.2
103.05474	4.7
105.04523	0.7
105.07007	0.5
106.02946	0.7
107.04957	2.0
108.05747	0.7
119.08543	0.4
120.05730	0.9
120.08072	0.5
121.02888	1.2
121.06507	100.0
122.06813	0.6
124.03966	6.4
129.10240	0.6
130.08652	1.4
132.08055	0.5
133.06499	1.4
135.02617	1.4
135.04427	0.8
136.06169	4.6
136.07149	0.4
136.07637	0.6
137.05978	1.3
138.09140	1.1
145.45879	0.4
148.07576	1.2
149.05983	0.5
150.07829	0.5
150.09135	0.9
160.07591	1.5
161.06068	0.7
162.03728	0.8
163.02206	0.3
163.03862	2.5
164.07147	0.6
164.10800	0.9
170.05597	1.3
178.08640	19.8
178.12257	9.1
188.10733	1.1
189.09100	0.7
192.10187	3.7
206.11755	6.4
208.04233	1.7
208.09833	0.5
222.11194	1.3
233.11668	0.9
250.14352	0.9
251.03740	0.5
251.12810	0.6
268.08047	1.6
268.15436	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	267.2684
Annotation	(9Z,12Z)-Octadeca-9,12-dien-1-ol
Peak:m/z	Relative Intensity
53.03929	4.0
55.01858	2.1
55.05510	36.0
56.96549	2.5
57.03439	17.5
57.07073	34.5
59.04988	2.8
65.03898	1.4
67.05505	42.7
68.83369	1.1
69.03430	2.4
69.07068	51.5
70.04014	2.3
70.04412	2.8
71.04995	9.5
71.08631	23.9
72.08160	2.9
79.05075	1.6
79.05494	19.5
81.02934	2.4
81.03419	80.5
81.07056	90.4
83.04972	5.6
83.08618	58.2
85.06525	5.2
85.10173	10.7
91.05481	19.2
93.07037	12.4
95.04970	18.3
95.08607	100.0
97.02889	2.8
97.06516	1.9
97.10175	38.9
98.21507	1.3
99.08090	2.6
105.03366	3.2
105.07030	17.2
107.04947	4.1
107.08575	6.0
109.06513	2.4
109.10161	66.6
111.04430	1.4
111.08061	4.0
111.11719	20.2
113.09628	1.6
115.05465	1.8
117.07001	4.8
119.08577	15.2
121.06494	2.2
121.10168	6.6
123.04413	1.7
123.08049	2.2
123.11707	46.3
125.13251	4.2
129.06999	10.4
131.08565	11.7
133.06445	2.1
133.10126	8.4
135.11697	3.7
137.09526	1.4
137.13251	18.7
139.14873	1.2
141.07036	1.7
142.07774	2.7
143.08556	4.2
145.10112	7.7
147.08028	2.7
147.11737	8.3
147.12726	1.9
149.09615	3.1
151.14833	8.1
153.16403	1.4
155.08510	4.2
157.10124	9.5
159.11665	4.3
161.13232	1.6
165.12706	2.0
165.16412	6.4
169.10115	3.5
171.11673	4.8
173.13251	4.6
175.11182	7.1
179.17923	4.6
183.11688	4.6
185.13263	7.2
185.19046	1.4
187.14771	3.1
193.12259	16.9
193.19473	6.6
197.13263	5.3
199.14827	2.1
202.49446	1.2
211.13110	1.6
211.14877	5.7
223.04195	1.3
225.16396	5.2
239.17938	5.2
249.07948	1.6
249.14920	1.3
249.25752	10.1
250.21667	1.4
267.09143	7.4
267.13904	1.7
267.15829	50.6
267.21054	64.7
267.26831	25.6
285.10104	10.1
285.69720	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.1591
Annotation	Alliacolide
Peak:m/z	Relative Intensity
53.03950	3.5
55.01868	1.8
55.05515	6.1
55.19979	0.6
57.03442	20.6
59.05004	0.7
63.37208	0.6
66.48420	0.6
67.05511	10.8
67.72472	0.6
69.03431	2.2
69.07063	3.0
71.04990	0.8
77.03987	0.7
77.91660	0.6
79.05494	11.3
81.03423	100.0
81.07059	11.5
82.44770	0.7
83.04994	5.3
83.08622	13.2
85.06567	0.9
91.05485	17.8
93.07069	6.4
94.90583	0.8
95.04978	20.1
95.08607	4.3
97.02893	2.1
97.06548	1.4
97.10187	1.3
102.49335	0.7
105.07039	12.1
107.04971	4.0
107.08597	2.8
109.06526	3.0
109.10147	1.6
111.04471	2.1
111.08083	6.5
115.05444	0.9
117.07001	1.3
119.08594	11.1
121.06531	1.4
121.10172	4.4
121.10918	0.6
123.08074	1.3
125.09689	0.9
129.07010	6.7
131.08591	7.5
133.06494	2.5
133.10152	3.7
137.09612	2.0
142.07803	2.4
145.10133	0.7
147.08072	2.6
147.11705	6.8
149.09633	3.2
149.79965	0.7
157.10138	8.3
165.12816	1.7
175.11197	8.4
193.12244	17.4
205.12189	1.0
211.13332	3.0
229.33315	0.7
235.34462	0.8
249.14934	1.1
267.15924	61.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.1591
Annotation	Alliacolide
Peak:m/z	Relative Intensity
51.02391	0.7
53.03948	3.7
55.01879	1.9
55.05510	6.3
57.03442	18.2
58.00424	0.7
67.05507	10.5
69.03446	1.9
69.07075	1.7
71.05004	1.3
79.05498	10.6
81.03422	100.0
81.07056	9.8
83.04987	5.4
83.08624	14.6
91.05485	16.5
91.39896	0.6
93.07050	8.0
95.04971	19.0
95.08607	4.1
97.02910	1.5
97.06531	1.2
97.10188	1.4
98.21619	1.4
101.79338	0.7
105.07034	13.0
107.04958	4.8
107.08599	4.2
109.06537	3.2
109.10168	2.0
111.04486	1.5
111.08077	8.3
115.05461	1.5
117.07048	0.9
119.08582	9.8
121.06509	2.1
121.10126	4.8
123.08097	1.6
129.07011	9.8
131.08571	7.2
133.06548	3.1
133.10136	3.6
137.09669	0.8
137.48598	0.6
142.07777	1.8
145.10112	0.8
147.08083	2.6
147.11671	7.5
149.09615	3.1
157.10133	9.7
163.11244	1.3
165.12773	1.4
175.11179	10.6
193.12257	22.0
211.13229	3.5
229.45587	0.6
237.14931	0.7
249.14877	1.8
251.25168	0.6
267.15924	69.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.1591
Annotation	Alliacolide
Peak:m/z	Relative Intensity
51.26065	0.6
53.03948	3.9
55.01870	1.8
55.05514	7.2
56.26964	0.6
57.03440	21.0
65.03957	0.7
67.05508	10.9
69.03434	1.7
69.07069	2.8
69.56378	3.8
71.04982	1.2
79.05493	11.4
81.03419	100.0
81.07060	10.6
83.04974	4.2
83.08620	12.6
87.24497	0.6
91.05478	16.2
93.07050	7.1
94.11224	0.6
95.04970	20.8
95.08618	4.4
97.02893	2.1
97.06543	1.7
97.10187	1.8
98.98470	0.8
103.51546	0.6
105.07032	13.2
107.04982	4.9
107.08598	3.0
109.06522	3.2
109.10136	1.0
111.04449	1.2
111.08078	7.1
113.59631	0.6
115.05431	1.5
117.07039	1.4
119.04918	0.7
119.08574	11.0
121.06520	1.7
121.10146	5.7
123.08085	1.7
125.09572	0.8
128.06230	0.8
129.06992	6.8
130.66248	0.5
131.08568	7.9
133.06502	2.3
133.10152	2.8
137.09651	1.3
142.07776	2.0
145.10138	1.3
147.08076	2.1
147.11694	7.1
149.09602	3.5
157.10127	7.8
160.33189	0.7
165.12796	1.3
175.11201	6.9
193.12241	20.9
205.12100	0.8
211.13301	2.7
213.21674	0.6
249.14873	1.7
267.15912	60.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.134
Annotation	gamma-Glutamyltyramine
Peak:m/z	Relative Intensity
51.93858	0.4
53.03931	0.4
56.05032	1.0
59.20353	0.3
70.52530	0.4
70.52872	0.7
84.04507	23.8
85.02914	0.8
91.05486	1.8
93.07050	5.2
102.05518	0.7
102.52637	0.3
103.05470	2.1
108.05706	0.3
113.40529	0.3
121.06506	100.0
129.49483	0.3
130.05005	13.8
138.09143	18.3
149.39821	0.3
168.91202	0.3
204.10146	0.4
221.12852	4.8
231.35365	0.3
250.10765	16.5
267.13422	15.2
284.82104	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.1229
Annotation	12-Hydroxypterosin T
Peak:m/z	Relative Intensity
51.20842	0.9
51.28538	0.9
53.03942	2.6
55.01873	2.1
55.05513	5.1
55.64340	0.9
56.96554	1.7
57.03436	7.4
58.23197	0.9
59.04993	1.0
60.04519	1.9
67.05506	7.2
69.03428	3.5
69.07069	11.9
71.05006	1.4
71.52887	1.2
72.08154	2.2
79.05488	8.0
81.03423	34.2
81.07058	10.2
83.04984	4.1
83.08624	4.7
85.02932	1.7
85.06542	2.1
87.04446	1.2
88.04002	6.7
89.04320	2.5
91.05483	19.5
92.05825	8.1
93.07025	6.6
95.04959	10.4
95.08597	5.3
95.78542	1.0
97.02889	2.5
97.06522	2.6
97.10188	1.3
98.97581	2.6
99.08095	1.2
102.05546	10.9
103.05915	5.9
105.03386	3.7
105.07039	8.5
107.04927	3.1
107.08614	4.8
109.02882	2.0
109.06519	3.5
109.10166	1.7
110.03165	1.9
111.04456	2.1
111.08096	2.4
111.11742	1.7
115.05438	3.2
116.06258	1.6
117.07001	3.1
119.08572	6.9
120.04447	1.1
120.08092	1.0
121.06503	3.3
121.10146	4.2
122.07153	1.0
123.04414	2.2
123.08060	2.7
123.11803	1.1
125.09677	1.3
128.06201	5.6
129.07024	15.9
131.04942	2.0
131.08580	14.0
132.05675	1.3
133.06490	2.5
133.10094	2.7
135.08072	1.3
141.06973	5.6
142.07796	2.6
143.08582	3.2
144.05728	6.7
145.06511	2.9
145.10120	2.9
145.24927	0.9
146.07246	2.3
147.04424	1.4
147.08049	3.0
147.11705	7.3
148.06017	7.6
149.06358	4.0
149.09630	3.2
153.06931	1.8
155.06062	1.1
156.05763	1.3
157.06441	6.0
157.10129	3.5
158.07285	2.4
159.08049	21.7
160.05200	1.6
161.05980	3.2
161.09599	5.4
163.03934	1.4
165.12727	2.6
169.07666	2.2
169.10092	1.3
170.07283	4.0
171.08041	3.9
172.05180	1.5
173.05978	2.7
173.09700	1.4
174.06769	1.5
175.07550	3.2
175.11150	3.2
177.05408	2.1
185.13318	1.0
187.07545	11.5
189.05548	1.5
189.09109	7.0
191.07074	1.4
192.07848	1.5
193.12311	6.4
198.06679	1.4
199.07617	1.4
199.11449	1.1
203.07011	3.0
203.10709	1.3
204.07834	9.0
205.08618	2.4
207.08658	1.9
216.07791	2.2
218.09395	1.3
219.10179	4.8
221.11748	1.5
224.16455	3.4
231.10153	5.0
231.13754	1.9
237.11134	4.0
249.11244	100.0
249.15199	2.8
250.11525	1.2
264.07224	1.1
267.12094	10.8
267.15927	26.6
267.20889	3.6
267.23798	1.1
267.60132	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.1229
Annotation	12-Hydroxypterosin T
Peak:m/z	Relative Intensity
53.03946	2.6
55.01875	2.1
55.05515	2.8
56.96566	1.8
57.03441	3.3
57.07084	1.1
67.05510	6.0
69.03434	2.7
69.07063	3.1
69.17392	0.8
69.62025	1.9
69.62433	4.5
70.06612	1.6
71.05008	1.7
72.08154	8.0
79.05493	8.8
81.03428	9.8
81.07062	9.2
83.04990	2.5
83.08613	1.3
83.71122	0.8
84.96018	0.9
85.02919	2.5
85.06570	1.0
86.33633	0.8
91.05492	10.7
93.07043	8.3
95.04977	5.1
95.08616	5.0
97.02924	1.5
97.06569	3.4
98.20855	2.0
98.57558	1.1
98.97597	2.5
99.04505	1.3
103.05512	1.7
105.03399	21.2
105.04546	1.2
105.07040	11.6
107.04973	2.9
107.08599	6.0
109.02915	1.7
109.06516	2.4
109.10154	1.7
111.08118	1.9
115.05485	3.5
116.06288	2.1
117.07028	4.7
119.04978	1.1
119.08624	5.0
120.08160	2.0
121.02896	1.1
121.06539	2.7
121.10181	3.5
122.07205	1.2
123.04493	1.9
123.08114	1.6
125.09628	1.1
128.06242	6.0
129.07001	15.8
130.07803	1.0
131.04962	1.2
131.08572	22.3
133.06529	3.0
133.10132	4.9
135.08025	1.1
137.09650	1.3
141.07008	8.2
142.07860	3.0
143.08565	7.0
144.05722	8.0
145.02795	1.7
145.06555	4.2
145.10130	6.3
146.07347	2.2
147.04431	1.3
147.08109	2.2
147.11742	2.6
149.09676	1.9
150.06654	1.1
152.14371	1.2
153.05615	0.9
153.06998	2.3
155.08614	4.7
157.06461	6.4
157.10118	5.3
158.07330	2.0
158.99768	1.1
159.08057	24.1
159.11751	3.5
160.05299	1.4
161.05992	1.8
161.09659	7.7
165.06929	1.7
167.08543	1.2
169.07655	2.3
169.10103	6.2
170.07333	4.0
171.06866	1.1
171.07996	4.6
171.11768	4.0
172.05247	2.3
173.06079	3.9
173.09743	3.4
174.06871	1.8
175.07617	3.2
175.11232	2.5
177.05536	3.4
178.06395	1.5
181.10178	1.8
182.11049	1.0
183.10367	1.5
183.11693	7.2
185.09734	1.2
187.07550	14.5
187.11162	5.5
189.05505	1.3
189.09143	5.8
190.06316	1.0
191.07118	1.2
193.08659	1.3
193.10222	1.8
193.12335	1.2
195.11816	2.7
197.13284	5.7
199.07654	2.6
199.11192	1.1
201.12794	2.2
203.07112	2.8
203.14606	1.1
204.07867	9.8
205.08655	2.4
207.08836	2.9
207.11806	2.6
209.13246	1.2
211.11208	1.5
211.14845	5.0
216.07996	3.8
218.09373	1.2
219.10136	6.4
221.11517	1.3
221.13393	2.5
223.14909	2.0
225.12798	9.1
225.16321	9.8
231.10228	5.5
231.13918	1.6
237.11243	1.9
239.14449	3.0
239.18062	2.8
249.11234	100.0
249.16690	5.4
252.15221	2.6
267.11765	2.8
267.17587	61.2
267.24158	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.1228
Annotation	12-Hydroxypterosin T
Peak:m/z	Relative Intensity
53.03948	1.6
53.78878	0.8
53.89030	1.0
54.62743	0.9
55.01878	1.6
55.05501	3.1
56.96550	1.9
57.03436	6.4
59.05000	0.9
60.04523	2.0
60.05533	0.9
60.30728	0.8
65.18696	0.9
67.05507	9.2
68.51865	0.9
69.03419	3.4
69.07066	3.7
69.36513	7.6
71.04979	1.7
72.08132	2.2
73.61721	1.0
77.04698	0.9
77.13664	0.8
79.05502	7.0
81.03417	31.2
81.07063	10.7
83.04980	3.3
83.08604	2.9
85.02885	1.6
85.06543	1.3
86.42023	0.8
88.03996	8.7
89.04341	2.2
91.05480	19.9
92.05814	8.9
93.07035	7.9
95.04973	8.3
95.08604	4.8
97.02876	1.5
97.06522	2.0
98.04055	0.9
98.20704	0.8
98.97571	1.7
101.05982	1.0
102.05540	14.4
103.05891	5.2
105.03381	3.4
105.07024	10.2
107.04939	3.4
107.08586	3.3
108.08115	1.1
109.02880	1.6
109.06507	2.8
109.10141	1.0
110.03167	1.2
111.04394	1.5
111.08075	1.9
115.05455	3.1
116.06242	2.5
117.07027	3.4
119.08579	7.6
120.08089	1.3
121.06500	2.5
121.10117	4.0
123.08054	1.0
123.11681	1.2
125.09650	1.0
128.06210	5.1
129.06998	15.6
131.04913	2.0
131.08565	14.9
133.06485	2.8
133.10144	5.0
135.11748	1.3
141.07013	6.2
142.07759	2.2
143.08597	2.2
144.05702	6.9
145.06502	4.0
145.10130	2.2
146.07231	1.7
147.08063	3.1
147.11731	5.4
148.06058	7.3
149.06361	4.0
149.09622	1.6
153.07014	1.3
157.06516	4.0
157.10153	2.9
158.07260	1.4
159.08058	19.7
159.11823	1.1
161.05986	2.3
161.09695	4.6
161.13219	1.3
163.03923	1.2
163.11082	1.8
165.12746	1.4
167.07028	1.1
169.07639	2.5
170.07234	4.6
171.08055	3.3
171.11676	1.2
172.05127	1.6
173.06007	4.9
174.06723	2.2
175.07620	2.5
175.11171	3.3
177.05467	1.7
184.56265	0.9
185.06009	1.3
187.07518	13.8
189.05441	1.5
189.09116	10.0
191.07033	1.3
193.12215	7.3
198.06898	1.5
199.07509	2.6
203.07019	3.8
204.07816	8.3
205.08560	2.4
216.07773	3.0
218.09332	1.3
219.10181	6.9
221.09851	1.7
221.11752	2.5
224.16451	3.7
231.10278	6.0
234.09010	1.2
237.11188	3.0
249.11223	100.0
267.09561	1.6
267.12088	9.5
267.15906	23.6
267.20847	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	266.1613
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03963	0.5
55.05515	0.5
56.96564	1.2
59.04984	0.8
61.02928	1.2
65.86292	0.4
69.03406	0.8
70.79955	0.5
70.80267	0.7
71.04994	2.3
77.65759	0.4
79.05477	0.9
81.03415	0.8
81.07059	3.9
84.04501	0.7
91.05505	0.7
94.04052	1.3
105.03377	0.5
109.02848	2.4
119.03527	2.0
129.48654	0.4
130.05095	0.5
136.06189	100.0
136.87526	0.5
137.04619	1.3
145.02863	0.9
150.07704	0.6
163.03963	0.5
177.05437	3.1
178.05853	0.5
183.59454	0.4
194.27179	0.4
213.04216	0.6
222.04712	0.6
231.01741	0.9
234.11107	1.0
234.13503	18.7
249.02766	0.6
266.16119	59.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.1089
Annotation	Unknow
Peak:m/z	Relative Intensity
50.28107	0.3
52.24469	0.3
53.03936	0.5
55.05505	0.8
56.96560	1.0
57.03422	1.0
62.26698	0.4
67.05495	0.9
69.03419	0.7
69.04550	4.5
69.07070	0.6
69.63188	2.1
71.04993	0.4
72.08162	5.3
79.05482	1.9
81.03423	3.4
81.04549	0.9
81.07032	1.2
83.06094	0.7
85.02902	0.9
85.06569	0.3
86.63849	0.3
89.08885	0.3
91.05502	1.9
93.04517	0.6
93.07038	1.0
94.96696	0.3
95.04953	1.3
95.06111	0.3
95.08598	1.7
95.37299	0.4
97.03979	0.4
97.06533	0.5
98.21413	0.6
98.97586	0.5
105.03402	5.7
105.07014	1.1
107.08608	0.8
108.05576	0.7
109.02843	0.7
109.04012	1.0
109.10134	0.7
109.93464	0.3
110.03179	0.4
110.07158	0.3
110.09737	0.3
117.06983	0.4
118.78502	0.3
119.08584	1.2
121.02905	0.3
121.04017	0.4
121.10180	0.4
122.06316	0.7
122.07159	9.1
123.04428	0.7
123.05469	0.4
123.08071	0.6
127.03925	0.4
128.06229	0.5
129.07001	1.1
131.08582	1.2
133.10152	0.7
134.07120	1.3
144.05716	0.4
145.06450	0.5
147.08025	0.4
150.06633	30.9
152.14314	0.4
157.06509	0.6
157.10130	0.4
158.05997	0.7
159.08043	1.3
160.04030	0.4
160.07591	2.0
161.05974	0.5
161.09586	0.5
163.09824	1.8
163.11028	0.5
168.07668	0.6
171.08051	0.5
175.11211	0.5
177.05595	0.4
178.06068	0.4
181.08719	0.4
184.15633	0.4
186.05598	0.9
187.07484	1.2
193.07224	0.4
193.12187	0.6
203.08263	2.5
204.07877	0.6
207.08781	100.0
208.09485	0.8
210.08760	2.1
221.09236	2.9
231.10170	0.6
235.08315	0.6
246.11322	0.5
249.11250	6.4
249.23401	0.4
250.21475	0.6
267.10895	79.4
267.15741	3.9
267.24283	1.7
268.11215	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	266.1388
Annotation	Alachlor OA
Peak:m/z	Relative Intensity
56.96545	2.0
69.27758	5.3
69.28168	1.2
76.86980	0.8
78.64436	0.7
79.16936	0.7
81.03374	1.3
82.84328	0.8
91.05481	1.3
95.25896	0.9
95.95068	0.7
105.07005	2.3
107.08562	1.3
107.88182	0.8
109.02873	3.6
118.06521	1.6
119.08591	1.4
121.08878	2.8
130.06490	0.9
132.08086	7.3
133.08885	17.5
134.08691	1.3
134.09651	19.2
145.08859	8.6
146.09677	5.1
148.11215	59.0
150.09142	1.6
160.11221	71.0
162.12784	9.3
164.10696	1.0
165.11520	10.9
178.12271	13.1
188.10701	1.5
192.13841	57.4
194.11736	1.6
206.11772	47.9
220.13333	100.0
238.14377	1.3
245.21085	0.8
248.12828	11.7
259.09634	0.9
266.13892	37.7
266.21222	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	266.1239
Annotation	N6-Methyl-2'-deoxyadenosine
Peak:m/z	Relative Intensity
50.94804	0.8
54.17805	0.7
55.05501	3.9
56.96566	5.0
57.03427	2.7
59.05006	1.2
67.05495	1.3
69.03411	1.8
69.36429	2.0
69.36832	4.7
70.06594	4.5
71.04977	3.6
71.08627	1.4
72.08152	5.0
73.02932	1.0
73.08471	1.3
79.05505	2.5
81.03403	2.9
81.07058	13.0
83.04993	2.0
83.08597	2.2
84.04481	1.2
84.08152	1.3
85.02895	1.4
85.06541	1.6
86.09718	4.5
87.00829	34.1
87.04460	1.4
89.03915	1.3
91.05488	1.4
94.04090	1.4
97.02885	1.8
98.97594	5.6
99.08095	3.8
103.03952	1.2
103.43368	0.9
105.01869	24.1
109.02879	5.2
109.05159	1.8
109.06548	5.2
109.07165	0.9
110.07126	1.1
110.97572	1.1
115.05494	1.1
116.98598	1.5
117.03386	2.6
117.09148	1.2
119.03551	3.2
119.04910	1.2
121.02846	2.6
122.02388	2.6
122.07193	0.9
123.04471	1.0
124.99159	1.5
127.03977	1.0
127.07566	11.8
131.63719	1.1
133.05055	1.3
135.04382	1.6
136.06190	97.5
137.04575	1.3
137.05992	1.8
138.05502	1.1
139.03925	1.0
143.00169	1.7
145.02832	6.7
145.05069	1.6
145.08575	4.3
146.03207	6.3
147.04407	1.3
150.00793	1.0
150.07753	100.0
161.01282	1.2
162.07759	67.0
163.03880	3.9
164.07040	1.0
177.05484	12.6
178.05812	14.3
178.17635	0.8
186.01859	1.5
186.51941	3.5
188.52426	1.0
195.02817	1.5
195.52461	1.8
196.03168	1.4
197.52797	1.3
198.02594	0.9
200.52748	0.9
203.09120	1.6
206.06833	0.8
207.06468	3.1
224.53532	1.6
225.03497	0.8
231.01846	1.3
231.08646	32.4
233.54083	2.9
234.04103	2.1
242.54652	3.4
246.04707	2.6
248.11401	3.4
248.15079	29.9
266.09982	2.0
266.12750	11.2
266.16122	94.2
267.03906	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	266.1023
Annotation	Nigerloxin
Peak:m/z	Relative Intensity
53.03953	0.8
55.01860	0.7
56.05029	0.6
56.96553	1.2
60.93915	0.3
67.05507	0.7
69.03419	0.8
69.07039	0.3
69.55407	2.1
70.06593	0.4
72.08160	0.5
73.02864	0.3
75.24046	0.3
77.03923	0.4
81.03422	0.5
81.04549	0.5
81.07047	0.6
84.04507	0.5
84.08115	0.6
85.02898	0.6
85.10143	0.4
87.00820	1.7
88.03984	0.6
89.03919	0.4
91.05482	4.3
93.07045	9.5
93.97730	0.3
95.04968	1.5
97.06464	0.4
98.13716	0.3
98.97585	0.8
103.05476	4.5
103.33591	0.4
105.01859	1.1
109.06512	0.4
109.10175	0.6
111.04417	0.4
117.03409	0.6
119.08551	0.4
121.06507	100.0
122.02450	0.3
122.07133	1.1
123.04480	0.4
123.07539	0.8
127.07563	0.5
128.61774	0.3
130.04988	0.4
131.08586	0.6
135.04459	0.9
136.06203	0.9
137.05954	0.4
138.09103	0.6
139.03925	0.6
143.00201	0.6
145.02798	0.4
146.06030	0.4
147.06799	0.7
148.07579	1.4
148.11288	0.6
150.07767	1.1
152.05721	2.5
159.08237	1.4
162.07793	1.2
163.03929	3.9
170.06158	0.3
172.95294	0.7
174.09079	0.4
176.10713	5.3
177.09210	0.6
182.99689	0.4
190.96333	0.5
201.00706	0.4
202.08636	25.0
204.10204	8.4
207.06465	0.7
231.08646	1.0
248.09236	13.1
248.12868	2.7
266.10004	1.8
266.11606	0.4
266.13815	2.2
266.16379	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	266.1235
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	2.3
55.05496	6.8
57.03427	2.9
69.03421	1.8
70.06580	2.0
70.77979	3.5
71.04991	5.1
71.08664	3.1
79.05476	3.4
81.03406	4.9
81.07060	24.7
83.04974	5.7
83.08631	7.1
85.06528	4.4
87.00832	100.0
89.55238	1.3
93.43179	1.4
95.87197	1.4
99.08088	7.8
101.06011	2.4
104.49125	1.5
105.01871	68.6
109.02886	18.4
109.06519	15.8
117.09138	3.7
122.06017	2.7
123.06801	3.7
127.07558	38.1
136.06148	2.8
138.05574	7.9
144.02531	1.6
145.08624	10.3
150.05490	7.9
150.07750	3.6
151.06270	4.2
162.07739	5.0
168.06573	20.7
169.07437	1.5
177.05449	4.5
203.09149	6.2
231.08644	100.0
266.13980	16.4
266.16379	2.2
281.11102	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.2528
Annotation	Linolenyl alcohol
Peak:m/z	Relative Intensity
53.03930	1.3
55.01847	1.1
55.05512	34.2
57.03462	2.0
57.07082	16.2
65.03927	1.3
66.00813	0.9
66.27287	0.9
67.05508	37.2
68.84091	0.9
69.07071	52.7
71.04988	3.7
71.08643	8.0
71.38286	2.1
79.05069	1.6
79.05495	16.6
81.03426	1.1
81.07057	45.3
83.04985	2.4
83.08624	39.4
85.06516	3.5
85.10181	4.8
91.05451	3.3
93.07047	23.4
95.04939	1.6
95.08611	43.8
97.06535	12.0
97.10171	26.7
99.08073	2.6
105.07009	2.1
107.08593	15.5
109.10156	20.9
111.08089	8.5
111.11726	9.1
121.10147	31.9
122.07154	3.9
123.11721	7.5
125.09631	2.0
125.13283	1.8
129.12827	1.0
135.10692	1.9
135.11694	26.3
137.13284	4.5
139.11159	2.5
144.04810	1.6
149.13261	13.7
151.14815	4.1
153.12674	1.0
163.14793	5.2
165.16385	5.4
177.16374	1.7
191.17882	1.2
196.96571	1.0
241.98763	1.4
247.24232	29.2
265.25275	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.2528
Annotation	Linolenyl alcohol
Peak:m/z	Relative Intensity
50.40532	1.0
53.03946	2.0
55.05515	39.3
57.03432	2.8
57.07084	20.8
65.03952	1.0
65.82947	0.9
66.84595	0.9
67.05509	38.6
69.07072	59.6
70.77372	2.8
71.04989	4.6
71.08627	9.0
79.05496	19.3
81.07063	50.2
83.04964	1.8
83.08625	44.7
85.06527	3.8
85.10173	5.1
91.05472	4.1
93.06484	1.9
93.07049	28.0
95.04937	1.2
95.08613	52.8
97.06534	12.6
97.10174	26.0
99.08096	1.7
107.08595	16.9
109.10162	24.8
111.08086	8.0
111.11723	10.5
113.09646	2.0
119.08570	1.7
121.10154	41.2
122.07146	3.4
123.11715	9.8
125.09624	2.7
125.13277	2.6
132.10258	1.4
135.11699	30.2
137.13245	4.1
139.11212	2.5
145.10121	1.6
147.11694	1.1
149.13274	13.7
151.14850	4.8
153.12825	1.3
163.14842	5.3
165.16376	6.0
177.16451	2.5
191.17970	2.3
196.96507	1.0
205.19521	1.7
207.35915	1.0
241.98755	1.5
247.24222	33.0
256.26300	2.4
265.00330	1.3
265.19403	3.3
265.25281	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.1184
Annotation	Phenylacetylglutamine
Peak:m/z	Relative Intensity
52.56121	0.6
56.05018	1.7
65.03915	0.7
69.03413	1.4
69.55259	3.6
72.08156	3.1
81.04520	1.0
81.07052	0.9
83.06879	0.8
84.04504	43.8
85.02901	8.0
86.03224	2.1
86.09694	0.7
91.05479	32.2
93.07028	1.4
95.04988	0.9
95.08584	0.6
98.21507	0.7
102.05550	1.4
103.05471	0.6
105.03349	0.7
105.07018	2.2
117.03418	0.8
117.07032	1.3
118.06544	75.8
119.04939	17.1
119.08600	2.5
120.08123	5.9
121.02868	0.8
121.06472	1.1
122.07162	6.4
128.07040	0.8
129.07056	0.8
130.05013	8.6
131.08591	1.0
134.09654	4.2
135.08054	1.2
135.09987	8.9
136.07576	100.0
144.04781	1.3
145.02859	1.9
146.09683	0.8
147.08026	0.7
150.07793	1.1
159.08067	1.4
159.11639	0.7
161.09705	1.2
168.71696	0.6
174.09154	9.3
175.07594	1.8
175.11089	0.8
177.05479	3.3
187.11052	0.8
201.10278	0.7
201.12851	0.9
202.08624	16.0
203.10684	1.2
229.12294	0.9
247.13286	0.6
248.09171	12.3
265.12854	21.7
265.15485	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.1438
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03861	0.5
55.05421	1.0
55.05667	0.9
56.96491	0.5
57.03331	0.5
65.03850	1.1
65.04145	0.4
67.05389	2.5
68.86186	0.4
69.03311	3.0
69.03718	1.0
69.65086	2.7
71.04925	0.6
71.41505	0.4
72.08036	4.8
72.08484	0.8
79.05379	1.8
79.05820	0.8
81.06942	1.7
83.04894	0.9
85.02803	1.1
87.04403	0.5
89.03903	3.3
89.10678	4.4
89.47385	0.4
91.05363	5.3
91.05974	0.6
93.03333	1.0
93.06930	3.8
95.04859	4.1
95.08492	2.0
97.02788	1.6
97.06385	0.5
98.97519	1.0
99.04401	0.5
103.05382	0.6
105.07032	6.6
107.08592	2.1
109.02846	0.5
109.06528	3.9
109.10114	0.9
110.97469	0.5
111.04446	3.3
111.07985	0.8
113.02255	0.4
113.06011	2.1
113.63120	0.4
115.08596	1.9
116.06151	0.8
117.03389	15.5
117.07005	2.1
118.06468	0.9
119.04865	0.6
119.08588	10.0
120.08084	1.0
121.02766	1.9
121.06524	6.1
121.10056	1.7
122.07072	1.5
123.08035	2.9
125.05936	0.6
129.06932	1.5
131.08574	4.0
133.06395	1.3
133.10052	2.0
134.03592	0.6
135.07152	0.5
135.08051	8.9
136.07506	1.5
137.09560	1.6
139.03900	1.2
139.07489	0.7
141.06914	0.8
142.07730	1.5
143.08470	1.7
144.04713	0.7
144.05721	0.8
144.09309	1.1
145.02852	49.2
145.06465	1.3
145.10152	4.3
147.08055	4.2
147.11627	1.4
149.05974	6.3
149.09535	1.2
153.01891	0.6
153.07010	0.6
154.07813	0.7
155.08527	1.0
156.09344	1.1
157.06451	0.6
157.10168	2.7
158.07272	2.7
158.10919	0.5
159.08063	4.8
159.11699	4.4
160.08731	0.5
161.05937	0.7
161.09622	4.3
163.03925	0.6
165.09093	3.6
168.09325	1.2
169.10159	0.5
171.08073	1.0
171.11717	1.0
172.08847	2.6
173.09657	2.1
173.13278	1.6
175.07558	8.0
175.11172	4.5
177.05475	100.0
178.05751	0.5
181.06541	0.6
181.10315	0.5
183.11690	1.3
185.09674	0.9
186.10385	0.5
187.07593	0.6
187.11183	5.0
189.09167	1.1
189.12785	1.5
193.08557	2.1
193.10240	0.7
196.08833	0.9
199.11275	1.3
201.12726	4.2
203.10640	5.6
205.12297	1.0
211.11162	2.3
217.12251	3.6
219.13791	0.9
224.03555	1.3
229.12248	3.2
233.03809	4.2
235.13313	1.0
242.04591	1.2
247.13315	7.7
248.12851	7.0
265.15564	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	265.1118
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	0.3
54.03456	0.5
55.01857	0.5
55.47801	0.3
56.96567	2.5
57.03419	1.2
57.47931	0.3
59.04988	0.7
61.02906	1.0
69.03434	2.6
70.06561	0.4
70.98116	0.5
71.51446	0.4
72.08132	1.1
72.78526	0.3
73.02908	1.5
80.04997	1.2
81.03411	0.9
81.04542	12.7
82.99844	1.1
84.04469	0.6
84.08157	0.4
84.99581	0.4
85.02905	4.7
86.03234	0.4
87.04459	0.3
89.03889	0.7
91.03928	0.4
95.06055	0.6
97.02894	2.6
98.97588	6.2
99.04465	0.5
101.00883	8.5
103.00634	2.6
109.02901	0.8
110.97575	1.1
113.00890	0.4
113.02966	1.0
115.00641	0.7
115.02431	0.9
116.98623	2.1
119.01922	9.6
120.02017	0.5
121.01655	2.5
122.07153	100.0
126.03732	1.0
126.82719	0.3
127.02420	1.3
127.03934	1.9
128.98647	1.1
131.01900	1.3
133.01663	1.5
133.03491	1.3
134.99684	0.7
135.04433	0.8
136.06194	0.6
137.03029	0.7
139.02429	1.5
143.00217	0.4
143.01894	4.9
144.04781	26.6
144.98122	0.8
145.01624	3.8
145.03481	1.6
145.04951	0.7
146.46321	0.4
146.99770	0.4
147.03204	0.5
155.01924	1.3
156.02075	0.8
157.01697	1.3
157.03481	6.7
158.99689	0.6
161.01338	0.5
161.02977	5.3
162.03105	0.7
162.99217	0.4
163.02736	6.4
163.03951	3.0
164.04265	0.8
171.03313	0.4
172.97659	0.5
173.03000	1.2
174.03168	0.9
175.02737	2.6
175.04547	3.4
177.00771	0.7
179.02260	0.4
181.05672	0.5
183.55261	0.4
184.03178	1.8
184.04669	0.4
185.03009	0.7
186.99202	0.4
187.02872	0.9
187.04541	0.6
189.04338	0.4
191.04254	0.8
192.55547	0.4
193.03835	1.2
200.04457	0.4
203.04079	0.4
205.00264	2.6
205.03853	2.0
205.05685	2.6
214.05713	0.6
218.99770	0.4
219.02029	1.1
223.01364	1.4
223.04832	0.6
223.06723	4.2
237.07179	0.6
241.07784	0.7
242.05170	0.5
245.05016	0.8
246.05347	1.4
247.01456	1.4
247.04588	0.5
247.06752	1.2
261.03226	0.6
265.07813	28.7
265.11292	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	264.1232
Annotation	Acanthomine A
Peak:m/z	Relative Intensity
56.96562	0.4
57.03436	4.3
62.99400	0.4
70.06585	0.4
70.16500	1.3
71.01361	1.8
83.24766	0.4
85.02910	64.1
89.03912	0.5
91.05490	0.9
93.05726	0.4
94.63377	0.4
95.01302	0.5
96.63529	0.4
103.03941	0.7
105.07053	0.7
113.02393	1.8
117.03397	0.5
117.07022	1.4
118.06547	8.6
119.07329	8.7
128.07086	2.4
129.07140	0.4
131.03404	4.6
132.08095	1.0
134.09657	100.0
140.78247	0.4
145.02844	0.8
160.11299	0.5
163.03932	2.8
174.09085	0.5
177.05467	1.2
204.10225	0.5
218.08238	0.6
231.24962	0.4
246.11220	0.7
249.03041	0.5
261.48248	0.4
264.12317	90.6
265.12976	0.5
281.95309	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	264.1231
Annotation	Acanthomine A
Peak:m/z	Relative Intensity
54.16843	0.5
55.05512	5.9
56.05034	0.7
56.96580	1.0
57.03442	2.7
66.85078	0.5
67.05495	0.9
69.07080	0.6
69.70345	1.2
69.70754	1.5
70.06587	1.3
71.01359	1.1
71.05008	0.5
72.08195	1.0
74.73315	0.4
79.05475	0.9
81.03467	0.4
82.06581	35.7
84.04522	1.0
84.08156	0.6
85.02908	43.1
86.09695	0.5
87.04481	0.8
91.05496	1.3
95.34258	0.5
98.21422	0.6
98.97569	0.5
100.07636	1.8
100.74236	0.4
103.03939	1.3
105.03403	0.5
105.07012	0.8
107.04961	0.5
107.08632	0.5
113.02393	1.1
113.43504	0.4
116.98673	0.5
117.07022	1.0
118.06526	7.4
119.07327	5.9
119.09997	0.5
120.08067	0.6
124.99162	0.6
128.07082	100.0
131.03406	2.9
132.08090	0.8
133.02896	0.7
134.09654	68.6
135.04442	0.8
136.07582	1.3
143.00121	0.8
150.27637	0.4
160.11201	0.6
161.01289	0.5
163.03923	3.6
164.13637	0.4
177.05484	3.3
218.08081	0.5
233.08125	1.0
236.12883	1.0
246.11319	0.6
264.12305	73.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.237
Annotation	Farnesyl acetone
Peak:m/z	Relative Intensity
53.03939	1.6
55.05239	0.8
55.05507	12.4
57.03414	2.0
57.07077	10.3
59.05007	0.8
65.03929	2.1
67.05505	69.1
69.06734	1.0
69.07072	14.4
71.04978	1.0
71.08629	5.6
74.03475	0.6
79.05492	16.2
79.19567	0.8
81.07056	84.4
83.04957	2.1
83.08621	13.7
85.06523	3.4
85.10190	3.7
91.05483	12.2
93.07053	19.2
95.04963	1.7
95.08610	72.0
97.06533	7.3
97.10175	7.0
99.08092	5.3
102.67500	0.7
104.99242	3.6
105.07034	8.7
107.08595	13.4
109.06509	1.2
109.10159	41.3
111.08080	5.2
111.08743	1.0
111.11743	1.5
113.09663	4.2
119.08588	11.9
121.10153	17.2
123.08054	2.3
123.10830	1.3
123.11711	20.1
125.09624	1.2
127.11179	2.2
133.10139	14.9
135.11688	10.2
137.09612	1.8
137.13252	8.0
141.12723	2.7
147.11685	9.5
149.13261	9.5
151.11189	1.6
151.14824	9.0
155.14294	3.3
161.13274	12.0
163.14828	11.0
165.12711	1.3
165.16409	9.5
167.14319	1.1
170.70432	0.8
175.14844	8.6
177.16405	2.0
179.17967	4.6
181.15927	1.9
189.16379	3.3
203.17963	1.3
207.17287	0.8
217.19560	1.5
224.32878	0.8
224.49231	0.7
224.95839	0.8
245.20078	1.4
245.22650	43.8
263.23706	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	263.2371
Annotation	Farnesyl acetone
Peak:m/z	Relative Intensity
53.03932	2.9
55.05273	1.4
55.05512	16.2
57.03423	1.5
57.07076	12.2
65.03947	2.9
67.05509	86.1
69.07069	14.8
69.25879	1.2
69.26221	10.9
71.04973	2.3
71.08621	5.4
79.05496	22.0
81.07064	100.0
83.04986	1.8
83.08629	16.0
85.06541	4.3
85.10201	2.0
91.05495	17.4
93.07050	23.9
95.04985	3.0
95.08615	87.4
97.06531	8.5
97.10181	7.4
99.08109	6.0
104.99291	17.8
105.07026	12.8
107.08600	17.7
109.06514	2.5
109.10166	48.1
111.08076	4.7
113.09650	2.4
119.08595	14.1
121.10155	18.7
123.08061	3.9
123.11711	20.2
125.09573	1.8
127.11170	1.6
131.08582	1.5
133.10152	16.7
135.11736	9.7
137.09628	3.3
137.13252	7.5
141.12767	2.7
147.11732	11.1
149.13272	9.5
151.11226	2.1
151.14830	8.0
155.14351	1.9
161.13286	11.2
163.14847	8.3
165.16411	10.0
175.14867	8.7
177.16373	1.5
179.17967	3.5
189.05606	1.3
189.16451	3.7
207.17412	1.4
245.22676	40.0
263.14499	2.7
263.23718	97.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.237
Annotation	Farnesyl acetone
Peak:m/z	Relative Intensity
50.33724	1.0
53.03926	2.5
53.44012	1.2
54.25425	0.9
55.05507	13.1
56.96555	2.6
57.03421	1.2
57.07076	12.7
65.03933	1.8
67.05505	83.4
67.63229	1.0
69.06732	1.4
69.07070	16.7
71.04954	1.5
71.08633	7.9
71.52296	1.6
79.05489	20.9
81.07056	100.0
83.04989	1.1
83.08621	14.0
85.06535	4.5
85.10167	2.6
91.05488	18.5
92.54666	1.1
93.06484	1.9
93.07045	24.9
95.04967	1.4
95.08608	83.7
97.06528	7.6
97.10147	8.3
99.08070	5.7
104.99274	24.6
105.07017	10.5
107.08595	18.6
109.06525	2.5
109.10155	46.1
111.08074	3.9
111.11732	1.8
113.09637	3.6
119.08588	15.2
121.10140	19.9
123.08039	2.3
123.11703	23.4
125.09641	1.8
127.11161	2.4
131.08525	1.2
133.10118	15.9
135.11700	11.9
137.09618	2.9
137.13255	7.1
141.12723	2.3
143.08545	1.7
145.10173	1.0
147.08035	1.2
147.11697	9.7
149.13268	8.5
151.14810	9.1
155.14291	2.6
157.10129	2.2
161.13257	12.6
163.14796	8.4
165.16385	9.9
175.14841	8.3
179.17947	4.1
181.15886	2.2
189.05334	1.2
189.16388	4.3
199.06419	4.8
203.17924	2.1
207.17467	1.1
217.07498	5.0
217.15836	2.6
217.19484	2.5
233.13138	1.5
245.18930	1.4
245.22650	39.0
263.18274	5.3
263.23700	90.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.1389
Annotation	L-phenylalanyl-L-proline
Peak:m/z	Relative Intensity
55.01868	0.6
55.05503	0.9
56.96559	1.3
60.87563	0.5
67.05501	0.7
69.03436	0.6
69.07084	0.6
70.06595	30.9
71.52370	0.5
73.25455	0.5
79.05495	1.1
81.03420	0.9
81.07067	0.5
83.04974	0.7
84.08126	1.0
85.02926	0.6
86.09719	0.8
91.05475	1.7
93.07060	2.4
95.08601	0.9
98.97590	0.6
102.09151	0.5
103.05461	7.2
105.07021	0.6
115.66010	0.6
116.07098	80.9
120.08111	100.0
121.10193	0.5
127.86056	0.6
129.06984	0.5
131.04915	1.6
136.04164	0.6
145.02831	0.8
147.04362	0.6
157.10263	0.7
160.05272	0.5
161.03029	0.7
163.02632	0.8
163.03894	1.3
165.02634	0.7
177.66754	0.5
189.05537	2.2
203.07149	0.6
205.04959	0.9
219.02022	0.6
245.12973	1.0
248.09851	1.9
263.01849	0.8
263.04608	1.1
263.09344	3.0
263.14008	20.3
280.50879	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.1392
Annotation	Unknow
Peak:m/z	Relative Intensity
51.14402	0.7
52.53050	0.7
55.05507	0.8
56.05068	0.9
56.96600	3.0
57.03466	1.1
66.04691	0.8
67.05525	1.0
69.03467	2.0
70.06619	2.0
71.52383	0.8
79.05532	0.9
84.04504	15.3
84.04960	1.0
84.08160	1.1
84.96030	0.7
85.02908	23.3
86.06077	0.9
86.09721	1.2
87.04519	0.9
88.74291	0.8
89.03960	1.6
91.05511	2.1
93.07064	0.8
95.01346	1.9
98.97601	4.0
102.05548	11.3
105.07048	0.9
106.94836	0.7
112.03981	2.2
112.99129	0.8
113.02423	1.0
116.98650	2.3
117.07030	1.2
118.06519	4.3
119.07327	2.0
120.08114	5.1
129.07040	1.0
130.05009	100.0
131.96684	3.9
132.08125	0.8
134.09656	94.0
135.04416	1.8
135.28561	0.6
139.03935	0.7
143.00185	0.8
146.06113	0.8
147.04398	1.2
150.97029	0.9
153.01820	2.7
154.06581	0.7
158.99684	2.0
160.11201	1.3
161.01260	0.7
161.02837	1.3
163.03909	9.3
164.04457	0.8
169.03549	0.8
177.00645	1.5
189.05432	2.1
200.07104	0.9
203.06967	1.1
225.83151	1.0
235.10808	0.9
245.12836	1.2
246.07626	1.5
246.11122	2.3
263.03485	2.2
263.09402	2.7
263.13950	21.3
263.16614	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.0613
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03441	0.9
71.52181	1.1
72.04530	0.8
73.02949	1.1
78.03725	0.6
82.99816	4.2
85.02937	0.6
86.99351	1.3
89.03934	1.5
97.02945	1.3
98.97613	1.2
101.00885	33.2
113.00882	10.6
114.05546	0.9
117.03426	1.4
117.70509	0.6
119.01922	25.8
122.06088	0.9
124.24860	0.7
127.02443	0.7
131.01917	17.1
131.02850	1.2
133.03459	1.0
135.04417	1.5
137.00829	0.8
137.02956	1.2
143.01903	69.5
145.02771	1.4
145.03601	0.9
148.51381	0.6
149.02959	1.5
155.01897	14.4
157.03464	2.0
161.02960	100.0
163.03947	8.1
167.01949	1.7
169.03503	1.1
173.02966	32.9
179.03996	1.4
185.03001	6.0
191.04013	19.3
197.02899	2.7
203.04015	31.0
205.05696	0.6
215.03964	1.8
221.04990	4.8
223.04726	1.0
233.05054	4.0
245.04959	1.8
263.02911	2.8
263.06070	33.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.0165
Annotation	Unknow
Peak:m/z	Relative Intensity
51.98410	1.7
52.20002	2.2
60.35662	1.7
62.29779	1.9
70.17043	3.7
70.17442	4.7
74.11656	1.9
82.99855	5.3
83.53845	2.0
94.46448	1.8
94.93011	5.2
101.00889	35.1
101.01524	3.9
104.10738	1.9
113.00862	13.1
119.01934	24.3
131.01909	22.0
133.03430	3.7
135.65106	2.1
137.02992	2.3
143.01897	72.7
149.02995	2.3
155.01913	17.5
161.02959	100.0
167.01913	2.4
171.20631	2.2
173.02974	41.2
184.21135	2.8
185.02959	6.4
191.04030	21.4
203.04024	24.5
214.05838	2.0
221.05083	3.7
262.91232	46.3
263.01761	18.6
263.06113	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	262.1803
Annotation	Phlegmariurine A
Peak:m/z	Relative Intensity
51.64731	0.3
53.19614	0.3
55.05508	0.6
56.96281	0.3
56.96566	0.7
57.07076	0.7
60.64708	0.3
65.10219	0.3
65.91171	0.3
67.05505	0.7
69.03427	0.6
69.07081	0.5
70.06595	3.1
70.11794	1.1
71.08647	0.6
77.15252	0.3
79.71674	0.3
81.07064	1.0
82.99831	0.3
83.05000	0.4
87.04471	26.9
88.07638	1.0
91.05482	0.4
93.07043	0.4
95.08616	0.7
97.02926	0.4
97.06535	0.3
98.20883	0.3
98.97585	0.6
101.00890	0.7
103.05531	0.3
105.07026	0.5
106.08652	0.3
107.08597	0.3
109.06528	0.3
109.10168	1.2
110.41569	0.3
114.09185	0.6
114.21681	0.3
118.06543	9.5
119.01912	0.7
119.07332	0.5
121.06505	0.4
121.10213	0.4
123.08070	0.8
132.05286	0.3
132.08089	2.3
132.10239	2.4
133.08890	1.2
133.10057	0.3
134.09637	0.7
135.84267	0.3
136.06194	0.4
138.76500	0.3
143.01910	0.9
144.02077	0.3
146.09650	2.7
149.13326	0.3
150.06337	0.5
150.11301	2.0
151.11200	0.5
157.03487	0.6
158.99658	0.3
160.08441	0.6
160.11232	0.3
161.02939	0.9
176.14354	63.8
178.34741	0.3
187.00888	0.5
193.15906	2.5
195.10226	0.3
200.20110	0.4
202.12172	0.3
203.03955	0.4
211.33658	0.3
216.07391	0.5
218.21193	0.7
221.04675	0.6
229.01958	0.4
231.08873	0.5
244.06760	0.3
244.17412	0.3
262.18027	100.0
262.23767	11.4
263.18234	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	262.1803
Annotation	Phlegmariurine A
Peak:m/z	Relative Intensity
57.07076	2.6
58.78036	0.2
69.03423	0.3
69.19598	2.3
70.06593	4.5
71.08646	1.8
84.08138	0.4
85.05228	0.3
85.81110	0.2
87.04468	28.0
88.07632	4.9
91.05428	0.4
93.06995	0.4
97.02881	0.4
98.97575	0.4
102.09162	0.4
105.06993	0.2
106.08655	0.9
107.08600	0.3
114.09148	2.0
118.06542	10.1
118.08664	0.8
119.07333	0.5
121.06511	1.4
121.10145	0.4
126.71904	0.2
129.73253	0.2
132.08092	2.8
132.10211	7.7
133.08853	1.5
134.09610	0.8
139.03900	0.5
146.09656	3.0
147.10405	0.3
150.11259	7.0
160.11197	0.4
164.61763	0.3
176.14343	64.7
186.18417	0.4
200.20103	0.6
201.07875	0.4
218.21143	2.9
229.07521	0.3
230.11711	1.7
245.13913	0.6
262.18021	100.0
262.23767	43.9
263.18509	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	262.1651
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	2.8
55.01867	6.0
55.05516	61.1
56.05040	30.8
58.02711	2.0
58.02966	25.6
61.02917	4.4
67.05511	11.0
69.03426	4.9
69.07074	12.3
70.06601	14.0
71.52173	3.3
71.52528	2.7
72.04521	59.8
72.08138	3.1
73.05291	2.3
74.06071	7.7
76.03948	2.4
79.05503	10.4
81.07067	13.6
82.06569	4.3
83.04985	7.2
83.08627	22.4
84.04509	39.6
84.08156	3.7
85.02898	6.9
86.09713	14.7
91.05460	5.6
93.07030	6.6
94.69472	2.0
95.08604	6.9
96.04530	2.1
97.06560	3.9
97.10172	30.5
98.06020	2.4
98.97567	2.7
100.03971	9.0
102.05546	28.9
103.09490	2.5
105.03384	5.0
107.08576	7.3
109.10197	4.1
110.09711	3.0
114.09155	8.2
114.12819	31.6
117.07080	2.3
119.04928	2.6
119.08562	6.0
120.08096	5.3
121.06499	2.4
124.11225	3.0
125.09629	16.3
128.10754	2.2
130.08626	2.2
131.96666	4.4
137.09648	4.0
139.03920	3.2
142.12291	13.2
147.04420	3.9
154.12260	5.1
156.10178	5.2
158.06000	2.9
159.04419	6.8
164.07048	5.0
164.10696	5.1
172.13281	6.9
174.97316	3.4
180.13872	2.3
182.11780	11.3
183.12552	15.0
186.05501	2.7
200.12852	5.2
201.13608	13.3
208.13454	2.6
216.06602	4.9
216.12291	9.3
218.13870	30.0
226.14330	4.3
262.04510	3.2
262.07181	9.5
262.14246	11.3
262.16525	100.0
272.85370	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	262.0428
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96557	0.8
57.04544	0.8
58.99581	1.5
67.05502	0.4
69.88585	1.6
70.06599	0.4
70.99577	1.2
75.22941	0.3
79.05479	0.9
86.00655	14.0
88.02225	1.4
90.96777	0.7
91.05469	0.3
93.07075	0.4
97.06530	2.1
100.02201	0.5
105.04386	0.3
110.00635	1.2
110.07172	9.3
110.35261	0.3
111.01421	0.7
111.08016	0.3
113.01719	12.9
116.97071	0.4
119.04972	0.7
120.08099	1.0
121.10189	0.3
123.04482	0.5
125.08301	0.4
129.97835	0.6
131.04916	0.8
131.99385	2.2
132.05241	0.5
142.04333	0.9
143.99373	100.0
144.98907	3.3
145.00053	0.8
147.04439	2.5
166.08617	0.3
169.05446	6.2
171.97650	0.7
184.00006	0.5
185.00783	1.1
186.99959	11.5
197.01338	0.4
201.02623	2.2
216.13847	0.5
218.04187	6.0
221.04677	1.1
230.05266	1.6
239.05925	0.5
262.04297	4.1
262.10706	0.5
262.14453	1.0
262.17767	0.6
262.20294	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.2214
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.6
55.01865	1.6
55.05519	9.3
55.93806	1.0
57.03423	1.6
57.07074	3.0
67.05508	27.4
67.25975	1.1
68.44267	1.0
69.07070	9.2
71.05003	1.7
79.05496	36.8
81.07059	38.4
83.04969	1.0
83.08606	3.7
85.06528	2.4
89.19422	1.0
91.05482	18.2
93.07048	50.7
95.04962	3.1
95.08612	26.8
97.06516	2.4
97.10177	2.1
98.21539	2.0
99.08085	2.0
105.04461	1.0
105.07030	13.4
107.08603	31.4
109.06467	1.4
109.10173	12.2
111.08063	3.0
117.07018	5.3
119.08599	10.5
121.10146	33.4
123.08055	1.3
123.11758	4.7
124.06938	1.0
131.08571	10.8
133.10146	9.9
135.11699	24.8
137.09625	1.7
137.13260	1.6
145.10118	9.3
147.11707	9.7
149.13266	18.1
151.11241	1.3
159.11705	8.6
161.13261	8.6
163.14835	12.0
172.94229	1.0
173.13290	8.0
175.14842	4.2
177.16377	3.9
187.14803	4.0
201.16365	1.6
215.17935	2.3
233.22629	2.2
243.21098	23.8
261.12988	2.2
261.22153	100.0
271.62680	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.2215
Annotation	Dinortrixagone
Peak:m/z	Relative Intensity
53.03933	3.1
53.62383	0.8
54.49477	0.9
55.05512	11.5
55.82637	0.8
56.60587	0.9
56.96548	0.9
57.03424	2.1
57.07079	4.2
65.03931	2.9
67.05508	34.9
69.03419	1.0
69.06737	0.9
69.07070	12.5
69.99318	4.0
71.04988	2.1
71.08630	1.4
76.49707	0.8
79.05496	43.2
81.07059	43.2
81.53098	0.9
83.04984	1.3
83.08615	6.6
85.06532	3.9
91.05484	21.8
93.07046	67.1
95.04957	1.6
95.08611	33.1
97.06520	3.2
97.10165	2.7
98.21457	0.9
99.08080	2.5
105.04489	1.5
105.07037	15.6
107.08599	38.8
109.06510	2.0
109.10167	13.7
109.49436	1.0
111.08073	2.9
111.11667	1.0
113.09668	1.3
113.15015	0.8
117.07008	5.3
119.08580	17.7
121.10148	38.5
123.08025	1.1
123.11683	3.3
125.09713	1.0
131.08562	11.5
133.10129	12.7
135.10701	1.8
135.11694	32.3
137.09595	1.1
137.13232	1.1
139.11176	1.0
145.10136	12.7
147.11678	9.5
149.13263	26.3
151.11154	1.1
159.11697	8.9
161.13281	10.7
163.14819	17.2
165.12741	1.1
169.23563	0.8
173.13293	8.8
175.14836	4.5
177.16408	5.8
179.14272	1.5
187.14825	7.2
195.03410	0.8
201.16348	4.0
205.15909	1.8
215.17992	2.5
217.19569	1.0
233.22572	1.0
239.93147	0.9
243.18562	1.0
243.21083	27.4
261.13040	3.7
261.22141	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.2214
Annotation	Dinortrixagone
Peak:m/z	Relative Intensity
52.03686	0.4
52.17735	0.3
53.03935	1.8
54.75476	0.3
55.01887	0.8
55.05511	9.3
57.03429	1.0
57.07076	3.0
64.65890	0.5
65.03950	1.0
67.05506	30.1
69.07069	9.1
70.76534	0.8
71.04996	1.3
71.08640	1.8
71.64642	0.3
73.56509	0.4
77.03946	1.1
79.05495	40.7
81.07058	35.7
83.04998	0.6
83.08617	5.9
85.06533	2.4
85.10195	0.4
91.05482	21.0
93.07046	54.1
95.04987	2.8
95.08609	26.3
97.06524	2.8
97.10172	1.9
99.08093	2.7
100.17601	0.3
105.04529	1.0
105.07037	13.1
107.08598	32.9
109.06527	1.5
109.10162	11.1
111.08091	2.4
111.11691	0.4
113.09664	0.6
117.07021	5.1
119.06077	0.3
119.08589	11.6
121.06550	0.4
121.10146	32.0
123.08058	1.2
123.11723	3.8
125.09680	0.4
129.07047	0.4
131.08571	10.0
132.04463	0.5
133.10130	11.2
135.11693	26.8
137.09587	1.2
137.13254	1.5
139.11179	0.8
145.10123	11.0
147.11690	8.2
149.09639	0.9
149.13257	21.9
151.11160	0.7
151.14842	0.6
153.12764	0.6
159.11699	8.1
161.13255	9.7
163.11238	0.5
163.14821	16.3
165.12787	1.4
173.13261	8.7
175.14839	3.4
177.12811	0.5
177.16412	4.6
179.14319	1.2
187.14819	5.4
189.16426	0.8
191.14377	0.4
192.53905	0.4
193.16005	0.4
201.16422	2.2
203.17871	0.5
205.15836	0.8
215.17953	4.2
217.19656	0.4
219.17438	0.6
233.22604	1.1
243.07930	3.3
243.21085	27.4
261.09036	5.1
261.22134	100.0
271.02899	0.4
281.26300	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.2213
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	2.1
55.01862	0.8
55.05273	0.6
55.05511	8.7
55.69017	0.4
57.03431	0.9
57.07071	2.6
58.81079	0.4
65.03922	1.0
67.05505	28.5
69.07067	9.6
69.93615	1.5
71.05000	2.1
71.08606	0.7
71.33925	0.4
77.03931	0.8
78.04723	0.4
79.05492	36.4
81.07056	33.2
83.04950	0.8
83.08617	4.8
85.06535	2.5
91.04905	0.8
91.05479	18.2
93.07043	51.5
95.04942	1.9
95.08607	23.9
97.06543	2.5
97.10187	2.2
98.21501	0.5
99.08087	3.1
105.04530	0.8
105.07032	13.3
107.08593	33.6
109.06502	1.1
109.09479	0.7
109.10160	9.5
111.08083	2.1
113.09621	0.9
117.07018	5.1
119.08578	11.2
121.10144	33.2
123.08062	1.4
123.11692	3.7
125.09614	1.0
130.07722	0.5
131.08568	9.9
133.10135	10.3
135.08095	0.9
135.11691	25.7
137.09579	1.4
137.13197	1.0
139.11186	0.5
145.10130	12.0
147.11696	8.6
149.13255	20.6
151.11140	0.8
151.14833	0.6
153.12677	0.8
159.11700	7.8
161.13251	9.6
163.11250	0.5
163.14818	16.9
165.12708	1.0
171.11717	0.5
173.13252	8.4
175.14833	3.2
177.12770	0.7
177.16379	5.1
179.14314	1.4
187.14816	4.8
189.16364	0.9
201.16454	2.3
203.17957	0.5
205.15863	0.8
206.90857	0.4
215.17867	2.2
217.19652	0.6
219.17450	0.5
233.22559	1.1
243.21088	25.8
261.22128	100.0
262.22473	0.6
275.72220	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.2214
Annotation	Dinortrixagone
Peak:m/z	Relative Intensity
52.64509	0.3
53.03951	2.2
55.01862	0.9
55.05514	10.3
56.96555	0.6
57.03415	0.9
57.07079	2.7
65.03923	1.2
67.05506	28.6
69.03428	0.6
69.07068	9.6
71.04986	1.6
71.08622	1.0
73.24206	0.4
79.05494	35.8
81.07057	33.4
83.04958	0.8
83.08617	4.2
85.06537	3.3
91.04905	0.6
91.05482	17.8
93.07045	50.2
95.04958	1.6
95.08608	24.6
97.06530	2.1
97.10189	2.1
97.74263	0.4
99.08096	3.4
105.04498	1.0
105.06299	0.6
105.07030	13.3
107.04977	0.5
107.08595	32.9
109.06509	1.2
109.10161	9.6
109.10850	0.3
111.08081	2.5
113.09673	0.7
117.07005	4.1
119.07807	0.8
119.08591	10.1
121.10145	30.2
123.08062	1.1
123.11707	4.0
125.09618	1.0
129.06937	0.5
131.08560	10.2
133.10133	9.3
135.11693	26.0
137.09584	1.5
137.13255	1.3
139.11200	0.6
141.37276	0.4
145.10121	10.5
147.11679	9.0
149.02432	0.5
149.13264	20.7
151.11137	0.9
151.14812	0.7
153.12727	0.5
153.22798	0.4
159.11694	8.2
159.49898	0.4
161.11981	0.7
161.13258	9.3
163.11192	0.6
163.14828	17.5
165.12733	0.5
173.13269	7.4
175.14828	4.4
177.16411	5.3
179.14313	1.4
187.14830	6.2
189.16385	0.8
191.14261	0.6
193.15918	0.5
201.16405	2.5
215.18025	2.4
217.19505	0.5
219.17474	0.8
233.22565	0.9
243.21091	25.9
261.22141	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.2214
Annotation	Dinortrixagone
Peak:m/z	Relative Intensity
50.45727	0.5
53.03931	1.4
55.01849	1.3
55.05507	8.4
56.96561	0.7
57.03431	1.1
57.07083	3.1
65.03931	1.3
66.94400	0.6
67.05506	29.1
69.07070	9.4
71.04984	1.8
71.08618	0.9
71.23663	0.9
71.24016	0.7
77.03904	0.9
79.05495	38.4
81.07057	34.2
83.04971	0.6
83.08243	0.4
83.08634	5.2
85.06550	3.0
85.10188	0.8
91.04913	0.9
91.05482	19.5
93.07046	49.8
94.85226	0.4
95.04951	1.7
95.08611	25.7
97.06551	2.7
97.10154	2.5
98.97533	0.6
99.08080	3.0
105.04478	1.1
105.07027	13.4
107.08597	35.4
107.18716	0.5
109.06503	1.7
109.10159	10.4
111.08081	3.0
113.09652	0.8
117.07027	4.3
117.49081	0.5
119.06065	0.6
119.08585	13.0
121.10147	34.0
123.08082	1.3
123.11707	4.2
125.09597	1.3
131.08574	11.3
133.10127	10.0
133.11121	1.0
133.62436	0.5
135.11691	26.7
137.09634	0.9
137.13252	1.9
139.11127	0.6
145.10126	13.2
147.11690	9.2
149.09605	0.9
149.13258	22.0
151.11203	1.1
151.14809	1.0
153.12772	0.6
159.10493	0.8
159.11703	9.6
161.13255	9.1
163.11220	0.8
163.14819	15.1
163.16121	1.0
165.12712	1.0
171.11708	0.6
172.12370	0.5
173.13268	9.8
175.14853	4.0
177.12747	0.5
177.16382	4.9
179.14287	1.5
187.14810	6.4
189.16469	0.7
201.16296	2.6
203.17891	0.7
205.15913	0.7
215.17952	17.8
217.19530	0.6
219.17476	1.2
233.22549	1.0
235.31201	0.5
243.21094	26.4
261.12930	1.9
261.18677	6.7
261.22141	100.0
277.09122	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.185
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05496	1.6
56.96577	1.9
57.07054	0.5
67.05511	3.0
69.07070	2.8
69.84167	1.2
69.84587	0.8
79.05498	2.6
81.07059	4.7
83.04951	0.4
83.08604	1.2
84.96021	0.3
91.05479	2.5
92.22258	0.3
93.07048	6.4
95.04960	0.4
95.08607	4.6
97.06587	0.4
98.97583	0.9
105.07034	4.0
107.08603	6.5
108.08789	0.4
108.19801	0.5
109.10163	2.5
117.07016	2.1
119.08589	6.8
121.10139	4.7
123.04388	0.4
123.11655	0.5
129.07037	0.4
131.08568	3.9
133.10121	3.2
135.11708	2.0
145.10132	7.2
147.11719	2.0
149.02328	1.2
149.13232	1.6
157.10199	0.4
159.11711	6.6
161.13287	1.2
163.14842	0.7
172.12445	0.8
173.13266	7.4
175.14827	0.5
177.09062	0.7
177.16478	0.4
179.10689	0.7
186.14020	0.6
187.14786	1.3
193.12286	1.0
215.17961	100.0
216.18285	0.6
243.17374	0.7
243.21147	2.0
259.19525	0.4
261.13116	2.1
261.18518	43.1
261.22018	4.5
279.03967	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.185
Annotation	Hamabiwalactone A
Peak:m/z	Relative Intensity
55.05496	1.6
56.96577	1.9
57.07054	0.5
67.05511	3.0
69.07070	2.8
69.84167	1.2
69.84587	0.8
79.05498	2.6
81.07059	4.7
83.04951	0.4
83.08604	1.2
84.96021	0.3
91.05479	2.5
92.22258	0.3
93.07048	6.4
95.04960	0.4
95.08607	4.6
97.06587	0.4
98.97583	0.9
105.07034	4.0
107.08603	6.5
108.08789	0.4
108.19801	0.5
109.10163	2.5
117.07016	2.1
119.08589	6.8
121.10139	4.7
123.04388	0.4
123.11655	0.5
129.07037	0.4
131.08568	3.9
133.10121	3.2
135.11708	2.0
145.10132	7.2
147.11719	2.0
149.02328	1.2
149.13232	1.6
157.10199	0.4
159.11711	6.6
161.13287	1.2
163.14842	0.7
172.12445	0.8
173.13266	7.4
175.14827	0.5
177.09062	0.7
177.16478	0.4
179.10689	0.7
186.14020	0.6
187.14786	1.3
193.12286	1.0
215.17961	100.0
216.18285	0.6
243.17374	0.7
243.21147	2.0
259.19525	0.4
261.13116	2.1
261.18518	43.1
261.22018	4.5
279.03967	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.0872
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96563	2.8
65.03960	0.5
67.05518	0.7
67.52860	0.5
69.03423	1.2
70.06590	1.9
70.87977	1.2
71.05003	0.8
72.08173	3.9
74.02444	7.2
81.07069	0.7
83.05003	1.5
84.04510	0.9
84.08127	1.4
84.96044	0.7
85.02883	1.0
86.09705	4.3
89.03899	1.4
91.05501	0.7
95.04973	0.8
97.02892	0.7
98.97598	2.9
98.98538	0.7
107.04961	1.1
110.97581	0.7
111.04407	0.6
115.05442	4.9
116.98594	0.9
117.03368	1.3
118.06554	4.4
120.08091	0.8
121.06488	0.7
123.04437	2.3
130.06561	2.7
131.00121	0.8
133.96410	7.8
135.04410	1.5
140.05005	0.7
142.06528	20.6
144.08087	1.5
145.02780	0.6
145.07622	28.0
146.05908	1.0
148.06009	0.7
149.02350	0.5
151.03897	1.2
154.06476	0.8
158.06094	1.2
158.99570	1.2
160.07596	1.8
161.01306	0.7
163.03908	8.0
170.06021	95.5
171.06339	0.7
177.00746	1.1
187.03946	0.7
188.07076	100.0
200.06929	0.7
201.00723	1.1
215.03767	0.5
217.03522	1.0
217.09662	2.3
219.01685	1.1
233.04454	0.8
235.01099	0.7
261.03766	5.4
261.05942	1.8
261.08148	1.3
261.13062	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	261.0871
Annotation	Unknow
Peak:m/z	Relative Intensity
54.78986	0.5
55.05521	0.5
56.96561	1.1
60.95849	0.8
67.05500	0.6
69.03419	0.5
69.97092	2.0
70.06605	0.8
71.04994	1.0
72.08159	5.8
74.02445	8.3
79.05476	0.6
81.07057	0.7
83.04940	0.6
84.04513	1.1
84.08162	0.8
85.02915	0.9
86.09699	2.0
88.11715	0.5
91.05486	0.9
95.04955	0.6
97.02881	0.9
98.97576	1.4
98.98485	0.8
99.04420	0.8
104.98001	0.6
107.04937	0.7
115.05440	5.0
116.98647	1.0
118.06561	4.7
120.08139	0.6
128.98508	0.6
130.06540	3.9
131.04814	0.5
131.96738	0.6
132.04485	0.7
132.08133	0.6
132.10197	1.3
133.96402	18.0
135.04424	1.1
140.04799	0.6
142.06526	19.3
144.08096	1.6
145.02924	0.6
145.07616	25.6
146.06026	0.9
149.02310	1.2
151.03902	1.3
154.06477	0.5
157.07620	1.2
158.05989	3.5
158.99687	0.6
160.07562	1.8
162.01234	0.8
163.03925	4.9
170.06017	95.3
173.07248	0.7
187.03873	1.2
188.07074	100.0
189.00653	0.6
199.02492	0.5
208.03087	0.6
217.09761	3.1
219.01730	0.9
223.06514	1.0
235.01013	0.7
261.03812	8.3
261.05963	0.8
261.08411	1.1
261.12659	2.2
261.22409	0.6
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	13-Apo-beta-carotenone
Peak:m/z	Relative Intensity
53.03946	2.3
55.05516	14.5
57.07056	2.4
67.05501	13.1
69.07066	37.3
69.41727	10.5
71.04607	2.0
71.04995	29.8
75.86267	1.6
79.05484	8.7
81.07049	20.0
83.04961	5.1
83.08630	10.1
85.06543	20.2
91.05474	11.4
93.07047	17.6
95.04958	3.2
95.08605	19.4
97.06521	6.3
98.20734	1.7
103.73522	1.9
105.07024	30.7
107.08596	22.1
108.00707	1.4
109.06501	10.7
109.10152	16.0
111.08071	16.4
115.05408	1.7
117.07027	7.9
119.08580	65.9
121.10146	16.3
123.11704	23.5
125.21006	1.8
128.06168	2.7
129.06979	3.4
130.07782	2.4
131.08540	14.4
133.10136	36.0
135.08052	21.2
135.11694	5.4
137.09602	5.0
139.11330	1.6
142.07822	2.0
143.08565	8.4
144.09331	2.2
145.10120	35.5
147.08130	1.5
147.11691	22.8
149.09627	3.7
149.13316	2.0
151.11102	1.9
156.09375	3.4
157.10107	11.4
158.10928	1.9
159.11674	31.5
160.12514	4.3
161.09555	2.2
161.11995	2.8
161.13258	41.2
163.11121	4.8
170.10828	2.1
171.11676	19.1
173.13246	9.8
175.11453	3.5
175.14819	100.0
176.15620	6.2
177.12743	5.3
177.16382	4.5
185.13280	16.7
189.12758	7.0
189.16397	6.4
191.14192	2.4
199.14838	7.2
201.16382	23.5
203.14275	8.6
215.17830	7.9
217.19528	3.9
241.19467	17.2
259.20572	94.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.2058
Annotation	Bactacine
Peak:m/z	Relative Intensity
55.05502	2.2
57.07082	3.3
67.05508	5.2
69.07076	5.7
70.90777	1.6
71.04984	2.4
79.05482	2.7
81.07060	27.5
83.08633	1.4
85.06525	0.9
91.05492	4.0
93.07057	9.7
95.05000	3.3
95.08607	17.3
97.06526	0.9
101.79651	0.7
105.03355	0.8
105.07037	6.5
107.08603	8.3
109.06525	4.8
109.10161	8.3
111.08060	2.5
117.07008	1.1
118.51551	0.6
119.07796	1.1
119.08595	10.5
121.10164	4.9
123.08052	1.8
123.11712	65.4
130.07744	0.9
131.08585	3.3
133.10146	5.2
135.08076	13.0
135.11693	2.2
136.08855	0.9
137.09615	14.1
139.11142	0.8
143.08606	1.7
144.09383	0.8
145.10133	8.0
147.11690	5.3
149.09622	2.7
151.11133	0.7
153.20879	0.8
156.09222	1.0
157.10149	3.7
159.11679	6.8
161.13255	2.9
163.11211	2.4
165.12762	2.1
171.11670	4.0
173.13286	2.3
175.11221	1.4
175.14845	6.7
179.14302	0.7
185.13326	3.2
187.14790	1.3
189.12752	2.4
189.16388	1.2
191.14282	1.5
199.14751	0.9
201.16400	7.7
203.14320	3.0
215.17975	2.0
241.19502	5.6
259.20581	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.1694
Annotation	Phomallenic acid B
Peak:m/z	Relative Intensity
55.01870	2.3
55.05507	5.5
56.96561	3.0
57.03445	1.4
57.07076	3.5
58.07394	1.3
62.06065	1.3
66.54230	1.3
67.05503	11.7
68.94337	1.2
69.03386	1.2
69.07066	5.6
69.82569	1.3
71.05008	2.6
71.08620	1.7
71.52434	1.6
77.03983	1.2
77.14796	1.2
79.05499	14.1
81.07053	15.3
83.05006	1.6
83.08611	2.4
91.05482	23.3
93.07050	13.8
95.04980	1.4
95.08614	8.5
97.06548	6.3
97.41855	1.2
99.08099	1.4
105.07037	31.6
107.08598	15.5
109.10144	5.5
117.07024	8.7
119.08589	41.9
121.10107	7.3
128.06203	2.9
129.07027	4.3
130.07848	1.2
131.08578	19.2
133.10126	22.4
135.11710	3.0
142.07744	1.5
143.08586	8.9
145.10130	16.8
147.11678	15.1
149.13272	1.8
157.10124	11.7
159.11711	11.4
161.13260	10.9
163.03902	4.0
163.11151	1.5
169.10196	1.6
171.11690	16.2
172.94225	1.6
173.13281	8.6
175.14883	5.6
177.09126	11.6
183.11699	2.3
184.12350	2.3
185.13272	5.9
187.14798	3.0
189.09077	3.2
198.14049	3.2
199.14832	3.3
213.16396	100.0
215.06969	2.1
215.18010	1.7
231.17438	14.2
231.21083	2.1
241.19518	11.2
241.27110	1.6
256.16641	2.3
259.09637	1.6
259.16959	55.7
259.20599	61.9
259.28241	30.4
267.67685	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.1695
Annotation	Phomallenic acid B
Peak:m/z	Relative Intensity
53.03925	0.6
55.01851	0.7
55.05501	2.2
55.27318	0.5
56.96542	2.4
57.07057	1.1
58.13724	0.5
66.95642	0.6
67.05495	2.8
67.26716	0.5
69.03440	0.8
69.07053	3.3
69.89795	2.9
79.05493	7.2
81.07047	5.5
81.34768	0.6
83.04969	0.6
83.08620	0.9
89.92168	0.5
91.05475	5.4
93.07045	3.3
95.04966	1.2
95.08582	2.2
96.04471	0.8
97.06525	10.1
98.21570	0.6
104.66740	0.7
105.07037	7.1
107.08596	15.2
109.06528	0.9
109.10144	2.0
109.47499	0.6
117.03335	0.6
117.07022	2.0
119.08587	17.9
121.10106	1.5
128.06207	1.2
129.06992	2.1
131.08565	9.3
133.10114	1.8
135.04474	1.3
135.75217	0.6
142.07767	1.9
143.08566	5.7
145.10129	7.2
147.11667	0.6
155.08530	0.9
157.10126	6.9
159.08029	0.7
159.11722	2.8
161.02325	1.3
163.03931	5.0
163.07565	0.7
170.10945	1.2
171.11687	11.2
173.02391	3.4
173.13309	4.1
177.07628	1.2
177.09103	13.6
183.11699	1.9
184.12483	1.4
185.13167	3.8
189.09113	2.4
198.14050	3.7
199.14790	1.0
199.48238	0.7
201.16518	0.7
206.48390	0.7
213.16386	100.0
215.07010	3.2
215.17963	1.5
217.14261	1.1
228.12971	1.2
231.17433	14.7
239.13800	1.4
241.15811	1.4
241.19594	0.8
248.14203	1.6
259.09708	3.6
259.16946	56.1
259.20288	2.0
259.28180	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.1291
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93373	0.6
52.59092	0.7
55.05508	1.0
55.74500	0.6
56.05024	2.7
56.96569	10.7
60.04524	1.2
60.59383	0.6
67.05503	1.5
67.32896	0.6
69.03419	1.0
70.02956	0.8
70.06595	2.8
70.69920	1.6
72.08138	1.4
74.02445	80.4
81.04541	1.3
83.06104	1.1
84.04507	100.0
84.08130	5.8
85.02915	2.5
86.09703	2.8
86.20222	0.7
88.03999	5.3
89.03896	5.3
95.04981	2.3
95.06081	0.9
97.02889	1.6
98.97582	2.5
100.02215	0.8
102.05549	11.6
102.09190	1.9
107.04972	1.7
108.11486	0.7
112.07588	0.8
113.06044	4.2
114.05486	1.4
116.98674	0.7
117.03379	5.3
124.07587	2.2
124.08732	0.9
124.99119	4.6
125.09001	1.1
127.00721	1.1
128.01253	0.9
130.05009	41.8
130.08644	60.3
133.18690	0.8
135.04410	9.2
136.03905	0.8
136.04826	1.2
143.00154	5.0
143.08223	1.0
145.02858	8.4
146.02771	0.7
148.06064	8.3
150.09135	7.3
151.00648	1.4
152.10724	1.1
152.98575	1.1
161.01231	1.5
163.03914	53.6
164.04230	5.8
166.02817	0.9
167.00212	1.8
169.01747	1.8
169.08553	0.9
169.70981	0.9
170.99649	2.7
181.06157	5.4
185.01241	3.1
187.02809	1.0
188.02341	1.7
189.00706	1.6
196.09698	21.1
197.02817	2.5
197.53033	1.2
198.11388	0.9
203.02289	1.0
206.03365	7.8
206.53627	1.0
213.00677	4.1
213.05531	1.9
213.08710	1.7
215.03860	10.5
215.54068	1.8
217.54161	1.0
224.04420	2.8
224.54729	1.5
226.54668	4.7
231.01761	14.2
232.02164	0.8
235.55217	2.1
237.00816	1.1
241.11880	2.2
242.10223	9.3
243.21574	0.9
249.02852	10.8
250.03128	1.1
259.04068	1.6
259.12915	49.9
259.18744	4.3
267.03848	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	259.0814
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	7.0
55.01867	15.3
56.40606	3.0
56.96566	2.5
57.03428	6.7
60.10889	2.4
67.11956	2.2
69.03430	34.9
69.07076	4.1
71.04977	3.4
71.52355	4.0
71.52741	2.7
72.08141	2.2
73.02896	3.3
79.05503	6.9
81.03438	12.7
81.07056	8.6
83.05000	4.2
85.02913	18.6
87.04475	12.7
91.05479	7.4
93.07039	6.9
95.04991	3.9
97.02892	49.1
97.06541	9.4
98.97585	9.1
99.04486	4.9
103.05490	2.6
107.08586	4.6
108.49158	2.4
109.06525	3.0
109.10182	3.5
115.03961	12.2
115.05455	12.1
116.06294	2.6
119.04978	2.9
120.51145	2.5
123.04422	6.6
127.03894	6.1
128.06261	5.5
129.07007	3.7
131.04924	4.6
131.08578	7.8
133.04974	11.4
135.04359	3.2
141.07004	22.8
142.07692	2.9
143.08560	2.7
143.99382	4.4
144.05713	7.4
145.06516	5.1
147.04393	9.5
151.03911	3.7
152.06248	4.5
157.06485	5.8
158.99629	3.7
159.04459	4.6
159.08107	10.1
160.05330	2.8
161.05994	8.5
163.03969	5.4
167.08716	3.7
169.05026	7.0
169.06464	56.6
169.07799	5.7
171.08005	3.3
173.02505	2.9
173.05994	8.4
175.03938	24.6
175.07526	3.9
184.05165	3.5
185.05933	4.3
185.09642	2.8
187.07549	31.8
189.05458	3.6
189.09062	3.8
191.98343	2.5
193.04933	2.9
195.08109	6.8
197.05983	28.7
198.06827	6.6
199.07579	2.8
200.04707	59.5
201.05551	3.0
203.07045	3.0
213.09166	5.3
215.07054	100.0
217.08586	3.2
229.07220	14.7
231.10187	3.9
238.07739	4.9
241.08701	8.5
241.13383	3.5
259.09830	33.9
259.15018	5.7
259.18555	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	259.0426
Annotation	Unknow
Peak:m/z	Relative Intensity
53.94639	1.0
55.05491	0.8
56.21251	0.7
56.96564	7.1
59.07324	0.8
62.61792	1.0
67.05513	1.4
69.03418	1.4
70.06573	2.0
70.81086	2.0
70.81416	0.9
71.04973	0.9
81.04540	6.9
81.07038	2.8
85.02896	1.1
89.03918	3.2
95.04955	1.1
95.06111	4.8
97.02912	1.8
98.97598	1.8
111.05568	1.8
114.05535	1.7
117.03387	3.4
124.99165	4.8
125.07127	6.8
134.48138	1.0
135.04417	7.1
138.05492	1.3
143.00151	8.7
143.08173	4.8
145.02843	5.8
148.34215	0.9
152.98531	0.9
161.01129	1.9
163.03917	40.9
164.04230	5.9
169.01768	1.7
170.99640	1.5
179.09140	0.9
185.01239	3.3
188.02238	0.9
189.00729	1.2
197.02789	2.2
199.02277	0.8
203.02335	1.2
205.50279	1.0
206.03329	3.8
213.00710	2.4
215.03920	5.5
215.54039	2.3
221.52429	1.3
224.04404	1.7
226.54782	2.0
231.01788	6.0
231.06693	1.2
237.00734	1.1
241.15456	3.7
249.02783	8.1
259.04254	100.0
259.13211	2.0
259.16418	17.5
267.03885	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	258.1815
Annotation	Unknow
Peak:m/z	Relative Intensity
52.58506	0.4
53.03935	0.5
55.01862	0.7
55.05503	1.5
56.05014	0.7
56.96564	3.2
57.03439	1.9
57.42936	0.4
57.92483	0.3
59.04982	0.4
59.75904	0.3
60.08146	1.2
61.02923	0.8
69.03441	2.2
69.04537	0.7
69.88336	1.9
70.06585	1.9
72.08135	1.2
73.02902	0.6
79.05474	1.7
80.02915	0.4
80.05035	0.6
81.04540	34.2
81.07053	8.0
83.06104	7.0
84.04492	3.6
84.07633	0.6
84.08141	12.1
85.02900	4.1
85.06527	0.7
86.09702	2.6
89.03893	1.0
93.04551	0.6
94.06547	1.3
95.06093	11.7
95.06702	0.7
97.02867	2.1
98.97559	1.8
101.00872	1.6
101.10793	0.4
103.00661	0.5
104.10741	11.9
107.04947	0.5
107.06064	2.1
110.07169	3.9
110.97578	0.4
111.09153	0.4
112.05085	2.6
113.00858	0.8
115.02384	0.5
116.98597	0.6
117.03359	1.5
119.01910	2.7
119.03743	0.5
120.01993	0.5
121.01622	0.7
124.08716	33.2
124.99179	0.8
124.99979	2.6
125.07114	19.2
126.06630	1.9
127.00673	0.5
127.02389	0.6
127.03902	1.6
128.98622	0.4
129.02158	2.0
129.10243	15.6
130.05045	0.7
131.01891	0.9
133.03526	0.6
135.04381	2.3
136.06168	1.3
137.10748	1.9
142.09769	5.2
143.00121	0.9
144.01920	0.4
145.01668	0.6
145.02718	1.2
145.03589	0.8
145.04959	0.8
146.02885	1.2
147.03227	2.9
151.00648	0.4
153.06656	0.4
155.01877	0.6
157.03467	0.6
161.01193	0.5
161.02907	0.5
163.02737	0.6
163.03899	14.7
163.12289	2.7
167.05669	0.6
169.01662	0.5
170.99629	0.4
171.03128	3.7
173.03046	0.6
174.03035	0.6
174.99113	1.2
175.00732	0.4
175.04445	0.5
177.02315	0.5
179.11784	1.8
181.13303	2.1
184.07364	1.2
185.01204	0.8
185.02827	0.5
187.02814	0.5
189.00761	0.7
189.02556	0.8
189.04196	2.7
191.02090	0.5
193.00221	0.7
193.13333	0.6
194.04892	0.8
197.02881	0.7
197.12869	1.5
198.02646	0.8
199.04556	0.7
199.14432	3.9
203.00354	0.7
203.02159	0.5
206.03328	2.0
211.14409	1.4
212.13936	3.8
213.00690	1.1
215.03864	2.0
217.01910	1.1
217.03752	0.6
222.16022	10.8
223.14407	3.7
224.04468	1.1
226.54710	1.1
231.01674	2.9
232.03627	0.8
232.99573	0.6
233.03264	1.2
235.02930	0.9
235.06764	2.4
240.13416	0.9
240.17081	16.4
240.20728	0.8
241.15436	4.0
249.02783	2.9
253.07774	1.0
258.00406	0.6
258.11172	3.3
258.14713	6.9
258.18124	100.0
259.04254	0.9
267.03729	0.5
276.01068	0.5
276.07159	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	258.1258
Annotation	Unknow
Peak:m/z	Relative Intensity
50.97765	0.4
51.60070	0.4
55.01870	4.3
55.05494	0.8
56.96554	0.6
59.03032	0.4
67.05507	3.4
68.05032	4.1
69.03444	0.4
69.07052	1.4
70.02946	0.5
70.06582	1.7
71.04994	3.9
71.52114	0.5
72.38358	0.4
79.05490	2.5
80.05003	1.9
81.07058	2.6
82.06573	1.1
83.03708	1.1
83.04974	0.5
86.06019	0.5
91.05473	0.9
92.67263	0.4
93.07034	1.4
94.06573	1.3
95.04953	0.5
95.07332	1.0
96.04487	0.5
96.08118	1.1
97.06536	0.6
98.97562	0.5
104.04998	0.5
105.07027	0.6
106.06567	4.2
107.08585	1.0
108.08121	10.1
108.08819	0.3
109.05264	0.7
109.10153	1.3
118.06541	3.4
119.08562	0.7
120.08096	3.4
121.06542	0.8
121.08882	2.5
122.06030	12.2
122.09615	0.8
124.07597	0.8
132.08102	0.7
133.08893	1.0
133.10088	0.5
134.05975	0.5
134.09653	2.9
136.07582	16.5
140.07022	0.5
148.11198	1.7
150.12798	2.4
158.03728	1.0
160.24832	0.5
163.03931	0.5
163.13539	1.9
171.04462	15.7
171.05930	0.8
172.05246	0.9
176.14346	13.2
184.05257	0.5
186.12798	0.7
204.13879	3.8
212.11967	3.8
240.11499	100.0
258.12534	4.7
258.18002	0.8
258.22110	2.6
268.61053	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.1901
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	1.1
55.01852	1.0
55.05502	5.5
56.96555	1.4
57.03428	1.1
57.07074	1.9
59.51880	0.9
60.78252	0.9
65.03952	1.6
67.05508	16.2
69.07059	4.8
71.04974	3.7
71.16518	2.2
79.05499	9.4
81.07064	12.3
83.04999	1.0
83.08624	2.8
83.32465	0.9
85.06544	2.3
91.05486	11.7
93.07051	17.3
95.04961	4.1
95.08604	10.4
97.06503	2.1
98.97581	2.4
103.05492	1.0
103.60262	1.0
105.07038	28.3
107.08604	16.6
109.06496	6.2
109.10157	12.1
111.08071	3.6
115.05479	2.3
117.07021	17.0
119.08588	17.9
121.06499	1.2
121.10149	84.1
123.08101	2.4
123.11694	2.9
128.06200	4.1
129.07011	10.9
130.07768	2.8
131.08574	35.3
133.10126	8.5
135.08070	24.6
135.11722	3.8
137.09619	5.5
141.06972	6.6
142.07770	4.0
143.08560	19.3
144.09329	1.4
145.10133	38.5
147.07979	1.5
147.11627	2.3
147.84706	1.0
149.09625	4.2
153.06960	1.1
154.07822	1.8
155.08522	7.2
156.09343	2.8
157.10149	22.9
159.08098	1.5
159.11699	20.8
161.09656	1.8
161.13266	1.7
163.11137	2.9
167.08636	1.2
168.09344	2.4
169.10144	13.5
170.10939	1.0
171.11713	17.0
173.09650	2.0
173.13266	17.7
175.11269	1.0
177.12796	1.7
181.10138	1.5
183.11700	14.4
184.12401	2.7
185.13293	3.2
187.11137	3.0
187.14830	1.9
189.12746	1.7
195.11705	1.1
197.13268	10.3
198.14226	1.2
199.14812	28.3
201.12733	4.2
210.13876	1.0
211.14796	4.0
213.16385	10.2
214.17088	1.2
215.14401	1.3
215.17923	5.6
224.15785	1.2
225.87022	1.2
229.19525	1.4
239.17952	26.1
241.09869	1.1
257.11520	2.3
257.19016	100.0
257.26614	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	257.1901
Annotation	3-Deoxyestradiol
Peak:m/z	Relative Intensity
53.03939	1.4
55.01868	1.4
55.05504	3.3
57.07072	1.4
58.19315	0.8
67.05511	6.8
69.07074	4.3
70.56639	2.6
71.04990	3.8
79.05484	6.8
81.07053	6.6
83.04984	1.2
83.08612	2.9
85.06534	2.7
88.07613	0.8
91.05471	9.9
93.06483	1.3
93.07046	19.6
95.04976	4.4
95.08611	9.5
97.06525	1.5
99.08102	1.0
103.05477	1.5
105.07037	24.2
106.07780	1.0
107.08607	17.4
109.06528	7.9
109.10166	9.8
111.08068	3.0
115.05445	2.2
116.06203	0.7
117.07032	5.2
119.08591	22.9
121.10147	85.0
123.08083	3.7
123.11704	2.5
128.06235	2.5
129.07010	3.5
131.08566	12.3
133.07610	1.8
133.10114	9.7
135.08058	26.6
135.11710	4.2
137.09624	7.0
141.06964	1.4
142.07813	4.9
143.08562	16.3
144.09369	2.3
145.10124	16.3
147.07994	1.1
147.11726	4.5
149.09596	3.0
151.11148	1.6
155.08527	3.4
156.09290	3.7
157.08858	0.6
157.10129	18.5
158.10919	2.8
159.11688	16.0
161.09598	1.9
161.13258	2.0
163.11208	3.9
167.20123	0.8
168.09378	1.9
169.10138	9.1
170.10924	1.6
171.11728	10.6
172.12450	1.1
173.09651	3.1
173.11758	1.5
173.13255	22.0
175.11180	2.6
175.14847	1.6
177.12761	2.1
181.10104	1.1
182.10919	1.2
183.11678	9.7
184.12474	2.5
185.13263	2.6
187.11145	4.7
187.14793	3.8
189.12735	2.9
195.11711	1.0
197.13272	7.0
199.14830	35.4
201.12750	8.1
202.85283	0.8
209.13217	0.9
210.14059	1.0
211.14821	2.0
213.16394	12.2
214.17210	1.1
215.14319	2.9
215.17982	7.8
224.15536	1.9
239.17973	13.7
257.19012	100.0
257.26584	5.7
258.19510	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	257.1285
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.7
55.01863	0.9
55.05503	1.9
56.96549	1.3
57.03432	0.8
65.03939	3.7
67.05507	6.5
69.03416	1.5
69.07067	2.0
71.04983	1.1
71.08620	1.3
71.52599	1.2
74.55804	0.7
79.05486	2.7
81.03441	1.1
81.07052	5.1
83.04996	0.8
83.08601	1.4
85.06540	0.9
89.98775	0.9
91.05482	3.4
92.05006	5.0
93.07034	4.5
94.06564	1.8
95.04946	1.1
95.08617	3.9
97.06523	0.8
98.97569	2.8
103.05453	0.8
105.07024	3.0
107.08596	2.0
109.10158	5.3
116.71014	0.7
117.07032	1.4
119.08561	2.4
120.04455	2.3
121.10085	1.8
122.06027	2.8
123.11684	1.0
125.09628	0.8
128.06290	1.1
128.20886	0.8
129.07001	1.8
131.04907	1.3
131.08554	2.4
132.08061	1.2
133.10121	2.2
135.11699	1.8
136.07594	1.1
141.06999	1.5
143.08559	1.6
144.08110	1.6
145.09065	1.0
145.10115	4.0
147.11713	1.1
149.13274	0.8
153.01840	2.7
153.06982	0.8
154.06470	1.2
154.07683	0.7
155.07321	1.0
155.08533	1.8
156.08072	1.9
157.10109	2.6
159.09167	1.9
159.11711	2.1
160.07593	2.8
161.09666	1.1
161.13281	1.7
162.94499	1.0
163.08672	0.8
168.08063	2.3
169.08882	3.9
169.10135	1.7
170.09721	1.4
171.09137	2.1
171.10445	1.4
171.11728	1.8
172.07570	1.5
172.09933	2.6
173.13248	1.6
174.09145	0.7
175.14738	1.5
182.05875	0.8
183.06802	1.3
183.09209	1.4
184.07590	2.2
184.11226	5.5
185.07231	1.2
185.10735	4.2
186.09152	1.1
186.11511	7.9
187.08672	5.1
188.10664	1.0
197.08417	5.1
197.13232	1.3
198.09187	1.2
199.08469	4.3
199.14856	1.3
200.04585	1.0
200.09360	8.0
201.10262	1.4
201.13858	13.5
211.08612	2.1
211.12370	1.1
211.14978	0.8
212.10699	10.6
213.06676	5.7
213.10216	5.8
214.07365	0.9
214.10750	6.3
221.15317	1.1
227.08162	6.0
228.08893	10.7
229.04851	1.5
229.09888	13.2
229.13361	42.5
239.11844	0.9
239.18146	1.7
240.10133	1.2
241.09753	7.0
242.10542	8.1
257.04404	6.1
257.08170	5.7
257.12860	100.0
257.22607	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	257.0808
Annotation	Pinocembrin chalcone
Peak:m/z	Relative Intensity
51.02378	0.2
53.03948	0.3
54.60915	0.3
55.01872	0.3
59.25835	0.2
67.01865	2.3
67.98650	0.2
68.99777	1.2
69.03421	0.9
69.32503	1.3
69.32912	0.4
70.07227	0.3
70.90522	0.2
72.72494	0.2
77.03946	0.3
79.05490	2.8
83.01333	0.3
83.42268	0.2
91.05476	2.6
95.04965	0.6
97.02882	0.6
103.05468	20.6
105.03389	0.5
105.07012	0.4
107.04957	3.3
111.00808	0.6
117.06995	0.3
123.04437	1.6
125.02338	0.3
131.04929	41.0
145.06477	0.7
147.08003	0.5
148.17215	0.3
151.03906	1.8
153.01830	91.7
155.00038	0.2
155.04929	0.3
164.48642	0.2
171.02882	1.5
173.05980	2.2
179.03375	1.4
191.07065	0.7
215.07127	1.4
229.08524	0.3
239.07175	0.5
257.08084	100.0
258.08487	0.8
275.52890	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.1285
Annotation	Albonoursin
Peak:m/z	Relative Intensity
53.03946	1.7
55.01863	0.9
55.05503	1.9
56.96549	1.3
57.03432	0.8
65.03939	3.7
67.05507	6.5
69.03416	1.5
69.07067	2.0
71.04983	1.1
71.08620	1.3
71.52599	1.2
74.55804	0.7
79.05486	2.7
81.03441	1.1
81.07052	5.1
83.04996	0.8
83.08601	1.4
85.06540	0.9
89.98775	0.9
91.05482	3.4
92.05006	5.0
93.07034	4.5
94.06564	1.8
95.04946	1.1
95.08617	3.9
97.06523	0.8
98.97569	2.8
103.05453	0.8
105.07024	3.0
107.08596	2.0
109.10158	5.3
116.71014	0.7
117.07032	1.4
119.08561	2.4
120.04455	2.3
121.10085	1.8
122.06027	2.8
123.11684	1.0
125.09628	0.8
128.06290	1.1
128.20886	0.8
129.07001	1.8
131.04907	1.3
131.08554	2.4
132.08061	1.2
133.10121	2.2
135.11699	1.8
136.07594	1.1
141.06999	1.5
143.08559	1.6
144.08110	1.6
145.09065	1.0
145.10115	4.0
147.11713	1.1
149.13274	0.8
153.01840	2.7
153.06982	0.8
154.06470	1.2
154.07683	0.7
155.07321	1.0
155.08533	1.8
156.08072	1.9
157.10109	2.6
159.09167	1.9
159.11711	2.1
160.07593	2.8
161.09666	1.1
161.13281	1.7
162.94499	1.0
163.08672	0.8
168.08063	2.3
169.08882	3.9
169.10135	1.7
170.09721	1.4
171.09137	2.1
171.10445	1.4
171.11728	1.8
172.07570	1.5
172.09933	2.6
173.13248	1.6
174.09145	0.7
175.14738	1.5
182.05875	0.8
183.06802	1.3
183.09209	1.4
184.07590	2.2
184.11226	5.5
185.07231	1.2
185.10735	4.2
186.09152	1.1
186.11511	7.9
187.08672	5.1
188.10664	1.0
197.08417	5.1
197.13232	1.3
198.09187	1.2
199.08469	4.3
199.14856	1.3
200.04585	1.0
200.09360	8.0
201.10262	1.4
201.13858	13.5
211.08612	2.1
211.12370	1.1
211.14978	0.8
212.10699	10.6
213.06676	5.7
213.10216	5.8
214.07365	0.9
214.10750	6.3
221.15317	1.1
227.08162	6.0
228.08893	10.7
229.04851	1.5
229.09888	13.2
229.13361	42.5
239.11844	0.9
239.18146	1.7
240.10133	1.2
241.09753	7.0
242.10542	8.1
257.04404	6.1
257.08170	5.7
257.12860	100.0
257.22607	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	256.0583
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01851	5.6
57.03435	6.8
61.02982	5.1
62.42834	5.0
69.03419	9.9
71.16434	8.2
71.65055	5.1
82.01449	7.9
85.02882	11.6
89.03916	11.7
100.02489	11.3
101.00895	15.2
103.02435	9.3
110.07165	5.3
115.15020	5.2
117.03306	8.6
117.04012	14.0
119.01973	11.1
124.03960	85.2
127.02461	41.0
131.01854	6.5
135.04358	10.5
140.05515	10.2
143.01942	12.0
145.03497	89.9
146.02934	6.8
152.51468	4.7
158.06702	6.4
163.03853	48.8
166.03510	5.7
168.05019	11.5
169.03481	100.0
184.04610	15.6
187.04526	70.8
189.02454	6.9
189.04005	9.2
192.05074	10.0
210.02505	10.2
210.12413	11.6
212.04135	10.2
215.04019	9.8
233.01283	9.4
233.05086	16.0
238.05202	8.7
251.02399	7.1
251.06195	9.2
256.03043	9.3
256.06210	42.6
256.12955	17.7
274.04199	6.7
274.07773	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	255.1592
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	5.4
55.01870	5.8
55.05514	24.5
56.77168	1.8
56.96566	3.0
57.03439	44.4
57.07072	5.1
59.05010	3.0
62.66763	1.8
63.41238	1.6
65.03932	3.4
67.05511	80.1
68.87030	2.0
69.03424	3.2
69.07070	29.0
69.44154	1.7
70.20172	1.7
71.01350	5.1
71.04990	8.4
71.52441	2.7
79.05500	71.7
81.03430	9.9
81.07071	33.6
83.04978	22.5
83.08635	11.8
85.06548	8.9
85.70702	1.9
91.05489	33.6
93.07052	84.7
93.07640	4.3
95.04968	9.3
95.08588	13.9
97.06535	25.6
97.10184	18.4
98.98476	23.8
99.04438	3.7
99.08102	3.3
105.07030	15.3
105.32794	1.9
107.04909	2.8
107.08602	60.7
109.06512	3.1
109.10178	12.7
111.08083	5.0
117.07043	12.0
119.08588	20.2
121.06544	4.4
121.10130	15.5
123.08043	1.9
123.11727	2.7
125.09609	4.9
128.06169	3.2
129.06952	5.0
131.08546	5.4
133.10156	14.4
135.08051	5.5
135.11699	100.0
137.09598	2.7
139.11137	2.0
141.06952	2.7
142.07736	4.0
143.08572	11.1
145.10129	24.5
147.11703	4.1
149.02493	1.8
153.06963	3.8
153.12723	2.6
154.07808	2.3
155.08560	8.3
156.09338	7.7
157.10121	18.4
158.10907	2.8
159.08122	2.1
159.11678	9.0
161.09651	3.1
163.11206	18.9
165.54030	2.3
167.08588	4.5
169.10114	10.4
170.10948	5.3
171.11691	26.9
173.13239	4.0
175.11180	3.0
179.08582	1.9
180.09375	3.1
181.10136	7.5
181.12227	17.8
182.10986	9.4
183.11656	12.0
185.09637	4.0
185.13264	9.9
187.11230	4.4
193.10106	4.3
195.06569	2.2
195.11745	10.6
196.12460	5.1
197.13274	38.6
198.13966	3.6
199.11171	10.6
199.13028	2.7
207.11662	6.7
209.13142	3.1
211.14825	10.4
212.15601	7.9
213.12775	8.1
213.16362	15.9
222.14099	7.1
223.12199	3.7
225.12860	2.7
226.17267	1.9
227.17921	3.4
237.16449	14.0
240.15161	5.1
255.06503	5.1
255.15683	51.5
255.17554	70.0
255.21230	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	255.1592
Annotation	Unknow
Peak:m/z	Relative Intensity
50.07957	1.7
53.03944	5.3
55.01866	6.1
55.05514	25.1
56.96572	15.7
57.03439	40.4
57.07058	4.2
58.88719	1.6
65.03941	4.5
67.05508	71.1
68.99783	2.3
69.03433	4.8
69.07072	25.0
71.01347	6.9
71.05000	10.4
71.53088	3.1
72.08158	2.6
79.05498	70.2
81.03408	5.6
81.07063	43.1
83.04980	18.6
83.08628	9.1
85.02888	6.2
85.06538	8.0
91.05487	24.6
93.07049	75.6
95.04991	10.9
95.08604	21.3
97.06545	24.7
97.10185	19.7
98.97583	3.0
98.98479	26.9
99.04494	2.6
99.08089	4.7
105.07050	10.4
107.04959	2.3
107.08601	49.1
109.06530	4.2
109.10157	13.8
111.04432	4.6
111.08073	5.3
111.11707	2.7
113.05998	2.1
114.91360	1.8
117.07056	8.9
119.08579	16.3
121.06493	2.4
121.10165	16.4
123.08073	2.3
125.09602	6.5
128.00781	2.6
129.07018	2.0
131.08556	5.4
133.10100	10.4
135.08051	3.5
135.11697	100.0
137.09642	3.0
139.03889	16.1
140.04227	6.2
143.08566	3.8
145.10127	21.8
147.11703	3.0
149.13242	3.5
151.11252	2.5
153.07057	3.4
153.12778	4.7
155.08618	2.6
157.06497	2.2
157.10121	3.6
159.11682	4.2
161.13181	2.7
163.11169	18.0
169.10170	2.0
171.11655	2.4
173.13295	3.5
175.14835	2.4
177.05449	3.1
181.04916	2.4
181.06381	4.4
181.12254	22.4
185.13290	3.5
199.07626	4.1
199.14912	2.7
209.13342	2.9
213.05399	3.4
213.55128	2.9
219.13736	4.0
219.17584	2.7
222.05370	3.1
222.55708	10.1
227.06984	5.0
227.11873	3.8
231.06009	2.1
231.56198	4.3
234.09302	2.1
237.14815	4.0
237.18373	2.9
255.06526	36.2
255.11292	8.4
255.15808	59.8
255.21117	13.3
267.09201	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	255.1591
Annotation	Russulanorol
Peak:m/z	Relative Intensity
53.03933	3.5
54.34897	3.0
54.93541	2.5
55.01869	5.4
55.05515	26.6
56.96559	7.8
57.03441	48.6
57.07063	9.8
62.35692	2.9
67.05508	72.6
67.08021	3.2
68.56055	2.8
69.07072	24.0
71.01350	6.6
71.04996	8.7
71.52426	3.7
79.05077	5.0
79.05499	74.9
81.03403	9.4
81.07064	45.6
83.04985	23.9
83.08630	6.3
85.02895	3.2
85.06554	13.0
91.05479	22.8
93.07050	79.3
95.04967	10.2
95.08624	23.7
97.06540	21.2
97.10164	14.4
98.98473	38.5
99.04452	4.0
99.08057	3.5
105.07028	11.8
107.08598	48.5
109.06454	3.0
109.10153	12.3
111.08067	4.2
117.07008	10.6
119.08559	17.2
121.10165	13.6
123.08092	2.6
125.09679	6.9
127.03943	7.1
129.07028	3.6
131.08592	5.9
133.10120	6.0
135.08044	3.4
135.11703	100.0
138.79189	3.3
143.08603	4.7
145.10136	18.6
145.49210	2.6
153.12762	4.2
157.10150	4.8
159.11749	5.9
163.11255	13.0
169.10205	4.2
171.11711	2.9
181.10194	3.7
181.12236	16.0
182.09508	3.4
185.09590	3.2
199.11452	3.4
204.83904	3.3
237.16388	3.9
255.06558	10.2
255.15634	75.6
255.21098	13.1
255.25070	5.6
256.26328	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	255.063
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	2.2
56.96553	1.8
57.03426	3.9
61.02908	1.8
62.68564	0.9
68.37185	1.1
68.53849	0.9
69.03434	3.0
70.06583	4.2
71.01341	1.4
71.51189	1.4
73.02898	4.6
80.05001	2.6
84.08130	1.6
84.91207	1.0
85.02892	3.3
87.04467	1.0
89.80378	1.0
91.39078	1.0
93.25546	1.1
94.06573	2.9
95.48380	1.0
96.92837	1.2
97.02888	2.7
98.09689	2.3
98.97587	2.3
101.00918	1.2
102.05296	1.0
106.02911	4.5
110.06025	1.0
110.07122	1.2
115.02451	1.0
115.03957	1.7
116.98600	1.1
118.08637	3.4
118.12273	1.7
119.01897	2.0
123.05556	100.0
124.03936	2.8
125.76548	1.0
128.98729	1.3
131.01895	1.2
133.01677	1.8
133.04944	2.8
138.05507	96.5
144.10161	1.9
145.04970	1.2
155.01912	1.1
156.03214	1.2
157.21382	1.2
170.99094	1.3
174.04454	1.2
185.02979	2.5
189.62039	1.2
196.11621	1.7
197.02911	1.3
200.48645	1.0
203.04138	1.0
208.99698	1.8
214.03857	1.8
221.20804	1.0
223.64685	1.0
228.21924	0.9
232.04846	1.6
245.05095	2.9
250.05806	1.3
255.00658	4.7
255.02740	2.2
255.06311	21.3
255.09384	1.7
255.13440	1.4
255.16631	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	255.0631
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	3.0
56.96560	1.4
57.03427	3.7
57.72625	1.0
59.98160	1.1
64.53513	1.1
64.60610	1.3
69.03412	1.4
70.06583	2.2
70.11854	1.3
71.01279	2.9
73.02914	2.0
80.05009	2.2
82.76367	1.1
85.02908	4.3
89.89830	1.1
94.06568	3.4
97.02890	1.2
97.60571	1.3
101.67490	1.3
106.02917	6.6
110.06006	1.2
116.03381	1.1
118.08671	2.5
123.05558	100.0
124.03958	2.3
131.01932	1.3
133.04970	3.3
138.05508	83.9
144.10155	1.8
156.03329	1.8
196.11655	1.7
214.04019	1.5
217.47169	1.5
232.04936	1.4
254.97893	1.6
255.00500	2.9
255.02556	4.4
255.06279	12.6
255.13535	2.4
255.16646	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	254.175
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.7
55.05506	0.7
71.06718	0.9
72.08156	7.8
78.83651	0.4
79.05481	0.9
81.07074	2.1
89.57600	0.4
91.05491	2.4
93.07047	6.2
95.04958	0.4
98.97644	0.5
103.05468	3.3
116.10751	0.7
119.14700	0.4
121.06510	100.0
131.62109	0.4
132.03152	0.4
192.13840	56.9
193.14146	0.5
211.03688	0.4
232.07169	1.8
236.16454	6.2
240.04108	0.5
254.17528	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	255.063
Annotation	Unknow
Peak:m/z	Relative Intensity
59.28880	11.4
70.30962	40.6
76.05146	11.1
83.53509	11.8
89.03931	16.2
98.98428	21.9
123.05560	65.2
138.05489	28.4
163.03889	52.1
208.76828	11.5
255.06293	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	254.1541
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02380	0.2
53.03951	1.3
55.01872	0.4
55.23007	0.2
56.96564	0.7
57.03389	0.2
58.52133	0.2
67.05515	0.2
70.03696	0.8
74.20594	0.2
76.46513	0.2
77.03933	0.7
79.05501	0.3
81.03436	0.3
86.09689	0.2
91.05485	8.6
91.53001	0.2
93.07050	15.8
95.04975	2.0
98.97581	1.3
98.98457	0.6
99.43957	0.2
99.63057	0.2
103.05467	9.6
105.04523	1.0
105.07040	0.3
107.08614	0.4
109.06551	0.2
117.07041	0.2
118.06535	0.7
119.07348	1.4
119.08630	0.2
121.06507	100.0
122.06884	0.3
134.09656	44.9
135.09944	0.3
137.09628	0.3
139.03896	0.4
143.00194	0.2
158.99643	0.6
167.03578	0.5
177.00610	0.2
187.06221	0.3
210.14897	0.9
222.05482	0.3
222.08331	0.3
231.05748	0.2
236.05202	0.3
254.15399	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	254.0873
Annotation	Unknow
Peak:m/z	Relative Intensity
53.63050	1.1
56.96553	3.4
61.02917	4.5
70.12122	4.9
71.01358	7.3
75.04486	13.0
87.04465	4.2
89.02385	2.5
92.25111	1.0
98.97559	2.0
98.98454	2.1
102.25215	1.1
103.03940	14.8
114.38509	1.0
124.99128	1.6
131.03378	6.1
143.00182	2.2
159.02898	48.4
169.13579	1.2
185.01326	1.2
187.02357	2.7
188.92447	1.8
195.11292	1.6
208.09134	1.8
219.05011	100.0
231.01729	1.4
236.08981	2.5
246.01718	1.0
248.88371	1.3
249.02763	3.1
254.09555	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	254.0872
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96559	6.2
59.96449	1.3
61.02914	5.4
71.01344	6.5
71.06261	3.2
75.04484	14.1
78.75152	1.2
80.17207	1.3
85.02911	1.6
85.36214	1.4
87.04473	4.2
98.97598	1.6
98.98454	4.7
103.03945	15.5
107.04992	1.3
111.86014	1.5
115.09361	1.3
117.54256	1.3
124.99114	3.0
131.03419	4.6
142.74901	1.5
143.00127	4.4
159.02902	40.8
160.23271	1.7
163.03877	2.4
187.02470	3.0
187.79356	1.4
188.92520	2.3
190.03267	1.7
208.09341	4.6
219.05009	100.0
231.01752	4.1
236.09018	3.2
237.06287	1.3
248.20039	1.5
249.02849	7.1
254.04745	3.1
254.09940	4.8
254.17708	2.2
267.03955	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	253.1435
Annotation	12-Noralliacolide
Peak:m/z	Relative Intensity
53.03935	2.1
55.01868	6.8
55.05511	4.7
57.03426	2.9
57.07058	1.2
63.24256	0.8
67.05505	26.0
69.03414	2.5
69.07063	7.3
71.04998	2.1
71.52148	1.0
71.52541	0.8
73.93099	0.8
79.05494	10.7
81.03427	3.8
81.06589	1.6
81.07059	25.7
83.04977	4.2
83.08611	2.3
85.06557	4.0
91.05482	21.2
93.07052	8.1
95.04955	3.5
95.08606	3.5
97.06512	2.5
98.98470	30.6
99.04456	1.3
105.07036	17.7
107.04973	1.2
107.08593	15.6
109.06492	3.0
109.10161	26.6
113.06054	0.9
117.07024	1.1
119.08562	2.2
123.11692	5.6
127.07531	1.6
133.10132	35.2
143.08594	0.9
151.11186	21.2
153.69055	1.0
161.09653	1.9
169.12241	3.4
174.99225	0.8
176.99039	0.9
179.10675	1.0
253.14348	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.2163
Annotation	Hydnocarpic acid
Peak:m/z	Relative Intensity
55.01870	2.5
55.05511	43.3
56.96550	3.8
57.03434	2.1
57.07070	9.0
67.05505	33.4
69.03419	2.2
69.07068	59.5
71.04987	4.0
71.08630	3.1
73.06567	1.6
79.05492	16.0
81.03417	2.2
81.07056	53.4
83.04972	5.9
83.08620	36.3
85.06532	6.8
85.10157	1.6
91.05482	15.6
93.07043	22.9
94.75500	1.0
95.04935	3.3
95.08609	41.5
97.02898	2.7
97.06533	9.3
97.10170	29.9
98.98466	100.0
99.08082	5.2
105.07049	16.6
107.08596	14.1
109.06509	3.0
109.10155	24.2
111.04434	1.4
111.08090	5.7
111.11709	13.7
116.99461	2.4
117.06975	1.5
119.08589	18.0
120.56286	1.0
121.10143	18.7
123.08061	4.8
123.11721	9.9
125.09603	3.5
125.13264	4.1
127.07515	1.5
129.09102	1.5
133.10120	21.6
135.11688	17.0
137.09628	6.2
137.13242	6.1
139.11183	3.0
140.01042	1.3
145.10101	1.5
147.08154	1.5
147.11707	11.5
149.13264	4.0
151.11209	7.9
151.14830	4.0
153.12720	4.1
157.10130	1.9
159.11676	2.5
161.13257	12.7
165.12724	4.7
169.10136	1.6
169.12183	1.3
174.99214	2.0
175.14839	4.3
176.98943	3.1
179.10733	1.6
179.14290	3.0
183.11687	1.5
189.16469	2.1
191.17934	2.9
193.19514	3.4
197.15309	1.5
217.19501	29.0
230.07758	2.3
235.17055	2.6
235.20563	21.5
248.08638	1.7
252.59760	1.2
253.08621	2.3
253.14153	14.0
253.19450	4.3
253.21597	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	253.0931
Annotation	Thymine dimer
Peak:m/z	Relative Intensity
54.03471	0.5
68.09511	0.3
69.04556	4.1
70.90918	0.7
81.04548	1.0
83.06104	0.6
84.37318	0.3
92.87529	0.3
93.04533	0.5
93.95650	0.3
95.02454	0.3
95.06118	0.3
97.04005	0.5
106.74217	0.3
107.14690	0.3
108.05621	0.4
108.67035	0.3
109.04020	0.8
110.07153	0.4
121.03984	0.9
122.07148	9.7
124.08703	0.9
134.07133	1.5
150.06625	30.5
163.09782	1.4
167.88593	0.3
168.07692	0.4
173.05663	0.3
192.06429	0.3
192.08134	0.4
194.07942	0.3
196.07181	0.5
207.08774	100.0
208.09135	0.5
220.44559	0.3
253.09322	64.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.1184
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05028	0.9
61.50916	0.3
62.35094	0.3
66.67234	0.3
70.79213	0.5
70.79547	0.5
78.50493	0.3
83.93464	0.3
84.04507	34.1
85.02890	0.5
92.05003	0.9
98.98434	1.7
102.05569	0.8
107.35416	0.3
109.05264	19.8
119.48309	0.3
124.07595	100.0
125.07953	0.3
130.05000	7.4
130.05951	0.4
150.06609	0.6
189.10277	0.4
190.08629	0.5
207.08809	1.3
236.09178	3.2
239.36513	0.3
253.09335	1.3
253.11850	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.0709
Annotation	caffeoylglycolic acid methyl ester
Peak:m/z	Relative Intensity
53.66549	0.3
55.01871	0.5
55.05503	0.8
56.96569	0.3
57.07070	0.4
65.03936	2.0
67.05508	1.9
69.03433	2.7
69.07076	1.0
69.67529	1.2
71.04990	0.7
79.05498	1.0
81.03403	0.4
81.07055	1.9
83.04981	0.6
85.02914	0.3
85.06558	0.4
91.05465	1.5
93.07049	0.8
95.04980	1.6
95.08613	0.9
97.02896	45.4
97.06535	0.6
98.97556	0.5
98.97723	0.5
98.98474	11.2
103.49454	0.3
105.07041	1.3
107.08608	1.5
109.06509	0.7
109.10165	2.5
111.04445	1.1
115.03883	0.4
119.08588	0.7
121.02873	100.0
121.10136	0.3
123.08057	0.3
123.11715	0.6
125.09631	0.5
131.08528	0.3
133.10156	1.8
137.09647	0.3
139.03908	2.4
143.08572	0.4
147.11713	0.5
151.11212	1.0
157.10173	0.4
159.11679	0.5
168.48189	0.2
168.86816	0.3
174.99303	0.5
175.11021	0.3
176.99004	0.3
183.11693	0.3
217.04945	2.4
230.07794	0.4
231.08801	1.7
235.06021	3.1
235.16980	0.5
248.08568	0.3
253.07074	6.2
253.09558	0.3
253.14246	4.9
253.19638	1.6
263.41684	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	252.0868
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01581	0.3
51.02371	0.3
53.03714	0.3
53.03946	3.9
55.01847	0.2
56.96558	0.6
59.04991	0.4
60.04528	1.1
67.02467	0.2
69.03450	0.4
70.02956	1.1
71.52364	0.3
71.52734	0.4
77.03926	1.0
79.05485	0.4
81.03414	0.7
81.07088	0.3
85.02914	0.3
86.06078	0.3
87.04516	0.4
88.03992	2.2
91.05479	0.5
93.07037	0.7
95.04967	3.8
97.02888	0.5
97.06529	0.3
98.97591	1.4
98.98486	1.7
102.05547	6.5
103.05421	0.3
105.03394	100.0
107.08608	0.5
120.08121	3.4
130.04999	3.1
136.06134	0.4
148.06071	0.2
148.07549	1.4
158.99667	0.5
166.08641	0.7
174.05597	0.4
176.03334	0.3
177.00673	0.3
185.03894	0.2
188.07072	0.3
192.06535	3.1
193.67587	0.3
205.98859	0.4
206.08124	8.0
206.11713	0.4
216.06578	1.3
219.22499	0.2
220.06097	1.9
234.07610	2.2
234.14973	0.3
235.12312	0.3
249.02826	0.3
252.08752	2.2
252.12404	1.1
252.16255	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	252.0868
Annotation	Unknow
Peak:m/z	Relative Intensity
50.19561	0.4
56.96566	0.9
57.92351	0.4
70.02952	0.6
70.38839	0.5
70.39177	1.0
74.06078	0.4
79.05492	0.4
81.07069	0.5
87.00839	2.8
91.05482	1.1
93.07047	1.7
94.46719	0.4
98.97578	1.0
98.98499	1.4
103.05465	6.3
103.51727	0.4
105.07037	0.5
107.04953	0.5
118.06551	8.2
120.08109	100.0
127.93803	0.4
128.04944	0.8
131.04961	0.6
132.15732	0.5
136.06192	17.6
146.06010	17.5
148.07536	0.8
164.07112	0.5
166.08652	2.1
170.83383	0.4
174.05399	0.4
188.07071	17.3
192.06523	1.8
206.08131	68.9
220.07971	0.7
225.27582	0.4
234.07576	2.1
234.13513	2.7
235.53679	0.4
252.08737	1.7
252.11986	0.8
252.14516	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	251.1643
Annotation	7-Isobutyryloxythymol methyl ether
Peak:m/z	Relative Intensity
53.03936	0.9
55.05511	2.7
56.96574	2.4
57.03437	1.0
57.07082	1.9
59.05009	3.1
67.05506	3.9
69.03449	1.8
69.07074	2.6
71.04600	1.6
71.04994	29.8
71.52834	1.2
79.05484	4.1
81.03422	1.3
81.07062	6.2
83.04974	6.9
83.08633	1.8
85.02920	0.9
85.06561	1.9
91.05466	4.9
93.07050	7.0
95.04966	7.6
95.08613	7.5
97.06532	4.0
97.10167	1.0
98.98469	100.0
99.04452	2.1
105.07035	6.3
107.04958	1.3
107.08579	7.1
109.06524	3.4
109.10164	4.3
111.08083	1.4
113.06029	1.4
113.09606	0.8
116.99462	1.5
117.07019	1.9
119.04949	1.4
119.08566	4.5
120.97845	0.7
121.06505	1.6
121.10150	8.2
123.08056	3.3
123.11719	2.0
125.05995	14.8
125.09585	0.9
131.08549	4.0
133.10152	3.2
135.08055	1.9
135.11693	1.9
137.06018	1.2
137.09612	1.7
145.10104	5.3
147.04417	0.8
147.08035	1.4
147.11696	2.5
149.09622	3.1
149.13277	1.2
151.03876	1.0
151.07516	3.0
151.11174	1.7
159.07980	0.8
159.11745	1.6
163.11201	22.7
165.09048	1.3
167.10684	0.9
171.11678	0.8
173.13248	2.2
173.83812	0.8
174.99188	5.7
177.09097	1.8
177.12758	1.0
181.04890	1.0
181.12230	10.2
187.14760	0.9
189.12759	1.7
191.10817	1.0
193.12248	2.1
205.08627	1.2
215.14279	2.3
215.17850	0.8
229.07487	1.3
233.08093	2.0
233.11673	1.4
233.15312	6.8
233.18886	0.9
251.04163	1.0
251.12407	1.8
251.16382	41.2
269.12366	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.164
Annotation	6-Hydroxy-14-sesquilimonenoic acid
Peak:m/z	Relative Intensity
53.03932	2.0
55.01874	1.5
55.05510	5.9
56.42736	0.5
56.70695	0.6
56.96560	2.5
57.03418	1.4
57.07059	0.9
59.04992	1.6
65.03946	0.8
67.05505	20.3
69.07068	5.9
69.37991	2.6
69.38419	2.0
71.04990	1.6
73.06558	0.7
79.05489	18.9
81.03408	2.5
81.07053	20.5
83.04977	2.8
83.08617	1.6
85.06519	0.8
91.05484	26.8
93.07043	10.6
95.04971	6.0
95.08604	9.2
97.06554	1.8
97.10198	1.0
98.98463	100.0
103.05470	1.5
105.07029	20.0
107.04959	6.6
107.08582	5.8
109.06531	5.0
109.10138	4.2
111.08034	0.7
115.05408	1.0
116.99500	1.4
117.07016	8.2
119.08583	14.3
121.06530	3.0
121.10124	3.6
123.08061	1.1
123.11700	1.5
129.07011	2.8
131.07608	0.7
131.08566	14.6
133.06514	1.8
133.10112	4.3
135.08066	1.7
137.05945	0.7
137.09593	1.3
140.01077	1.4
141.07004	1.5
143.08543	1.5
145.06584	0.8
145.10114	4.7
147.08058	1.0
147.11761	0.9
149.09625	1.1
155.08575	2.7
157.10158	0.7
158.18326	0.7
159.11707	1.9
163.03957	0.6
163.11157	0.6
169.10127	1.5
170.74954	0.7
171.11708	2.3
173.09622	0.9
173.13216	3.2
174.99217	4.9
187.11169	0.8
187.14804	3.9
197.13225	3.3
205.15918	1.7
213.07974	1.0
215.14320	3.1
229.07518	0.7
233.15375	14.5
233.18945	0.9
251.16234	4.6
251.20116	1.7
269.10461	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	251.1643
Annotation	Deodardione
Peak:m/z	Relative Intensity
52.88390	0.5
53.03944	1.3
55.05511	7.4
56.96561	1.6
57.07074	1.4
59.04994	1.5
67.05497	4.2
69.03432	1.9
69.06733	0.9
69.07072	10.9
71.04996	2.4
71.52799	0.7
79.05495	7.4
81.03413	0.8
81.07060	11.1
83.04983	10.6
83.08601	1.7
85.02909	0.7
85.06523	1.4
90.04967	0.5
91.05503	5.9
93.07050	24.9
95.04958	2.7
95.08614	9.0
95.51776	0.5
97.02914	1.2
97.06525	3.5
97.10176	0.7
98.97633	1.6
98.98470	55.0
99.04459	0.7
105.07030	9.1
107.04929	1.4
107.08602	6.7
109.06519	3.1
109.10167	3.4
111.04449	10.5
111.08075	1.4
111.11703	3.0
116.98676	1.1
116.99460	0.9
117.07008	1.3
119.01794	0.8
119.04958	0.5
119.08586	6.4
121.06487	2.0
121.10149	40.8
123.08076	2.5
123.11702	1.4
125.05989	1.1
125.09666	1.2
129.07040	0.7
131.07719	0.5
131.08586	2.0
133.07594	0.8
133.10138	2.5
135.08084	1.4
135.11708	1.0
137.06018	0.6
137.09619	0.9
139.07518	0.8
139.11194	2.1
140.04253	0.6
143.08540	0.8
145.02844	0.6
145.10106	2.4
147.08031	1.4
147.11707	3.7
149.09627	16.2
157.10136	1.1
159.08028	1.1
159.11728	1.5
163.11241	0.7
167.10681	100.0
169.10130	0.7
171.99123	0.6
173.09677	0.9
173.13266	1.6
174.99261	3.0
175.11140	0.9
177.09209	0.6
179.06500	0.6
187.14926	0.9
191.02106	0.5
191.14410	1.1
191.18091	0.5
193.12134	0.5
195.11690	0.7
205.08772	0.7
205.15945	0.7
209.15240	0.7
215.14238	1.1
215.17955	1.7
230.07961	0.5
233.04480	0.6
233.08067	1.5
233.15359	2.3
233.18970	1.2
251.08830	2.5
251.12561	6.9
251.16240	12.7
251.19879	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.185
Annotation	Hexadeca-4,7,10,13-tetraenoic acid
Peak:m/z	Relative Intensity
55.05511	11.6
57.07066	3.4
59.04996	2.6
67.05490	5.6
69.07069	7.1
71.08658	1.3
79.05482	3.3
81.07054	8.7
83.08620	4.4
86.68307	0.9
91.05487	3.9
93.07047	9.8
95.08608	19.1
97.10169	4.3
105.07026	12.0
107.08599	20.0
109.10161	12.5
119.08578	25.1
121.10141	12.4
123.11709	3.1
125.05970	0.9
125.09615	1.3
131.08557	1.7
133.10130	29.9
135.11711	5.7
142.36165	0.9
145.10115	1.2
147.08005	1.4
147.11696	21.1
149.13271	5.9
151.11200	1.3
153.09129	7.2
161.13251	11.5
163.14821	2.4
165.09203	1.1
167.10672	5.5
175.11343	1.0
175.14835	2.3
177.16486	1.2
179.10632	3.4
181.12273	1.2
190.57333	1.0
193.12260	3.9
203.17957	100.0
205.19511	15.2
207.00815	1.0
221.15370	1.3
221.18950	6.8
231.17453	3.8
249.11209	1.9
249.16212	1.2
249.18501	19.7
249.22244	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	251.139
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05025	1.4
57.10408	0.4
66.66186	0.4
69.07074	0.8
71.03639	0.7
72.08144	0.5
72.95935	0.4
77.03987	0.4
79.05495	1.5
84.04504	28.3
86.09708	4.7
97.06525	0.4
98.98470	12.1
102.05536	0.8
103.05467	1.5
105.07032	100.0
105.50513	0.4
120.08122	0.9
121.06516	1.8
122.09669	39.9
126.90885	0.4
130.05034	4.0
136.06207	0.6
138.09108	1.2
163.01845	0.5
163.03947	0.7
205.13362	5.7
205.15089	0.5
234.11246	28.7
237.45827	0.4
251.13947	15.6
251.17729	0.9
252.14511	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.185
Annotation	Hexadeca-4,7,10,13-tetraenoic acid
Peak:m/z	Relative Intensity
53.38669	0.6
55.05517	9.5
56.96558	2.7
57.03432	0.7
57.07067	1.7
59.04992	1.6
67.05508	4.1
69.07075	5.6
69.47060	5.2
73.06107	0.6
79.05497	4.0
81.03410	0.9
81.07065	8.4
83.05001	0.9
83.08643	3.5
85.06569	1.4
91.05487	5.6
93.07049	9.3
95.04991	1.5
95.08613	13.3
97.10155	2.0
98.21585	0.8
105.03381	0.8
105.07034	13.6
107.04976	1.3
107.08603	12.3
109.06529	2.0
109.09572	0.8
109.10178	8.6
111.08087	0.8
117.07039	1.6
119.08595	25.0
121.06496	1.7
121.10154	6.0
123.08097	0.9
123.11703	0.8
125.06011	1.1
126.17112	0.8
128.06219	2.5
129.06990	4.6
131.08580	12.4
132.05603	0.8
133.10147	20.7
135.08072	1.6
135.11702	4.1
139.07567	1.3
142.07777	2.3
143.08563	22.4
144.09343	1.9
145.10139	8.8
147.08037	3.1
147.11702	14.2
147.12883	0.6
149.13251	1.8
151.07552	1.0
153.09109	5.8
156.09383	1.7
157.10135	11.2
159.11707	3.5
161.09660	2.5
161.13286	7.8
163.14780	1.0
165.09178	1.0
167.10684	4.2
169.10013	0.9
170.10954	4.9
171.11650	1.3
173.13252	1.6
174.13956	0.7
175.11057	0.7
175.14854	13.0
177.16473	0.8
179.10703	2.1
183.11731	1.6
185.04857	2.2
185.13272	100.0
186.13832	0.9
187.07732	0.8
187.14845	4.7
189.09122	1.4
191.10858	0.8
193.12282	1.5
193.15869	1.0
195.11603	1.0
203.05949	3.7
203.14334	48.9
203.17969	80.4
204.18320	1.1
205.19536	2.9
208.13741	1.0
217.14276	9.8
217.64409	1.4
221.19003	3.1
222.17619	0.7
226.14809	3.3
228.65045	2.5
231.13858	6.4
231.17487	3.5
249.11130	5.1
249.14894	20.8
249.18533	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	249.1485
Annotation	Ophioceric acid
Peak:m/z	Relative Intensity
53.03972	0.6
53.64072	0.6
55.05511	10.4
56.96551	1.8
57.03403	0.7
57.07066	2.2
59.04998	1.6
67.05506	4.8
68.81606	0.6
69.06796	0.6
69.07079	5.0
70.70703	0.7
70.71030	1.4
71.08603	0.6
79.05495	3.7
81.07063	6.4
83.04996	0.7
83.08636	3.2
85.02998	0.6
85.06549	1.2
89.56638	0.6
91.05482	6.2
93.07040	6.8
95.08603	14.5
97.10160	1.9
105.07027	14.0
107.08597	11.3
109.06509	1.5
109.10158	6.6
111.08080	0.9
115.05433	1.1
117.07058	1.5
119.08585	24.2
121.06474	1.1
121.10146	7.6
123.11691	1.9
125.05986	0.8
125.09624	1.0
128.06258	2.7
129.07022	4.4
131.08551	11.1
133.06549	0.8
133.10129	21.6
135.08037	0.8
135.11661	3.0
137.09576	0.6
139.07501	1.1
141.06952	0.7
142.07823	1.9
143.08568	18.3
144.09344	1.6
145.10114	6.7
147.08034	2.9
147.11696	15.9
149.13261	1.8
151.07550	0.8
151.11205	0.6
153.09099	6.3
156.09334	2.0
157.10127	10.5
159.11700	2.5
161.09656	3.1
161.13246	7.1
163.14835	1.1
165.09077	1.2
167.10712	4.3
169.10191	1.2
170.10915	3.8
171.11737	0.8
173.13248	1.6
174.14055	1.0
175.07571	0.6
175.11093	0.6
175.14828	13.0
177.16383	1.0
179.10646	1.3
183.11662	2.5
185.04942	0.9
185.13257	100.0
187.14825	4.4
189.09160	0.9
191.10689	0.8
195.11635	1.2
203.05974	1.7
203.14322	44.8
203.17955	72.7
205.19551	3.6
208.13759	2.3
213.16432	1.1
217.14275	10.9
217.64508	0.6
221.15434	0.7
221.19014	4.2
226.14764	3.1
228.65015	1.7
231.13834	5.8
231.17451	2.9
249.11243	3.1
249.14867	20.0
249.18509	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	249.1234
Annotation	Abbeymycin
Peak:m/z	Relative Intensity
55.01873	1.2
56.96563	1.9
69.03450	0.6
69.79276	0.6
70.82294	1.5
71.34792	0.6
72.04517	41.0
73.02924	0.7
79.04258	0.6
85.02885	0.9
88.04012	1.8
91.05482	1.0
93.07054	0.6
98.97612	1.2
102.50762	0.7
116.03432	1.2
117.05756	0.7
117.07034	1.4
118.06539	5.2
119.07344	6.6
121.02854	0.7
121.06536	0.6
124.99112	2.6
126.05611	0.6
127.03885	1.0
134.09654	100.0
143.00128	3.5
144.08081	1.8
145.08876	1.2
147.04449	1.4
158.09657	0.8
160.11224	26.6
161.01231	1.3
185.01234	1.4
187.12323	4.2
203.07016	0.7
203.11771	10.4
204.10156	1.8
204.12064	0.6
205.13359	30.7
221.13104	0.7
221.35727	0.6
231.11307	12.3
232.09700	28.7
249.12352	90.1
267.03943	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	249.1446
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	0.4
55.05514	3.3
56.05030	1.0
56.96572	4.6
57.03438	0.8
57.07072	0.7
58.02929	0.5
59.04984	0.8
60.04531	0.7
61.02930	0.4
61.22690	0.4
69.03416	1.7
69.07076	0.5
69.35020	3.2
70.02937	1.0
70.06577	1.2
70.98133	0.5
72.04511	0.9
72.07813	0.5
72.08160	6.4
73.02912	1.0
73.06546	1.6
74.02430	1.0
79.05499	1.1
80.68916	0.4
81.03423	0.8
81.07063	3.1
82.06580	11.4
83.04951	0.7
84.04506	1.0
84.08147	9.3
84.57612	0.3
84.96043	0.6
85.02892	1.6
86.02414	1.0
86.09685	0.5
87.04433	0.4
87.05600	7.1
88.03973	1.3
89.03925	0.6
91.05493	0.7
93.07026	0.4
95.04926	0.5
96.08121	1.6
97.02898	1.2
97.06531	0.4
98.09711	2.3
98.30860	0.4
98.97589	3.9
99.00832	0.6
99.09171	0.6
100.03971	2.1
100.07608	0.6
100.99108	0.4
101.00809	0.5
102.05643	0.4
105.07028	0.6
107.04945	0.6
108.08106	1.0
110.09680	0.7
110.97544	0.9
112.07642	0.5
112.99113	0.5
116.98607	2.5
119.00165	0.4
119.01913	1.2
119.62106	0.4
121.02838	0.5
121.06470	0.6
123.04466	0.4
124.07600	7.9
124.99117	1.5
126.09169	3.9
127.03920	0.9
128.07085	24.1
128.98613	1.0
129.07021	0.5
130.06551	2.5
130.08597	1.9
132.04474	0.4
133.06125	0.8
134.05971	0.5
134.09634	0.8
134.99670	0.6
135.04390	1.0
141.10225	11.2
142.08638	14.1
143.00172	3.6
143.04897	0.6
145.01749	0.7
145.02882	0.5
146.99614	0.9
152.06981	0.5
154.02086	0.5
154.08649	0.8
155.02267	0.8
156.03389	0.5
157.07635	4.1
158.06030	1.2
158.99655	0.9
159.07957	0.4
161.01231	2.8
161.02710	0.4
161.05905	0.6
161.09608	0.7
163.02766	0.6
163.03909	3.3
164.04213	0.6
170.08130	27.9
170.99666	0.4
172.09697	0.5
174.04280	0.4
175.08771	0.7
177.00751	0.9
185.01224	1.6
185.02734	0.4
185.07104	1.0
187.10785	100.0
188.09227	0.9
188.10974	0.6
189.00732	1.0
189.05499	0.6
189.09068	1.0
191.03856	0.6
203.02214	0.5
203.06908	0.8
204.05327	0.5
205.00107	0.4
207.95999	0.5
213.12328	4.2
222.84630	0.5
223.01112	0.5
231.01692	0.4
231.07739	4.3
231.13385	6.5
232.03951	0.4
249.02614	1.8
249.07184	0.6
267.00534	0.4
267.03860	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	249.0458
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96556	1.4
70.39608	2.2
70.99863	1.4
78.84763	0.8
82.99844	10.6
85.01398	1.3
86.82378	1.0
88.28195	0.9
89.00949	1.1
92.08672	1.1
101.00885	90.9
103.02439	2.3
113.00874	9.6
114.05856	0.9
119.01926	100.0
124.08666	0.9
127.02457	5.3
129.00334	1.3
131.01909	15.9
137.02959	11.1
141.00380	2.4
142.03519	1.2
143.01901	34.6
145.03452	16.2
147.01430	2.8
149.03012	1.4
151.38341	1.0
155.01884	1.6
157.03468	3.2
159.01393	17.1
161.02963	62.0
169.99612	1.1
171.01424	12.5
173.02974	5.5
177.02461	23.8
179.04034	1.4
183.01404	1.4
185.03192	1.2
189.02449	66.1
191.04019	4.8
201.02454	9.8
203.03999	1.9
207.01715	0.9
207.03514	16.9
219.03496	6.9
231.03426	3.7
249.04564	42.4
267.05576	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	248.1646
Annotation	Ketobemidone
Peak:m/z	Relative Intensity
55.05511	0.5
56.96577	1.0
57.18811	0.2
61.11830	0.2
67.05495	0.3
69.07085	0.2
79.05490	0.3
81.07037	0.5
83.05000	0.3
86.66961	0.2
91.05486	0.6
93.07038	0.4
95.08597	0.5
97.02868	0.3
98.97575	0.6
105.07028	0.4
107.08563	0.3
118.06554	4.6
119.08553	0.3
121.06510	1.4
123.11709	0.3
129.06995	0.3
131.08644	0.3
132.08072	1.7
133.08850	0.6
134.09657	0.4
145.72032	0.2
146.09631	2.1
147.26894	0.2
159.07999	0.3
160.11226	0.5
166.12299	0.4
174.12810	0.7
176.14349	11.1
182.04752	0.2
187.03972	0.3
190.08629	9.3
191.03455	0.3
196.04411	0.7
201.55232	0.3
202.15872	2.0
203.16641	1.0
204.10208	4.6
205.11018	1.4
206.11731	0.3
215.59819	0.3
218.11752	4.6
220.13272	0.3
232.13333	0.4
244.81816	0.2
245.18159	0.2
248.16464	100.0
249.08934	0.2
249.11194	1.0
249.16795	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.133
Annotation	Parishin B
Peak:m/z	Relative Intensity
53.03939	4.3
55.01866	2.2
55.05502	3.3
57.07042	1.3
59.05009	1.0
65.03937	2.4
67.05508	5.7
69.03090	1.4
69.03432	19.2
69.07063	2.6
69.95336	4.8
70.60006	1.0
72.08160	1.2
75.32977	1.0
79.05495	9.5
81.07060	11.5
83.04984	19.1
83.08593	1.6
91.05489	14.3
93.03391	3.4
93.07050	16.8
95.04961	4.7
95.08622	5.4
97.02906	8.2
97.06528	1.3
97.10171	1.1
98.21442	1.8
103.05477	1.9
105.07038	14.4
107.04948	1.4
107.08602	15.1
108.68490	1.1
109.02894	19.9
109.06531	11.8
109.10176	5.4
111.04447	5.1
111.08078	1.4
114.27598	0.9
115.05436	3.1
117.07005	7.8
118.11518	0.9
119.08581	18.4
121.02840	4.4
121.05671	1.4
121.06503	17.4
121.10159	9.8
121.10973	1.7
122.07256	1.6
123.04436	1.3
123.08087	1.8
128.06261	2.9
129.06984	6.4
130.07779	2.4
131.08578	17.1
132.05711	1.6
133.06516	1.7
133.10144	13.4
135.08061	28.0
137.05974	7.3
137.09596	4.2
139.03885	2.2
141.06984	2.3
142.07773	3.0
143.08566	11.4
144.09343	11.3
145.06511	9.1
145.10127	13.6
145.15181	1.0
146.07240	1.5
147.08060	4.5
149.05960	1.0
149.09619	23.2
149.13261	1.3
150.10379	3.5
151.11185	5.6
153.07050	1.2
153.09024	1.5
155.08533	3.9
156.09355	1.6
157.06586	1.3
157.10120	3.8
158.07265	2.3
158.10921	12.4
159.08058	11.3
159.11703	31.3
160.08815	1.9
161.09605	3.8
163.07553	20.5
163.11186	3.6
163.14738	1.1
165.09062	1.5
167.08601	1.2
168.09320	4.7
169.10101	3.3
170.10931	4.1
171.08038	5.7
171.11737	1.3
172.08849	15.2
173.06015	1.3
173.09637	29.4
173.13272	44.2
175.03847	1.1
175.07463	2.0
181.06497	2.1
183.11732	9.5
185.13278	3.0
186.10411	22.4
187.07602	3.1
187.11189	100.0
189.09058	2.1
191.07042	30.5
195.08263	1.1
196.08853	5.5
199.07617	1.1
201.12758	67.8
205.12248	10.0
211.11183	11.2
214.09987	3.6
219.13823	5.4
229.12247	69.2
247.05969	2.5
247.13306	64.9
247.24222	3.8
248.87775	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.0426
Annotation	Unknow
Peak:m/z	Relative Intensity
59.38930	0.9
59.79271	0.8
67.11479	0.9
70.63997	2.2
75.47253	0.8
100.07654	0.9
101.00867	4.1
113.00884	1.3
119.01933	3.7
130.26701	0.9
149.50009	1.0
167.03239	1.3
187.02344	1.1
215.00362	3.2
229.03217	26.3
241.51166	0.9
247.04272	100.0
248.04622	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.0603
Annotation	2,3',4,6-Tetrahydroxybenzophenone
Peak:m/z	Relative Intensity
65.03935	1.3
67.01862	2.4
68.99784	1.2
69.03419	1.3
69.50027	2.0
80.59243	0.3
93.03388	0.3
97.02904	0.8
111.00707	0.3
111.04467	1.1
121.02868	54.0
121.03900	2.1
128.90202	0.3
131.96718	3.2
153.01830	100.0
160.99348	2.4
171.02907	0.4
173.98892	0.6
197.56287	0.4
217.03107	0.5
247.06050	52.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.1328
Annotation	Parishin B
Peak:m/z	Relative Intensity
55.05506	2.6
56.96557	2.6
59.04998	2.6
63.43739	0.8
67.05500	2.2
68.97172	0.9
69.03432	1.8
69.07088	1.4
72.08151	2.2
79.05489	2.5
81.07059	4.8
91.05483	5.8
93.07044	4.7
95.04975	1.4
95.08625	4.1
98.97649	0.8
105.07037	32.2
107.04987	1.6
107.08606	2.8
109.10160	2.0
117.07015	3.6
119.08591	7.8
121.02895	1.0
121.06551	2.0
121.10144	2.0
128.06242	0.9
129.07031	2.6
130.67795	0.8
131.05051	0.9
131.08580	16.2
132.95523	0.9
133.10155	3.1
135.11716	1.2
141.07007	1.6
142.07800	3.7
143.08549	5.5
144.09300	2.0
145.06491	2.5
145.10132	9.6
147.08037	1.0
149.06027	5.1
151.03937	1.3
155.08572	6.2
157.10126	8.4
158.10904	1.6
159.08067	3.8
159.11699	22.6
161.13284	2.4
168.09325	4.7
169.03255	0.8
173.09654	1.5
173.13263	17.2
175.14891	1.9
176.14392	1.8
177.12776	1.5
182.99786	1.4
183.10049	1.7
183.11699	35.6
185.13275	2.5
187.11151	1.6
187.14854	1.1
201.00757	2.5
201.12758	100.0
201.16388	10.8
202.13046	1.0
205.12244	19.2
219.13795	2.2
229.12273	2.7
229.15958	1.5
247.05902	1.8
247.09802	1.6
247.13228	12.9
247.16943	5.2
247.20618	2.0
247.24678	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	246.1127
Annotation	Unknow
Peak:m/z	Relative Intensity
51.42009	0.1
53.03931	0.2
55.05496	0.1
65.03941	1.0
67.05492	0.8
68.99818	0.2
70.06591	0.3
70.37943	0.1
71.10460	0.4
78.03455	1.5
81.03423	3.0
81.07052	0.6
83.04967	0.2
84.86767	0.2
88.07641	0.4
94.04187	0.4
95.04971	0.6
95.08607	2.0
96.04493	100.0
105.07026	1.0
106.08662	0.2
109.02881	26.1
109.06507	0.3
110.03661	0.9
111.04442	1.0
121.03999	0.9
123.04432	6.4
123.08049	1.3
133.06471	0.3
136.07593	1.2
151.07544	17.2
151.31964	0.2
246.11295	5.8
246.21880	0.3
246.24260	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.0127
Annotation	Unknow
Peak:m/z	Relative Intensity
52.51163	0.6
53.54940	0.6
56.96562	100.0
58.65899	0.6
60.04524	0.6
69.88544	2.9
70.06568	0.8
70.98119	31.6
71.95255	1.3
72.08158	3.0
72.96059	0.9
74.97607	3.0
83.04987	0.6
84.04508	2.7
84.08148	1.6
84.96032	7.4
86.09711	1.3
86.97591	3.5
88.03998	0.9
88.99152	6.4
90.03786	0.9
98.97569	5.9
100.07607	1.0
100.99149	10.8
102.05529	1.4
102.97090	0.8
108.73266	0.7
110.97562	23.7
112.95490	5.6
115.00674	3.8
116.98625	3.2
117.03422	0.7
118.08656	1.7
119.00203	2.0
121.01751	0.7
121.02055	0.8
121.02847	4.9
126.97017	4.0
128.98605	17.5
130.05054	1.0
130.08633	0.9
130.96510	5.3
133.01743	7.3
135.04395	0.7
143.00133	3.0
144.98079	56.2
145.02841	0.7
146.27304	0.6
146.99648	6.0
148.06070	1.4
148.97614	2.6
153.01819	7.9
154.96609	0.8
158.99648	1.0
161.01236	5.2
162.99146	33.8
163.03888	3.7
166.98637	0.6
172.97591	4.2
179.02263	4.5
181.00191	5.1
186.99107	9.6
187.02756	0.8
190.98630	4.6
192.03693	0.7
197.03206	1.0
198.61902	0.7
201.00781	0.8
201.12447	0.9
203.11165	1.7
205.00195	70.2
223.01244	67.4
228.01955	1.2
237.03220	0.6
241.02274	4.8
246.02969	1.1
247.01280	5.1
247.06276	4.4
247.18340	0.8
249.02907	0.8
264.00571	0.6
265.02368	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.1497
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	15.9
56.05030	2.3
56.96592	0.9
57.07077	21.0
69.03397	1.0
70.06594	6.0
70.50157	0.8
71.07013	1.5
72.08157	12.2
72.74770	0.8
81.07042	0.9
82.06583	1.6
84.08134	1.5
86.09710	1.7
87.05588	5.8
87.08110	100.0
89.03925	1.0
89.10799	1.4
93.07042	0.8
95.04967	0.8
96.04441	1.9
96.31174	0.9
98.06064	2.2
99.84140	0.7
100.03977	7.8
108.08132	3.5
109.19846	0.8
110.09677	2.7
111.05553	1.8
113.07132	9.1
114.05526	10.8
122.09638	1.2
124.11095	0.8
127.73833	0.8
128.07065	1.3
131.96724	1.0
135.04436	1.1
139.03911	3.5
141.10266	1.7
142.04996	17.0
145.02873	1.6
154.08545	1.3
159.07657	46.2
163.03854	5.0
170.08142	0.9
170.11777	3.6
177.05475	2.4
185.09601	1.0
196.09698	4.0
199.12308	1.7
201.09189	1.1
213.12347	30.5
215.10664	0.9
216.69173	0.9
227.11795	2.8
227.13783	1.0
245.04532	10.9
245.10342	1.5
245.12845	7.7
245.15079	3.8
245.99374	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	246.1127
Annotation	Unknow
Peak:m/z	Relative Intensity
57.05440	0.3
57.07073	1.2
65.03951	2.0
67.05520	2.1
69.23672	0.5
69.24078	2.5
70.06594	2.0
73.35813	0.3
78.03458	1.0
79.05505	0.6
81.03427	2.9
81.07058	0.7
88.07639	1.9
91.05460	0.4
93.07044	0.8
94.04207	0.4
95.04987	0.9
95.08613	7.5
96.04497	100.0
102.09181	0.5
105.07047	1.8
106.08675	1.6
108.05782	0.6
109.02887	31.1
110.03665	1.1
111.04440	2.5
121.04005	1.2
123.04436	10.2
123.08070	7.7
133.06497	1.2
136.07587	16.4
139.06648	0.3
151.07552	29.5
186.22446	0.3
228.23236	1.4
246.11288	15.8
246.24298	17.9
255.69099	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.1383
Annotation	Pandangolide 1a
Peak:m/z	Relative Intensity
54.44197	2.3
55.01862	5.6
55.05511	62.7
57.03192	2.4
57.03437	26.5
67.05501	22.2
68.48254	2.4
69.03407	7.4
69.07075	12.2
69.82596	13.3
72.31718	2.7
79.05485	14.8
81.07050	18.7
83.04963	5.4
83.08622	44.6
91.05474	3.7
93.07034	8.1
95.04980	2.7
95.08598	4.7
97.10174	78.5
105.07028	3.3
107.08586	30.7
109.10114	5.3
109.74022	2.2
117.06991	2.9
121.10169	3.1
125.09634	100.0
135.08015	10.6
153.09106	5.0
171.10172	8.5
189.11215	96.2
223.63982	2.5
227.12692	3.4
245.04370	3.0
245.11322	4.7
245.13818	99.5
245.18994	6.0
245.22633	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	245.0507
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	1.3
56.96344	1.1
56.96564	12.8
57.03419	2.0
61.02912	1.1
64.70464	1.2
67.05508	1.6
68.98299	2.0
69.03411	4.2
69.07064	2.1
69.72787	2.3
69.73196	4.7
70.06599	8.9
70.98104	2.1
71.95241	2.1
72.08128	3.1
74.02435	4.2
81.03419	2.5
82.06590	1.8
82.99841	8.3
83.04942	1.3
83.06153	1.3
84.04504	20.9
84.08149	11.0
84.96009	1.3
85.02872	1.8
86.06073	4.8
86.09221	1.7
86.09711	16.3
86.99302	1.8
88.07626	1.8
92.20512	1.4
97.02886	4.8
98.20806	1.2
98.97591	13.6
99.04459	1.8
100.07597	2.2
101.00884	57.2
102.05578	1.4
104.10746	2.2
105.00350	1.5
109.02895	1.5
110.04826	1.3
111.05563	3.1
112.05065	3.7
113.00863	11.5
113.03494	6.5
113.04707	1.5
113.05423	2.7
115.02440	7.1
116.07101	14.5
116.98621	6.2
119.01929	80.5
121.01604	1.3
124.00658	1.2
124.95460	2.4
125.00871	1.4
125.07124	8.1
127.02419	4.3
127.03892	2.6
128.98619	1.2
130.05003	14.7
130.08600	1.7
131.01901	20.8
131.96153	1.6
132.06593	9.9
133.01721	2.5
133.03474	12.5
134.99692	1.5
135.37648	1.1
136.07552	1.4
137.02975	11.5
139.02393	3.5
139.45007	1.3
141.03920	2.3
142.01712	2.9
142.96503	1.5
143.00203	2.2
143.01901	46.3
145.03479	16.5
147.01405	1.8
147.05029	1.7
149.02946	2.8
151.04552	1.9
153.03934	2.2
155.01865	12.6
156.02742	1.4
157.03477	30.3
158.88800	1.2
158.99615	1.3
159.05075	8.5
161.02960	84.0
163.03891	3.4
164.02376	1.6
167.01880	6.4
169.03471	6.2
170.96002	3.3
171.04997	3.5
173.01425	1.4
173.02968	28.7
174.99171	1.6
175.04532	21.9
177.06055	1.8
179.00621	2.4
179.01866	2.2
181.03482	1.7
182.08145	6.2
185.02962	46.3
187.04517	17.6
188.97075	7.6
191.04019	9.1
193.00250	1.5
195.11241	2.3
197.02927	10.5
199.04471	6.8
201.16008	2.7
202.98605	3.1
203.04010	40.4
205.05594	1.9
206.98050	2.2
215.03926	9.9
217.05542	8.1
220.99763	1.7
221.01654	2.3
221.05061	5.7
227.04025	8.3
227.13884	2.7
233.05011	4.8
245.05058	100.0
245.11076	7.2
245.14946	5.4
263.02887	14.9
263.06122	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	245.0506
Annotation	Unknow
Peak:m/z	Relative Intensity
50.43658	0.3
51.42434	0.3
54.63008	0.3
59.19955	0.3
63.40468	0.3
63.52735	0.3
68.98284	0.8
69.03447	0.8
69.85204	1.8
72.93778	0.5
81.03404	0.8
82.99816	2.4
83.79691	0.3
84.99590	0.4
86.99302	0.6
90.94793	0.7
97.02872	1.4
97.76489	0.3
99.04443	0.7
101.00880	17.9
102.00988	0.7
102.96860	1.2
103.00650	2.8
103.01289	0.7
103.02417	0.5
105.00291	0.4
113.00860	3.2
114.54266	0.4
115.02408	1.8
119.01919	25.3
120.02016	2.9
120.97856	0.7
121.01654	4.8
121.02458	0.5
124.97584	0.3
127.02404	1.2
127.03898	1.5
129.00308	0.3
131.01907	6.1
131.05577	0.8
133.03476	1.9
136.99605	0.4
137.02963	3.3
139.02454	1.4
142.03484	0.7
142.98590	1.1
143.01895	16.0
145.03459	4.1
147.01343	0.8
147.04964	0.5
149.02951	0.4
149.06537	0.6
149.96101	0.6
151.04605	0.4
152.15463	0.3
155.01849	2.6
157.03458	9.9
159.01297	0.3
159.05069	0.4
160.99641	3.9
161.02959	33.5
162.03085	1.3
167.01866	1.9
167.97137	0.7
169.03448	2.2
171.05009	0.9
172.97639	0.8
173.02962	6.9
175.04530	6.7
177.00987	0.9
177.02469	0.4
177.09712	0.8
178.01035	0.4
179.00691	17.3
179.03963	1.6
180.00816	0.4
180.04088	0.9
184.04523	0.6
184.99675	1.0
185.02946	14.5
187.04509	4.0
191.04024	2.7
197.02986	3.1
199.04514	2.4
201.02646	0.4
203.00891	3.1
203.04001	13.5
203.11302	0.4
209.02957	0.4
215.04034	3.7
217.05586	1.4
219.02025	0.7
219.03824	3.0
220.01994	0.7
221.01775	22.4
221.04797	1.9
222.01869	1.2
227.00514	2.2
227.04016	3.8
233.05133	2.9
240.03197	0.4
245.01845	11.6
245.05063	30.2
245.12233	3.0
261.03070	0.5
263.02875	100.0
264.02991	0.9
265.03366	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	244.0669
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05023	7.7
56.96558	7.8
57.03436	4.1
60.28601	1.9
65.68476	1.7
69.03430	3.1
70.02948	4.0
71.01339	4.1
71.04997	2.2
71.51865	3.6
72.73558	2.1
73.02930	4.3
74.24773	1.8
75.20371	2.1
75.47674	1.8
77.00945	2.0
81.03422	4.4
82.01442	9.2
82.99855	3.6
84.04511	4.2
84.08047	1.6
85.02917	4.3
95.01338	5.0
97.72533	1.6
98.57600	2.0
98.97604	5.1
98.98459	6.5
100.02481	13.5
101.00880	53.3
102.01005	2.5
102.96918	2.0
111.05541	2.0
113.00819	2.6
116.12833	1.7
116.98576	3.6
118.03517	3.7
118.92017	1.9
119.01924	100.0
120.02021	5.0
120.21592	1.7
121.01652	3.6
124.02447	4.4
124.99168	2.4
126.05746	1.9
127.02456	3.5
128.71027	1.8
130.03519	3.5
130.05026	2.0
131.01012	2.0
131.01912	6.3
133.03419	2.3
137.02975	17.2
138.96458	4.2
139.02454	2.2
139.48434	2.2
141.34596	2.0
142.03494	33.0
143.00185	2.3
143.01923	8.6
145.01694	2.4
145.03473	6.5
146.20508	1.9
148.46939	5.1
148.48967	9.7
148.96849	5.3
148.98160	5.1
151.48468	2.8
153.52992	2.8
156.01703	3.5
156.52441	3.8
156.97496	16.2
157.03372	4.1
157.47531	4.5
157.49512	9.2
157.97456	4.6
157.98698	15.6
158.02953	3.6
158.97220	6.1
158.98569	2.7
159.99982	2.5
160.04562	8.5
160.48991	5.5
160.98982	2.4
161.01544	3.0
161.02951	39.2
166.99228	18.4
167.02895	2.5
167.49219	3.4
168.49503	4.1
168.95956	3.2
168.97516	4.1
169.03519	3.3
169.47571	11.1
169.49498	66.4
169.97395	7.8
169.99529	5.6
170.01704	3.2
173.03000	4.3
174.06187	5.2
174.98587	4.8
175.04445	2.2
175.47498	2.5
175.97337	2.6
176.04105	5.3
176.96486	11.0
176.98151	2.9
177.00955	4.6
177.46530	3.9
177.96349	17.7
178.01038	17.0
178.46518	4.5
178.50005	74.0
178.97852	4.5
179.00185	7.1
179.04013	40.0
179.99237	16.1
181.00246	9.3
181.47580	7.7
181.97377	5.8
184.04572	6.1
185.02948	6.3
185.97034	4.4
186.96947	9.5
187.04558	2.2
187.50124	2.6
188.02568	9.9
188.47269	6.1
189.47186	7.2
190.00456	13.0
190.48126	4.7
190.97916	9.9
191.02278	2.7
191.46339	2.8
191.51416	3.1
193.47839	2.5
196.95680	2.2
197.02441	5.5
197.47685	4.0
197.94644	4.8
197.97351	3.6
197.99232	12.3
198.47733	10.3
198.97723	2.5
199.97826	5.7
200.47017	6.9
202.01007	3.0
202.05661	5.2
202.48178	3.2
203.03996	6.3
205.98418	2.1
206.97115	7.8
208.94148	9.5
208.98181	9.2
209.44316	2.9
209.47395	54.8
209.97568	3.0
211.48613	9.7
211.98174	6.3
212.03580	3.3
212.50284	3.8
214.96638	23.3
215.03990	3.5
215.95386	9.7
217.94769	8.5
217.98947	2.7
218.04123	2.5
218.44638	4.5
218.47908	73.1
218.97820	12.8
219.01860	2.3
219.47954	3.4
220.02119	20.9
220.49164	10.9
220.98001	28.7
221.01831	8.6
221.05005	9.4
221.48384	5.0
223.02892	15.3
223.53339	6.6
224.02777	3.1
226.00941	3.3
226.95074	2.5
229.45337	8.3
229.49617	4.1
229.95302	2.7
229.98616	24.6
230.48756	3.9
232.03542	6.1
232.53804	4.7
233.03427	6.2
233.96660	3.4
238.45668	7.8
238.97588	3.7
239.06113	6.8
239.45798	2.1
241.00487	3.5
244.01991	10.0
244.06473	2.8
244.11513	2.1
245.05115	7.3
254.94669	2.2
256.97284	4.7
262.03186	92.3
263.02939	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	243.1817
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05491	2.1
56.05034	1.4
56.96570	13.3
58.33691	0.9
60.05652	26.2
67.05495	1.7
68.05054	1.1
69.03412	1.8
69.07068	22.8
69.62493	2.9
69.62922	3.2
70.06596	67.4
71.05006	1.9
71.93022	0.9
72.08160	5.6
72.93785	1.5
73.02914	1.3
74.02429	1.4
74.83128	0.8
79.05499	2.0
81.03430	1.6
81.04545	7.4
81.07055	2.2
83.04963	1.7
84.04503	11.3
84.08142	2.8
85.02888	1.8
86.09710	17.0
88.03976	1.1
90.94830	1.1
91.05473	1.9
93.07018	2.9
94.02962	1.5
95.06138	1.0
95.08588	2.2
97.02897	1.4
97.06554	1.9
97.07640	1.3
98.97608	5.6
105.07047	1.2
105.54456	1.0
107.04945	1.4
109.02882	1.0
109.06570	1.3
110.97616	1.3
112.08733	4.3
114.10313	1.6
115.08682	4.8
116.07094	31.7
116.98603	2.9
117.03384	1.2
119.08638	1.2
121.06525	7.0
123.08063	1.2
127.05077	5.2
128.11856	6.6
130.09775	11.1
132.10190	4.5
133.09692	2.4
135.04399	1.1
137.10753	1.0
143.00165	1.7
147.04475	1.1
149.01224	3.6
149.86696	1.0
149.96095	1.3
155.00252	1.5
158.09270	12.2
163.03868	5.8
173.01193	1.7
174.02365	1.5
175.11916	14.3
189.00697	1.6
192.03406	2.4
197.05891	1.1
197.12906	6.2
198.15993	8.9
201.00722	2.5
206.04837	2.4
215.04736	1.2
219.01799	3.8
225.09149	1.9
225.14958	1.1
225.17067	1.4
237.02844	1.8
243.02130	1.2
243.06557	1.5
243.10176	4.5
243.13469	7.4
243.18184	100.0
244.09740	1.6
261.05576	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.1593
Annotation	Ieodomycin A
Peak:m/z	Relative Intensity
53.03939	5.2
55.01873	6.9
55.05513	25.4
56.96565	15.7
57.03439	8.7
57.07065	2.3
59.05000	20.7
61.02911	4.1
65.03932	2.5
67.05505	52.4
68.99800	3.0
69.03413	4.3
69.07065	20.3
71.01340	3.0
71.04991	50.0
71.08563	1.3
73.06560	1.7
78.26733	1.2
79.05494	53.0
81.02937	1.5
81.03417	32.9
81.07053	65.9
83.04979	21.2
83.08617	16.4
85.02895	4.3
85.06544	11.9
87.04463	8.2
91.05480	62.6
93.07047	41.7
95.04964	15.8
95.07998	1.6
95.08607	30.3
97.02888	2.3
97.06538	23.4
97.10156	4.3
98.97579	3.7
99.04432	2.6
99.08120	2.8
101.05992	2.9
105.06311	1.7
105.07028	41.0
107.04942	5.2
107.08592	41.0
109.06522	12.3
109.10159	8.5
111.04415	4.6
111.08067	10.0
113.06007	6.3
115.05423	1.8
115.95850	1.5
117.07010	3.3
119.04975	1.3
119.08582	28.7
121.06509	2.6
121.10143	34.7
123.04411	1.9
123.08083	8.4
123.11692	7.6
125.05994	1.7
125.09624	1.4
127.07542	2.6
129.07013	16.5
129.96019	1.1
131.00159	1.4
131.08577	32.2
133.10129	47.4
134.42339	1.2
135.08055	3.0
135.11682	2.2
137.09631	3.2
137.13261	1.3
139.03905	20.6
139.11128	1.7
140.04247	1.9
140.93237	1.2
141.05461	1.6
141.07050	1.3
142.07719	3.6
145.10083	3.6
147.08041	4.8
147.11687	53.0
149.09621	45.0
149.13211	1.6
150.03122	1.5
151.11166	3.4
155.08603	1.3
156.09303	1.4
157.08945	2.2
157.10136	24.9
159.04448	1.9
163.11237	1.6
165.12697	6.7
167.10704	9.1
169.10162	2.6
173.05972	3.1
175.03951	1.7
175.11179	28.8
179.14328	3.1
182.04018	1.3
183.11856	1.4
187.13345	1.5
193.12245	47.5
197.13522	2.8
197.15346	23.7
199.13286	9.5
201.15039	1.6
207.13849	4.2
208.05699	1.5
210.59183	1.5
211.13289	35.0
214.14706	6.6
215.07033	1.5
222.05466	4.5
225.00764	1.5
225.14850	100.0
229.07645	1.7
231.05936	2.1
243.06516	4.4
243.10126	5.5
243.13770	3.2
243.15918	3.5
243.18497	16.8
243.21190	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	243.02
Annotation	Unknow
Peak:m/z	Relative Intensity
56.12320	0.1
56.96566	0.3
60.83207	0.1
69.30412	0.9
82.99834	1.0
94.79684	0.1
97.92886	0.1
98.21638	0.2
98.75764	0.1
98.97583	1.7
101.00880	6.5
102.00922	0.1
116.98693	0.9
119.01923	8.9
122.97828	0.3
134.99864	0.8
137.02956	0.9
140.98836	1.8
157.01950	0.2
158.99893	4.7
161.03043	0.1
164.98846	0.1
165.99707	0.3
175.03001	0.5
177.00948	18.4
178.01089	0.2
181.01944	0.2
182.99858	1.2
193.04048	0.3
194.98685	0.1
195.02058	0.2
197.02992	0.1
199.02998	0.3
200.02583	0.1
201.00912	4.1
201.02306	0.2
202.01057	0.1
217.04092	3.1
219.02000	23.5
220.02147	1.4
220.04282	0.2
225.00826	2.6
234.00722	0.5
237.98984	0.1
242.03589	0.3
243.01988	13.3
244.02193	0.2
261.03052	100.0
262.03226	1.3
263.03458	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.1547
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06591	0.5
60.08163	3.0
70.12264	0.6
94.06568	1.0
98.20790	0.2
104.10747	100.0
105.11091	0.3
116.07094	0.2
139.91431	0.3
152.07094	0.4
158.69853	0.2
228.64130	0.1
241.15529	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	242.1177
Annotation	(S)-N-Benzoyl-2-hydroxy-2-phenylethylamine
Peak:m/z	Relative Intensity
51.02386	0.6
53.03950	4.3
53.73043	0.3
55.01871	0.4
56.05027	0.3
56.96565	1.4
67.05497	0.4
69.03429	0.6
70.06590	2.2
70.18160	1.0
71.04998	0.9
77.03961	1.0
79.05491	0.8
81.03411	0.8
81.07041	0.5
85.02889	0.5
91.05485	13.3
93.06480	0.7
93.07047	10.4
95.04975	4.5
95.08630	0.6
97.02898	1.0
98.09657	0.4
98.97577	1.3
100.11300	0.8
101.11591	0.7
103.05465	6.0
105.03396	100.0
105.04539	2.8
106.03712	0.4
107.08588	0.5
112.67603	0.3
113.09712	0.5
116.98639	0.3
121.06509	74.6
122.06024	1.3
123.11716	0.4
126.09970	0.5
131.08591	0.3
136.06198	0.5
139.03914	0.6
158.99611	0.4
160.15265	0.7
168.07477	0.5
168.08963	0.5
179.89091	0.3
186.85916	0.4
196.08275	0.5
212.95461	0.3
214.09413	0.4
221.56238	0.4
224.07880	0.5
224.13466	0.5
237.00700	1.3
242.09106	1.8
242.11771	18.9
242.15257	1.7
242.17142	1.8
242.21297	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.0861
Annotation	Chrysarobin
Peak:m/z	Relative Intensity
55.01859	0.8
55.05508	0.8
56.96554	0.8
57.03421	0.6
57.07063	0.5
65.37202	0.3
67.05482	0.8
69.03412	1.5
69.07060	1.1
71.04990	0.5
71.52441	0.4
71.52813	0.4
74.73120	0.3
79.05484	1.1
79.10326	0.3
81.03399	0.4
81.07041	1.3
83.04948	0.4
83.08610	0.8
85.02893	0.4
91.05473	1.1
93.07037	1.5
95.04968	0.4
95.08572	0.6
97.02885	0.7
97.06513	0.6
98.97594	3.7
99.04446	0.5
101.00858	0.4
105.03400	1.7
105.07014	0.8
106.03716	1.7
106.97896	0.3
107.04942	0.5
107.08571	1.5
111.04478	0.5
115.05404	0.5
116.98615	1.8
119.08570	0.8
121.10132	0.9
123.08009	0.5
125.06002	0.8
128.06212	2.2
129.06999	2.2
131.08618	0.5
134.99669	0.8
135.11671	0.6
139.05421	1.3
141.06981	1.4
142.07770	1.6
143.01881	0.7
143.08563	1.0
145.10068	0.5
147.04437	0.5
152.06198	10.7
153.07024	1.9
155.08467	0.3
156.05695	0.4
157.06528	2.3
157.08948	0.3
157.10118	1.6
158.01180	0.4
158.99648	0.4
159.11632	0.6
161.02933	0.4
163.03954	0.6
163.11246	0.5
165.06993	4.1
166.07748	1.8
167.04924	2.0
167.07350	0.8
167.08566	23.5
169.06470	2.0
170.07265	0.7
171.04424	1.0
171.08055	0.9
175.03928	0.8
176.06212	0.7
177.00749	0.6
177.07025	2.2
180.05705	3.9
181.06476	5.9
183.08006	0.4
184.05197	6.4
185.06004	3.7
185.09583	4.3
194.07303	0.5
195.08049	36.9
197.05972	8.9
198.06740	7.4
199.03862	1.8
199.07552	2.6
200.04718	1.7
205.06461	1.1
205.12228	0.9
208.05136	0.5
211.07603	0.5
212.04683	4.3
212.08276	1.3
213.05502	8.5
213.09084	14.1
223.07541	34.1
225.05501	0.8
226.06256	10.7
241.08595	100.0
242.08946	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	240.1595
Annotation	Salbutamol
Peak:m/z	Relative Intensity
55.01665	0.4
55.01873	4.6
55.05503	1.0
56.05024	1.0
56.96559	0.5
67.05499	2.9
68.05031	2.9
69.03416	1.1
69.07070	12.3
70.02943	1.5
70.06593	13.9
70.67299	1.2
71.04996	16.1
72.04529	0.6
72.97218	0.5
79.05481	2.9
80.05008	0.9
81.04535	0.8
81.07048	3.4
82.06581	1.0
82.07373	0.4
83.04975	1.3
84.02123	1.0
84.08118	0.7
86.06075	2.8
91.05468	1.2
93.07040	1.1
94.06564	1.6
95.04987	0.5
95.07365	0.8
95.08600	1.2
96.04495	2.1
96.08135	18.2
97.05277	1.2
97.06517	1.4
98.06032	1.4
98.09691	7.6
98.97591	0.9
100.07643	0.5
105.07036	1.2
106.06571	4.5
107.08591	2.2
108.08128	5.0
109.06449	0.5
109.10145	1.1
110.06027	0.6
112.07634	1.0
120.08067	0.7
120.55745	0.4
122.06029	8.5
122.09660	0.7
124.07595	55.4
124.11221	1.3
125.08424	3.6
126.09117	1.2
129.86325	0.5
134.06038	0.5
134.09648	0.7
135.08002	1.1
136.07599	0.9
137.09637	0.7
140.07071	8.7
148.07570	1.0
150.12769	5.6
152.07080	2.8
152.10678	1.7
153.07860	8.4
153.09026	0.4
154.08658	1.0
166.08698	0.9
176.14339	3.1
181.13527	0.6
194.15402	8.6
204.13863	6.9
206.31290	0.4
222.14891	100.0
225.70824	0.5
240.09155	1.4
240.15747	3.9
240.19623	0.6
241.08821	0.5
259.59296	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	240.012
Annotation	Unknow
Peak:m/z	Relative Intensity
58.45439	1.0
70.12042	3.3
70.12393	1.2
72.07221	0.8
79.78130	0.9
101.00887	1.6
102.79837	0.9
118.85789	1.1
119.01916	2.7
120.95364	1.5
138.96426	18.0
139.64726	1.1
148.95966	1.0
156.97485	100.0
174.98549	44.0
179.99074	4.5
180.97427	2.6
194.68355	1.1
198.00114	3.4
198.50491	1.2
198.98546	59.6
214.00768	1.0
216.01157	1.2
216.99603	89.7
222.00174	3.3
240.01218	4.2
245.30501	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.237
Annotation	Bombykol
Peak:m/z	Relative Intensity
50.82199	0.4
53.00311	0.5
53.03941	0.8
55.05512	14.4
55.82839	0.5
57.07077	100.0
64.81241	0.5
65.03941	0.6
67.05508	33.6
69.07070	18.2
71.05002	0.7
71.08633	63.7
79.05486	2.8
81.07060	38.7
83.08623	24.0
85.06546	2.1
85.10185	33.1
87.32804	0.5
89.06038	1.3
91.05481	0.5
93.07046	2.1
95.08611	59.8
95.55006	0.5
97.10176	10.9
99.04450	1.3
99.08102	0.8
99.11769	1.1
107.08575	0.7
109.10164	21.7
111.11721	2.0
112.65799	0.5
116.97664	0.5
123.11700	7.3
133.06441	0.5
133.08574	0.7
137.13235	2.1
151.14784	0.7
169.10139	0.6
173.02396	0.5
237.94005	0.5
239.06660	0.8
239.08899	10.4
239.14400	0.7
239.17989	1.9
239.23672	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.2369
Annotation	Bombykol
Peak:m/z	Relative Intensity
53.00319	0.8
53.03949	0.7
55.05512	17.8
56.43822	0.4
57.03436	0.3
57.07077	100.0
58.21099	0.3
65.03938	0.8
65.50913	0.3
67.00330	0.3
67.05506	37.8
69.07070	18.2
71.05008	0.5
71.08633	63.9
71.52397	0.4
79.05492	3.4
80.68564	0.3
81.07057	41.5
83.08620	22.4
85.06548	2.4
85.10184	32.4
89.06046	0.5
91.05466	0.4
93.07050	1.8
95.08609	59.1
97.10172	10.2
97.28772	0.4
99.08104	1.5
99.11726	1.1
100.09660	0.4
107.08636	0.5
109.10155	23.0
111.11714	1.5
116.71726	0.3
123.11707	6.6
125.13312	0.6
126.76893	0.4
137.13266	2.6
165.16493	0.4
177.50818	0.3
218.13597	0.4
221.22621	0.5
239.08876	4.8
239.17976	1.3
239.23674	1.8
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	3,7,11-Trimethyl-1,4,6,10-dodecatetraene-3,8-diol
Peak:m/z	Relative Intensity
53.03949	4.9
55.01878	5.5
55.05514	28.9
56.96575	14.0
57.03444	4.5
57.07068	7.0
59.05003	5.7
65.03961	2.5
65.15521	2.4
67.05508	23.1
69.03441	19.1
69.07069	20.4
71.04996	39.4
71.52887	2.9
72.51228	2.3
79.05122	2.8
79.05505	29.3
81.07061	100.0
83.04980	23.2
83.08614	7.1
84.70932	2.1
85.02902	7.1
85.06526	7.2
91.05491	17.7
93.07048	37.8
95.04980	21.3
95.08610	31.8
97.02892	18.2
97.06538	16.5
97.10191	6.2
98.97592	42.0
99.04465	2.5
99.08088	27.9
103.05422	3.0
104.07087	2.8
105.03390	36.5
105.07027	39.1
107.08593	42.0
109.02867	2.3
109.06512	18.9
109.10160	35.2
111.08083	7.8
115.05465	3.5
116.98604	12.5
117.07037	4.6
119.08594	24.3
121.06509	4.2
121.10143	31.0
123.08084	8.0
123.11724	17.4
124.20556	2.5
125.09661	14.8
127.07568	11.0
127.11195	20.3
131.08575	14.8
133.10143	67.0
134.99670	2.4
135.08064	6.7
135.11714	16.0
137.09612	5.7
139.11203	9.5
143.10732	7.1
145.10133	20.2
147.11687	19.4
149.02371	4.3
149.09610	5.1
149.13275	14.3
151.11197	50.1
153.12750	7.6
155.10698	7.4
156.08006	4.8
156.13933	3.5
158.99689	14.6
159.11685	19.7
161.13300	7.8
162.10883	2.5
163.11160	6.6
165.06897	3.7
165.12802	4.6
173.13315	4.7
175.14818	5.3
177.00681	11.8
177.12672	5.7
177.16402	5.9
181.10185	3.0
191.14319	4.7
194.07057	9.1
195.08075	5.9
196.09151	2.7
201.12830	3.0
201.16364	15.6
213.61365	2.8
219.09731	18.1
219.13858	8.9
219.17442	24.0
222.10251	4.5
228.10118	18.6
237.10742	8.8
237.12791	8.1
237.14810	4.9
237.18602	30.8
237.22159	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	237.185
Annotation	Godotol A
Peak:m/z	Relative Intensity
53.03948	4.3
55.01871	3.4
55.05513	21.4
56.96568	12.2
57.03423	2.7
57.07059	6.8
59.05015	12.4
60.95858	2.8
65.03922	2.7
67.05515	31.3
69.03427	15.6
69.07085	19.9
70.47812	7.7
71.04995	27.6
72.08154	4.1
79.05494	35.8
81.07058	100.0
83.04969	8.7
83.08615	10.1
83.45363	2.8
84.08151	2.7
85.02918	5.8
85.06551	18.7
87.93005	2.6
91.05487	36.2
93.06490	3.8
93.07047	58.7
93.07629	4.0
95.04969	8.4
95.08614	33.0
97.02885	11.3
97.06517	13.3
97.10133	2.9
98.97584	34.7
99.04443	3.8
99.08097	32.8
102.96851	6.2
103.05475	38.5
105.03401	27.8
105.07035	43.3
107.04967	6.1
107.08593	41.8
108.08094	3.8
109.06533	16.5
109.10155	38.0
110.97586	3.1
111.04428	3.9
111.08086	8.0
113.05992	3.7
115.05476	6.0
116.98653	13.2
117.03429	3.1
117.07002	13.6
119.08603	34.0
120.08083	3.0
120.23029	2.9
121.06492	6.9
121.10157	25.1
123.08055	9.2
123.11716	18.3
125.02360	4.1
125.09630	12.2
127.07575	16.5
127.11206	18.8
128.98561	4.5
129.06996	9.7
131.04945	28.0
131.08559	25.3
133.06456	2.5
133.10141	42.5
135.08054	6.6
135.11702	11.2
137.06068	3.5
137.09641	7.9
139.11134	4.6
141.06926	5.8
143.08562	4.3
143.10687	3.8
144.05728	5.2
145.06471	6.1
145.10114	29.0
147.04433	3.6
147.11731	13.7
149.06004	3.8
149.09622	6.1
149.13268	8.8
151.07529	3.6
151.11188	36.5
153.07161	2.5
153.09065	3.1
154.03929	15.4
155.08582	7.5
155.10690	9.3
157.06514	2.9
157.10156	3.4
158.99654	11.9
159.04671	4.5
159.08073	17.3
159.11678	22.4
161.05968	2.8
161.09575	3.6
161.13234	12.2
163.04335	4.5
163.11156	6.6
165.12778	5.9
167.08606	4.8
169.12222	3.4
173.13281	4.9
175.07501	3.8
177.00716	9.3
177.05475	9.2
177.09160	2.7
177.12766	8.0
181.10181	8.0
187.07541	10.9
191.06879	3.5
191.14417	3.7
191.17949	6.1
194.10916	3.8
195.11700	7.1
196.09190	2.8
201.09137	3.4
201.16440	16.3
203.07545	3.1
207.10036	5.4
209.13255	7.4
216.08211	5.2
219.01787	4.6
219.09955	27.3
219.13806	7.9
219.17422	33.9
225.08766	3.0
233.05121	2.5
237.07407	3.6
237.11055	10.0
237.12769	12.8
237.16418	14.3
237.18472	28.7
237.22134	8.9
238.10707	5.8
238.14403	11.4
239.60884	3.6
249.02837	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	237.1849
Annotation	Sirenin
Peak:m/z	Relative Intensity
51.02388	1.9
53.03935	2.8
55.01870	4.7
55.05511	15.7
56.96560	11.5
57.03428	5.1
57.07070	5.3
59.04992	9.7
65.03927	3.3
66.70874	2.0
67.05503	27.3
69.03439	12.7
69.07072	14.1
70.59563	2.1
70.92970	1.8
71.04993	42.9
71.52558	3.2
79.05499	25.2
81.07059	100.0
83.04968	4.0
83.08617	5.5
85.02872	2.0
85.06535	9.1
91.05481	22.2
93.07046	54.2
95.04975	10.2
95.08611	32.1
97.02921	4.1
97.06526	7.5
97.10188	3.4
98.97589	50.7
99.08101	40.4
102.96872	6.8
103.05466	3.2
105.03405	16.2
105.07034	42.4
107.04905	2.4
107.08591	40.5
109.06517	14.6
109.09457	3.7
109.10151	34.8
110.97578	4.2
111.04450	2.4
111.08086	3.4
113.05991	2.8
113.09679	1.9
115.07534	2.7
116.98582	11.8
117.07011	5.5
118.77648	2.0
119.08591	22.0
121.06487	2.6
121.10141	22.0
123.08055	5.2
123.11697	24.0
124.02939	2.1
125.09637	13.4
127.07567	19.0
127.11174	21.4
128.98599	3.1
129.07034	2.7
130.07794	2.0
131.08609	12.4
133.10121	44.8
134.99680	3.4
135.08060	3.3
135.11665	12.2
137.09636	6.1
139.11172	6.1
143.08405	2.0
143.10674	4.6
144.05765	2.7
144.09346	2.5
145.01729	3.6
145.03252	2.5
145.10114	20.2
147.11678	15.4
149.09633	3.5
149.13248	11.9
151.11182	41.7
154.03882	19.3
155.10706	10.8
156.60907	2.2
158.99648	22.5
159.08058	2.7
159.11720	16.9
161.13261	10.6
163.04390	12.1
163.11169	5.1
165.12706	3.9
169.12239	4.8
173.13264	5.3
175.14752	4.1
177.00735	15.4
177.05479	6.3
177.12785	4.2
177.16370	2.9
179.14288	2.8
187.07500	3.5
191.14154	2.2
191.18019	4.8
193.08064	3.7
196.98274	2.0
201.16367	17.3
219.06401	2.8
219.09663	33.6
219.13950	2.7
219.17421	29.7
225.08679	2.4
228.10124	6.2
233.05154	2.4
237.07469	3.7
237.10941	5.8
237.14658	3.5
237.16676	2.9
237.18561	22.8
237.22160	2.6
238.14296	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	237.1234
Annotation	Unknow
Peak:m/z	Relative Intensity
54.46732	0.3
55.05513	0.9
56.05040	2.3
56.96555	0.4
57.07086	0.4
59.04996	0.3
59.84193	0.3
65.03946	0.3
67.05506	0.6
69.03424	0.6
69.07084	0.5
69.29004	0.9
69.29424	1.7
71.05004	0.9
72.08153	0.4
79.05505	0.7
81.07069	1.4
84.04506	54.2
84.08147	0.3
85.02912	1.4
86.09703	0.6
89.03915	0.6
91.05478	2.4
93.05787	4.5
93.07052	0.8
95.04999	0.4
95.08614	1.0
98.69623	0.3
98.97607	0.5
102.05533	1.2
105.03427	0.6
105.07027	1.0
106.06586	0.3
107.08617	0.5
108.08120	100.0
108.34949	0.3
109.06531	1.0
109.08453	0.3
109.10173	0.7
110.53963	0.3
111.04536	0.3
111.18570	0.3
114.96265	0.3
117.03367	0.6
119.08638	0.4
119.79671	0.3
121.06570	0.4
121.10149	0.7
123.14588	0.3
129.10300	0.3
129.94193	0.3
130.05002	17.0
131.08568	0.7
133.10143	0.6
134.06004	0.8
145.02777	0.3
145.10104	0.5
147.11708	0.4
149.05992	0.5
151.11226	0.7
159.11674	0.5
161.13165	0.4
163.07645	0.3
173.10844	0.7
174.09152	0.7
177.05473	2.0
177.09164	0.3
177.12706	0.4
191.11839	1.1
191.17967	0.4
195.11829	0.4
201.16376	0.5
215.04132	0.4
219.11285	0.5
219.13527	0.3
219.17465	0.5
220.09688	10.5
225.08733	0.4
233.05078	1.1
237.12419	5.2
237.14729	0.4
237.18518	0.8
237.22186	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	235.1694
Annotation	10-Hydroxy-3-longipinen-5-one
Peak:m/z	Relative Intensity
50.43604	1.0
53.03932	2.2
55.01862	1.7
55.05512	7.6
57.03425	1.2
57.07079	8.2
58.96126	1.3
59.04985	4.1
67.05512	9.8
69.03421	7.5
69.07076	13.7
70.63821	1.0
71.04993	8.1
77.03916	1.2
79.05494	11.1
81.07061	15.8
83.04985	2.6
83.08616	6.2
85.06552	4.9
91.05480	18.2
93.07043	20.1
95.04980	8.4
95.08608	22.7
97.06520	7.7
99.98754	1.9
105.07034	35.8
107.04976	2.3
107.07877	1.9
107.08597	33.4
109.06521	8.2
109.10158	16.6
111.08060	4.4
115.05453	1.4
117.06997	6.0
119.08584	98.7
121.06477	3.0
121.10152	18.4
123.08057	4.8
123.11693	4.9
125.09595	1.2
128.06215	3.3
129.07068	2.0
131.08572	16.1
133.06456	3.3
133.10136	53.8
135.08055	18.5
135.11691	9.2
137.09634	6.7
139.11200	1.6
142.07771	4.3
143.08580	12.1
144.09337	1.8
145.06522	1.5
145.10132	13.1
146.07277	2.6
147.08060	7.4
147.11702	19.9
148.08891	1.1
149.09636	4.8
149.13263	2.8
149.69177	1.0
151.11197	8.9
156.07269	1.0
156.09329	3.0
156.71420	1.0
157.10141	13.0
158.10886	2.7
159.08058	1.6
159.10474	1.3
159.11699	14.7
160.08838	1.3
160.12566	1.2
161.09625	64.7
161.13210	5.4
169.10081	1.5
170.10899	2.4
171.03326	1.4
171.11674	9.8
173.09732	1.1
173.13277	23.8
175.11200	13.2
175.14821	19.6
177.12715	5.7
179.10669	14.8
184.12457	2.5
187.11189	3.0
187.14804	7.3
189.12767	2.5
189.16388	24.3
191.14339	4.0
193.15881	4.7
199.14845	12.5
202.13530	2.6
217.15883	100.0
229.13519	1.6
235.06012	1.5
235.16936	82.3
235.20670	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	234.135
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	1.5
57.03439	2.7
62.45698	0.3
69.91569	1.3
79.05483	1.1
81.07065	4.5
91.05491	0.8
94.04045	0.7
99.08076	0.4
104.10732	0.3
111.04418	0.6
119.03574	2.4
121.06495	2.4
136.06190	100.0
137.04578	1.1
148.06204	0.4
155.07045	0.5
164.07085	0.6
173.05905	0.3
173.08131	1.0
175.07561	0.5
182.03564	0.3
190.10934	1.6
217.10670	2.0
220.07910	0.3
234.13498	79.8
235.13756	0.3
247.18213	0.3
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	CHEBI:69963
Peak:m/z	Relative Intensity
53.03938	1.8
55.01867	1.2
55.05510	4.3
56.96566	4.1
57.03416	1.1
57.07060	2.9
61.59637	0.7
65.03948	1.9
67.05242	0.6
67.05509	7.7
69.03092	0.9
69.03435	14.3
69.07069	5.1
71.04987	4.1
71.52946	0.9
79.05495	15.8
81.07063	11.4
83.04964	2.1
83.08614	4.4
85.06539	2.4
86.45890	0.8
91.05487	18.6
92.42881	0.8
93.07047	12.7
95.04975	27.7
95.08623	8.6
97.02837	1.3
97.06554	5.5
97.10191	1.0
99.04412	0.8
103.05466	1.8
105.07035	21.8
107.04966	10.3
107.08601	17.9
109.02895	1.8
109.06522	7.8
109.10167	7.5
111.04435	2.3
111.08075	1.5
115.05461	3.0
116.06249	1.0
116.94907	0.8
117.07027	6.8
119.08587	100.0
121.06490	6.7
121.10152	16.9
123.04416	1.2
123.08107	3.9
123.11692	6.1
125.09644	1.8
128.06210	1.8
129.06976	2.5
130.07808	1.2
131.04932	1.4
131.08589	15.7
133.06511	6.2
133.10144	9.2
135.08067	5.2
135.11684	3.0
137.06020	3.6
137.09610	2.0
139.03908	5.0
142.07806	1.7
143.08582	3.9
144.09349	1.4
145.06477	4.3
145.10132	18.1
147.08051	3.9
147.11688	14.9
149.09633	10.6
149.13252	1.8
150.03047	1.0
151.07605	1.1
151.11143	1.4
155.08543	5.1
156.09343	3.1
157.10138	7.6
158.10921	1.6
159.08054	5.9
159.11713	6.9
161.05980	0.9
161.09615	1.6
161.13264	3.2
163.07574	1.5
167.08549	3.1
169.10127	3.6
171.11682	6.8
173.09637	7.0
173.13272	13.4
175.07587	1.4
175.11162	3.5
175.14807	2.0
176.04660	2.0
177.05444	1.3
177.09109	2.8
177.12885	1.0
182.10892	6.1
187.07524	1.1
187.11156	2.0
187.14842	8.1
189.05464	0.9
189.12767	7.5
191.03406	8.7
191.06985	1.0
191.14308	11.6
197.13293	11.0
200.11960	2.0
205.08578	2.6
205.15897	1.4
215.07065	1.4
215.10985	1.3
215.14330	18.8
215.17847	5.7
233.04344	1.1
233.08090	13.5
233.11925	5.9
233.15378	61.3
233.19025	9.0
233.20929	3.3
233.22926	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.1537
Annotation	Hypacrone
Peak:m/z	Relative Intensity
53.03937	1.7
55.01862	0.8
55.05501	2.6
56.96554	1.3
57.03406	0.7
57.07064	2.3
59.04984	0.6
60.44026	0.5
67.05511	3.8
69.03434	4.6
69.07063	2.0
71.04959	1.2
71.52757	0.7
71.53141	0.7
72.04510	1.0
74.57047	0.5
79.05496	32.9
81.07068	4.7
83.04971	2.5
83.08627	3.3
85.02911	0.6
85.06540	3.2
91.05482	6.4
93.07050	7.5
95.04958	7.0
95.08602	4.6
97.06507	1.7
103.05438	1.1
103.46159	0.6
105.04516	0.8
105.07034	12.5
107.04955	35.0
107.08583	9.8
107.30714	0.6
109.06508	2.4
109.10150	1.3
110.06102	0.7
111.08101	2.8
111.88214	0.6
113.06026	1.4
115.05417	1.1
117.07025	3.6
119.08583	13.6
121.06512	3.2
121.10146	5.7
123.08024	0.9
123.11705	0.6
125.09679	1.4
129.07008	2.1
131.08572	12.5
132.09294	0.6
133.06470	1.2
133.10136	8.7
135.08064	3.6
135.11674	1.6
137.09634	5.1
141.06981	0.9
142.07770	1.5
143.08571	1.9
145.06474	1.4
145.10132	14.8
146.10901	1.0
147.08049	13.1
147.11694	14.5
149.09641	6.4
149.13277	3.0
151.03764	0.7
153.09035	0.7
155.08514	1.2
156.09352	1.3
157.10126	7.5
158.10910	2.2
159.08063	1.3
159.11725	2.2
160.08849	1.5
161.09650	0.6
161.13283	0.9
163.11217	3.8
169.10080	0.9
171.11693	2.5
172.12476	1.5
173.09625	1.7
173.13266	10.7
175.11182	21.6
176.04688	2.4
177.05464	0.7
177.09079	1.4
182.10881	1.5
187.11189	0.9
187.14822	5.6
189.12752	8.1
191.14311	43.8
197.13239	3.2
201.09535	0.7
205.08614	1.4
205.12398	0.6
205.15918	1.0
213.57855	0.7
215.07132	0.7
215.10860	0.7
215.14316	10.1
233.08018	5.0
233.11580	3.0
233.15372	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	231.2108
Annotation	Unknow
Peak:m/z	Relative Intensity
51.18531	0.8
53.03934	1.8
55.05511	8.2
57.07061	3.4
64.49778	0.9
67.05507	21.5
69.07059	9.5
71.08623	1.2
71.37840	1.3
79.05492	32.3
81.07054	30.1
83.04970	1.1
83.08624	5.4
91.04904	1.3
91.05479	24.2
93.07043	50.1
93.26586	0.9
95.04970	2.3
95.08611	25.9
95.83292	0.9
97.10165	2.1
105.04554	1.0
105.06403	1.4
105.07036	15.3
107.08596	18.6
109.10145	7.9
111.04405	1.6
119.08586	11.9
121.10149	17.7
123.11700	3.8
131.08545	2.8
133.10144	18.2
135.11700	11.9
137.12206	0.8
137.13258	3.6
143.08600	1.2
145.10147	1.3
147.11684	14.1
149.13261	24.7
151.14764	1.0
161.09625	1.1
161.13255	20.2
163.14778	5.7
163.55585	0.8
173.13278	1.2
175.14836	14.1
185.02969	1.9
189.16371	5.6
196.54572	0.8
203.17938	2.0
208.04587	1.0
231.06340	1.0
231.17368	2.8
231.21077	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.0423
Annotation	Unknow
Peak:m/z	Relative Intensity
55.42126	51.6
71.50684	60.9
104.14893	51.7
221.91263	61.5
233.04236	100.0
233.06310	88.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.081
Annotation	6-Hydroxymusizin
Peak:m/z	Relative Intensity
53.03935	1.1
55.01879	3.7
55.05511	1.2
56.96561	2.1
57.03196	0.6
57.03441	7.1
67.05514	2.4
68.99783	4.9
69.03431	2.3
69.07050	1.0
69.82680	0.5
70.04079	0.5
71.01352	0.9
71.13548	0.5
79.05499	4.5
81.03419	1.4
81.07064	6.3
83.01337	0.8
83.04962	1.2
85.02919	0.5
91.05486	8.7
93.07047	3.7
95.04968	3.6
95.08607	3.0
97.02887	1.2
97.06517	0.7
97.10181	0.5
98.97601	0.8
103.05464	0.5
105.03357	0.7
105.07051	4.6
106.08732	0.5
107.04966	3.9
107.08578	4.0
109.02865	2.1
109.06512	4.1
109.10152	1.3
110.10525	0.5
115.05460	2.3
116.06239	1.5
117.07019	3.9
119.04947	1.8
119.08582	5.6
120.05743	0.9
121.02851	0.8
121.06517	5.8
121.10147	1.8
123.04408	2.5
123.08075	0.8
125.02364	0.9
128.06223	0.5
129.06967	1.2
131.04939	0.8
131.08563	7.2
133.06496	1.6
133.10127	1.3
135.04430	5.8
135.08055	9.1
135.11723	0.6
137.05994	4.3
137.09558	0.7
139.03906	0.9
141.07004	3.0
144.05687	1.2
145.06497	2.3
145.10143	2.1
147.04384	3.6
147.08046	1.5
147.11702	1.0
148.05203	1.4
149.06006	5.2
149.09625	4.7
151.03911	23.0
155.07036	1.4
159.04456	0.8
159.08064	6.2
159.11691	1.5
160.99266	0.7
161.05975	2.9
162.06786	1.1
163.03957	2.4
163.07553	13.7
165.99475	0.8
169.06447	1.1
173.05983	1.3
173.13248	0.8
175.03944	1.2
175.07620	0.7
175.82393	0.5
176.04691	11.2
177.05530	3.9
177.09108	11.1
179.00192	1.6
179.07082	0.5
186.18562	0.8
187.02686	0.6
187.07526	9.5
189.03943	0.4
189.05452	13.0
189.09123	0.7
190.06241	1.5
191.03366	3.1
191.07027	6.8
197.01213	1.8
203.07158	0.8
205.08604	46.9
207.06526	1.6
209.01357	0.5
212.04163	0.9
215.07033	5.0
215.10669	0.7
215.14323	1.3
215.17876	0.9
221.04674	1.2
227.02319	0.8
233.08093	100.0
233.15361	2.9
233.18996	2.0
233.22939	0.7
234.08475	1.1
234.20699	1.2
245.08115	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	231.1016
Annotation	Mansorin C
Peak:m/z	Relative Intensity
53.03947	0.7
55.01873	0.4
55.05512	6.0
56.96558	0.5
57.03425	0.7
67.05517	1.9
68.05843	0.3
69.03428	3.1
69.07060	0.8
69.49038	1.8
71.05000	1.7
79.05495	1.2
81.03419	1.5
81.07063	1.6
83.04964	0.5
83.08627	0.3
85.02898	1.9
85.06538	0.3
85.10166	0.6
87.00821	0.6
91.05483	1.7
92.27525	0.3
93.07041	2.0
95.08598	2.1
97.02883	1.1
98.97556	0.7
99.04460	1.1
103.05489	0.4
105.07037	1.8
107.04956	0.3
107.08598	1.2
109.02870	0.5
109.10175	1.3
111.04448	0.5
113.06031	0.3
115.05450	7.2
116.98622	0.3
117.07011	0.7
119.08586	0.7
121.06493	0.9
121.10130	0.4
126.71929	0.3
127.03901	0.7
128.06233	0.5
129.05420	0.5
129.07021	0.8
131.04906	0.3
131.08540	0.7
133.06497	1.5
133.10143	0.4
134.99672	0.3
135.11690	3.3
142.07770	0.6
143.04922	17.4
143.08574	0.8
145.10121	0.9
147.04428	1.4
148.05208	0.3
149.05997	0.3
149.13254	0.4
153.05365	0.3
153.12743	1.6
157.06543	0.6
157.10141	1.1
159.04439	0.3
159.11731	0.5
160.05190	0.4
161.05980	21.8
162.06311	0.3
163.02611	0.4
167.08545	1.1
168.98055	0.4
171.04443	0.9
171.08104	0.5
171.11681	0.6
172.03001	0.3
173.05931	0.4
173.13234	0.4
175.03873	0.8
175.07521	0.8
176.04701	4.1
177.05467	4.1
177.12738	0.3
185.02931	0.5
185.06017	0.5
185.09579	1.3
185.13237	0.4
186.99103	0.6
187.07629	0.4
189.05464	100.0
190.05859	0.5
195.08083	1.1
195.13811	0.9
203.06927	0.3
203.10670	1.0
212.44896	0.3
213.09074	1.9
213.12721	0.7
213.14755	0.4
231.02826	0.6
231.06496	1.2
231.10153	21.8
231.13892	1.0
231.17421	0.9
252.25830	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	231.0864
Annotation	Unknow
Peak:m/z	Relative Intensity
51.21105	0.6
53.03941	3.0
55.05513	37.8
56.96560	3.2
57.03441	4.1
57.07077	6.0
59.04998	2.7
67.05502	2.6
67.34155	0.7
68.99813	3.1
69.03435	14.8
69.07082	2.3
70.79436	0.6
71.05000	7.8
71.08637	5.7
71.52174	1.1
71.95217	0.6
72.08153	1.6
74.02450	0.8
75.86065	0.6
79.05498	28.6
81.03429	3.8
81.07058	100.0
83.04978	12.2
83.08619	16.0
85.02925	4.7
85.06550	11.3
87.00835	38.3
87.05597	1.1
88.04015	1.6
91.05494	1.8
93.07021	1.3
95.05003	0.7
97.02916	3.2
97.06563	1.1
98.97584	9.4
99.04467	2.6
99.08100	13.3
101.06021	1.3
105.01865	4.4
105.03407	1.0
105.07074	0.8
107.04940	0.8
107.08627	0.9
109.02893	2.4
109.06521	53.0
110.97597	3.0
115.05523	0.9
116.98611	3.7
117.09145	5.9
119.08614	0.7
127.03928	1.9
127.07561	66.6
128.07979	0.6
128.98628	2.6
129.07065	1.2
130.06502	1.0
133.06119	2.6
134.99684	0.9
143.00188	1.6
145.08607	19.8
146.99614	0.8
147.04433	2.7
151.37064	0.7
157.06490	1.4
157.10153	1.1
158.09685	5.3
158.99741	0.7
161.01247	2.1
161.06056	1.1
168.08154	1.9
170.99599	1.5
171.02847	1.0
175.07536	1.2
177.00748	0.8
185.06058	1.2
185.09613	1.0
185.13153	0.8
189.00746	1.9
189.05531	1.2
201.00882	0.8
203.07063	1.5
213.05478	1.0
213.09190	1.0
214.10780	1.1
231.06581	5.0
231.08644	5.3
231.10277	1.8
231.13875	1.9
249.02956	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	230.1904
Annotation	ROLICYCLIDINE
Peak:m/z	Relative Intensity
55.05499	0.3
56.96558	0.6
67.05515	0.8
68.05856	0.3
69.03427	0.3
69.07055	0.3
70.06567	0.2
71.04987	0.1
71.52655	0.1
81.07039	0.4
83.08610	0.2
85.84634	0.1
86.06070	0.5
88.07568	0.1
91.05460	0.2
93.07046	0.3
95.04980	0.2
95.08587	0.2
97.02860	0.2
98.06062	0.4
105.07050	0.2
109.10167	1.0
110.10487	1.3
116.98565	0.2
119.08575	0.3
120.08899	0.2
121.06497	1.4
124.12028	0.2
127.11204	0.3
128.11517	0.5
130.06483	0.7
133.10139	0.3
134.10413	0.2
144.96570	0.2
158.09634	1.2
172.11177	0.9
173.12013	2.7
174.12021	0.2
176.57896	0.2
180.11023	0.2
186.12715	1.0
187.13567	7.1
188.14333	1.1
194.08244	0.2
198.10789	0.2
200.14343	1.8
201.15091	0.3
202.15900	0.2
207.11450	0.3
214.15918	8.9
215.16707	2.0
219.12521	0.2
228.17499	0.2
230.19046	100.0
231.19374	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1799
Annotation	3,6,9-Trihydroxy-4-megastigmene
Peak:m/z	Relative Intensity
51.88195	1.0
54.48918	1.1
55.05511	10.4
56.96543	1.7
57.03425	1.1
57.07073	2.0
58.52386	0.9
59.04990	3.5
65.70277	1.1
67.05507	16.9
68.05826	2.8
69.03426	1.5
69.07075	7.9
70.06572	2.3
71.04997	8.7
71.52301	0.9
79.05490	3.4
80.66392	0.9
81.07057	7.9
83.04983	1.1
83.08620	9.5
84.04487	3.2
85.06541	5.0
85.10146	1.2
86.09664	0.9
87.04462	0.9
91.05472	3.1
93.07067	7.6
95.04977	16.7
95.08616	28.6
96.05296	3.8
97.06541	11.7
98.97577	1.2
99.03922	1.4
99.04465	12.6
99.08099	100.0
100.11264	5.1
101.00875	2.4
101.05996	1.2
105.07033	3.4
107.08594	8.2
109.06509	2.3
109.10164	44.6
111.08051	2.7
113.05985	2.8
113.09641	1.5
114.98599	0.9
117.09145	2.1
119.01926	7.5
119.04963	1.0
119.08573	6.9
119.87303	0.9
121.10142	4.2
123.08119	2.1
123.11708	3.1
125.09633	1.3
127.11201	2.1
129.09105	3.0
130.04996	2.0
133.03462	5.0
133.10132	5.2
135.11693	13.1
137.02946	1.9
137.09630	12.8
147.04407	2.4
147.11708	1.1
149.13205	1.9
151.04498	1.8
151.07527	1.2
151.11198	1.2
151.14867	1.0
153.12776	1.7
155.10666	21.1
163.03842	1.2
173.72610	1.0
175.14883	8.0
183.08025	1.4
193.15901	10.4
211.11653	7.3
211.16948	32.1
212.12833	2.3
215.07707	1.4
229.04955	1.8
229.08949	7.5
229.12399	1.2
229.15427	3.6
229.17979	4.6
249.03104	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1799
Annotation	Tectoionol A
Peak:m/z	Relative Intensity
53.03930	3.8
55.01852	2.6
55.05516	34.4
56.96548	5.5
57.03436	14.0
57.07058	7.9
57.07322	1.7
59.05006	10.8
61.27500	1.8
63.81808	1.8
67.05508	77.8
69.03430	11.4
69.07070	17.4
69.94420	1.8
71.04989	13.4
71.52810	2.1
76.02791	1.6
79.05470	7.4
81.07059	28.8
83.04991	34.0
83.08630	27.1
83.68114	1.9
85.06558	17.7
87.04417	2.3
91.05476	11.8
93.07048	18.4
95.04983	11.3
95.08612	21.6
97.02924	2.3
97.06507	3.9
97.10175	2.8
98.97552	2.9
99.00812	4.4
99.08104	11.0
101.05984	6.7
105.03373	15.1
105.07049	10.7
107.08596	23.6
109.06524	4.4
109.10162	100.0
111.08058	5.8
117.07022	3.5
119.08592	12.9
121.06411	1.9
121.10142	10.7
123.11704	25.3
125.09658	10.0
127.11205	16.6
131.08531	6.3
133.10077	9.3
135.11711	18.4
137.09602	4.4
142.09753	2.0
143.08531	2.9
145.10075	5.4
146.91806	3.3
147.11653	6.0
149.13254	7.4
151.03908	33.5
151.11137	6.9
151.14740	1.8
153.12796	9.2
155.08545	4.7
155.10629	4.8
156.09364	1.8
159.11656	4.0
163.75328	2.1
167.14314	19.3
169.10066	5.2
169.12256	24.3
171.11790	2.0
171.13774	4.1
173.06071	1.9
173.09575	4.6
173.11716	17.7
173.13193	4.1
175.14767	8.2
183.11696	2.5
185.13260	3.4
185.15340	6.7
193.12267	4.0
193.15852	11.0
201.05307	1.9
201.16356	2.5
206.65552	1.8
211.07605	3.4
211.13148	2.4
211.14909	4.1
211.16939	47.6
213.14673	15.3
214.15395	2.9
229.05095	2.8
229.08647	34.6
229.12268	4.4
229.14040	22.7
229.15971	10.3
229.17809	90.1
229.23276	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	229.18
Annotation	3,6,9-Trihydroxy-4-megastigmene
Peak:m/z	Relative Intensity
52.62736	0.8
54.34058	0.9
55.05510	12.4
56.96561	1.1
57.03429	2.4
57.07058	2.6
59.04987	3.1
60.22097	0.9
65.65311	1.0
67.05508	15.0
69.03419	1.7
69.07072	10.2
70.06585	1.8
70.47250	0.8
70.96017	1.3
70.96334	1.7
71.04996	9.9
71.55692	0.8
72.08167	1.1
79.05480	3.5
81.07055	13.2
83.04988	3.2
83.08622	13.8
85.06529	3.9
87.04467	1.1
89.00900	1.0
91.05476	4.8
92.05828	1.2
93.07047	15.8
95.04976	14.5
95.08610	34.2
97.06524	3.4
97.10149	1.5
98.97589	1.3
99.04456	10.3
99.08096	100.0
105.03403	1.5
105.07043	5.1
106.03676	1.2
107.08597	20.8
109.06552	1.7
109.10156	56.4
109.52714	0.9
110.12041	0.9
111.08064	4.1
111.11729	1.5
113.06039	2.0
113.09637	2.9
117.06901	0.9
117.09109	2.4
119.04919	1.4
119.08582	11.5
121.10132	4.7
123.08103	2.2
123.11698	3.8
125.13273	1.2
127.07601	1.1
127.11179	6.7
128.23520	0.9
131.08569	1.0
133.10106	7.7
135.11693	37.8
137.09619	14.0
147.04424	2.5
147.11693	1.5
149.13255	2.0
151.11192	1.6
151.14832	1.8
153.12733	22.4
155.08586	1.2
155.10677	22.5
158.99655	1.3
171.13794	9.8
175.14836	12.2
183.14896	0.9
193.15886	12.9
194.65437	1.0
201.48648	0.9
211.16931	37.7
212.12885	1.4
229.08627	1.5
229.15916	1.5
229.17868	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	229.1799
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	0.9
55.05508	8.3
56.96561	1.4
57.07079	1.2
59.05005	2.7
64.75993	0.9
67.05511	12.4
69.03396	1.6
69.07064	3.7
69.69955	1.8
69.70370	3.2
70.06604	4.7
70.06924	1.0
71.04997	6.4
72.08164	1.5
79.05495	4.2
81.07056	8.9
83.04971	2.4
83.08622	6.3
84.08176	1.0
85.06525	2.2
85.10212	1.0
86.09705	1.7
91.05486	3.9
93.07043	8.1
95.04969	12.6
95.08611	24.1
97.02803	1.1
97.06554	2.1
98.20797	1.0
99.04469	11.1
99.08097	100.0
101.06017	1.5
103.05468	1.3
105.07042	2.6
107.04945	1.4
107.08594	4.8
109.06571	1.2
109.10159	44.5
111.04459	1.1
111.08089	2.1
113.06019	2.2
113.09644	2.5
115.93523	0.9
117.09126	4.1
119.08598	6.6
121.02853	1.0
121.06528	4.9
121.10158	2.4
123.08080	1.9
123.11719	2.2
125.09679	1.7
127.07513	1.7
127.11124	1.2
133.10135	3.4
135.11681	10.3
137.09612	12.2
149.13257	1.4
151.11220	1.5
155.10672	22.3
157.06483	1.5
163.03903	5.5
167.07086	1.9
169.03508	1.7
175.14821	7.0
183.07964	1.1
193.15921	9.7
203.04105	1.3
211.11511	1.9
211.16951	33.3
229.04985	2.5
229.08521	2.3
229.15906	2.0
229.17921	5.6
229.23534	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1436
Annotation	9-Peroxy-5,6E-dehydro-6,7-dihydrogeranyl acetate
Peak:m/z	Relative Intensity
53.03948	0.8
53.90423	0.7
55.05512	12.5
56.96566	0.9
57.03440	20.4
57.07091	2.0
59.05001	5.8
65.03946	1.8
67.05508	100.0
68.05847	1.1
69.03436	1.7
69.07063	4.6
69.99245	1.4
69.99640	1.3
70.06592	0.7
71.05001	4.8
79.05487	3.9
81.07061	15.3
82.85215	0.6
83.04995	2.8
83.08624	10.1
83.74820	0.6
85.02933	0.6
85.06558	5.1
91.05486	7.3
93.07041	6.1
95.04988	1.5
95.08610	9.0
97.06509	1.3
97.10146	1.0
98.97604	1.7
99.08094	6.2
101.06017	0.8
103.03963	1.7
105.07041	2.5
107.08598	4.9
109.06547	0.8
109.10161	94.0
111.08084	4.4
117.07034	1.0
119.08590	9.0
121.06482	0.8
121.10148	2.0
123.11709	2.5
125.09631	1.3
127.11201	1.7
129.07010	0.7
131.08568	0.9
133.10112	2.1
134.74446	0.6
135.04390	1.9
135.11719	1.8
137.09625	5.3
147.11691	2.4
149.13329	1.1
153.06921	0.9
155.08583	2.1
155.10687	8.6
157.10014	0.7
167.14355	0.8
169.10158	0.8
169.12279	1.1
172.31847	0.7
173.05960	1.0
173.11748	27.9
183.08060	1.1
185.15295	0.8
185.16901	0.7
187.04008	1.1
193.12247	1.5
193.15871	1.6
201.09119	2.0
211.07614	1.0
211.16911	6.5
212.16486	1.5
229.04922	2.2
229.08620	5.7
229.14325	44.8
247.38730	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1435
Annotation	9-Peroxy-5,6E-dehydro-6,7-dihydrogeranyl acetate
Peak:m/z	Relative Intensity
55.01875	1.0
55.05510	8.5
56.96570	2.3
57.03439	20.9
57.07074	1.8
58.30377	0.6
59.05001	5.7
60.14422	0.7
64.54900	0.6
65.03959	1.4
67.05505	100.0
69.03439	1.4
69.07059	3.3
70.06589	1.0
71.04977	4.4
71.52449	0.7
79.05492	3.1
80.68168	0.7
81.03386	0.7
81.07061	15.7
83.08614	8.0
85.06561	2.3
91.05482	6.7
93.07043	4.7
95.04984	1.7
95.08604	8.1
97.06530	1.3
98.97578	2.4
99.04488	0.8
99.08114	2.0
103.03938	1.4
105.07045	1.6
107.08613	3.9
109.10158	94.1
110.10525	0.7
111.08080	4.2
115.05441	0.8
116.98594	1.5
117.07016	1.0
119.01896	1.0
119.08570	7.4
121.10176	1.0
123.11709	0.8
125.09608	3.8
131.08566	0.8
135.11697	0.6
137.09607	4.6
137.65256	0.7
145.10233	0.7
147.11714	1.0
155.08598	0.9
155.10681	9.3
158.99689	0.8
159.11679	1.0
169.10112	0.7
173.01181	0.7
173.05904	1.1
173.11736	30.4
188.53015	0.7
196.09300	0.8
196.59525	0.9
201.09041	0.9
211.07458	0.8
211.11089	0.8
211.13289	0.7
229.08551	1.6
229.14319	42.1
229.19347	1.2
229.23663	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1435
Annotation	9-Peroxy-5,6E-dehydro-6,7-dihydrogeranyl acetate
Peak:m/z	Relative Intensity
55.05274	1.2
55.05510	12.4
56.05852	2.2
57.03206	1.1
57.03439	18.4
57.07062	1.4
59.05009	4.8
65.03934	1.3
67.05505	100.0
68.05827	3.4
69.07079	4.8
70.21390	1.0
70.46896	1.8
71.04980	3.7
79.05474	2.3
81.06602	1.1
81.07061	20.1
82.07377	3.3
83.08610	9.9
84.08947	2.9
85.06538	2.8
91.05465	4.2
93.07039	4.6
95.08608	14.2
95.44971	1.1
96.08939	7.5
98.10507	1.1
99.08083	1.3
107.08585	2.0
108.08936	1.1
109.10159	85.3
110.10483	4.3
111.08071	3.8
119.08570	6.6
120.08873	1.4
125.09631	1.5
134.10446	1.2
137.09595	3.9
152.15135	1.4
155.10664	7.7
167.33307	0.9
173.11743	30.4
176.15178	7.7
194.16185	3.6
195.77718	0.9
196.11804	0.9
221.12358	0.8
229.14339	43.4
229.19740	1.9
229.23534	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1435
Annotation	9-Peroxy-5,6E-dehydro-6,7-dihydrogeranyl acetate
Peak:m/z	Relative Intensity
55.05515	8.6
57.03440	19.7
57.07065	1.3
59.05006	6.0
65.03934	1.6
67.05508	100.0
69.07072	1.7
71.04996	2.9
79.05505	2.1
81.07060	14.5
83.08625	6.9
85.06553	3.0
91.05492	5.4
93.07056	3.9
93.32211	0.6
95.08606	5.2
107.08609	2.6
109.10162	90.6
111.08083	4.0
119.08570	7.5
127.11209	0.8
137.09618	4.5
143.67932	0.6
144.23898	0.6
155.10695	8.3
173.11745	29.9
174.17982	0.6
229.14365	43.0
229.19403	1.3
229.23560	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	228.1748
Annotation	erythrinan
Peak:m/z	Relative Intensity
55.05497	0.4
56.96567	0.3
57.07065	0.3
67.05489	0.3
69.07050	0.5
69.36111	1.2
81.03405	0.3
81.07030	0.4
82.07340	0.2
83.04983	0.1
85.02915	0.2
87.29549	0.1
91.05476	0.2
93.07041	0.2
95.04959	0.2
95.08604	0.4
98.21542	0.3
98.97561	0.4
101.11559	0.2
106.72858	0.2
109.10143	0.3
116.98593	0.3
119.08562	0.2
121.06277	0.1
131.08577	0.2
137.80144	0.1
139.83852	0.2
156.08075	0.9
158.09596	0.3
170.09621	0.9
171.10451	1.4
172.11119	0.2
173.01201	0.2
174.13583	0.2
179.68951	0.2
182.09512	0.2
184.11224	0.9
185.12000	0.9
186.12825	0.3
198.12808	1.8
199.13614	0.4
211.13351	0.3
212.14351	25.4
213.15120	3.9
217.11044	0.2
226.15877	0.4
228.17482	100.0
228.23257	2.0
229.17686	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.086
Annotation	Benzophenone-3
Peak:m/z	Relative Intensity
51.02380	0.5
52.03157	0.3
53.03947	2.4
55.01880	0.4
55.05508	1.2
56.96562	0.9
57.03447	1.6
59.04996	0.3
65.03934	0.7
67.05505	6.5
69.03441	0.5
69.07070	0.6
69.37638	1.1
69.38069	1.1
71.04980	0.4
77.03929	0.6
79.05486	0.6
81.03416	1.0
81.07068	1.5
83.04969	0.5
83.08611	0.8
86.77553	0.3
91.05479	1.1
93.07048	0.6
95.04374	0.5
95.04974	9.1
95.08602	0.6
97.99169	0.4
98.20684	0.6
98.97565	0.4
99.00830	0.3
105.03393	43.1
105.07030	0.7
107.08625	0.6
108.02102	0.8
109.10156	5.6
111.08065	0.5
116.00199	0.3
119.08566	0.9
121.10135	0.5
123.04420	0.6
123.11654	0.3
125.48798	0.3
127.11127	0.3
129.06990	0.3
131.08577	0.4
133.10118	0.3
135.11723	0.3
144.92624	0.3
145.10091	0.5
147.11716	0.6
151.03905	100.0
152.04161	0.4
155.10712	0.5
157.10031	0.3
167.08989	0.5
168.05687	0.4
173.11774	1.9
173.13092	0.5
174.08453	0.3
175.11116	0.3
187.11182	0.3
193.12221	1.4
211.07585	1.4
211.11606	0.3
211.13170	1.4
211.16949	0.6
213.14677	1.0
229.08601	60.2
229.13989	2.2
229.17696	4.1
230.08960	0.4
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
51.25562	0.4
55.01873	0.7
55.05515	0.9
56.05027	1.0
56.96558	0.8
57.03424	0.9
60.67536	0.4
62.71328	0.5
65.03940	4.2
67.05505	47.7
67.50214	0.5
68.05043	0.9
68.96331	0.4
69.03415	0.6
69.07077	0.7
70.06592	19.4
71.52301	0.6
72.04510	1.0
74.41979	0.4
79.05485	1.0
81.03442	0.5
81.07045	1.6
84.04522	0.5
85.06493	0.5
85.52077	0.4
85.52611	0.4
91.05498	1.1
93.07034	1.0
95.04969	100.0
95.08600	0.8
97.06550	2.4
98.97569	1.0
100.11223	0.6
106.06563	0.6
108.08167	1.1
109.06567	0.5
109.10157	0.5
113.06010	2.5
114.05525	1.5
116.07096	15.5
121.06476	1.0
130.05035	0.5
134.56477	0.4
138.49161	0.5
148.11171	0.5
164.10730	3.4
166.12227	0.8
167.06985	0.6
168.07353	0.9
182.11694	1.3
182.15419	1.9
184.09753	0.5
184.13358	1.8
210.11255	96.8
210.14819	4.0
211.11533	0.9
228.12257	3.8
228.15897	2.4
228.23225	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	227.1644
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	0.6
54.14935	0.4
54.69878	0.4
55.01868	0.5
55.05514	37.7
56.05855	0.7
56.96568	0.5
57.07073	3.3
65.03912	0.6
67.05504	1.9
69.03431	1.1
69.07065	1.7
69.42719	1.6
69.43145	1.4
70.06583	0.9
71.05006	2.2
72.08167	0.4
79.05482	1.4
81.07063	1.8
82.06584	14.0
83.04987	10.4
83.08622	20.1
84.08137	1.0
84.08955	0.6
85.06557	1.2
91.05476	1.1
91.58123	10.0
92.08255	0.5
93.07042	1.8
95.04980	1.5
95.08607	1.1
97.06537	0.7
97.10183	0.4
98.09692	2.8
98.21568	0.4
99.04469	3.8
100.07640	5.2
100.09456	12.8
100.11261	100.0
101.11593	1.6
105.07021	0.8
107.08621	2.0
109.06551	0.8
109.10175	1.1
110.06048	15.4
111.03714	0.7
111.04445	9.5
112.07631	2.0
114.09166	6.0
117.13895	6.7
120.10992	0.7
121.06477	0.5
121.10128	1.2
123.08064	0.8
123.11722	0.5
125.09615	1.0
126.09174	2.4
127.08708	0.8
128.07072	4.7
129.05487	0.6
131.04871	0.4
131.08597	0.6
133.10141	1.3
133.11760	1.2
134.10706	0.4
135.11729	0.9
139.08636	0.7
140.07056	0.8
140.10718	1.9
141.11491	29.4
141.61633	1.0
142.08704	0.7
143.11794	2.9
145.10074	0.5
146.10622	0.5
147.11594	0.6
149.06041	0.7
149.09663	0.7
149.13268	0.5
151.11188	0.5
154.12282	9.0
155.11284	3.1
159.04364	0.5
162.01895	0.4
163.64388	24.8
164.14534	2.3
166.15915	1.6
167.07072	4.7
168.13876	1.2
172.15710	6.0
172.65912	0.7
173.13290	0.8
177.05505	1.2
182.15419	27.3
183.13963	0.4
183.15785	1.0
183.18533	0.5
191.14384	0.9
192.13731	0.5
196.23265	0.4
199.18062	16.3
204.66528	2.9
205.18073	1.3
206.17039	1.0
209.08173	0.6
209.11679	0.6
209.16579	9.6
210.14894	9.8
213.17804	64.5
213.67952	5.0
218.17088	1.6
225.15962	2.8
226.19202	2.3
227.07011	0.5
227.12666	0.6
227.17648	12.5
244.20253	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	227.1643
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.4
54.78481	0.4
55.01867	0.7
55.05516	6.0
56.02647	1.6
56.96566	3.3
57.03445	0.8
57.07080	1.2
60.92673	0.4
60.95870	0.8
65.03939	0.8
67.05510	21.7
69.03439	1.1
69.07073	4.0
70.12157	0.8
70.12541	1.1
71.04996	100.0
79.05495	8.5
79.05923	0.8
81.03432	0.7
81.07060	28.7
81.71164	0.5
83.04999	2.4
83.08633	2.9
85.06538	3.0
91.05486	5.6
93.07048	13.9
95.04984	2.1
95.05496	0.4
95.08613	14.4
97.02929	0.4
97.06547	3.6
97.10194	1.5
99.04463	0.5
99.08132	1.1
100.11256	4.6
105.07037	3.8
107.04951	0.6
107.08600	7.5
109.06521	1.5
109.10136	2.9
111.08112	1.9
113.05989	1.1
113.96431	0.6
117.07027	4.0
119.08553	2.3
121.06541	1.2
121.10133	2.8
123.08064	0.6
125.09622	2.2
128.06223	0.4
129.07039	0.6
131.08563	4.7
133.10132	4.0
135.08066	1.5
135.11702	11.6
143.08592	1.6
145.10175	1.9
147.11760	0.6
149.06018	0.6
149.13275	5.6
150.50923	0.5
151.11206	0.6
153.09206	0.6
153.12801	0.8
157.10196	1.6
159.11702	8.6
163.11247	1.8
165.07516	1.0
167.07086	1.7
171.11755	1.7
174.08063	2.4
174.58167	0.6
175.14960	0.5
177.12752	2.8
181.12280	1.1
183.08549	1.2
185.13354	1.4
185.58841	0.8
186.09053	1.3
191.10805	0.7
191.14351	0.7
192.09116	1.0
195.09663	1.6
195.13885	1.9
203.60043	0.9
209.11813	0.8
209.15135	3.0
227.07060	0.6
227.10738	1.0
227.12816	2.4
227.15486	4.2
227.17964	4.9
228.23506	0.5
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	MKN-003C
Peak:m/z	Relative Intensity
53.03944	3.6
55.01870	4.3
55.05510	25.0
56.22974	2.4
57.03443	12.2
57.07073	2.9
58.60637	2.4
64.09586	2.1
67.05507	81.9
69.07073	28.7
70.70036	2.8
70.70358	5.4
71.04985	11.6
71.08627	2.7
72.93806	2.3
79.05495	46.0
81.03421	4.0
81.06593	5.6
81.07061	100.0
83.04976	8.9
83.08618	21.6
85.06541	6.9
91.05479	21.7
93.07047	72.8
93.07636	3.8
95.04964	10.6
95.08611	28.8
97.06537	12.3
97.10164	5.3
99.08095	3.7
100.11269	31.8
105.07035	11.7
107.04970	4.1
107.08604	40.2
109.06511	5.8
109.10175	4.8
109.80006	2.4
111.08076	9.1
113.06053	2.8
116.98566	3.0
117.07019	13.3
119.08578	4.6
121.06551	3.6
121.10134	21.7
125.09617	6.4
131.08575	12.9
133.10114	15.2
135.08078	5.5
135.11705	18.3
142.07693	2.6
145.10104	4.9
147.11754	2.9
149.09741	2.5
149.13260	59.0
159.11717	29.9
163.11249	3.2
167.02164	2.5
177.12798	13.4
195.13795	22.3
196.66093	2.3
209.16579	3.2
227.10172	5.5
227.12686	7.1
227.14551	5.1
227.17802	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	227.1642
Annotation	Blumenol B
Peak:m/z	Relative Intensity
53.03937	1.9
55.05514	4.0
56.02639	0.9
56.96571	3.4
57.07071	0.7
67.05505	21.4
69.06747	0.6
69.07067	3.9
69.94631	1.7
71.04996	100.0
72.05325	0.9
77.03934	0.5
77.47877	0.5
79.05493	8.7
81.07059	30.6
83.04994	1.6
83.08640	3.3
85.06531	2.5
86.66845	0.5
91.05489	5.5
93.07048	15.0
95.04996	1.1
95.08610	16.2
97.06536	4.4
97.10175	1.0
98.21512	0.6
99.04448	0.7
99.08109	1.3
100.11264	3.3
105.07011	2.7
107.05051	0.6
107.08592	6.8
109.06540	1.0
109.10158	2.9
111.08105	2.1
113.05996	0.6
117.06998	4.0
119.08616	1.1
121.06564	1.1
121.10159	1.8
123.08063	0.6
123.11738	0.5
125.09684	1.0
131.04967	1.7
131.08585	4.7
133.10133	5.1
135.08093	1.2
135.11700	11.4
149.13257	6.3
151.11186	0.7
156.84055	0.6
158.55092	0.7
159.11700	8.1
167.07088	1.4
171.11690	0.7
175.14914	1.2
177.05516	0.7
177.12732	4.2
179.57416	0.9
185.57549	0.7
195.13814	3.1
209.15474	1.9
215.09390	0.8
224.09843	1.1
227.12921	2.0
227.18001	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1642
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	3.7
55.05303	2.3
55.05512	23.1
56.96566	4.0
57.03438	12.6
57.07069	8.6
65.84610	2.6
67.05506	81.3
69.07065	28.0
71.04993	13.1
71.52548	3.8
79.05500	43.0
80.05827	7.0
81.03410	2.8
81.07059	100.0
81.07531	5.8
83.04977	8.9
83.08613	18.6
85.06527	7.6
91.05483	24.9
93.07045	82.8
95.04967	6.3
95.08620	28.7
97.06538	18.7
97.10162	8.1
97.47560	2.5
99.08089	4.8
100.11257	29.6
105.07022	11.2
107.04958	9.3
107.08596	37.7
108.05310	6.4
109.06558	3.3
109.10130	5.1
111.08105	12.4
117.06996	8.5
119.08577	5.6
120.05597	8.9
121.06534	3.8
121.10147	20.7
123.08040	2.6
123.11709	3.4
125.09614	4.4
131.08574	14.0
133.10089	15.3
135.08060	5.3
135.11705	24.6
149.13271	62.7
157.10182	3.9
159.11687	27.2
160.57935	2.7
161.01500	2.3
163.11203	5.0
171.11749	2.7
177.12733	12.0
185.13240	2.7
195.13823	30.3
213.14848	3.2
227.10086	37.9
227.12726	10.8
227.17870	15.8
227.19821	3.5
228.23125	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	227.1641
Annotation	MKN-003C
Peak:m/z	Relative Intensity
53.03942	1.1
55.01881	1.4
55.05509	6.2
56.02657	1.0
56.96571	2.1
57.03432	0.6
57.07076	1.4
63.72871	0.6
65.03937	0.7
67.05506	21.8
69.03432	0.8
69.07078	5.1
71.04996	100.0
71.38527	0.8
71.38858	0.8
74.06202	0.7
75.86330	0.7
79.05494	11.0
81.03471	0.7
81.07057	29.1
83.04997	2.1
83.08630	3.6
85.06539	2.6
91.05479	5.0
92.44978	0.7
93.07047	15.3
95.04985	1.8
95.08613	15.3
97.06544	5.0
97.10172	1.7
99.04469	1.2
100.11259	7.9
105.06995	3.3
107.04954	0.9
107.08606	7.6
107.38583	0.6
109.06536	1.9
109.10182	2.8
111.04465	0.9
111.08112	2.9
113.05982	1.2
115.05391	0.7
116.98669	0.9
117.07033	3.7
119.08627	2.3
121.06575	1.3
121.10120	3.4
125.09639	2.9
127.07552	0.9
128.00836	0.6
129.06992	1.2
130.06587	0.7
131.08583	6.5
133.10152	5.6
135.08064	1.2
135.11697	11.7
139.07594	0.6
142.56606	0.7
143.08594	1.7
145.10155	1.7
149.09734	1.5
149.13266	6.9
151.11211	0.7
153.09181	1.0
157.10197	1.5
159.11714	8.5
161.13322	1.2
163.11220	2.0
167.07133	1.4
171.10310	1.0
171.11612	1.2
177.12764	3.8
186.22221	1.3
191.14310	1.2
195.10559	0.8
195.13853	2.5
204.10971	0.7
206.61076	0.6
209.11786	1.0
209.15489	2.6
218.17198	0.7
227.12704	3.7
227.18039	5.2
231.33041	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1642
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02377	1.7
53.03948	8.5
55.05510	2.9
56.96565	9.2
59.05016	1.1
67.05508	1.3
69.03432	7.6
69.07072	3.3
70.83418	1.3
70.83727	1.0
77.03942	2.5
79.05500	3.1
81.03420	1.0
81.07046	4.9
83.04976	3.0
83.08632	1.9
84.96043	2.9
87.04485	1.7
88.12888	0.7
91.05479	2.4
91.45631	0.7
93.07051	6.7
95.04975	8.6
95.08627	5.0
97.06541	1.4
97.10168	1.8
98.97587	15.0
99.04426	1.1
99.08090	1.6
100.11272	3.0
105.03396	100.0
105.04551	3.0
105.07023	2.3
106.03725	8.0
107.08591	6.5
109.06512	1.7
109.10156	3.1
110.97568	1.3
111.08076	1.2
112.99137	2.2
116.98636	3.3
119.08653	1.3
121.06554	0.9
121.10148	10.7
123.08076	1.1
123.11727	8.9
125.09632	29.0
131.00179	4.7
131.08586	0.8
133.10124	2.3
135.08054	1.8
135.11696	1.3
139.07568	1.1
139.11238	0.9
140.98660	1.1
143.00191	2.2
144.98135	0.9
147.11714	1.3
149.01222	3.9
149.09636	14.3
149.13289	1.1
150.97026	5.0
151.11205	5.0
153.09126	6.7
154.09897	1.2
161.01205	0.9
163.14833	2.5
165.12775	1.0
167.07037	1.9
167.10670	11.0
168.98094	13.1
170.99576	1.3
173.01224	2.4
173.13135	0.9
186.99152	9.1
191.02322	1.7
191.14334	4.2
201.00746	2.8
205.00272	1.1
206.03381	3.0
209.15372	11.1
215.03918	12.2
215.54091	3.8
219.01767	7.7
224.04492	1.6
225.00769	1.7
226.54720	1.8
227.16428	2.6
237.02652	0.9
243.01746	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1642
Annotation	Annuionone G
Peak:m/z	Relative Intensity
53.03938	4.3
55.01875	5.7
55.05511	18.7
56.96552	4.0
57.03432	8.2
57.07079	4.7
59.04998	5.1
67.05511	16.8
69.03429	18.0
69.07055	21.1
69.48252	21.7
70.06591	3.0
71.04994	19.0
79.05482	21.0
81.07063	32.0
83.01348	8.1
83.04980	17.7
83.08622	13.4
85.02885	4.2
85.06540	13.1
91.05491	17.9
93.07043	40.8
95.04967	75.3
95.08614	26.9
97.02904	8.4
97.06519	30.0
97.10149	6.9
98.20715	4.6
98.97607	7.7
99.04462	34.5
99.08099	38.8
100.11266	13.6
101.00889	5.6
101.06011	8.6
105.07056	23.7
107.04909	4.6
107.08594	55.5
109.06523	23.7
109.10175	29.0
111.04462	4.3
111.08076	10.9
113.09561	4.7
113.19567	3.9
113.34585	3.2
115.07566	35.7
117.07036	3.9
119.01888	5.3
119.08617	11.3
121.06499	16.6
121.10149	58.0
123.04423	4.4
123.08102	18.8
123.11710	10.9
125.09642	29.0
127.07542	3.7
131.08585	14.0
133.10139	57.4
135.08083	25.3
135.11682	10.5
137.09636	14.4
139.07501	7.5
139.11168	10.5
143.01898	11.3
145.10135	9.0
147.11665	9.8
149.06007	12.0
149.09641	52.8
149.13272	24.2
151.11172	30.6
153.09122	33.5
158.10854	4.9
161.02977	9.6
163.11160	8.0
163.14806	22.0
165.12816	3.8
167.07065	57.1
173.13283	27.6
177.05588	16.0
181.10130	5.3
181.15872	4.2
191.10709	4.9
191.14294	48.3
206.59752	5.6
209.08168	9.7
209.11671	4.6
209.15367	100.0
215.10245	7.0
215.60466	5.6
227.10551	4.3
227.16464	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	227.1641
Annotation	Annuionone G
Peak:m/z	Relative Intensity
53.03934	4.7
55.01861	7.5
55.05513	54.2
55.10970	2.6
56.96563	6.8
57.03432	10.6
57.07071	10.7
59.04991	7.1
65.03970	3.5
67.05505	33.7
69.03432	20.2
69.07069	34.4
69.10713	2.9
70.01337	12.9
70.06602	3.2
71.04997	63.5
73.02892	3.7
79.05502	34.6
81.03422	7.8
81.07060	57.0
82.06585	6.2
83.04976	23.3
83.08615	32.0
85.06538	17.7
91.05480	27.2
91.58107	7.4
93.07043	47.1
95.04968	64.9
95.08604	39.0
97.02911	4.3
97.06538	21.8
97.10198	14.1
98.09737	3.2
98.97590	12.3
99.04460	80.8
99.05106	3.9
99.08097	16.5
100.07652	3.1
100.09438	8.6
100.11263	76.5
103.05476	8.6
105.07037	24.8
107.04969	10.7
107.08598	73.1
109.06525	21.9
109.10161	33.7
110.06074	6.4
111.04431	12.3
111.08106	17.9
113.05964	3.9
113.09684	6.2
114.09155	7.8
115.07610	8.1
116.98611	5.8
117.06956	5.2
117.13892	6.8
119.08585	15.9
121.06495	22.8
121.10141	43.3
123.04401	7.5
123.08053	15.8
123.11688	15.2
124.05196	3.3
125.05994	4.4
125.09638	29.1
127.07591	3.2
131.04929	7.4
131.08533	20.0
133.02899	3.2
133.06470	2.6
133.10143	39.1
134.03627	3.9
135.08052	21.5
135.11676	13.3
137.05972	13.5
137.09601	8.2
139.07542	4.0
139.11180	12.5
140.04665	5.0
140.10732	4.9
141.11511	14.2
142.08684	3.1
143.01945	3.7
143.10722	3.3
145.10123	11.9
147.11678	17.8
148.05301	4.2
149.05959	13.5
149.09613	28.4
149.13275	20.7
151.11189	22.3
153.01247	2.6
153.07048	2.9
153.09129	24.6
153.12775	3.4
154.12238	5.4
155.07069	5.1
157.10100	4.6
159.04442	4.3
163.03995	3.8
163.11191	12.1
163.14824	16.0
163.64398	16.2
165.12799	9.7
167.07040	100.0
167.08446	6.6
167.10695	6.0
168.13824	4.6
169.12282	10.0
171.10176	11.3
173.13295	27.4
177.00639	3.0
177.05453	28.2
181.04970	4.5
181.12250	5.4
182.15384	18.9
183.13875	13.1
185.29535	3.1
191.10614	4.5
191.14322	31.2
196.13361	2.9
196.56155	4.0
199.18105	8.5
202.15932	3.9
205.32736	3.2
209.08197	14.3
209.11842	14.4
209.15111	31.9
210.14954	4.1
213.17792	31.6
213.67947	5.7
227.07016	12.2
227.10747	5.9
227.12776	6.4
227.16133	52.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1278
Annotation	Erigerenone B
Peak:m/z	Relative Intensity
50.40944	0.9
53.03941	1.4
55.01865	2.7
55.05508	14.9
56.96562	4.3
57.03439	5.4
57.07071	3.1
59.05000	2.4
65.03937	2.1
67.05503	11.3
68.99780	8.5
69.03433	6.5
69.07066	7.8
69.28606	2.2
69.29020	7.5
71.04994	26.7
76.48722	1.1
79.05495	11.5
81.03441	2.0
81.07058	22.0
83.04961	6.3
83.08620	36.6
85.06556	6.3
85.10175	4.3
85.13414	1.2
91.05485	29.0
91.23453	0.9
93.03414	1.3
93.07046	22.4
95.04974	30.5
95.08598	10.0
97.02882	2.0
97.06535	5.2
97.10178	2.9
98.97573	1.6
99.04456	35.4
99.08089	2.7
100.11250	9.8
101.02388	9.4
103.05470	2.1
105.07040	6.8
107.04955	2.5
107.08598	54.4
109.06522	29.1
109.10154	15.3
111.04453	4.6
111.08081	100.0
113.06010	3.5
113.09631	2.1
117.05584	1.2
117.07035	1.9
119.03406	5.1
119.08596	3.1
121.02874	5.0
121.06475	5.5
121.10151	11.1
123.04435	2.5
123.08056	8.2
123.11727	5.3
125.05943	1.6
125.09641	22.7
127.07544	3.4
127.11244	1.7
128.06238	1.6
129.07001	2.4
131.08580	6.2
133.10123	6.6
135.08035	14.9
135.11688	6.0
136.57103	1.2
137.05977	13.0
137.09657	1.3
137.13298	1.2
139.11185	3.5
140.04697	1.9
141.09145	1.6
141.22807	1.2
143.08566	3.8
145.05389	1.1
145.10133	4.8
147.11652	2.5
149.05981	4.1
149.09644	12.4
149.13303	3.7
151.07579	7.3
151.11182	2.4
153.07121	1.8
153.09106	54.9
153.12672	2.2
155.07042	7.1
155.08240	1.1
157.10187	1.7
159.04385	1.7
163.11131	8.1
163.14821	3.1
167.03387	10.5
167.07048	24.7
167.10739	5.8
169.08603	71.6
169.12326	1.9
171.11714	2.9
173.09697	1.2
173.13292	4.9
174.08051	2.9
177.05452	7.1
177.09143	4.1
181.04973	2.7
181.06462	1.6
181.09970	1.4
181.12265	2.9
183.13849	5.0
185.11746	21.5
185.13226	2.0
191.07062	1.6
191.10652	3.0
191.14346	5.9
195.10165	62.5
199.07491	1.6
209.08115	2.5
209.11790	3.4
209.13445	2.4
209.15250	14.8
227.06969	17.1
227.08841	1.3
227.10762	1.9
227.12724	11.3
227.16385	6.1
227.17924	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	226.1087
Annotation	6-Benzylaminopurine
Peak:m/z	Relative Intensity
65.03935	1.3
69.20591	0.5
69.21014	1.1
70.45110	0.1
91.05482	100.0
92.05811	0.4
98.20746	0.4
104.74374	0.2
148.06195	2.0
226.10878	74.3
227.11282	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1278
Annotation	Stagonolide
Peak:m/z	Relative Intensity
53.03931	2.4
55.01870	5.0
55.05506	11.7
57.03434	3.0
57.07092	0.6
59.05014	0.5
65.03933	1.0
67.05505	15.0
69.03414	1.7
69.07066	9.3
69.38010	2.0
69.38444	2.1
71.04984	2.3
73.02898	1.6
79.05491	24.6
81.03421	3.1
81.06590	1.2
81.07056	20.1
83.01360	0.9
83.04995	4.1
83.08622	9.3
85.06518	0.8
89.18465	0.5
91.05482	6.9
93.07043	35.8
95.04982	7.1
95.08607	40.5
97.02879	4.1
97.06535	3.4
97.10144	0.8
98.21584	1.0
99.04453	4.3
100.11258	1.5
101.26210	0.6
101.87582	0.6
101.88633	0.5
105.07034	6.7
107.04958	9.6
107.08595	25.6
109.06506	1.8
109.10160	3.5
111.04411	1.6
111.08039	1.3
113.06034	0.8
113.09636	0.6
115.05418	0.8
117.07018	7.8
119.08581	8.9
121.06502	7.1
121.10147	11.8
125.05989	3.0
125.09580	0.7
129.06989	0.5
130.07802	1.2
131.04901	0.6
131.08566	0.8
133.10103	2.8
135.08057	1.6
135.11691	47.3
137.13249	0.5
139.07524	2.1
143.08551	0.9
145.10123	27.9
149.09579	0.6
151.11104	0.6
153.12738	1.8
163.11179	69.0
165.05141	0.5
167.07037	3.2
171.11682	0.5
173.09610	1.3
177.05479	0.9
181.12241	16.7
209.11716	2.7
227.12776	100.0
228.13179	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.1486
Annotation	3-Oxo-2-(2Z-Pentenyl)cyclopentyl propionic acid
Peak:m/z	Relative Intensity
53.03926	1.5
55.05508	7.5
56.96553	3.8
57.03428	2.0
57.07064	4.0
59.04986	3.7
59.32559	1.4
67.05489	6.4
69.03427	2.5
69.07062	6.2
70.01026	6.1
71.04996	39.3
72.11115	1.4
79.05478	5.8
81.03384	2.6
81.07059	14.2
83.04977	6.3
83.08627	8.0
85.02890	4.8
85.06535	3.2
87.55114	1.2
91.05488	22.6
93.07041	6.3
95.04958	5.8
95.08608	14.5
97.06544	15.4
98.20869	2.0
99.04458	100.0
101.95025	5.2
103.05459	1.6
105.03394	2.9
105.07020	8.9
107.04955	4.2
107.08609	35.0
109.06531	24.3
109.10131	4.0
111.08064	2.4
111.11674	1.8
113.06010	2.2
113.09653	4.6
119.04949	13.2
119.08572	7.8
121.06528	1.9
121.10158	15.1
123.08070	26.1
123.11716	18.6
125.05937	2.3
125.09630	8.4
131.08542	2.5
133.10088	3.1
137.06036	1.7
137.09590	4.8
137.13223	3.7
139.11194	4.3
141.06947	1.4
141.09113	6.0
141.12706	2.7
145.10146	1.9
147.04427	11.5
147.11697	10.5
149.09616	19.4
151.07533	5.5
151.11140	2.2
153.09180	1.5
153.12747	1.4
155.08568	1.6
161.13223	5.4
163.11115	2.1
165.12759	20.4
167.10684	28.1
169.10027	2.0
171.11646	2.9
175.03929	17.0
179.07005	2.0
179.14279	4.2
183.06573	2.1
183.11880	2.6
183.13809	41.9
189.12721	10.6
192.04185	5.9
193.04926	1.5
193.12303	1.6
207.06535	22.5
207.13773	18.5
225.07425	1.8
225.09416	3.2
225.12749	1.9
225.14728	22.0
226.10896	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	225.1486
Annotation	Apiosporic acid
Peak:m/z	Relative Intensity
52.82692	6.7
53.03935	15.2
55.01858	7.6
55.05515	33.9
56.96558	24.3
57.03422	18.6
57.07066	9.2
59.05004	26.6
65.03909	5.3
67.05514	45.5
69.03429	40.1
69.07054	17.7
71.04972	18.3
71.52796	7.9
79.05487	41.9
81.03412	10.6
81.07052	53.3
83.04971	45.0
83.08605	10.2
84.04475	7.2
85.02909	54.5
85.06519	6.6
87.04472	14.4
89.03975	6.2
91.05476	84.2
91.48355	5.9
93.07043	51.8
95.04974	55.1
95.08611	71.4
96.08131	32.2
97.02892	13.8
97.06522	18.9
98.97569	17.5
99.04449	30.5
101.00896	10.1
101.94994	13.1
105.03405	18.1
105.04510	6.8
105.07035	69.8
107.04942	15.8
107.08588	81.6
109.06513	52.8
109.10177	32.1
110.97562	8.4
111.04406	6.3
111.08105	7.5
111.18973	6.2
113.06037	6.0
116.98671	7.9
117.03333	6.3
117.07018	10.6
119.01908	10.7
119.04940	51.5
119.08592	79.3
119.96040	8.6
121.06492	15.5
121.10141	44.4
122.51710	5.2
123.04426	31.6
123.08080	100.0
123.11697	11.5
125.06036	30.8
125.09589	16.0
130.05019	40.3
131.08572	9.0
133.10123	29.5
134.09659	43.1
135.08072	37.7
135.11693	36.9
137.05968	9.0
137.09642	70.6
139.07576	8.8
139.11163	15.9
140.04689	7.4
141.09097	33.4
142.03503	6.3
143.00162	5.6
143.08565	8.5
145.02869	6.5
145.10129	17.6
147.04385	39.0
147.08037	11.9
147.11684	30.5
149.05940	7.1
149.09605	24.0
151.07568	28.3
151.11211	9.3
153.09073	13.6
155.07036	15.7
156.09280	6.8
160.05669	9.4
161.02890	8.3
161.09619	17.0
161.13242	56.0
162.09132	43.2
163.03867	6.9
163.11151	43.0
165.05481	15.9
165.09120	22.2
165.12764	9.6
167.10637	18.9
169.06256	14.7
171.11633	14.8
175.03903	68.1
175.07814	6.3
177.05463	17.0
177.12688	8.8
179.07079	6.8
179.11896	13.0
179.14348	46.5
180.10194	6.8
181.08568	16.1
181.12239	12.4
183.06543	23.8
183.13779	5.7
189.09114	10.4
189.12727	35.2
192.04118	10.6
193.04984	12.6
195.10110	7.0
195.16061	14.9
207.06543	81.8
207.10324	7.2
207.13777	51.6
208.09731	89.3
219.01709	10.2
225.07320	10.9
225.09062	12.4
225.12389	22.3
225.14647	76.9
225.19647	13.6
237.02872	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	225.1485
Annotation	Apiosporic acid
Peak:m/z	Relative Intensity
53.03936	5.5
55.01876	2.4
55.05514	29.1
56.96575	9.1
57.03429	4.4
57.07055	2.0
65.03909	2.1
67.05508	52.5
68.12130	1.8
69.07063	10.1
69.50974	5.1
69.51373	10.0
71.04988	4.5
73.06543	2.9
79.05499	78.7
81.03424	5.4
81.07061	38.5
83.04987	35.4
83.08624	8.9
85.06543	3.7
91.05484	59.1
93.07047	100.0
95.04958	18.4
95.08608	21.4
97.06557	5.1
97.10180	3.8
101.95049	7.0
105.04511	3.9
105.07034	32.4
106.98229	2.1
107.04994	3.2
107.08599	15.6
109.06543	6.1
109.10162	3.2
115.05537	2.0
117.07018	7.7
119.08596	21.1
121.06540	2.0
121.10138	5.4
123.08079	5.6
127.07591	2.6
129.07019	19.2
133.10135	8.4
143.08575	9.8
144.06206	3.4
145.10168	9.5
147.08002	3.4
147.11687	56.5
149.09618	2.7
153.06772	2.2
161.09656	4.4
161.13261	12.9
171.10303	3.2
171.11688	30.4
179.10258	3.2
184.09370	8.6
189.12740	8.4
189.14304	1.9
193.09911	15.2
202.10425	6.4
207.13802	15.1
225.14790	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	225.1486
Annotation	Grasshopper ketone
Peak:m/z	Relative Intensity
53.03945	1.9
55.01883	1.3
55.05515	6.1
57.03430	4.2
57.07073	2.5
59.05006	37.1
63.65693	0.8
65.03947	1.0
67.05513	8.2
69.03435	46.4
69.07076	8.2
69.47549	1.2
69.47962	5.0
71.04996	5.1
71.08607	0.9
76.26019	0.9
79.05495	9.4
81.03430	2.3
81.07059	16.0
83.04995	12.9
83.08615	1.6
84.08154	2.2
85.02917	4.8
85.06547	2.4
87.04469	10.1
91.05499	8.1
93.07041	12.3
95.04977	6.3
95.08616	15.1
97.02927	2.1
97.06536	6.4
99.04461	3.9
99.82430	0.9
101.95038	1.2
103.05484	1.6
105.03381	2.1
105.07025	14.2
107.04932	1.9
107.08588	6.4
109.06537	8.8
109.10171	6.5
111.08073	4.1
113.72742	0.9
117.07047	0.8
119.01974	1.1
119.04923	5.3
119.08598	9.0
121.06518	2.0
121.10152	45.0
122.07315	1.1
123.04446	4.0
123.08071	13.5
123.11713	4.4
125.09618	2.0
127.07566	5.2
128.06247	1.1
131.08618	1.4
133.06494	3.1
133.10144	12.0
135.08069	1.6
135.11717	1.3
137.06059	2.2
137.09619	13.2
139.11189	100.0
141.07021	1.2
143.08560	7.0
145.10124	2.4
147.04408	4.0
147.08072	2.1
147.11714	8.8
149.09660	4.9
151.07501	6.0
151.11180	2.7
153.09096	1.0
155.08618	1.3
156.09367	1.7
160.08836	1.0
161.09680	1.9
161.13222	4.3
162.12860	1.6
163.11160	2.7
165.05463	1.5
165.09171	1.7
165.12807	2.4
167.06992	0.9
167.10699	15.2
169.08620	24.7
169.10085	2.0
171.11674	2.7
174.10432	2.7
175.03908	7.3
179.14330	4.2
189.12749	11.4
189.16264	1.1
192.04228	3.2
197.13322	1.2
207.06522	8.5
207.13800	23.9
225.07365	1.8
225.09271	2.0
225.12691	2.3
225.14557	16.1
225.16553	4.5
236.94560	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.0721
Annotation	Unknow
Peak:m/z	Relative Intensity
50.19873	1.7
65.99186	1.5
68.36493	1.7
71.08150	4.0
74.18223	1.6
82.99844	7.9
101.00886	67.5
119.01927	100.0
123.59160	1.8
124.02454	11.7
137.02994	10.1
140.98889	2.7
142.03505	60.8
143.01936	3.8
147.70204	1.5
158.99939	7.0
160.04572	10.4
161.02957	38.1
177.00963	21.8
179.04021	39.2
184.04527	6.9
199.50050	1.9
201.00941	4.0
202.05623	5.1
217.04008	2.7
219.01968	21.2
243.02072	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	225.1121
Annotation	Myxostiol
Peak:m/z	Relative Intensity
53.03929	0.8
55.05488	1.2
56.96548	1.3
57.03421	0.5
59.04992	0.5
65.03923	0.8
67.05482	1.3
68.99769	0.5
69.03423	0.9
69.07039	0.8
69.65829	0.4
70.06583	0.6
71.04975	1.4
71.52531	0.5
75.91778	0.4
78.39489	0.5
79.05495	3.2
81.03398	0.9
81.07043	1.5
83.04988	0.8
83.08622	1.0
85.02888	1.0
85.06527	0.5
91.05475	7.2
93.07060	2.4
95.04966	5.4
95.08594	2.0
97.06532	0.8
98.09689	0.7
98.97574	0.5
99.04459	1.4
103.05447	1.7
105.03384	2.0
105.07024	3.6
106.04195	0.5
107.04927	1.9
107.08578	2.3
108.05766	0.7
109.06536	2.6
109.10160	1.3
111.04450	0.5
115.05513	0.6
118.04179	0.9
119.01898	0.6
119.04918	2.7
119.08557	2.0
120.05722	1.4
121.06509	4.8
121.10143	1.5
122.03640	0.6
122.07269	1.0
123.04405	2.8
123.08042	2.5
123.11753	0.7
124.03942	1.1
125.05966	0.6
125.09621	1.0
131.04919	1.2
131.08525	0.7
133.02831	1.3
133.06502	2.2
133.10115	1.0
135.04361	1.6
135.08061	3.9
136.05186	1.1
136.07576	0.9
137.05980	6.8
137.09618	1.4
138.06744	2.9
139.03975	0.5
141.05447	0.8
147.04402	2.6
147.08029	0.9
147.11700	0.8
148.05193	19.2
149.05980	8.2
149.09616	1.5
150.06743	2.0
151.03897	2.4
151.07552	3.5
152.08350	0.8
154.06129	0.7
155.06995	0.7
159.18996	0.4
161.05937	1.8
161.13260	1.2
162.06772	0.5
163.07568	7.0
164.04678	0.8
164.08336	17.1
165.05473	8.1
165.09126	4.4
166.06238	2.1
167.10640	0.9
168.04243	0.9
174.03020	0.4
175.03882	1.5
176.08302	4.0
176.83727	0.4
177.05455	1.5
179.07033	3.8
180.07817	16.7
181.08597	100.0
182.08920	0.7
183.04936	0.6
183.06534	8.7
189.09113	0.5
189.12679	1.0
192.04189	1.8
192.99471	0.4
193.04817	0.9
194.09402	2.1
195.10175	73.1
207.04758	0.6
207.06544	3.7
207.10112	4.0
207.13815	2.3
225.05412	1.8
225.07509	1.6
225.09351	0.5
225.11198	13.0
225.14856	1.5
225.16748	0.5
225.19467	0.5
235.93808	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	224.1282
Annotation	Maokonine
Peak:m/z	Relative Intensity
53.03949	0.7
56.24221	0.5
56.96571	3.3
57.03436	0.7
58.06599	3.6
59.05001	1.2
60.87128	0.5
63.13518	0.5
65.03941	0.5
66.90313	0.5
67.05510	0.8
68.05038	0.9
69.03429	1.0
69.72261	2.1
69.72665	1.0
70.06602	1.6
71.04993	1.0
72.08159	9.4
76.07623	0.6
79.05495	5.4
81.03473	0.5
81.07072	1.1
82.06588	0.7
83.05040	0.7
84.08144	2.5
84.96049	0.7
85.02918	0.8
91.05483	9.6
93.07050	1.8
94.06566	0.6
95.04980	1.2
98.20758	1.1
98.97592	2.2
103.05463	11.3
105.07037	34.2
107.04961	6.3
109.02890	2.0
109.10181	0.7
110.09687	4.8
112.11282	0.6
114.05553	0.6
115.05468	0.6
117.07038	1.3
118.06547	14.4
119.01930	0.9
119.04965	1.4
119.07324	2.3
120.08109	21.3
121.06509	1.9
123.04429	0.9
128.06236	5.3
130.06544	1.7
131.04913	3.7
131.07300	3.2
131.08575	1.5
132.08092	2.1
136.07588	6.1
143.00217	0.9
143.08553	4.2
145.08873	0.6
147.04436	2.8
151.89647	0.6
153.13965	0.6
158.99632	0.9
160.11224	100.0
161.11630	0.6
163.03922	0.6
164.07117	0.9
165.05492	1.5
176.98393	0.9
177.05444	1.0
178.08762	2.3
178.12276	89.3
180.13838	0.7
182.08147	0.8
182.99669	0.7
183.01334	1.0
183.03064	0.7
192.03728	0.6
201.00705	1.9
203.07497	3.2
206.08389	0.7
206.11760	14.1
207.18576	1.7
212.08093	1.1
219.01712	0.9
224.09210	4.6
224.12822	50.7
224.16417	1.3
224.21246	1.6
224.23381	0.6
226.04471	0.7
238.25862	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.9724
Annotation	Unknow
Peak:m/z	Relative Intensity
63.73002	4.8
71.04173	10.1
71.04516	5.9
85.41077	4.6
86.90942	14.3
94.93021	20.7
192.05585	7.6
205.96202	10.3
223.97241	100.0
223.99158	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	224.0918
Annotation	Carboxysalsolinol
Peak:m/z	Relative Intensity
55.05506	1.1
56.96570	7.4
57.03447	0.9
67.05489	1.1
69.03424	1.0
69.07077	1.6
70.06583	2.4
70.64170	0.6
71.04984	2.4
71.51601	0.6
72.08142	2.0
73.02905	1.3
74.06067	0.6
76.04034	0.5
77.01596	0.6
79.05489	2.8
81.03415	1.6
84.04493	1.8
84.08136	4.0
85.02902	1.9
86.06078	0.7
86.09711	2.4
91.05468	3.4
93.07051	0.6
95.04959	1.2
97.02888	2.7
98.97589	4.3
99.04481	0.7
101.00925	0.7
103.05485	4.9
105.07036	16.5
107.04945	2.9
107.08649	0.8
109.02921	1.5
110.06059	2.0
110.97549	1.0
111.04430	1.0
113.19124	0.6
115.02216	0.7
115.03962	0.9
115.05450	1.6
116.98632	1.8
117.05737	5.5
117.07043	0.8
119.01910	1.2
119.04917	0.9
119.07330	2.9
120.08099	2.1
121.06513	2.8
123.04444	0.9
126.03703	1.0
129.10309	1.6
130.06522	4.5
130.13216	0.7
131.04901	2.1
132.08099	83.3
134.01237	0.7
134.05956	0.8
136.06186	2.0
136.07561	2.5
139.23026	0.6
140.07091	1.1
143.00188	1.1
147.04414	1.5
149.05983	0.6
150.09154	2.1
151.51688	0.8
152.07010	0.9
154.04968	1.2
157.01471	0.7
158.97235	1.2
158.99617	1.0
161.01215	0.9
163.03966	0.9
173.01357	0.8
176.98331	0.8
177.00699	1.0
178.08643	100.0
179.09024	0.7
182.99686	1.3
183.03271	0.8
192.03668	1.5
192.05527	1.5
192.08817	2.3
196.00705	0.8
201.00670	3.7
201.06027	0.8
203.07413	1.0
206.08138	0.8
206.11874	0.7
219.01785	1.8
224.04523	1.5
224.09227	11.7
224.12810	6.4
224.16461	0.6
224.23775	0.7
225.04384	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	222.1125
Annotation	N-Methylcorydaldine
Peak:m/z	Relative Intensity
55.05496	1.1
56.96571	2.9
58.06559	0.4
63.79712	0.4
65.03927	0.5
65.51160	0.4
65.84516	0.4
67.05494	0.6
70.06593	2.0
72.08153	0.5
73.59200	0.4
79.05475	0.9
80.05020	0.6
80.46017	0.4
81.03401	0.5
81.07063	0.7
85.02917	0.5
89.03900	0.5
91.05479	3.4
93.07037	1.1
97.02898	0.8
98.97585	8.1
103.05450	0.5
105.07031	1.1
107.04936	0.5
116.07084	0.8
116.98607	4.1
117.05764	0.9
117.07014	1.0
118.06540	3.3
119.04927	1.6
119.07308	1.7
119.08576	0.6
120.08112	0.6
121.06511	3.4
129.03310	0.6
130.06517	1.6
131.07332	0.8
131.08443	0.4
132.04442	0.4
132.08058	0.6
134.05949	0.6
134.09647	7.4
134.99640	1.8
137.05902	0.4
144.08078	6.5
145.08897	2.7
145.09927	0.6
146.09599	0.9
147.04416	2.8
147.10390	0.5
148.07578	0.6
148.11130	0.5
150.09140	0.7
156.97453	2.3
158.01228	0.8
158.99661	2.1
159.06332	0.6
160.11218	34.4
173.13051	0.4
174.09149	23.2
174.98517	2.3
176.07068	3.9
176.08961	1.1
177.00691	2.1
177.05463	1.0
177.07849	1.1
178.12180	0.6
188.07094	0.6
189.05492	1.8
192.10191	37.4
194.05690	0.5
198.98669	1.0
204.10170	3.6
207.06528	1.3
210.07222	0.5
216.99655	1.7
222.11252	100.0
223.11555	0.8
229.27724	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	222.0014
Annotation	Unknow
Peak:m/z	Relative Intensity
60.75782	0.5
70.48476	1.4
89.87296	0.4
101.00874	1.4
107.47961	0.5
119.01929	1.7
120.95383	1.4
122.89729	0.5
138.96419	22.1
156.97484	100.0
157.97604	1.4
174.98543	48.6
175.98521	0.6
179.99063	3.1
180.97411	2.4
180.99014	0.4
198.00250	0.7
198.98529	35.6
199.98647	0.5
216.99599	53.7
217.99805	1.0
222.00111	1.1
240.01292	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.19
Annotation	Helianthol A
Peak:m/z	Relative Intensity
53.03951	2.2
55.05515	9.7
56.56254	1.2
56.96548	2.8
57.07061	4.7
67.05511	12.1
67.65034	1.2
69.03431	1.7
69.07068	12.2
71.04996	19.8
78.04683	1.4
79.05491	19.3
81.03425	2.0
81.07059	100.0
83.04974	2.4
83.08597	2.8
85.06537	1.9
91.05482	13.8
93.07047	40.2
95.04957	3.0
95.07981	1.4
95.08606	25.1
97.02891	1.2
97.06515	5.1
97.10165	1.1
98.97566	2.3
99.08081	5.7
103.05460	2.5
104.06284	1.9
105.07031	45.9
107.04960	2.5
107.08598	43.4
109.06533	2.5
109.10156	25.7
111.08068	3.1
111.11732	1.5
113.09648	2.1
115.05468	1.2
117.07001	4.6
118.04134	1.1
119.04842	2.5
119.08585	67.4
121.06483	3.2
121.08778	1.1
121.10148	10.6
121.75175	1.0
123.04419	1.1
123.08090	1.9
123.11704	11.5
125.09586	1.7
126.05505	1.9
127.11214	12.6
128.06267	1.5
129.07005	1.1
130.04152	2.5
131.04877	2.7
131.08548	2.3
132.05710	3.7
133.02826	1.1
133.06497	2.3
133.10135	21.2
135.04413	3.5
135.08060	2.1
135.11694	74.5
137.09634	2.0
137.13225	1.7
138.05510	1.1
143.08554	3.0
144.06514	1.0
145.10107	2.6
147.04424	5.4
147.08061	2.2
147.11687	23.6
149.02339	2.5
149.05943	2.6
149.13271	11.1
159.04364	1.3
159.11703	2.3
160.05199	4.6
161.05997	3.2
161.09637	3.6
161.13251	11.4
162.06776	5.9
163.03917	8.8
163.07515	1.2
163.14806	4.4
165.06944	1.3
165.09123	1.8
165.12714	1.5
175.02606	1.7
175.03958	4.8
175.07480	2.3
175.08827	1.4
175.11174	1.3
175.14780	6.6
177.05479	2.9
177.12732	3.9
177.16344	1.8
178.06277	5.0
179.08546	3.0
180.81680	1.0
185.13219	1.5
188.04639	4.0
189.05438	2.2
190.06268	15.9
191.03416	7.7
191.06927	1.3
191.08415	1.2
193.08589	11.1
193.10146	1.8
193.15887	5.0
203.06929	2.2
203.10674	1.3
203.14395	3.9
203.17961	37.7
206.05751	13.7
206.10933	2.8
206.16219	1.7
221.04723	4.9
221.08069	36.7
221.11684	1.9
221.13258	7.3
221.15381	11.9
221.18997	37.2
243.90108	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1902
Annotation	Helianthol A
Peak:m/z	Relative Intensity
50.75468	1.2
53.03934	2.2
55.01860	1.6
55.05515	7.7
56.96569	3.8
57.07079	3.6
63.12248	1.7
67.05509	10.1
67.24258	1.2
68.98270	1.6
69.03424	1.7
69.07073	9.8
69.38076	11.2
71.04996	19.7
72.07161	1.2
72.08156	1.4
78.46069	1.4
79.05500	19.4
81.07062	100.0
83.04989	2.2
83.08627	4.6
85.06548	2.5
85.17828	1.3
91.05484	12.5
93.07051	39.7
95.04999	1.7
95.08617	24.8
97.06518	1.9
97.10133	1.7
98.97626	2.2
99.08098	4.2
105.07040	28.0
107.04953	1.4
107.07875	3.1
107.08603	54.6
109.06562	1.7
109.10161	20.7
113.09662	1.5
117.07021	2.4
119.08589	46.2
121.10120	8.2
123.11722	14.9
127.11194	8.3
131.04938	3.2
131.08597	1.8
133.06487	1.8
133.10136	21.6
135.04427	1.9
135.11699	92.9
137.05898	1.5
137.13272	1.8
145.10141	3.3
147.04440	2.8
147.11682	20.8
149.02362	1.7
149.05969	1.9
149.13242	7.6
151.11203	2.2
160.05185	1.6
161.06010	5.0
161.09671	2.0
161.13254	10.9
162.06801	1.8
163.03847	2.2
163.14822	2.0
165.01903	3.0
165.12730	1.5
175.03949	2.7
175.07506	1.8
175.11269	1.4
175.14828	4.3
177.05609	1.7
190.06284	5.2
191.03499	2.2
193.08658	4.1
203.03426	2.6
203.07133	1.6
203.14426	2.7
203.17982	34.4
206.05739	3.4
221.04512	3.7
221.08084	15.2
221.11661	1.9
221.15584	7.9
221.19046	38.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1901
Annotation	Helianthol A
Peak:m/z	Relative Intensity
53.03942	2.7
55.05506	8.8
56.96556	4.0
57.07063	3.6
59.04987	1.5
65.03913	1.7
67.05502	10.5
69.03409	1.6
69.07067	10.6
69.16619	8.9
69.17047	4.4
71.04992	14.3
72.08147	3.3
79.05497	19.3
81.07059	69.0
83.04980	2.1
83.08607	4.5
91.05490	11.9
92.53141	1.2
93.06490	2.1
93.07043	36.2
95.04967	3.9
95.08060	2.0
95.08616	26.5
97.06525	2.5
97.10176	2.9
98.97575	2.6
99.08102	5.9
103.05468	1.3
104.06219	1.3
105.07034	24.1
107.08594	60.3
109.06518	2.0
109.10159	21.3
111.08086	7.6
113.09642	1.5
117.06960	1.6
119.04912	2.3
119.08582	42.7
121.06509	2.4
121.10146	8.9
123.08038	5.0
123.11701	18.6
125.09584	1.4
127.11185	7.3
131.04919	2.8
132.05649	1.4
133.06503	1.5
133.10139	27.4
135.04401	1.7
135.11693	100.0
137.09615	3.0
137.13226	1.5
145.10161	1.7
147.04417	4.0
147.11688	24.2
149.02394	2.1
149.13229	5.7
151.11211	2.2
159.11636	1.3
161.05920	3.2
161.09644	1.5
161.13268	13.6
162.06725	2.3
163.03874	3.6
163.14832	6.7
165.12769	1.9
175.02672	2.7
175.07559	1.8
175.11206	1.9
175.14810	3.3
176.14330	3.8
177.05519	1.6
177.09218	1.4
177.16345	1.9
178.06247	2.5
190.06261	6.2
191.03456	2.7
193.03842	1.9
193.08643	4.7
193.15805	1.4
203.06961	1.7
203.14413	1.9
203.17941	37.5
206.05739	4.3
221.04514	3.0
221.08095	16.2
221.11620	2.1
221.13547	1.6
221.15401	5.1
221.18993	37.3
221.21579	2.1
221.21980	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	221.1902
Annotation	Helianthol A
Peak:m/z	Relative Intensity
53.03944	4.3
55.05511	14.8
56.96564	3.6
57.03434	2.5
57.07061	4.8
59.04999	1.4
65.03927	2.7
67.05505	13.9
69.03419	2.2
69.07072	12.7
70.41807	1.1
71.04996	16.9
71.52914	1.6
73.06530	1.4
73.63525	1.1
79.05492	18.0
81.07059	80.4
83.04962	3.6
83.08619	5.8
83.32758	1.3
85.06503	2.9
91.05483	16.5
93.07047	38.2
93.07636	2.0
95.04953	3.6
95.08611	31.5
97.02894	1.6
97.06519	3.8
97.10154	2.3
98.97574	2.2
99.08090	4.0
102.04662	1.5
103.05479	2.1
104.06251	1.3
105.03357	1.3
105.07033	36.9
107.04943	3.0
107.08600	63.2
109.02856	1.9
109.06495	2.9
109.10165	25.8
111.08066	3.2
111.11718	1.2
113.09612	2.4
115.05415	2.0
117.07011	2.5
119.04952	2.7
119.08588	55.1
121.02843	1.9
121.06532	2.5
121.10143	11.6
123.04428	2.2
123.08074	2.3
123.11719	16.1
125.09624	1.8
127.11206	9.3
129.06952	1.4
130.04164	1.1
131.04912	2.9
131.08611	2.0
132.05719	3.9
133.02863	1.3
133.06502	2.9
133.10138	27.2
135.04384	2.2
135.08055	1.7
135.11696	100.0
137.06032	2.3
137.09608	4.6
137.13254	2.6
143.08569	2.8
145.10120	4.2
147.04422	6.1
147.10535	1.2
147.11693	25.1
149.02335	22.0
149.05966	4.7
149.13269	6.6
151.03928	12.5
151.11174	1.9
157.10124	1.4
158.05885	1.1
159.11697	4.8
160.05176	3.1
160.12505	1.2
161.05975	5.7
161.13260	16.4
162.06837	5.3
163.03850	6.8
163.14815	4.3
165.12700	2.6
175.02670	2.0
175.04015	2.6
175.07564	1.3
175.11244	1.6
175.14853	5.9
177.05560	2.1
177.16487	1.6
178.06218	4.1
179.10591	1.3
185.13280	2.6
188.04742	2.0
189.05396	1.4
189.09126	2.1
190.06270	8.4
191.03387	3.8
191.10675	3.2
193.03812	1.7
193.08630	7.9
200.08725	1.8
202.75435	1.1
203.10643	3.4
203.14264	3.5
203.17967	36.4
206.05730	7.8
220.54108	1.3
221.04471	4.3
221.08115	26.0
221.11765	9.1
221.15430	13.3
221.19014	34.8
221.22011	5.9
223.93436	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1901
Annotation	Helianthol A
Peak:m/z	Relative Intensity
52.00560	1.0
53.03938	2.2
55.01852	1.7
55.05516	15.0
56.96569	2.3
57.03428	2.8
57.07076	6.8
59.04999	1.0
67.05505	15.3
69.03436	5.2
69.07070	17.0
69.29398	6.1
69.29823	4.2
71.05000	3.0
77.03915	1.2
79.05489	10.5
81.03419	1.2
81.07059	30.3
82.40492	1.2
83.04961	3.2
83.08620	6.1
85.06551	1.9
91.05484	13.4
93.07050	28.8
93.46850	1.1
95.04958	3.5
95.08608	40.7
97.06535	17.5
97.10165	3.1
99.08109	1.4
101.00918	1.0
103.05470	1.3
105.07034	43.4
107.04947	2.0
107.08599	33.5
109.06509	4.1
109.10160	41.8
111.08089	52.0
111.11671	1.3
113.09671	1.1
115.05540	1.3
116.98653	1.1
117.07027	3.1
119.01904	2.5
119.04913	2.1
119.08585	31.7
121.02849	1.6
121.06480	1.4
121.10149	22.5
123.08075	18.4
123.11718	21.9
124.07596	1.2
125.09631	2.1
131.04895	3.3
131.08575	2.7
132.05708	2.2
133.06512	2.2
133.10129	32.5
135.04436	2.7
135.11699	15.6
137.09633	15.0
137.13245	4.5
143.01910	4.6
145.10088	6.0
147.04398	6.4
147.08031	1.4
147.10512	2.1
147.11690	41.9
149.02339	18.8
149.05983	2.9
149.13263	18.7
151.11162	2.6
159.11688	2.4
160.05208	2.5
160.12453	1.6
161.02957	4.8
161.05974	4.6
161.09590	1.7
161.13274	18.6
162.06760	4.4
163.03947	5.4
163.11212	1.8
163.14824	5.1
165.09042	1.7
165.12772	6.1
175.03970	1.9
175.07506	2.1
175.11122	1.3
175.14830	7.3
176.04688	1.9
177.05463	2.6
177.09160	1.5
177.16373	2.6
178.06253	3.7
179.03470	1.4
185.13225	1.2
187.00873	1.9
188.04739	2.1
188.15579	1.2
189.05492	1.9
189.09161	1.9
190.06233	10.1
191.03381	3.3
191.10744	1.5
193.08585	7.7
193.15915	1.4
203.03693	2.0
203.07004	1.4
203.17966	71.6
206.05772	7.7
221.04613	2.0
221.08110	27.9
221.11685	2.9
221.15398	5.7
221.19017	100.0
221.22270	3.1
232.36662	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.19
Annotation	Helianthol A
Peak:m/z	Relative Intensity
51.77899	0.3
53.03979	0.6
54.82145	0.3
55.01908	0.4
55.05508	2.8
56.96600	1.2
57.03457	1.1
57.07105	1.5
65.03941	0.3
67.05512	3.6
69.03462	0.6
69.07064	4.3
69.75815	1.9
71.05003	2.1
78.04756	0.4
79.05497	3.8
81.07058	13.7
83.04987	0.8
83.08627	1.9
85.06577	0.6
91.05473	5.0
93.07046	7.3
93.07619	0.4
95.05018	1.0
95.08611	10.3
97.06519	2.0
97.10172	0.6
98.97591	0.8
99.08105	0.9
102.04717	0.6
103.05521	0.7
105.03387	0.4
105.07030	11.5
107.05002	1.0
107.08597	12.0
107.09293	0.7
109.06577	1.1
109.10159	11.0
111.08085	7.0
113.09715	0.5
115.05477	1.4
116.06283	0.7
117.07029	5.4
118.06602	0.5
119.04961	1.3
119.06895	0.5
119.08583	13.0
121.06537	1.4
121.10140	5.5
123.08052	2.8
123.11707	6.8
125.09687	0.6
127.11201	0.4
128.06259	1.1
129.06966	0.6
129.57451	0.4
130.04175	0.4
131.04962	1.2
131.08591	0.8
132.05765	1.5
133.06523	0.7
133.10130	9.3
134.07317	1.0
135.04428	1.3
135.08125	0.9
135.11688	12.1
137.06003	0.4
137.09622	1.9
137.13275	1.4
143.08598	1.6
144.05730	0.7
145.02904	0.4
145.06482	0.6
145.10118	1.2
147.04422	3.2
147.08080	0.7
147.11688	12.4
149.06012	1.4
149.13258	4.7
151.03828	0.5
151.11203	1.0
151.14862	0.4
158.06073	0.5
159.11676	0.8
160.05228	1.4
160.12514	0.6
161.05981	2.1
161.09589	0.6
161.13275	5.0
162.06749	6.7
163.03886	3.1
163.07440	0.5
163.09497	0.5
163.14845	1.0
165.12793	0.8
171.08040	0.6
174.03181	0.4
175.03973	1.9
175.07523	3.1
175.11136	0.6
175.14833	1.5
176.04732	0.6
176.14279	0.5
177.09108	100.0
177.14696	3.5
177.16359	0.9
178.06262	2.1
178.09413	0.8
185.13217	0.4
188.04695	0.8
189.05367	0.8
189.09125	0.8
190.06270	5.7
191.03400	2.3
191.06973	0.5
191.10750	0.9
193.08627	4.0
203.10634	1.0
203.14288	0.8
203.17950	19.7
206.05702	3.3
221.04385	0.9
221.05965	0.7
221.08043	12.8
221.11591	0.9
221.15404	1.0
221.17200	11.8
221.19002	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	221.1902
Annotation	Helianthol A
Peak:m/z	Relative Intensity
55.01875	0.8
55.05507	5.4
56.96567	3.1
57.07076	4.6
65.03927	1.0
67.05511	9.7
69.02087	0.6
69.03424	5.0
69.06726	0.8
69.07075	8.8
69.31382	4.5
69.31788	1.1
71.04990	0.9
71.08642	0.7
72.08144	1.8
73.02917	0.8
78.05017	0.7
79.05499	7.9
81.03433	1.1
81.07062	45.1
83.04986	3.4
83.08623	2.3
85.02904	0.9
85.06528	0.9
91.05482	7.3
93.07056	8.8
95.04974	2.5
95.08612	24.0
97.02847	0.8
97.06523	1.4
97.10172	1.1
98.97589	2.3
99.08101	3.7
105.03444	0.9
105.07032	16.1
106.95799	0.6
107.04976	1.6
107.08598	12.1
109.06521	2.9
109.09468	1.3
109.10165	17.7
110.97546	1.0
111.08109	3.9
116.98613	1.4
117.07031	1.6
117.71553	0.8
119.08592	19.4
121.02900	1.3
121.06460	1.3
121.10146	12.0
123.08079	2.0
123.11712	100.0
125.09614	1.0
131.04941	1.0
131.08537	1.1
133.02814	0.6
133.06514	1.1
133.10144	12.4
135.08028	0.7
135.11694	2.8
137.05966	1.9
137.09616	5.3
137.13252	2.1
143.01888	1.3
145.06407	0.9
145.10153	2.1
147.04399	2.8
147.08032	1.4
147.11696	20.2
149.02338	3.1
149.05952	0.9
149.13275	1.3
151.07536	1.2
151.11198	4.7
157.10139	0.9
158.06082	0.7
159.11682	1.5
160.05078	0.7
160.12439	0.9
161.06021	2.4
161.09644	1.8
161.13272	8.7
162.06787	1.0
163.03941	1.4
163.11206	2.1
163.14873	2.7
175.03920	1.2
175.07484	1.6
175.11122	1.0
175.14848	2.8
176.48798	0.7
178.06303	1.0
179.00117	0.9
179.03386	1.1
182.99498	0.7
185.13309	0.9
189.05495	0.8
190.06277	2.1
191.03456	1.0
193.08633	2.4
193.15880	1.0
203.07129	2.0
203.10847	0.8
203.14435	2.0
203.17964	45.3
209.01208	0.8
221.04482	2.8
221.07980	6.7
221.09825	1.0
221.11694	1.8
221.15427	6.9
221.18979	10.3
227.02306	1.0
228.02580	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1902
Annotation	Helianthol A
Peak:m/z	Relative Intensity
50.94400	1.7
53.03943	2.0
55.01863	2.3
55.05516	15.6
55.31964	1.4
56.96552	7.0
57.03430	1.5
57.07071	8.4
66.04720	1.5
67.05509	19.5
69.03421	2.2
69.07072	21.0
69.35699	1.8
69.36088	10.6
71.05002	21.0
72.08164	2.4
78.04709	3.0
79.05069	2.5
79.05493	28.5
81.03435	2.5
81.07059	97.6
83.04979	4.5
83.08602	6.5
85.06546	3.7
90.08846	1.4
91.05478	19.0
93.07050	52.9
95.04958	6.1
95.08607	38.3
97.02861	2.6
97.06527	6.7
97.10159	2.7
98.97569	3.4
99.08082	4.3
102.04679	4.5
103.05444	5.4
105.03391	2.0
105.07040	43.6
107.04946	6.5
107.08601	66.7
109.02811	2.0
109.06513	4.6
109.10165	40.8
111.04427	1.9
111.08060	6.1
111.11635	1.7
113.09595	1.9
115.05460	2.3
116.98616	3.2
117.07024	5.8
118.04172	2.4
119.04958	7.9
119.08586	62.6
121.06496	6.5
121.10156	15.7
123.04461	1.4
123.08060	3.1
123.11735	19.3
125.09665	3.8
127.11186	9.6
130.04140	5.1
131.04919	8.2
131.08537	4.0
132.05734	9.3
133.02864	2.2
133.06500	3.7
133.10147	32.6
135.04451	9.5
135.08069	2.0
135.11699	100.0
137.02399	1.6
137.05975	3.7
137.09595	5.6
137.13220	1.8
145.10112	4.9
147.04414	19.3
147.08092	4.1
147.11690	32.7
149.02322	4.0
149.05988	6.8
149.13239	9.7
151.03911	6.0
151.11218	3.5
157.01689	1.7
157.10213	1.9
159.00922	1.8
159.04546	2.1
159.11674	2.4
160.05173	10.1
161.06001	11.5
161.09636	3.7
161.13289	16.1
162.06795	13.7
163.03922	24.4
163.07523	3.6
163.11166	2.7
163.14827	8.0
165.01834	5.7
165.08983	1.7
165.12726	2.9
175.04028	8.5
175.07553	3.7
175.11279	3.0
175.13487	1.6
175.14772	8.4
176.04700	4.0
177.05437	6.3
177.12863	1.7
177.16382	5.5
178.06264	15.1
178.07697	2.2
179.03436	2.6
185.13242	2.7
188.04697	10.3
189.05418	3.4
190.06256	38.4
191.03397	16.1
191.06984	3.1
191.10721	3.0
193.08603	28.5
193.10304	2.3
193.15851	1.6
203.10719	2.7
203.14389	3.9
203.17970	51.1
206.05742	30.4
213.27954	1.5
221.04501	7.3
221.08096	96.1
221.11668	4.9
221.15501	13.3
221.19041	53.2
241.00336	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1902
Annotation	Helianthol A
Peak:m/z	Relative Intensity
51.91068	1.6
53.03939	3.5
55.05312	1.3
55.05514	15.8
56.96550	5.1
57.03434	2.5
57.07070	4.2
59.05002	1.7
67.05233	1.4
67.05512	16.4
69.03444	2.4
69.07070	16.0
70.28325	1.3
70.71152	1.4
70.71487	3.1
71.05000	21.0
72.07398	1.3
73.06540	3.3
75.87258	1.5
77.87611	1.4
79.05493	19.4
81.07059	81.0
83.04961	4.3
83.08614	6.5
85.06530	3.8
91.05476	16.5
93.07048	41.5
95.04963	5.2
95.08613	44.5
97.02958	1.5
97.06521	7.3
97.10172	4.0
98.97591	2.6
99.08072	6.2
103.05472	3.0
105.07036	42.8
107.04948	3.0
107.08602	65.1
109.06503	4.2
109.09473	2.3
109.10163	33.7
111.08114	9.3
111.11710	2.2
113.09658	2.3
115.05394	1.4
117.07026	2.7
118.06578	2.6
119.04960	3.5
119.08580	54.5
121.06551	2.0
121.10149	17.7
123.08046	6.3
123.11721	19.8
125.09615	1.9
127.11197	7.5
129.07021	1.6
131.04932	4.2
131.08600	2.8
132.05719	1.7
133.06467	3.0
133.10139	28.9
135.04492	2.4
135.11699	100.0
137.05984	1.7
137.09625	4.7
137.13254	4.5
139.11186	1.6
143.08604	3.2
145.06529	1.6
145.10109	4.4
147.04393	7.1
147.11700	28.0
149.02361	9.6
149.05974	6.3
149.09633	2.1
149.13252	13.8
151.11140	4.3
159.11766	2.4
160.05194	4.8
161.02310	1.8
161.05981	7.9
161.09630	3.1
161.13257	18.7
162.06795	4.2
163.03911	6.2
163.14819	4.9
165.09105	2.1
175.03996	3.3
175.07532	6.2
175.11197	2.9
175.14830	5.7
177.05463	2.5
177.09161	10.2
177.14671	6.8
177.16202	2.4
178.06239	3.1
179.03391	2.5
180.08041	1.8
188.04633	1.9
189.05588	2.0
189.09077	3.8
190.06258	8.5
191.03395	3.6
191.10823	6.8
191.12454	1.8
193.06972	1.6
193.08630	5.0
193.19530	1.6
200.59271	2.7
203.06985	2.2
203.10678	4.9
203.14267	2.7
203.17970	48.3
206.05814	4.6
206.16277	2.2
221.04433	10.3
221.08043	20.5
221.11603	3.3
221.15390	6.1
221.17258	37.6
221.19032	50.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.0921
Annotation	7-HYDROXY-DL-TRYPTOPHAN
Peak:m/z	Relative Intensity
64.44217	0.4
69.22754	3.6
70.12301	0.4
82.02948	1.5
94.06572	3.4
109.10171	0.5
119.33217	0.4
120.08080	0.5
130.06529	39.0
130.96028	0.4
132.04457	27.2
147.09187	0.6
148.07544	1.0
152.17747	0.4
157.07613	19.9
158.06015	60.8
175.08672	100.0
176.07054	1.8
176.08940	0.6
186.05482	1.7
193.15979	0.6
203.08177	1.3
204.06528	4.2
221.09219	30.9
240.36769	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.0922
Annotation	7-HYDROXY-DL-TRYPTOPHAN
Peak:m/z	Relative Intensity
56.96560	2.7
71.52104	1.2
72.08152	0.8
73.02922	1.6
74.02438	1.0
82.02927	1.3
84.08141	0.8
85.02897	1.5
94.06560	5.3
98.97566	3.5
101.00900	1.1
110.97555	1.0
115.05499	0.7
116.98655	1.1
119.01892	1.1
130.06528	82.8
131.06894	0.8
132.04453	44.0
148.07578	2.9
156.06839	1.0
157.07616	58.8
158.06012	87.7
158.99693	0.9
159.09111	1.6
159.12079	0.9
160.07518	0.7
160.09631	0.7
161.02824	1.0
162.05415	0.8
175.08672	100.0
176.07088	1.8
179.03998	1.1
185.07103	1.4
186.05489	3.1
191.03905	1.8
203.08147	40.3
204.06563	5.2
221.04648	0.9
221.09229	18.6
221.12608	1.1
221.15100	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.0809
Annotation	Polygonolide
Peak:m/z	Relative Intensity
53.03930	0.5
55.05502	1.2
56.96570	6.0
57.07054	0.9
65.03944	0.5
67.05493	2.0
69.03412	0.6
69.07059	1.3
71.16797	1.2
78.04710	1.7
79.05498	4.8
81.07072	4.6
83.04975	2.0
88.74377	0.5
89.03909	1.0
90.01482	0.5
90.04685	0.6
91.05481	6.4
93.07064	3.3
95.04956	1.2
95.08614	4.3
97.02888	0.6
97.99177	1.3
98.97583	1.3
102.04696	3.7
103.05475	3.1
104.06247	4.2
105.03430	1.0
105.07037	4.9
107.04954	5.2
107.08601	2.7
109.06517	1.2
109.10134	2.9
111.04398	0.9
111.08071	0.6
111.85592	0.5
115.05437	0.6
116.00193	0.8
116.98612	0.9
117.03374	0.9
117.07001	1.4
118.04163	1.5
119.04949	7.0
119.08582	4.2
121.06499	3.4
121.10165	1.4
123.04516	0.8
123.08058	0.9
123.11703	0.9
125.04955	0.6
129.07040	0.8
130.04156	5.9
131.04929	8.1
131.08548	0.9
132.05705	8.9
133.02850	2.0
133.06464	2.3
133.10127	2.8
134.03593	0.6
135.04408	8.2
135.08003	0.6
135.11751	0.6
137.09604	1.3
143.08549	1.1
144.05627	0.6
145.02843	1.5
145.10126	0.9
146.03590	0.6
147.03239	0.9
147.04416	18.4
147.08063	0.6
147.11690	2.3
148.05182	2.4
149.05977	4.2
149.13290	0.7
150.06721	1.4
157.10121	0.7
158.03590	0.9
159.04462	2.9
159.11714	1.1
160.05206	8.6
161.02318	1.4
161.06000	5.8
161.09602	1.1
161.13298	1.7
162.06767	15.9
163.03902	23.9
163.07523	2.6
163.11124	0.7
165.09132	1.5
171.09351	0.6
173.02411	1.1
174.03120	1.9
175.02589	0.6
175.03937	10.4
175.07516	0.5
175.11226	0.8
175.14827	2.0
176.04729	4.1
177.05493	6.8
178.06247	15.4
179.10620	0.7
180.09845	1.2
185.13237	0.8
187.03938	1.2
188.04691	10.3
189.05487	4.7
189.10378	0.8
190.06255	41.9
191.03413	19.2
191.07010	3.7
192.04042	0.9
193.08620	28.2
200.61162	1.2
203.07059	1.1
203.14311	1.1
203.17967	1.9
205.04962	0.9
206.05748	31.0
212.75391	0.6
221.08099	100.0
221.15164	3.1
221.18962	1.8
222.08484	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.0425
Annotation	Unknow
Peak:m/z	Relative Intensity
70.09509	13.7
70.90228	12.7
71.04531	27.8
92.10507	11.7
94.06580	100.0
95.06911	27.5
104.10725	98.6
105.21040	17.6
221.04323	79.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.0808
Annotation	Polygonolide
Peak:m/z	Relative Intensity
50.01573	0.4
51.03663	0.3
53.03933	1.0
53.95646	0.4
55.05494	1.2
56.96557	1.9
57.07066	1.1
57.61363	0.4
59.57244	0.4
60.05082	0.3
67.05489	1.8
68.99790	0.6
69.07052	1.8
71.04979	0.6
77.03883	0.8
78.04716	2.1
79.05491	4.6
81.03442	0.8
81.07061	4.4
81.99683	0.4
83.04950	1.9
83.08611	0.7
90.04691	1.0
91.05490	6.7
92.02612	0.5
93.07046	4.7
95.04955	1.4
95.08601	3.2
97.06543	0.6
98.97567	1.7
102.04680	5.0
103.05473	2.9
104.06252	3.4
105.03387	1.6
105.07037	5.9
106.04179	0.4
107.04953	5.4
107.08604	3.3
109.06510	1.3
109.10137	1.9
111.08076	0.6
115.05444	1.2
116.06167	0.7
116.98591	0.9
117.07012	1.2
118.04192	2.1
119.04941	7.8
119.08567	4.1
120.05675	0.9
121.06503	2.3
121.10122	2.3
122.10487	1.6
123.04346	0.5
123.08052	0.9
123.10889	0.6
123.11700	1.0
125.09685	0.4
126.63200	0.5
129.06985	0.7
130.01021	0.5
130.04149	5.4
131.04930	8.2
131.08540	0.6
132.02051	1.0
132.05713	9.9
133.02844	1.9
133.06488	3.4
133.10152	2.8
135.04407	9.6
135.08064	1.1
135.11720	1.0
137.05952	1.0
137.09615	1.2
143.08521	0.7
145.02892	2.0
145.06461	0.6
145.10083	0.5
146.03639	1.3
147.03229	1.0
147.04404	20.1
147.08118	0.6
147.11687	2.7
148.05275	2.5
149.02301	1.0
149.05974	4.6
150.06755	1.3
151.03902	3.2
151.07518	0.5
151.11186	0.6
153.05530	0.5
157.10168	0.7
158.03595	0.8
159.04437	2.8
159.11624	0.8
160.05199	9.7
161.02339	1.5
161.05981	5.5
161.09633	1.2
161.13304	3.0
162.06764	15.6
163.03905	26.3
163.07526	3.6
163.14789	0.5
165.09111	1.5
167.06972	0.6
173.02408	1.0
174.03079	2.0
175.02538	0.9
175.03912	11.5
175.05315	0.9
175.07486	0.7
175.14810	2.5
176.04688	3.3
177.05481	6.4
177.09137	0.4
178.04797	0.9
178.06265	14.8
178.07822	0.8
183.58209	0.4
185.13261	1.5
187.03914	0.9
188.04694	11.1
189.01801	0.5
189.05486	3.5
190.06245	43.4
191.03406	16.2
191.06975	3.3
192.04198	1.1
193.08600	28.8
193.15880	0.8
198.46783	0.4
203.10533	0.4
203.14293	1.5
203.17950	2.0
205.05014	0.8
206.05737	30.1
206.16206	0.7
221.08086	100.0
221.11664	3.1
221.15196	4.7
221.18904	1.6
222.08482	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	220.1697
Annotation	Fabianine
Peak:m/z	Relative Intensity
55.05510	0.2
56.96574	0.1
62.94398	0.2
69.37171	1.1
74.26793	0.1
81.07050	0.2
88.11536	0.2
91.05486	0.2
97.02786	0.2
105.07027	0.2
106.06532	0.1
115.17914	0.1
118.06541	7.9
119.07365	0.3
119.08521	0.2
120.08099	0.2
121.06515	0.5
132.08086	2.0
133.08852	0.9
133.09785	0.2
134.09645	0.6
146.09618	2.1
147.10449	0.3
148.11160	0.3
151.03931	0.3
152.04243	0.4
160.11223	0.4
162.09146	4.8
176.10754	3.4
176.14348	23.4
177.11487	1.3
189.15085	0.3
190.12273	2.0
202.15825	1.0
205.15848	0.3
220.16960	100.0
221.17352	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	220.1444
Annotation	Unknow
Peak:m/z	Relative Intensity
52.72495	0.5
53.03928	0.5
54.03469	0.7
68.05033	4.8
69.04530	1.5
69.07044	0.6
69.90531	0.5
70.72769	1.2
80.05028	4.2
81.04541	69.4
87.04469	1.4
91.05515	0.9
93.05761	3.1
94.06570	0.9
95.06094	16.4
96.08134	16.9
99.05565	0.8
105.03387	0.9
107.06078	15.0
108.08118	49.0
109.07664	1.1
109.08356	0.6
110.09680	1.6
122.09668	4.0
125.07119	20.6
125.08056	1.0
134.09657	4.4
136.06149	1.1
138.09167	1.4
146.09639	4.6
158.09624	1.0
172.08604	1.1
176.10710	0.9
189.35909	0.6
190.13364	0.8
202.13409	18.8
205.15930	1.1
220.14465	100.0
221.14827	1.4
234.08411	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	220.1334
Annotation	Darlingine
Peak:m/z	Relative Intensity
55.05539	0.6
56.96583	0.6
68.05060	1.6
69.03448	0.8
69.07093	0.5
70.06577	0.7
72.08176	0.5
77.66634	0.4
79.05504	0.8
80.05039	1.6
80.20172	0.5
81.04546	24.4
81.07072	1.5
82.13860	0.4
84.04520	0.5
86.09727	1.7
87.04472	65.9
91.05473	0.4
93.05790	1.3
94.06570	0.5
95.06098	4.5
96.08138	4.2
98.97572	0.7
105.03393	2.0
107.06083	5.5
107.08576	0.4
108.08123	17.2
110.09700	0.7
112.01093	0.4
117.07013	1.7
118.06543	5.1
119.07328	7.5
120.08121	0.8
121.06452	0.7
122.09663	1.3
125.07124	7.3
131.96698	0.7
132.08087	0.6
134.09657	100.0
136.06177	3.4
136.68953	0.6
137.05945	0.5
138.09117	0.8
146.06007	0.5
146.09579	1.4
148.04285	1.1
163.03841	1.2
164.10590	0.8
167.10582	0.5
174.11209	1.1
177.12674	0.6
186.57484	0.5
202.08681	0.7
202.13409	6.0
202.17892	1.2
204.14560	1.3
205.15913	3.9
212.54285	0.5
220.13129	80.5
220.17644	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	220.1182
Annotation	D-pantothenic acid
Peak:m/z	Relative Intensity
52.22129	0.6
55.01868	1.4
55.05513	2.8
56.05046	0.7
56.55748	0.6
56.96577	3.6
57.03438	2.1
57.07081	7.8
58.57792	0.6
59.05000	5.4
59.97872	0.5
60.95855	0.8
61.02945	1.3
67.05511	5.5
69.03434	3.0
69.07067	6.7
70.02969	7.1
70.06586	2.6
71.00704	1.3
71.01362	1.1
72.04522	14.6
72.08161	11.3
73.02921	4.0
74.02441	1.6
74.06085	0.7
75.04483	1.5
79.05498	0.8
81.03419	1.1
81.07066	4.8
83.04954	1.9
84.04524	0.7
84.08129	2.0
85.02913	2.0
85.06550	11.3
86.06064	7.2
86.09706	2.8
87.04477	17.9
87.08112	1.9
88.04009	0.7
90.05562	100.0
91.05476	1.2
95.04981	7.4
96.08130	1.6
97.02904	1.3
98.02422	15.2
98.06066	26.4
98.09693	5.1
98.97603	3.0
100.03969	2.6
101.00760	0.6
102.96838	0.7
103.03898	0.7
103.07588	7.8
104.04282	1.3
110.97499	0.8
113.06026	3.4
116.03461	13.8
116.98639	1.1
121.06510	1.9
124.07600	16.8
127.47318	0.6
130.08574	0.7
131.96713	1.5
135.04393	0.9
136.06206	3.5
140.10709	18.3
142.08644	7.3
144.10197	8.9
146.06027	1.0
156.10226	2.0
158.11780	89.6
159.02933	1.1
160.03255	3.3
160.04533	0.7
160.09715	2.0
163.03909	3.9
164.10687	0.8
166.08658	2.4
174.11261	2.9
175.08672	1.3
180.87259	0.7
184.09703	20.3
192.02934	4.8
196.54654	0.7
202.10759	33.9
202.14391	10.1
204.14601	2.8
205.15880	6.4
220.02536	3.9
220.09821	2.9
220.11816	47.6
220.15413	14.8
220.17810	8.2
240.27498	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	220.0455
Annotation	Unknow
Peak:m/z	Relative Intensity
54.46707	0.3
55.72905	0.3
56.08604	0.2
57.03432	0.4
57.50110	0.2
59.41891	0.3
61.02929	0.7
65.60381	0.3
66.63354	0.2
69.03428	0.6
69.31473	1.2
69.31898	0.8
69.53483	0.2
71.01286	0.2
73.02957	0.5
74.06084	0.2
80.81035	0.2
82.01439	0.3
85.02920	1.3
90.05559	0.5
94.06571	100.0
95.06873	0.4
97.02916	0.6
100.02487	0.4
101.00900	0.8
108.83689	0.2
119.01931	0.7
120.02042	0.4
127.23064	0.2
130.02672	0.3
130.03621	0.3
131.01921	0.5
132.06570	0.6
133.03423	0.4
134.04512	6.5
143.01909	0.3
144.03479	0.3
148.04770	0.5
149.03224	1.2
152.05617	1.5
157.03488	0.3
167.04271	0.4
169.05362	0.3
174.05974	0.2
176.05594	4.0
178.03508	5.2
180.62523	0.2
182.34181	0.2
190.05829	1.0
193.02176	1.8
194.06650	4.4
196.04553	6.4
196.06299	0.4
197.04837	0.3
199.06293	0.3
202.10753	0.3
211.03212	1.6
217.08267	0.3
220.04562	31.9
220.17685	0.3
221.04721	0.5
235.06720	0.4
238.05621	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	219.1745
Annotation	Dihydromylione A
Peak:m/z	Relative Intensity
55.01865	0.9
55.05514	6.3
56.96558	1.9
57.03419	1.0
57.07066	2.3
59.04984	1.2
67.05511	7.7
69.03416	1.9
69.07072	27.7
69.70066	4.5
70.15206	0.7
71.05001	6.7
71.88847	0.8
79.05508	5.2
81.07059	15.4
83.05003	1.7
83.08614	3.3
85.06535	2.9
91.05492	4.7
93.07051	13.6
95.04949	3.0
95.08611	25.0
97.06513	2.2
97.10178	1.7
105.07035	18.2
107.08604	19.8
109.06516	3.4
109.10167	22.0
111.08085	2.1
117.07034	3.6
119.08592	18.3
121.06506	2.1
121.10154	17.1
123.08053	1.9
123.11726	7.2
124.97070	0.7
125.09614	2.4
131.08556	5.0
133.10153	8.7
135.08058	4.0
135.11699	13.8
136.92174	1.2
137.09612	11.6
137.13197	2.8
145.10133	20.1
147.08130	0.8
147.11678	4.2
149.09631	8.4
149.13280	4.8
151.11177	1.6
152.16679	0.7
154.93219	1.7
154.94383	0.7
157.10101	0.9
159.11714	9.9
161.13263	10.4
163.11215	15.9
172.94289	2.5
173.13275	3.4
175.14851	7.3
177.12761	3.2
177.16382	1.5
190.95367	1.5
191.17955	9.2
195.95990	1.1
201.16406	15.9
203.14288	1.7
213.97177	0.7
219.17448	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.1744
Annotation	(+-)-(E)-Nuciferol
Peak:m/z	Relative Intensity
53.03938	2.2
55.05516	6.5
56.96572	2.0
57.03421	0.8
57.07065	1.5
65.03926	1.1
67.05501	5.4
68.99796	0.9
69.03411	0.9
69.07074	5.2
69.32283	6.8
71.04995	12.2
72.08132	0.8
79.05499	13.6
81.07056	23.2
83.04980	3.8
85.06518	1.0
91.05481	24.8
93.07046	17.3
95.04942	2.0
95.08157	0.8
95.08618	8.3
97.02847	0.9
97.06516	3.1
97.10117	1.3
98.97565	1.7
99.08083	0.9
103.05466	2.0
105.07034	65.5
107.04916	0.8
107.08589	12.8
109.10143	6.7
115.05434	1.4
117.07032	5.9
118.06509	1.3
118.07770	1.0
119.08578	12.4
121.06511	3.0
121.10139	12.0
123.08059	1.8
123.11704	2.3
123.36107	0.7
125.09626	16.7
129.06978	1.6
130.07782	1.8
131.08578	14.5
133.10132	100.0
134.10408	1.2
135.04436	1.0
135.08058	1.3
135.11684	3.5
139.11206	1.2
139.78374	1.0
141.06969	1.1
143.08566	1.9
144.09402	0.8
145.10130	13.0
147.11679	10.2
149.06017	1.4
149.09579	1.7
149.13237	1.5
151.03915	12.2
157.10110	1.1
158.10886	1.3
159.11691	14.1
159.12907	1.6
161.09644	1.3
161.13239	9.3
163.11180	2.8
172.94228	1.7
173.13243	3.2
174.06763	1.4
175.07520	1.8
175.14835	2.2
176.14366	4.0
177.05563	1.2
177.09132	0.8
177.12735	0.9
189.09116	1.8
191.14389	0.9
191.17940	1.1
195.95857	0.9
201.09097	1.1
201.16393	11.9
203.14336	3.5
219.10124	7.1
219.13953	1.9
219.17438	36.5
220.16972	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	219.1016
Annotation	1,2,3-Trimethoxynaphthalene
Peak:m/z	Relative Intensity
55.05503	1.8
56.96556	1.3
57.03433	1.5
62.05544	0.7
67.05495	2.1
69.07058	3.1
69.84888	1.7
69.85280	1.7
71.23357	0.7
79.05478	1.8
81.07069	4.6
83.04965	1.1
83.08575	0.9
91.05482	10.4
93.07033	4.5
95.08608	3.8
97.02879	1.0
97.06519	1.0
98.20766	1.3
98.97590	1.5
103.05452	2.8
105.07008	6.1
107.08585	2.9
109.10150	2.8
115.05452	5.9
116.06261	2.2
117.07009	3.2
119.08564	3.3
121.06543	0.8
121.10170	4.3
123.08047	0.9
128.06206	6.2
129.07014	29.5
130.07758	2.4
131.04938	6.3
131.08569	31.4
132.05717	1.2
133.10153	7.4
135.08046	1.3
135.11642	1.5
137.05972	3.4
141.06993	27.0
143.04889	1.6
143.08546	1.8
144.05692	4.0
145.06514	4.9
145.10143	5.4
146.07268	3.9
147.07986	0.8
147.11668	2.3
148.05211	1.1
149.09605	0.9
151.03888	5.7
155.06079	0.8
155.08595	0.9
157.06503	17.3
157.07753	1.4
158.07281	15.8
159.04463	1.9
159.08058	19.0
159.11708	4.8
160.05180	3.1
161.09605	3.6
161.13255	2.0
163.07579	1.8
169.06491	11.1
169.07732	1.1
170.07297	4.0
171.04393	1.0
171.08124	1.0
173.05992	3.8
173.09642	1.1
173.13174	1.7
174.06769	61.0
175.07513	8.8
175.14847	1.4
176.08182	1.1
186.06754	12.7
187.07407	2.2
188.08301	3.2
189.09113	72.3
190.09706	1.1
191.06996	1.5
191.10623	6.7
201.09109	27.3
201.16386	3.9
203.14326	2.5
219.10158	100.0
219.17419	17.8
220.10429	1.1
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	(1R-cis)-4-(1,2-Dimethyl-3-methylenecyclopentyl)-1,4-cyclohexadiene-1-methanol
Peak:m/z	Relative Intensity
53.03935	1.5
55.05519	6.9
55.65794	1.0
56.96555	3.7
57.07077	1.1
65.03941	1.3
67.05180	1.6
67.05505	14.3
68.39220	1.0
69.03407	1.2
69.07069	6.2
69.17847	10.7
70.71212	1.1
71.04975	3.2
79.05492	13.7
81.07056	27.6
83.04975	2.5
83.08610	3.1
85.06537	2.5
91.05476	16.7
93.07050	23.0
95.04971	12.3
95.08609	27.6
97.02887	1.8
97.06517	4.9
97.10173	3.6
98.97592	9.2
103.05470	2.1
105.03396	1.2
105.07034	47.3
107.04959	1.8
107.08601	22.1
109.06496	3.2
109.10159	38.5
111.04465	2.1
111.08079	3.5
115.05422	2.8
116.06232	1.5
116.98632	3.1
117.07021	10.1
119.08581	30.6
121.06499	3.0
121.10155	22.8
123.04402	2.2
123.08048	5.2
123.11712	9.8
125.09620	3.6
128.06221	1.9
129.06976	5.4
130.07736	2.5
131.04912	2.7
131.08578	14.6
133.10143	26.9
135.04395	1.1
135.08051	2.8
135.11691	11.8
136.92165	2.0
137.09637	10.7
141.07002	2.0
143.08543	2.1
144.05693	3.0
144.09349	2.0
145.06456	2.4
145.10138	26.0
147.08069	1.9
147.11687	7.2
149.05971	1.8
149.09637	4.2
149.13281	6.5
151.03915	14.2
151.54205	1.1
154.93207	2.1
157.06476	1.8
157.10147	1.7
158.99702	1.4
159.02985	1.7
159.08040	4.8
159.11688	26.3
161.09674	1.9
161.13254	62.3
163.07529	1.4
163.11169	6.7
163.14830	1.8
172.94223	3.0
173.09708	1.1
173.13234	5.1
174.06776	2.8
175.07539	3.0
175.14769	6.8
177.05458	2.8
177.16394	1.2
187.03909	1.6
187.07503	4.6
189.09119	3.1
190.95358	1.6
191.10701	1.3
191.17961	15.9
201.09163	2.3
201.12674	1.0
201.16396	30.9
202.22411	1.1
203.14351	7.3
219.06583	2.4
219.10072	15.4
219.13867	4.5
219.17439	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.1015
Annotation	Eupatoriochromene
Peak:m/z	Relative Intensity
51.02391	0.2
53.03943	0.9
55.01870	2.0
55.05511	1.4
56.96562	0.4
57.03440	0.3
57.07067	0.5
60.61049	0.2
65.03942	0.8
67.05502	2.1
68.99786	1.7
69.03426	1.1
69.07069	0.8
70.23271	0.4
70.23635	0.4
70.31157	0.2
71.01366	0.4
71.04996	0.3
74.04207	0.2
77.03930	0.6
79.05487	1.7
80.06271	0.2
81.03421	1.6
81.07056	1.9
83.01343	0.3
83.04999	0.4
91.05487	1.2
93.07050	1.3
95.04969	3.2
95.08606	2.1
95.53658	0.2
97.02889	0.4
99.00811	0.3
100.11250	0.4
103.05460	0.9
105.03384	1.4
105.04498	0.3
105.07014	1.3
107.04991	1.1
107.08583	0.8
109.02877	3.1
109.06552	0.3
109.10162	1.6
109.42934	0.2
111.04424	0.3
115.05435	0.3
117.06992	0.5
119.08567	0.8
121.02872	0.3
121.06498	1.6
121.10125	0.7
123.04430	5.7
123.08086	1.1
123.11725	0.2
125.02359	1.1
127.03916	1.0
128.06247	0.3
129.07054	0.5
131.04947	0.8
131.08565	1.3
133.02863	0.2
133.10118	1.2
135.04413	2.1
135.08055	0.3
135.11642	0.4
137.05963	0.4
139.03894	0.6
143.08632	0.2
145.10098	1.0
149.05992	2.5
149.09615	0.8
151.03903	100.0
152.04221	0.8
153.05475	0.4
154.93163	0.2
155.08563	0.3
158.07381	0.2
159.04367	1.4
159.08058	0.3
159.11682	0.8
161.06000	0.2
161.13300	0.5
163.03914	2.2
163.07552	0.4
163.11102	0.4
165.05487	1.9
172.94258	0.4
173.05981	0.3
173.09673	0.6
174.06754	0.3
175.07506	0.7
176.04723	0.5
177.05475	5.5
177.09042	1.2
182.15361	0.3
183.08069	0.2
189.09131	0.7
190.95372	0.3
191.10628	0.8
195.10129	0.8
199.17967	0.4
201.09113	1.5
201.16373	0.4
203.14235	0.7
219.10161	26.3
219.17421	4.0
220.10400	0.2
220.16951	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	217.0684
Annotation	Unknow
Peak:m/z	Relative Intensity
70.01196	7.5
70.06602	3.0
72.08155	3.2
82.99866	2.0
83.04977	1.8
85.01414	1.7
89.61925	1.5
98.20788	1.8
101.00869	7.3
102.02203	1.5
103.48635	1.8
111.04433	3.7
119.01919	15.2
120.02001	1.7
127.02416	2.2
131.01917	2.8
137.02913	1.7
145.03484	15.6
155.07039	3.3
163.04562	2.1
173.08090	1.9
189.02429	4.8
217.06862	100.0
217.10413	4.0
219.16740	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	217.0683
Annotation	Decarboxytiaprofenic acid
Peak:m/z	Relative Intensity
52.09665	1.2
52.42403	1.6
67.13831	1.4
70.01136	5.6
70.01483	1.5
80.37487	1.5
84.27240	1.4
94.06550	2.6
111.73824	1.2
117.15971	1.3
149.82549	1.3
217.06853	100.0
232.98396	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	216.0356
Annotation	Unknow
Peak:m/z	Relative Intensity
51.07549	3.0
70.01466	4.7
70.02955	3.1
71.50449	3.9
71.50832	4.3
81.58957	2.7
82.98614	2.9
82.99844	12.7
88.02477	4.5
96.84364	2.7
100.02480	3.5
101.00893	91.4
101.02554	9.3
102.00954	4.9
102.04060	6.1
112.02471	12.4
113.00879	11.0
114.52910	2.9
118.03532	4.6
119.01927	100.0
119.03635	9.6
120.02039	3.8
124.69104	3.1
126.04022	20.3
128.03615	3.0
130.03535	28.7
130.05161	3.8
131.01923	39.3
131.03481	3.5
137.02979	9.9
144.05070	96.2
145.03514	4.4
145.05299	7.6
146.04703	5.6
149.02963	12.7
154.03497	7.2
156.01408	12.5
162.06197	6.8
170.03009	42.0
171.03125	5.3
172.04572	12.5
172.06128	4.5
173.02930	4.8
173.04399	3.5
174.02496	36.8
174.04170	10.9
180.53963	3.5
181.01678	4.5
181.03542	3.4
188.04037	38.2
191.04111	7.4
192.03560	4.5
192.05208	9.3
198.04396	3.3
199.00920	13.1
199.02554	5.1
216.03539	82.2
216.05365	26.7
216.12343	8.0
217.01894	16.9
234.04601	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	215.1392
Annotation	L-valyl-L-proline
Peak:m/z	Relative Intensity
55.05513	40.8
55.78251	1.2
56.05027	3.5
56.96561	1.9
58.02959	2.1
60.04507	3.9
67.05488	1.3
68.05027	3.3
70.02943	4.1
70.06577	5.1
70.08479	1.6
70.08829	5.5
70.95853	2.5
72.04491	3.6
72.93799	7.1
73.02908	6.2
73.26884	1.3
81.07068	2.9
82.06586	1.7
83.08618	36.8
84.04485	5.2
84.08144	3.1
86.02447	6.9
87.05588	23.5
88.03983	7.0
90.94833	4.9
93.07024	1.8
96.04479	3.0
97.10709	1.3
98.97594	2.5
98.98418	1.3
99.00802	3.9
100.03988	7.4
100.11256	17.8
101.09672	1.5
102.05548	7.3
108.08105	1.4
109.10192	1.3
110.06075	2.7
110.09682	86.1
111.73693	1.2
112.11248	22.8
114.05492	1.7
124.11230	8.7
126.12782	7.9
127.12331	1.4
128.10750	1.9
132.95830	39.1
139.01573	2.4
149.96109	5.8
150.96896	32.8
152.10713	23.4
154.12309	7.2
155.97482	1.7
156.10207	96.8
163.03859	1.4
167.06993	2.3
167.97180	1.7
169.13371	41.6
170.11771	37.0
171.14944	2.5
173.96104	1.6
180.10092	1.6
191.97171	25.5
198.11255	100.0
209.98178	7.7
215.13925	85.4
228.03314	1.5
237.23300	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	215.1393
Annotation	(4R,5R)-dethiobiotin
Peak:m/z	Relative Intensity
54.13362	0.9
55.01848	1.2
55.05516	24.4
55.93529	1.0
56.05035	1.4
56.96568	4.9
58.02953	1.0
60.04511	2.5
64.21671	0.9
67.05496	2.2
68.05019	2.6
69.03425	2.1
69.07092	1.6
70.02950	2.7
70.06586	4.2
70.68993	1.3
70.69331	2.2
70.95869	4.5
71.04973	1.2
72.04503	1.4
72.08156	1.4
72.93410	1.1
72.93796	16.3
73.02905	2.7
73.42654	0.9
74.09715	1.8
79.05493	1.3
80.05025	1.0
81.03414	1.4
81.07049	3.3
82.06612	1.4
83.04984	1.3
83.08158	1.7
83.08628	22.1
84.04506	2.9
84.08131	2.8
86.02439	6.0
87.05589	14.9
88.04021	5.8
89.03876	1.0
90.94830	14.8
91.05464	2.3
93.07047	2.6
95.08601	1.5
96.04507	1.2
96.08112	1.1
97.02898	1.1
98.09705	1.2
98.97576	5.0
98.98460	5.8
99.00834	2.3
100.04009	6.0
100.11268	17.0
101.09662	1.5
102.05536	3.5
108.08113	1.3
108.95889	1.9
109.06534	1.2
109.10255	1.0
110.06076	1.3
110.09689	48.3
111.04423	1.1
112.11262	17.3
114.05512	1.5
114.94798	1.6
116.98650	1.6
124.11271	4.5
124.99084	2.0
126.12815	6.4
128.03416	1.6
128.98570	1.3
132.95847	91.3
135.04404	2.2
139.01564	5.9
143.00154	3.4
149.96112	15.5
150.96902	100.0
152.10715	13.2
154.12303	4.5
154.94221	1.8
155.97452	3.2
156.10211	61.3
161.01250	2.1
162.01736	1.0
163.03918	10.2
167.97186	8.2
168.97920	1.2
169.13379	25.2
170.11771	22.8
171.14893	1.6
172.95244	2.3
173.96111	2.1
173.98509	2.4
185.01262	1.8
187.07559	1.9
191.97174	60.3
198.11276	59.6
202.82274	0.9
203.02370	1.7
209.96341	1.8
209.98244	24.8
214.98790	2.7
215.03677	1.6
215.07054	3.0
215.08847	1.3
215.13936	50.8
216.12329	3.6
233.05075	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	215.0518
Annotation	Unknow
Peak:m/z	Relative Intensity
57.22712	1.7
67.01836	1.6
69.90116	8.4
79.59657	1.6
82.01440	4.8
82.99860	5.0
98.21492	3.2
100.02486	40.8
101.00882	24.2
107.15741	1.8
111.04099	5.1
112.02489	3.3
116.01889	2.1
118.03532	49.0
119.01931	28.8
119.13216	1.8
126.02792	3.6
126.04012	4.1
127.03558	14.2
129.05121	13.5
130.03493	11.0
136.04536	10.5
137.02948	4.0
142.03554	3.6
144.03879	3.1
144.05054	27.6
145.04568	16.4
146.02989	2.5
147.06169	7.4
148.04591	2.1
148.23915	2.1
154.03470	8.6
160.04594	8.0
162.06197	2.4
170.03003	17.1
171.06169	14.7
172.04553	15.1
172.98828	3.1
173.04091	42.9
174.02515	4.6
180.01448	8.0
188.04053	18.9
188.21288	2.0
189.07230	5.5
190.05640	4.2
190.99924	1.9
191.05139	24.0
197.04118	5.5
198.02454	13.9
214.85059	25.0
215.05194	100.0
216.03581	6.8
216.46852	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	214.1075
Annotation	Unknow
Peak:m/z	Relative Intensity
50.77425	1.0
53.03951	2.2
55.01869	9.5
55.05505	3.4
56.05026	3.9
56.96569	12.0
57.03429	1.9
57.07066	1.4
67.05478	1.3
69.03413	3.3
69.07073	11.3
69.77347	4.8
70.02951	6.8
70.06596	26.2
71.04996	1.5
72.08174	1.5
72.93789	6.0
73.02917	5.0
81.03425	1.2
81.07066	7.8
82.06575	2.4
83.04974	2.7
83.08599	2.1
84.04514	5.4
84.08126	3.7
84.96037	1.0
85.02911	1.9
85.06490	1.0
86.09698	1.8
88.07619	1.1
90.94830	6.7
95.04980	2.5
96.08101	1.2
97.02864	1.5
97.06541	2.4
98.02420	4.2
98.06078	2.3
98.09698	96.6
98.97598	5.3
99.08098	19.1
108.08128	1.4
108.95900	1.6
109.02807	1.5
109.21351	1.0
111.04442	2.0
112.03963	2.2
112.59589	1.2
113.00918	1.2
113.96426	1.6
116.07106	1.8
116.98589	3.1
124.07619	1.2
124.10359	1.7
124.11231	16.3
126.09178	6.1
127.00554	1.2
128.07063	1.7
128.98572	2.3
132.95825	15.0
133.02855	1.3
136.00966	1.2
140.07022	1.2
140.10710	23.1
141.00046	3.7
142.08665	7.3
144.98061	1.3
146.99641	1.1
149.96124	5.6
150.96895	20.4
154.08627	5.1
158.02762	2.5
158.11778	62.4
162.99228	1.1
163.02554	1.1
167.07114	2.3
167.97180	4.4
168.10182	3.8
170.11772	100.0
172.09709	1.7
172.95296	1.1
172.97699	2.2
179.03345	1.2
186.11270	51.3
190.98618	2.5
191.97168	8.1
196.09673	7.2
208.99574	2.3
209.01317	2.5
209.03168	1.0
209.98244	3.5
214.08810	2.0
214.10767	29.1
214.14319	4.7
225.00768	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.185
Annotation	Tectoionol B
Peak:m/z	Relative Intensity
50.60442	0.8
53.03957	0.7
55.01880	3.4
55.05517	11.0
56.96557	2.4
57.03423	1.0
57.07059	2.5
62.68378	0.6
66.79874	0.6
67.05508	5.3
68.54930	0.6
69.03426	1.5
69.07075	21.3
71.04995	4.0
71.08617	1.4
71.16472	1.5
79.05505	6.2
81.06592	1.3
81.07058	18.9
82.07444	0.7
83.04995	1.9
83.08628	10.6
85.06551	5.6
88.07635	1.2
91.05465	3.7
93.07043	15.1
95.07986	1.3
95.08613	37.6
97.06541	2.4
97.10178	8.4
98.97572	2.7
99.08097	23.8
105.07024	3.5
107.08600	38.2
109.02848	0.7
109.06522	1.2
109.10162	11.0
111.08084	15.7
111.11673	0.9
113.09633	3.2
116.98610	1.2
117.23029	0.7
119.08572	2.0
121.10148	60.6
123.08007	0.8
123.11726	3.4
123.25058	0.7
125.06009	5.6
125.09644	6.3
125.13220	1.0
127.03917	1.7
129.07021	1.4
132.04387	0.9
133.10106	0.7
135.11703	11.9
137.13255	10.0
139.11191	2.2
142.07784	1.0
143.08580	0.7
149.13251	5.4
151.14854	0.8
153.12759	1.4
157.06500	0.8
157.10130	1.3
163.07596	1.1
167.07088	0.7
167.08696	0.9
169.08679	0.7
171.11688	1.0
177.16394	100.0
181.05800	1.5
184.05276	1.1
185.05809	1.2
185.09636	2.0
190.06300	1.4
195.08141	2.1
195.13823	3.4
195.17444	14.4
198.06741	1.8
213.05487	2.8
213.09085	13.9
213.12624	1.1
213.16484	1.6
213.18463	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	213.1485
Annotation	3,7-Dimethyl-2,5-octadiene-1,7-diol
Peak:m/z	Relative Intensity
52.06108	2.3
53.03936	6.4
55.01863	5.2
55.05513	34.3
56.96570	6.1
57.03435	17.4
57.07076	19.2
67.05508	90.9
69.03409	4.2
69.07065	31.6
71.04974	7.6
71.08611	2.7
71.52350	3.4
79.05489	52.8
81.03427	3.0
81.06598	5.7
81.07059	100.0
83.04987	18.0
83.08628	22.2
85.06535	9.8
87.75730	2.4
88.07610	9.4
91.05473	26.2
93.07041	80.6
95.04953	4.2
95.08616	36.2
97.06532	20.9
99.04408	2.9
99.08091	4.8
105.07023	14.4
107.04893	3.2
107.08595	57.3
109.06499	5.6
109.10150	7.9
111.04447	96.7
111.08094	14.2
113.06030	2.9
113.09652	2.6
113.83796	2.6
117.07043	13.7
119.08578	7.4
119.67425	2.4
121.06506	7.4
121.10152	25.4
123.08076	3.6
125.06001	30.2
127.07536	4.2
129.07018	2.9
130.07771	3.1
131.08562	15.0
133.10095	11.2
135.08095	16.8
135.11699	37.9
139.07535	5.4
142.07823	3.8
143.08519	4.4
145.10110	15.1
149.09695	2.8
149.13269	55.9
153.12753	7.6
157.10156	8.0
159.11699	22.0
163.11176	28.8
167.07117	3.5
171.11690	4.8
177.12756	12.9
181.10692	4.2
181.12225	59.6
195.06456	2.7
195.12076	3.6
195.13820	19.4
213.05530	4.0
213.09204	3.2
213.12703	9.1
213.14618	5.0
213.16528	16.2
229.44312	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	213.1485
Annotation	3,7-Dimethyl-2,5-octadiene-1,7-diol
Peak:m/z	Relative Intensity
53.03934	3.1
55.01860	3.0
55.05509	21.0
56.96553	6.2
57.03438	14.3
57.07073	4.6
58.41415	2.1
65.03922	3.5
67.05508	78.4
69.07070	29.3
69.60855	13.8
71.04990	9.7
75.24816	2.4
79.05497	34.3
81.03420	2.8
81.07059	100.0
83.04997	11.9
83.08634	23.4
85.06540	4.3
88.07631	5.6
91.05474	19.5
93.07043	72.2
95.04937	5.2
95.08604	28.8
97.06543	18.6
97.10170	2.6
99.04411	2.5
99.08089	5.2
105.07046	10.9
107.04961	3.1
107.08604	36.8
109.06512	3.8
109.10178	5.3
111.08090	11.6
117.07013	10.8
119.08564	6.4
121.10151	24.7
123.11819	2.1
125.09555	2.4
129.07025	4.8
131.08611	11.0
133.10149	12.4
135.11725	14.4
143.08551	3.4
149.09552	3.0
149.13268	52.1
149.14386	4.4
157.10135	10.6
159.11699	20.8
167.07045	4.3
167.97366	2.7
169.10088	3.2
170.10872	3.0
171.11624	7.6
177.12776	10.4
177.16365	2.8
185.09850	2.3
195.06560	5.7
195.11984	3.9
195.13826	12.8
195.15453	2.4
203.98837	2.4
213.05450	2.2
213.12997	12.9
213.16388	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	213.1487
Annotation	MKN-003B
Peak:m/z	Relative Intensity
55.01867	8.3
55.05509	27.0
56.96571	12.7
57.03429	17.4
57.07074	11.6
57.54933	5.3
67.05511	93.7
69.07067	34.6
69.94870	13.6
69.95273	8.0
71.04974	19.1
72.55379	4.7
76.57649	5.1
79.05495	42.9
81.03417	5.6
81.07067	100.0
83.04972	20.4
83.08631	31.9
88.07619	18.3
89.96201	5.1
91.05476	34.3
93.07051	76.8
95.04990	8.6
95.08604	33.6
97.06522	15.6
97.10173	9.5
98.20875	6.2
98.97581	8.9
105.07019	15.4
107.04903	5.9
107.08614	45.7
109.10140	9.9
111.08082	9.8
117.06958	14.7
119.08586	10.7
121.10146	23.9
129.07001	17.8
131.08560	22.2
133.10117	15.1
135.11676	16.4
137.06020	5.3
138.70906	6.4
143.08594	17.5
145.10127	9.7
149.13254	55.3
157.10121	25.2
159.11728	22.2
167.07089	7.3
171.11707	12.5
177.12733	16.0
185.07036	5.3
185.10190	9.7
195.06444	10.2
195.13841	11.7
213.05457	5.2
213.09230	5.5
213.12863	12.4
213.14908	5.7
213.16438	51.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1486
Annotation	3,7-Dimethyl-2,5-octadiene-1,7-diol
Peak:m/z	Relative Intensity
55.01876	8.1
55.05508	26.9
56.96554	13.2
57.03440	20.0
57.07063	8.9
65.73552	4.2
67.05509	83.1
69.07071	28.4
71.04985	8.5
71.52502	7.2
76.99417	3.9
79.05504	41.4
81.03431	6.8
81.07064	100.0
83.04967	17.4
83.08607	18.2
85.06535	6.3
88.07623	16.7
89.90670	4.4
91.05469	18.3
93.07047	74.1
95.05000	5.6
95.08608	34.5
95.58254	4.3
96.66955	3.8
97.06520	18.7
97.10161	5.9
105.07081	9.3
107.04961	6.8
107.08588	45.0
109.06476	4.5
109.10143	8.9
109.62028	4.0
111.08076	10.5
117.07014	14.5
119.08582	8.3
121.06478	4.8
121.10161	25.8
129.06956	5.1
131.08539	14.5
133.10117	12.9
135.11722	20.1
142.07765	7.2
143.08556	11.9
149.13251	55.4
157.10147	16.8
159.11722	20.6
167.07123	6.8
170.07947	9.4
171.11708	16.8
171.36099	4.6
177.12694	11.8
177.16367	6.6
185.07033	4.3
185.10381	8.8
185.13330	4.2
190.03958	4.8
195.06606	8.8
195.13802	16.9
213.05295	4.8
213.09346	4.4
213.12811	16.7
213.16377	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	213.1486
Annotation	7-Oxo-11-dodecenoic acid
Peak:m/z	Relative Intensity
53.03932	2.6
55.01861	5.5
55.05512	17.2
56.96569	10.7
57.03448	16.9
57.07064	8.6
61.44313	1.9
65.03918	2.2
67.05509	82.3
69.07071	31.5
70.06606	2.2
71.04988	7.2
71.51935	2.3
79.05080	2.5
79.05499	40.2
81.03405	5.1
81.07059	100.0
82.97374	1.8
83.04972	8.9
83.08620	18.5
85.06528	5.9
88.07627	7.5
91.02095	2.2
91.05479	23.6
93.07047	74.1
95.04955	6.4
95.08606	25.2
97.06527	19.4
97.10198	3.2
98.97622	3.1
99.08091	4.1
105.04529	2.3
105.07034	9.8
107.08602	37.9
109.06525	4.4
109.10133	5.6
111.08059	7.5
113.06057	2.5
117.07013	8.4
119.08585	2.4
121.06514	2.1
121.10144	26.2
123.11725	1.9
125.09657	4.4
128.06262	2.8
129.06967	3.3
130.96219	1.8
131.08611	10.6
133.10138	7.9
135.08061	3.5
135.11697	15.6
142.07722	3.0
143.08546	7.3
147.11690	3.5
148.97308	2.5
149.09589	2.6
149.13263	53.7
156.09308	2.8
157.10100	8.2
159.11699	19.3
167.07066	4.2
170.08018	2.7
170.10968	2.3
171.11687	6.6
177.12759	11.8
177.16399	2.3
181.08762	2.5
185.07158	3.1
185.10265	2.9
185.13094	2.8
189.55833	2.3
195.06523	3.5
195.11754	2.2
195.13803	8.6
198.14143	2.8
213.05403	10.3
213.09335	3.0
213.12985	12.7
213.16449	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	213.1487
Annotation	(-)-Helicascolide A
Peak:m/z	Relative Intensity
53.03931	1.3
55.01877	9.5
55.05515	48.3
56.57763	0.8
56.96554	1.6
57.03418	1.9
57.07066	1.2
59.04990	1.6
67.05511	21.3
69.03427	5.0
69.06717	1.0
69.07062	8.6
71.04997	49.2
71.16632	1.6
79.05500	14.3
81.03426	1.4
81.06597	1.7
81.07060	25.2
83.04992	4.4
83.08621	27.9
85.06531	5.8
87.04482	6.9
88.07653	0.9
91.05470	4.3
93.07046	16.6
95.04991	1.9
95.08624	7.7
97.06535	66.4
97.10173	45.3
101.09663	1.8
104.15276	0.8
105.07018	3.0
107.04944	0.9
107.08604	14.2
109.06530	0.9
109.10158	13.3
111.08098	4.0
117.07014	3.6
119.08560	1.7
121.06491	1.2
121.10144	2.7
123.08057	1.0
125.09637	29.3
127.03918	1.0
129.07005	1.4
131.08530	3.9
133.10123	3.4
135.08046	6.2
135.11713	4.8
149.09572	2.1
149.13290	4.5
151.11162	0.9
153.09085	1.4
157.10132	2.0
159.11696	5.0
167.08568	1.8
171.10124	1.0
171.11624	1.4
177.12759	6.6
177.16345	1.0
189.11243	5.4
195.06505	1.3
195.08139	2.2
195.13835	32.8
213.05446	2.1
213.09247	6.0
213.14850	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	213.1236
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00864	0.6
53.03938	1.1
55.05515	8.0
56.05038	3.2
56.96563	1.9
57.04567	1.0
57.22049	0.6
60.04520	3.3
62.38218	0.6
67.05517	3.4
68.05030	3.7
69.07060	1.1
70.02953	1.4
70.06593	1.0
71.07048	1.6
72.04524	1.1
73.02916	1.0
79.05502	15.2
80.05029	7.4
81.05827	1.0
81.07060	32.0
82.06585	13.2
83.06106	2.4
83.08628	2.4
84.04517	2.0
84.05631	2.4
85.06430	1.7
86.02428	2.3
87.05598	16.4
91.05476	4.8
93.05801	3.3
93.07043	1.5
94.06580	2.9
94.68951	0.7
95.07354	2.3
95.08620	4.2
96.04491	1.2
96.08133	2.7
97.02901	0.8
97.08919	13.1
98.09711	7.6
98.97596	1.2
99.00825	1.1
100.03986	2.3
101.53413	0.7
105.06995	1.3
106.06563	0.8
107.08571	1.7
108.04492	2.8
108.08122	100.0
109.06556	0.7
110.09010	1.3
110.09692	16.4
111.05563	2.2
113.07160	0.8
114.05529	2.8
115.55264	0.7
119.34534	0.8
122.09674	16.3
123.08075	2.7
124.11212	3.7
124.99081	0.7
126.05522	2.5
126.09167	6.3
127.05080	2.4
128.03433	1.9
133.64616	0.7
136.07584	3.0
142.04976	1.4
148.97427	1.0
149.05917	0.7
150.09160	8.3
151.07530	0.8
152.10696	3.3
153.04118	2.0
154.05043	7.7
154.08636	56.0
167.11810	12.1
168.07744	1.5
168.10196	6.0
169.07173	3.4
169.13441	1.0
170.08000	72.2
176.62318	0.7
178.08488	1.6
183.64426	0.7
185.10349	89.5
189.97574	1.3
196.09698	32.8
198.57797	0.7
213.06129	2.0
213.09869	3.3
213.12349	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	213.1233
Annotation	Unknow
Peak:m/z	Relative Intensity
51.69535	1.5
53.03941	3.9
54.03477	3.2
55.01870	4.2
55.05508	38.2
56.05039	12.9
56.96565	25.0
57.03423	4.7
57.07064	2.4
58.02961	2.3
60.92881	1.6
67.04255	2.2
67.05505	7.5
68.05034	12.3
68.99798	2.5
69.03425	7.2
69.07059	5.4
69.46731	3.6
69.47138	8.0
70.02952	18.5
70.06593	47.4
71.04971	4.2
71.06115	5.0
71.08618	1.8
72.04517	5.8
72.08157	33.3
73.02912	7.4
73.06549	8.4
79.05488	9.4
80.05012	12.6
81.03419	4.0
81.07055	14.7
82.06582	88.3
83.04984	2.6
83.08613	3.3
84.08144	63.1
85.02902	2.2
86.02426	5.3
86.06068	3.8
87.05589	31.7
88.03992	3.5
88.07636	3.5
91.05491	8.0
93.05779	3.4
93.07053	4.4
95.04966	7.0
95.07359	2.8
95.08592	4.1
96.04498	31.1
96.08115	8.9
97.02894	10.8
97.06527	5.1
98.06058	12.9
98.09695	26.7
98.97576	3.7
99.00806	4.5
99.04446	3.4
100.03980	8.6
105.07039	2.6
107.04987	7.5
107.08611	7.8
108.08122	65.4
109.10197	2.6
110.06056	4.4
110.09693	31.8
111.04418	9.4
112.03961	2.3
113.07130	36.7
115.08686	2.8
116.98628	3.3
119.08614	3.1
121.10119	4.6
122.06049	10.2
122.09696	10.2
123.04427	11.7
124.07594	25.1
124.11215	9.2
125.05994	4.4
125.09663	1.8
126.05496	5.4
126.09154	19.0
127.03940	4.2
128.07077	100.0
130.96298	2.0
133.10094	1.8
135.04457	4.1
135.08124	3.1
136.07590	2.0
137.02354	5.4
137.06012	2.0
139.03899	16.8
141.10229	22.7
142.08638	44.7
143.00143	2.2
148.97353	4.2
149.09634	4.6
149.13351	2.6
150.09167	6.4
151.03896	18.1
152.10738	5.2
153.05472	13.9
154.04988	5.3
154.08629	21.8
161.01193	2.3
163.03902	5.2
164.10745	13.1
167.07025	9.5
167.08440	3.0
167.11844	9.2
168.10197	13.7
169.13388	4.1
170.08121	94.3
170.99649	4.2
177.09027	2.9
181.04953	64.7
181.13344	5.2
185.07147	3.7
185.10249	2.9
189.00687	9.6
189.97629	1.7
195.06555	5.8
195.08174	3.1
196.09689	46.6
207.01674	2.1
213.05354	2.7
213.07388	5.7
213.09116	4.1
213.12375	71.8
213.16057	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1694
Annotation	3E,5E-tridecadienoic acid
Peak:m/z	Relative Intensity
53.03925	1.4
53.89368	0.9
54.11701	1.1
55.01850	1.4
55.05268	1.2
55.05508	15.5
56.96564	7.0
57.03424	1.6
57.07061	3.9
59.04986	4.2
60.41766	0.9
66.87939	1.0
67.05508	18.7
68.30011	0.9
69.03433	5.2
69.07066	6.2
70.06583	1.4
71.04987	9.1
71.16630	2.0
72.08160	1.1
79.05487	6.9
81.03400	4.0
81.07061	13.0
83.04975	6.8
83.08622	14.4
84.96040	1.0
85.02889	1.9
85.06541	5.2
89.03916	1.3
91.05473	6.5
93.07044	11.1
95.04969	100.0
95.08604	28.3
97.02911	1.0
97.06531	6.2
97.10157	1.8
97.99191	2.6
98.97559	4.0
99.04462	8.4
99.08096	64.6
101.05986	2.0
102.74295	1.1
103.05447	2.0
105.03425	1.1
105.07037	6.7
107.04989	1.0
107.08605	14.4
108.04467	1.1
109.02905	1.2
109.06516	5.7
109.10159	41.5
110.97541	1.1
111.05309	3.2
111.08097	5.5
113.06042	1.8
113.09618	2.8
116.98606	1.2
119.01834	1.2
119.08586	12.1
120.08133	1.1
121.06451	1.3
121.10132	6.8
123.04404	2.8
123.08049	3.7
123.11724	4.8
125.09625	4.2
127.07543	1.1
127.11168	2.6
128.98611	1.7
133.10126	10.4
135.04405	1.4
135.11694	15.8
137.02344	1.6
137.05983	1.1
137.09618	50.2
139.11174	2.4
142.06123	1.0
147.04359	1.4
147.08084	1.3
147.11629	1.2
149.05946	1.9
149.09576	1.1
149.13280	3.0
151.03888	1.3
151.07578	1.3
151.11159	3.4
151.14713	2.4
153.12756	3.3
155.04881	1.1
155.10675	37.8
163.03911	6.1
165.09097	3.1
165.16380	1.4
167.07127	7.9
167.08449	1.5
175.14810	11.6
177.00650	1.0
180.03766	1.0
193.12239	2.9
193.15878	19.4
211.04095	5.0
211.05722	1.2
211.07545	1.4
211.09340	1.5
211.11249	2.4
211.16937	52.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1694
Annotation	3E,5E-tridecadienoic acid
Peak:m/z	Relative Intensity
51.72514	0.7
53.03951	1.4
55.01866	0.8
55.05269	1.0
55.05514	14.6
56.96568	7.1
57.03437	4.2
57.07076	3.6
58.12938	0.8
59.04993	3.0
65.03942	0.7
67.05505	29.1
67.94469	0.7
69.03432	8.9
69.07072	18.9
69.28561	2.1
69.28977	4.1
70.06586	0.8
71.04993	5.7
71.08624	1.3
73.26164	0.8
79.05489	8.3
81.03416	4.5
81.07060	29.4
83.04982	14.6
83.08628	9.2
85.06540	4.6
91.05486	7.3
93.07050	14.5
95.04966	5.7
95.08608	38.2
96.99751	0.9
97.06540	3.0
97.10173	2.8
97.99185	2.0
99.08092	4.7
105.07035	10.1
106.98830	0.8
107.04978	1.3
107.08598	25.2
107.09311	1.7
108.52972	0.9
109.06533	13.3
109.10159	100.0
111.08077	4.4
113.09660	2.8
116.00208	0.9
119.08585	25.0
121.10146	12.9
123.04521	0.8
123.08074	15.4
123.11716	9.3
125.09647	2.2
127.07558	0.8
127.11215	0.9
131.08586	1.0
133.09113	1.5
133.10133	30.4
135.11696	75.0
137.06039	1.2
137.08586	0.7
137.09619	17.7
138.10367	0.8
139.11182	2.3
142.06117	1.5
147.11691	5.3
147.26385	0.8
149.09576	0.7
149.13284	7.0
151.07608	0.8
151.11191	15.7
151.14807	13.9
153.12764	3.7
155.07042	2.4
155.08551	0.8
157.10149	1.0
165.12816	1.7
165.16423	3.0
167.07048	1.3
167.10707	1.5
169.10143	1.5
175.11203	2.2
175.14827	23.2
175.16296	1.4
181.10184	0.9
193.12260	5.4
193.15878	20.9
196.12471	2.2
211.07703	0.8
211.11449	1.4
211.12987	4.4
211.14864	5.2
211.16946	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	211.1693
Annotation	Unknow
Peak:m/z	Relative Intensity
50.97416	0.7
53.03945	1.7
55.01884	1.8
55.05511	17.3
56.96569	6.0
57.03435	10.7
57.07075	4.6
59.04992	2.2
60.85052	0.8
65.03940	1.3
67.05507	28.7
69.03429	11.4
69.06731	1.3
69.07068	18.6
70.21457	1.7
71.04995	5.4
71.08629	2.1
79.05494	10.4
81.03424	9.7
81.07056	33.2
81.76672	0.8
83.04984	17.1
83.08155	1.1
83.08620	12.1
83.14041	1.0
85.02870	1.6
85.06543	5.3
91.05482	9.5
93.07043	18.4
95.04978	10.2
95.08607	42.3
97.02882	1.0
97.06543	5.6
97.10178	4.0
97.99179	2.0
99.04433	1.4
99.08096	5.8
105.07031	12.8
107.07881	1.3
107.08599	25.9
108.22631	0.8
109.06524	14.3
109.10158	100.0
111.08076	5.9
111.11713	1.1
113.05954	0.9
113.09616	2.1
119.08583	27.1
121.06502	1.4
121.09321	1.3
121.10146	13.4
123.08076	20.5
123.11710	9.9
125.09621	7.1
127.11174	1.8
129.06993	1.5
131.08556	2.1
133.06581	1.0
133.10132	20.4
135.11696	65.1
137.08673	1.3
137.09624	17.8
137.13257	1.2
138.10277	0.9
139.11150	5.2
142.06117	1.6
147.08064	1.2
147.11678	6.1
149.06026	1.5
149.09567	3.1
149.10655	0.8
149.13271	6.6
151.11191	12.5
151.14828	12.1
153.12733	3.3
155.03323	1.0
155.08542	0.9
155.10609	1.6
157.10129	1.7
165.12726	1.3
165.16386	3.6
167.07079	4.2
167.10637	7.0
169.12386	1.0
175.11179	3.4
175.14832	24.5
181.08641	1.5
183.06516	1.2
193.12296	6.1
193.15881	24.3
211.11423	1.4
211.13272	3.7
211.15112	1.2
211.16890	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	211.1693
Annotation	3E,5E-tridecadienoic acid
Peak:m/z	Relative Intensity
52.05327	1.2
55.05506	13.0
56.96565	1.8
57.03439	7.4
57.07061	3.4
59.04999	2.1
67.05507	24.6
68.68027	1.1
69.03422	8.2
69.07066	15.4
71.05001	6.1
71.08613	1.3
71.25842	2.7
71.54886	1.1
79.05488	4.3
81.03404	1.5
81.07063	27.2
83.04988	11.6
83.08627	12.0
85.06547	5.1
91.05479	5.2
93.07065	13.6
95.04964	4.8
95.08608	40.5
96.55586	1.2
97.06498	3.4
97.10162	3.9
97.99171	1.4
99.08096	6.6
103.87820	1.2
105.07036	9.6
107.08600	29.0
109.06537	13.7
109.10160	100.0
111.08073	5.2
113.09634	2.3
117.06947	1.4
119.08584	28.3
121.10166	13.5
123.08070	16.1
123.11703	11.1
125.09629	4.9
133.10115	18.0
135.11697	73.2
137.05962	1.2
137.09619	19.4
139.11215	4.3
143.70329	1.2
147.11678	2.6
149.09628	2.2
149.13277	6.3
149.30638	1.2
151.11195	10.0
151.14824	15.6
153.12741	2.9
165.12868	1.9
165.16396	2.5
167.07050	1.7
167.10663	4.4
175.14830	26.0
193.12225	2.0
193.15891	26.0
211.13226	1.7
211.16954	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	211.1694
Annotation	3E,5E-tridecadienoic acid
Peak:m/z	Relative Intensity
50.39831	0.9
53.03937	2.9
55.01867	3.0
55.05513	26.5
55.72598	1.0
56.96561	4.5
57.03437	10.7
57.07063	3.7
57.48230	1.2
59.04984	3.2
59.54192	0.9
65.03928	1.3
67.05505	40.8
68.75516	0.9
69.03423	12.5
69.06729	1.6
69.07073	21.1
70.07004	2.3
70.07397	3.1
70.75497	0.9
71.05000	6.9
71.08635	1.4
79.05070	1.4
79.05495	18.0
81.03424	32.7
81.06589	1.9
81.07059	38.6
83.04984	27.8
83.08620	19.6
84.96032	0.9
85.06554	7.1
87.08064	1.0
91.05492	17.2
93.06480	1.8
93.07043	21.2
95.04966	18.8
95.08611	49.0
97.06531	12.1
97.10166	4.9
97.99163	1.8
99.04446	1.2
99.08105	7.3
101.06017	1.3
105.07044	18.1
107.04939	3.8
107.08599	28.5
109.06514	15.3
109.10160	100.0
111.04428	2.0
111.08084	9.6
113.06034	1.4
113.09623	3.1
115.05426	1.6
117.07040	1.6
119.08585	36.1
121.06495	2.2
121.10140	16.4
123.04419	3.3
123.08073	18.2
123.11717	11.4
125.09635	6.5
125.10694	1.1
127.11220	1.1
129.06978	4.7
131.08562	6.4
133.06517	1.7
133.10136	23.7
134.32330	1.2
135.11696	69.8
137.05925	1.6
137.09613	20.6
139.11203	4.5
142.06131	2.7
142.07799	1.5
145.10149	1.3
147.08096	1.9
147.11684	9.7
149.06006	4.2
149.09602	3.9
149.13246	5.5
151.07498	3.0
151.11214	11.7
151.14845	12.4
153.12759	2.2
155.10678	1.7
157.10149	6.0
163.14857	3.7
165.12733	3.0
165.16367	2.7
167.07033	12.1
167.10675	6.2
175.11224	9.3
175.14844	25.3
175.70094	1.1
179.07053	6.4
180.80449	1.1
181.08615	4.2
181.14401	1.1
193.08661	1.7
193.10577	1.1
193.12251	20.2
193.15883	24.5
211.05843	2.3
211.07588	2.6
211.09639	2.3
211.13214	12.6
211.14978	1.5
211.16953	11.9
211.71333	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1692
Annotation	3E,5E-tridecadienoic acid
Peak:m/z	Relative Intensity
53.03940	4.6
54.00074	2.0
54.01762	2.1
55.01873	4.9
55.05265	3.1
55.05510	34.7
56.96564	18.0
57.03445	11.9
67.05501	40.1
69.03429	10.2
69.07070	26.5
69.34163	2.5
71.04996	16.0
71.52779	3.6
71.72702	2.0
73.06565	2.3
74.50635	2.3
79.05495	27.0
81.03420	48.2
81.07060	64.2
83.04977	33.9
83.08611	29.1
84.96012	2.5
85.02899	2.7
85.06557	12.5
91.05474	26.8
93.07045	58.9
95.04976	30.3
95.08604	68.3
97.02918	2.6
97.06525	9.3
97.10165	3.4
97.99162	6.7
99.04424	4.5
99.08102	15.9
101.06015	2.6
103.05444	3.6
105.03365	5.4
105.07041	29.3
107.04955	6.0
107.08601	64.4
108.04729	2.3
109.06518	8.8
109.10157	56.2
111.04440	3.6
111.08107	12.1
117.07011	3.8
119.08586	40.5
121.06508	7.6
121.10150	24.0
123.04401	5.4
123.08070	9.0
123.11708	21.1
125.09659	10.6
129.07002	6.2
131.08545	5.7
133.06503	2.5
133.10138	32.1
135.08069	4.3
135.11690	83.0
137.05925	2.1
137.09615	18.2
137.13214	6.9
139.11185	2.4
142.06122	12.8
147.08034	3.0
147.11662	17.0
149.05943	9.5
149.09595	5.5
149.13298	10.5
151.10106	2.0
151.11191	11.7
151.12218	2.3
153.12730	6.3
155.08562	3.5
155.10712	5.4
157.10121	9.5
163.14822	100.0
165.12823	5.8
165.16513	2.8
166.06256	3.8
167.07045	30.9
167.10599	2.9
167.14322	4.5
175.11227	11.9
175.14832	35.7
179.06982	2.7
181.08583	8.5
181.15852	9.0
183.06546	3.7
183.15768	2.8
193.05013	2.0
193.12244	28.8
193.14001	2.7
193.14316	2.5
193.15852	19.2
203.65192	2.2
211.07628	11.5
211.09467	3.3
211.13168	11.0
211.15088	3.8
211.16908	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	211.1693
Annotation	Unknow
Peak:m/z	Relative Intensity
52.38568	0.7
53.03942	1.6
55.01860	2.5
55.05511	9.5
56.96564	4.7
57.03440	6.4
57.04538	0.8
57.07060	2.5
59.04990	1.7
67.04236	4.6
67.05183	1.0
67.05508	14.0
68.05019	1.5
68.13705	0.9
69.03440	9.4
69.04556	30.9
69.05794	2.4
69.07074	14.4
69.61833	4.7
71.04995	5.4
75.00356	0.7
79.05501	8.1
81.03432	5.0
81.04523	1.5
81.06593	1.1
81.07064	18.0
83.01346	1.5
83.04504	0.9
83.04985	12.2
83.08624	6.1
83.99128	0.8
84.96018	1.3
85.02911	13.4
85.06541	4.8
86.09697	1.2
86.93841	0.7
91.05485	28.8
93.06509	0.8
93.07057	15.0
94.06558	4.0
95.04978	9.2
95.06075	2.2
95.08609	29.1
96.04514	0.9
97.02880	5.2
97.03994	1.5
97.06544	3.9
97.10158	2.2
97.99145	1.0
98.00641	3.8
98.97611	1.0
99.00165	8.3
99.04440	3.2
99.08106	6.4
101.06023	1.0
103.05453	1.3
105.07037	7.6
107.04904	1.4
107.08601	13.1
108.05611	20.7
109.02872	1.3
109.06517	6.0
109.10162	26.6
111.04448	0.9
111.08084	6.6
111.11687	1.4
111.16678	0.7
112.02206	10.6
113.01698	2.9
113.05989	3.2
113.09634	1.4
119.04946	1.1
119.06058	6.4
119.07827	1.0
119.08587	14.5
121.06493	2.7
121.10148	16.4
122.06325	1.5
122.07160	19.1
123.04422	2.8
123.07987	18.7
123.11720	6.5
125.01697	14.1
125.09648	7.1
126.06560	0.8
127.03910	1.2
129.07033	1.6
131.08565	1.5
133.06506	1.3
133.09239	1.5
133.10135	12.7
135.04442	1.0
135.08176	1.0
135.10715	1.0
135.11699	16.2
137.02359	9.7
137.05991	3.9
137.08537	0.8
137.09625	15.8
138.01204	5.4
139.03242	8.3
139.11145	1.2
141.09088	1.1
142.06131	7.3
147.04308	1.3
147.08066	1.1
147.11671	4.0
149.05971	3.3
149.09621	0.9
149.13272	7.5
150.09898	1.0
151.03903	1.6
151.07559	1.1
151.11220	3.8
151.14830	3.7
152.02789	36.1
152.07076	5.2
153.12794	1.9
154.04327	2.2
155.08641	1.0
155.10660	16.9
157.10106	1.1
165.05479	3.2
165.12817	1.0
165.16371	2.4
166.06282	1.0
166.15865	1.3
167.07053	11.9
167.16237	2.6
175.11168	1.5
175.14836	14.3
180.71722	0.8
181.05441	100.0
181.08611	3.6
183.06543	1.3
189.00687	0.8
193.04941	3.5
193.08620	1.9
193.12259	2.9
193.15901	16.1
194.11739	1.9
195.09146	2.2
199.06487	8.1
211.06458	49.1
211.11263	1.8
211.13211	2.4
211.14880	2.0
211.16937	26.5
211.18825	1.5
212.11818	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	211.1694
Annotation	3E,5E-tridecadienoic acid
Peak:m/z	Relative Intensity
50.78147	0.9
54.69457	1.1
55.01876	1.5
55.05269	1.6
55.05511	24.1
56.00668	1.1
56.96554	4.1
57.03411	2.4
57.07071	5.3
59.05002	2.6
65.03911	1.2
65.77690	0.9
67.05503	22.6
69.03413	4.5
69.07078	13.3
70.45745	2.6
71.04989	14.3
75.39186	1.0
79.05500	7.1
81.03406	3.3
81.07056	22.9
81.74187	1.0
83.04980	6.5
83.08159	1.9
83.08621	30.4
85.06533	8.2
91.05487	7.6
93.07040	24.0
95.04968	100.0
95.08610	43.4
97.06528	7.0
97.10162	1.0
97.99150	1.1
98.25402	1.1
98.97583	1.4
99.04445	10.2
99.08095	93.4
101.06015	3.5
101.19634	1.0
105.07021	9.7
107.08590	27.0
109.06514	6.8
109.10157	54.0
111.08092	8.6
111.11712	1.4
113.09612	4.4
117.07002	2.3
119.08581	18.2
121.10150	9.8
123.08059	4.0
123.11721	7.7
125.09632	2.9
127.07545	3.3
127.11183	3.2
131.08525	1.3
133.10141	16.8
135.11690	39.6
137.09621	51.8
139.11134	1.2
141.06992	1.4
142.06097	3.3
147.11676	3.3
149.05925	1.3
149.13255	5.7
151.11180	6.6
151.14757	3.6
153.12773	11.4
155.08603	2.5
155.10663	45.6
163.14755	2.8
165.16432	2.3
167.06985	4.5
169.10107	1.5
175.11203	2.0
175.14833	18.2
193.12259	3.2
193.15886	24.8
211.15121	2.4
211.16928	59.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.133
Annotation	Libanotic acid
Peak:m/z	Relative Intensity
51.02377	1.3
51.06430	1.1
53.03936	4.2
55.01865	4.8
55.05511	40.4
56.47805	1.1
56.96566	36.7
57.03437	9.9
67.05506	30.1
69.03437	10.6
69.07063	9.8
69.14806	13.3
71.04998	6.6
79.05492	27.3
81.03419	100.0
81.07059	37.6
82.01456	1.7
83.04986	44.3
83.08618	36.6
84.96052	6.6
85.06551	2.4
91.05479	29.7
93.07048	19.1
95.04976	33.1
95.08607	14.2
97.02884	4.6
97.06535	6.2
97.10161	8.9
97.99186	20.8
99.04436	2.1
99.08095	3.5
100.02482	3.4
105.07033	23.4
107.04958	6.2
107.08598	9.5
109.06535	8.4
109.10157	6.7
111.04433	2.8
111.08086	15.7
116.00211	7.8
117.07023	2.2
118.03395	1.2
119.08589	20.7
119.61061	1.1
121.06489	2.9
121.10145	9.4
122.28474	1.2
123.08061	4.3
123.11737	1.8
125.09629	3.0
125.98644	1.2
129.07030	12.1
130.56027	2.6
131.08553	13.0
133.06506	3.7
133.10136	14.2
135.08128	1.5
135.11726	1.9
136.56046	1.5
137.09645	2.2
142.06119	1.7
142.07784	3.5
143.06950	1.4
143.99687	2.5
144.57634	3.4
145.10123	1.9
147.08086	4.6
147.11690	14.7
149.09605	7.7
150.57629	5.4
151.07671	2.6
151.11324	1.5
153.58150	1.2
155.08572	2.9
157.10126	16.7
157.58417	2.5
165.10173	1.2
165.12778	3.6
167.07056	1.2
169.10226	2.4
175.11192	18.1
176.60913	2.2
183.11707	1.4
185.61519	25.8
186.11653	3.2
187.98732	1.7
188.11853	2.5
193.12239	56.7
194.62086	3.2
197.09032	1.2
197.12306	7.7
211.13254	28.2
211.14821	2.9
211.16771	2.7
224.99632	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.133
Annotation	Libanotic acid
Peak:m/z	Relative Intensity
50.78728	1.0
53.03944	4.9
55.01868	4.0
55.05515	37.7
57.03438	11.3
57.07062	1.1
59.04983	1.3
65.03940	1.2
67.05507	26.8
67.90701	1.1
69.03432	8.2
69.07071	10.6
70.11003	4.0
71.04997	4.4
75.89313	1.1
79.05070	1.9
79.05500	26.7
81.03422	100.0
81.07057	30.8
83.04983	48.1
83.08624	34.5
85.06545	3.2
89.17616	1.0
91.05486	32.1
93.07054	20.8
95.04971	31.2
95.08608	11.5
97.02894	1.9
97.06541	4.9
97.10162	8.7
98.21466	1.6
99.08099	1.5
105.07036	22.2
107.04958	7.0
107.08591	8.5
109.06503	7.7
109.10143	7.7
111.04432	1.7
111.08089	14.5
113.06004	1.4
115.05465	1.6
117.06992	1.4
119.08598	17.6
121.06510	1.4
121.10128	10.0
123.08101	6.3
123.11687	2.3
125.09631	3.7
128.39249	1.0
129.07002	10.7
131.08546	12.0
133.06487	2.6
133.10144	13.6
135.11723	4.6
137.09584	3.1
142.07800	3.5
145.10152	1.7
147.08070	3.1
147.11681	14.7
149.09605	6.9
151.14822	1.2
157.10132	17.2
165.12738	4.4
167.10680	2.2
175.11182	16.8
175.12579	1.7
193.12253	53.9
193.15970	1.8
211.13292	23.5
234.81563	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.0966
Annotation	Sinapyl alcohol
Peak:m/z	Relative Intensity
53.03931	1.8
54.03925	0.4
55.01865	1.2
55.05502	1.6
56.96568	8.8
57.03426	1.8
61.95874	0.4
67.05512	2.2
69.03431	1.3
69.07063	0.7
70.06587	0.5
70.90143	0.8
71.04975	1.7
73.02903	0.8
77.03932	0.6
78.04711	2.9
79.05482	2.5
80.04555	0.4
81.03413	3.1
81.07060	2.8
83.04957	1.2
83.08627	0.9
84.08148	0.4
84.75566	0.4
84.96024	1.5
85.02911	2.2
85.06537	0.6
85.40475	0.4
88.88583	0.5
89.03900	0.7
89.27415	0.4
90.05559	0.5
91.05483	11.3
93.07045	9.9
95.04981	4.4
95.06081	0.7
95.08608	1.7
96.02069	0.6
97.02895	1.4
97.06519	0.7
97.99170	2.4
98.97577	3.6
99.04430	0.7
99.08096	0.5
99.61285	0.5
103.04811	0.5
103.05472	8.7
105.03384	0.7
105.04500	1.1
105.07036	4.3
105.99979	0.5
106.04161	2.2
107.04952	1.8
107.08577	1.0
108.02032	0.6
109.02866	0.9
109.06514	1.3
109.10163	1.7
110.01254	0.5
110.97572	1.6
111.04396	0.7
112.99121	1.7
115.00478	0.7
115.05443	0.6
116.00208	1.4
116.98631	1.3
119.01773	0.4
119.04958	0.7
119.08582	0.8
119.97269	0.4
121.02875	1.6
121.06509	16.4
123.04433	10.8
123.08084	0.7
124.05219	2.4
127.03879	0.6
128.98599	1.0
129.06998	0.5
131.00198	2.1
131.06058	0.7
133.06531	3.2
133.10126	1.4
134.03622	0.6
135.04433	1.1
135.11703	0.9
136.07576	0.4
137.02351	12.0
137.05991	2.3
137.09590	1.2
139.00502	0.4
140.04692	0.6
141.05429	0.9
142.06181	2.0
143.00146	0.9
143.01779	0.5
145.96701	0.8
146.99707	0.6
147.03262	0.5
147.04373	0.4
147.11627	0.5
148.00958	0.5
149.01260	1.0
149.05984	30.7
150.00818	0.5
151.03972	3.4
151.07553	1.1
152.04678	1.4
153.19795	0.4
155.10648	0.4
161.01306	0.7
161.04753	0.8
161.05984	4.4
161.07364	0.6
163.03877	2.2
163.97739	0.9
165.05534	3.9
165.06821	0.7
165.09103	0.7
166.04982	0.7
166.06256	6.5
167.07042	100.0
170.02373	0.6
170.99660	0.5
175.14853	0.8
177.00603	0.5
179.02936	0.6
179.07065	0.9
180.07788	2.2
181.08601	32.2
183.06561	1.2
185.01216	1.2
188.03368	0.6
189.00726	0.5
193.05003	1.9
193.08539	2.1
193.12225	0.6
203.02325	1.8
205.98705	0.8
210.99094	0.7
211.05956	1.2
211.07820	0.4
211.09584	6.8
211.14735	0.9
211.16895	0.8
219.01811	0.6
229.00116	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1537
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
53.03952	1.7
55.01876	3.1
55.05519	5.9
56.87298	0.6
56.96565	2.7
57.03437	3.6
57.07081	2.4
58.85501	0.6
59.05000	2.8
63.32141	0.6
65.03939	2.0
67.05503	8.7
67.81740	0.6
69.03431	2.9
69.07074	5.5
69.62392	3.2
70.06582	0.7
71.04993	4.0
73.50479	0.6
75.04518	0.6
79.05500	11.3
81.03430	1.4
81.07059	25.6
83.04994	6.6
83.08621	5.2
85.02907	1.1
85.06543	3.9
85.10159	0.7
91.05486	9.9
93.03415	1.1
93.07041	13.7
95.04971	37.8
95.08608	9.8
97.02885	1.0
97.06537	30.0
97.10164	0.8
98.20725	0.7
99.04459	7.7
99.08097	2.1
100.11282	1.0
100.99149	1.5
103.05466	2.2
105.07030	12.6
106.04203	3.1
106.54036	0.5
107.04971	1.6
107.08597	20.7
109.06519	100.0
109.10159	21.9
111.04433	1.0
111.08080	4.1
112.00001	0.7
112.33189	0.6
113.05991	0.9
113.09661	1.3
115.05445	0.7
115.07570	1.1
117.07011	2.1
119.00204	2.6
119.08589	5.1
121.06499	5.4
121.09332	1.2
121.10147	20.1
123.08076	6.2
123.11713	3.4
125.05975	1.4
125.09618	4.2
131.04953	1.0
131.08575	10.0
133.10130	40.9
134.01189	1.3
134.03629	0.7
135.04440	1.4
135.08044	10.1
135.11696	2.9
137.09618	1.7
139.11197	1.3
143.08574	1.3
145.02873	0.9
145.10135	3.9
146.38016	0.7
147.04343	1.0
147.11705	3.6
148.05214	1.3
149.02383	3.4
149.05948	4.7
149.09625	6.2
149.13248	7.0
151.11179	5.6
152.08220	4.5
153.05585	0.7
153.09108	26.6
158.10915	1.9
160.02795	0.8
163.02734	0.7
163.03955	0.8
163.07533	1.9
163.11156	2.0
163.14861	5.4
167.07051	1.1
167.14352	3.8
173.11775	1.1
173.13254	19.5
177.05446	4.7
181.08580	1.2
181.15875	0.7
191.07042	5.2
191.10683	0.9
191.14304	18.5
192.01158	0.6
193.04994	3.4
194.05400	0.8
209.04350	0.9
209.08044	3.9
209.10225	4.8
209.15349	37.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1537
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
55.01878	3.1
55.05516	46.5
56.96575	1.7
57.03448	2.2
57.07080	1.6
58.99578	2.7
59.04988	3.0
67.05519	6.5
69.03435	11.3
69.07069	8.8
70.25728	2.7
70.26102	4.7
71.04993	5.8
75.01453	1.2
76.02245	1.4
76.48499	1.6
79.05492	7.9
81.07051	11.1
83.04985	41.6
83.08624	31.4
85.06537	3.8
86.99055	1.9
91.05498	9.1
93.07048	32.0
95.04977	72.9
95.08610	7.3
97.06534	5.6
97.10181	5.6
98.82187	1.3
99.04460	11.4
99.08138	2.3
102.03574	1.3
105.07054	8.5
107.04916	2.0
107.08601	38.5
109.06535	10.7
109.10171	15.0
111.08096	6.1
113.09641	1.4
119.08589	6.6
121.06507	1.5
121.10151	100.0
123.08121	2.7
123.11700	7.8
124.31360	1.4
125.09639	10.6
131.08571	2.6
133.10109	8.3
135.08064	4.1
135.11711	4.0
145.10139	1.7
149.09642	2.9
149.13283	4.9
151.11189	30.9
153.09117	19.6
162.53224	1.6
163.14839	17.7
167.14333	47.0
173.13298	5.3
175.07599	5.3
176.08307	1.9
191.06987	1.7
191.14293	15.0
194.02139	1.6
209.04471	5.3
209.08087	2.7
209.10217	3.7
209.13736	2.6
209.15387	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	209.1537
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
50.06849	0.3
50.23841	0.3
53.03949	0.6
55.01878	1.7
55.05496	1.3
56.96562	0.4
57.03430	0.4
57.07080	3.7
59.04990	1.0
61.03225	0.3
63.29356	0.3
65.03941	0.5
67.05502	3.6
68.51592	0.3
69.03436	0.7
69.07059	1.6
70.03188	0.3
71.04988	2.6
71.32021	0.4
79.05492	3.9
80.37031	0.4
81.03409	0.5
81.07053	4.7
83.04984	1.8
83.08610	1.4
85.06549	0.8
85.71216	0.5
91.05471	3.4
93.07038	4.2
95.04965	4.3
95.08601	5.0
97.06521	0.9
97.10181	0.5
99.04453	0.5
99.08064	0.6
103.05450	0.5
105.07037	3.9
106.04152	1.1
107.04957	0.4
107.08600	6.0
109.06519	100.0
109.10155	10.5
110.06860	0.4
111.08088	1.4
115.05463	0.4
117.07017	1.4
119.08595	2.0
121.06483	2.2
121.10155	2.6
123.08067	9.1
125.09657	1.5
128.06329	0.4
131.08571	6.6
133.06543	0.5
133.10146	3.2
135.08055	26.4
135.11679	0.5
136.08907	0.4
139.11195	0.6
143.08559	0.4
145.10095	1.9
147.08063	0.5
147.11693	1.5
149.05975	1.6
149.09618	3.2
149.13274	1.4
150.10355	0.9
151.11241	2.1
153.09117	4.3
156.38484	0.4
158.10913	1.0
161.09613	0.5
163.07579	0.5
163.11150	0.8
167.14420	0.8
173.13263	6.6
176.12024	0.5
177.05492	1.0
191.07069	1.5
191.14314	23.5
209.08250	0.8
209.10223	1.0
209.15366	10.5
223.80054	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1538
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
53.89128	1.7
55.01869	3.0
55.05506	6.3
57.03429	2.2
57.12711	1.5
66.84718	1.7
67.05498	4.8
69.03431	8.8
69.07055	7.8
69.19958	11.6
69.20382	5.0
71.04992	2.2
79.05486	8.8
81.07059	18.6
83.04969	4.7
83.08619	2.9
85.06546	2.0
91.05490	11.3
93.07050	9.0
95.04965	8.4
95.08607	5.6
97.06560	8.2
105.07015	7.6
106.04213	2.3
107.04903	2.0
107.08592	25.9
109.06525	31.0
109.10213	9.2
109.21381	1.8
111.08053	3.4
115.05480	3.8
117.07022	5.7
119.06048	2.6
119.08562	6.4
119.67178	1.6
120.57947	1.8
121.06509	4.4
121.10161	22.4
122.07294	9.0
123.08061	4.4
123.11684	2.5
131.08522	4.2
133.10136	100.0
135.08060	30.0
137.09624	74.2
145.10135	2.2
147.11670	1.9
149.05952	5.0
149.09581	6.3
149.13271	19.3
151.11150	5.1
152.08200	2.2
153.09103	6.4
163.14775	2.3
165.12856	2.2
173.13255	6.2
177.05457	3.2
181.08601	2.2
191.07045	2.4
191.14279	12.6
209.08066	3.4
209.09998	3.4
209.15334	11.1
218.68983	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1538
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
55.01869	2.4
55.05518	12.6
57.03429	4.6
57.07062	4.1
59.04992	3.9
65.03926	1.4
67.05511	12.9
68.99787	1.6
69.03432	6.4
69.07068	15.8
69.67045	6.3
71.05006	11.7
77.03915	1.1
79.05489	11.0
81.03414	2.5
81.07057	24.2
83.01324	3.5
83.04982	16.2
83.08618	6.8
85.02921	1.2
85.06556	7.3
91.05477	10.2
93.07053	28.2
95.04971	100.0
95.08607	19.3
97.06554	7.4
97.10181	2.3
99.04463	21.6
99.08103	19.0
103.05471	2.3
105.07043	15.2
106.04161	2.6
107.04941	3.6
107.08602	41.6
109.06514	10.3
109.10153	19.5
111.04414	2.1
111.08082	8.8
113.09626	1.7
119.08578	9.5
121.06511	14.8
121.09325	2.1
121.10146	25.4
123.08076	16.8
123.11718	5.7
125.05994	4.8
125.09618	11.4
129.06973	1.6
131.08577	12.1
133.10136	25.7
135.08060	15.7
135.11693	4.7
137.09625	8.1
139.07593	6.4
139.11198	6.6
143.08537	1.5
145.10114	5.1
147.11731	6.3
149.05966	2.6
149.09625	61.7
149.13272	20.5
151.11197	35.7
153.07915	2.5
153.09111	32.7
158.10854	1.9
163.11151	2.3
163.14838	14.5
173.13283	21.7
177.05487	2.0
177.13873	1.1
181.08536	1.3
191.12675	2.4
191.14326	30.9
191.16077	1.7
209.08080	2.4
209.15373	58.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1537
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
55.01864	8.6
55.05505	15.1
57.03413	6.4
57.07055	3.6
58.68551	2.8
59.04980	3.8
67.05503	18.3
69.03426	10.2
69.07067	20.3
71.04992	15.3
71.16600	8.0
79.05486	20.7
81.07063	30.5
83.04974	22.9
83.08631	9.5
85.06534	14.1
87.11315	3.0
91.05486	19.1
93.07047	38.4
94.89528	3.3
95.04971	51.1
95.08613	33.0
97.06523	11.8
99.04448	12.1
99.08095	20.7
103.05488	4.6
105.07027	25.3
106.04210	4.9
107.04956	8.6
107.08593	72.6
109.06531	18.1
109.10149	27.3
111.04481	6.0
111.08061	10.2
119.08604	14.2
121.06512	22.7
121.10136	41.7
123.08076	21.4
123.11697	9.5
125.05971	8.4
125.09644	20.9
125.13292	3.6
127.07530	3.4
131.04880	3.7
131.08595	21.0
133.10117	30.9
135.08084	23.3
135.11688	10.6
137.09631	9.8
139.07555	6.1
139.11186	6.8
145.10120	8.0
147.11694	13.4
149.05988	10.3
149.09616	100.0
149.10757	5.7
149.13249	30.6
151.11198	47.3
153.09109	32.2
163.11150	3.9
163.14816	21.4
167.07024	5.3
173.13263	30.9
177.05457	6.7
179.12946	5.2
191.14317	48.4
203.37167	3.1
209.08124	5.4
209.10075	4.1
209.15353	74.8
224.30449	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	209.1536
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
53.03934	2.5
54.64043	1.7
55.01858	2.0
55.05515	34.5
57.07065	5.9
59.04992	5.2
61.48796	1.7
67.05505	10.5
68.99776	1.8
69.03427	20.6
69.07067	15.7
70.96493	4.1
71.04983	6.5
79.05489	7.0
81.07069	18.6
83.04984	43.1
83.08626	20.7
85.06535	8.2
91.05466	6.4
93.07049	17.8
95.04964	19.2
95.08611	24.4
97.06530	8.4
97.10172	17.6
99.04446	5.1
99.08093	16.9
105.07043	11.8
105.84103	1.8
107.08593	47.7
109.06522	15.4
109.10167	21.8
111.08067	13.0
113.06012	4.0
113.09637	1.9
119.08571	6.0
121.06469	3.3
121.10153	34.5
123.08065	6.8
123.11684	7.8
125.05980	6.4
125.09634	85.5
131.08554	6.6
133.10144	17.2
135.08076	13.6
135.11693	3.8
137.09596	5.2
139.07552	5.7
139.11162	5.1
145.10156	3.3
147.11693	7.2
149.09624	96.7
149.13260	22.1
151.11188	65.0
153.09099	22.4
154.09914	4.2
158.10837	1.9
163.14850	18.9
165.12776	3.9
167.10663	2.1
167.14313	20.1
173.13243	17.9
191.14308	42.2
209.15370	100.0
211.37816	1.7
223.64925	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1537
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
50.30758	2.3
53.03942	3.9
53.59112	1.4
53.62863	1.6
55.01867	7.1
55.05511	22.6
56.90185	1.5
57.03432	4.1
57.07059	5.5
59.04991	4.2
63.01246	1.6
63.81947	1.8
65.03928	3.9
67.05504	14.0
69.03434	15.6
69.07072	18.6
70.01433	1.8
70.56614	3.0
70.57014	3.4
71.04983	7.4
78.04675	2.1
79.05495	15.0
81.03418	3.9
81.07047	19.5
83.01347	2.2
83.04983	27.9
83.08629	15.1
85.02901	2.5
85.06542	7.8
90.55011	1.7
91.05488	16.0
93.03391	3.8
93.07050	33.6
95.04973	16.7
95.08621	26.5
97.02887	2.3
97.06551	9.3
97.10174	11.8
99.04468	3.4
99.08085	23.2
103.05466	7.0
105.07025	16.5
106.04194	11.3
107.04955	5.0
107.08602	50.3
109.06510	18.5
109.10147	20.8
111.04468	3.9
111.08090	9.9
113.05997	4.0
119.08581	7.1
121.06519	17.8
121.10148	38.7
121.10899	1.3
123.04486	2.9
123.08080	11.1
123.11697	9.8
124.08695	1.9
125.06005	10.3
125.09635	66.4
127.07555	2.4
131.08580	8.0
133.10123	19.7
135.08044	16.5
135.11703	8.5
137.06013	2.0
137.09596	10.5
139.07585	8.8
139.11159	5.8
141.09140	1.8
145.10144	7.2
147.11693	7.5
148.05183	4.9
149.06003	16.4
149.09625	100.0
149.13246	20.2
151.09984	2.9
151.11188	50.2
152.08189	4.3
153.09117	30.8
154.09828	2.4
158.10930	3.5
163.07541	4.7
163.11189	3.7
163.14830	18.9
165.12715	5.1
167.10794	1.8
167.14328	11.5
173.13272	16.6
177.05515	12.4
181.08629	3.8
191.07030	17.6
191.14316	42.9
194.05898	1.6
209.08057	5.5
209.10258	7.9
209.15381	88.3
209.17122	3.3
225.67752	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1034
Annotation	Unknow
Peak:m/z	Relative Intensity
52.33669	0.3
53.03947	0.4
55.01876	2.0
55.05515	3.0
56.05030	0.7
56.96581	0.5
57.03439	0.7
57.07080	0.5
57.20619	0.3
59.04985	0.5
67.05500	2.6
68.99799	0.4
69.03420	1.8
69.07071	1.8
69.54412	0.9
69.54839	1.1
70.03814	0.3
70.06615	0.4
71.04993	2.2
72.08205	0.3
79.05488	2.4
81.03423	0.5
81.07051	3.0
83.01344	0.3
83.04997	3.0
83.06106	8.9
83.06611	0.4
83.08612	1.6
85.02908	1.2
85.06539	0.8
91.05474	2.6
93.03437	0.4
93.07054	4.0
93.74491	0.3
94.06567	0.8
95.04970	11.5
95.08611	1.6
97.06533	0.9
97.10181	0.4
97.93809	0.3
98.20776	0.6
99.04446	2.4
99.08086	0.9
103.05476	1.0
105.07018	2.2
107.04955	1.3
107.08585	4.5
109.06519	3.1
109.10171	2.8
111.04488	0.5
111.05546	0.4
111.08096	1.3
111.09224	0.5
117.06997	0.7
118.07352	0.7
119.08601	1.1
121.02952	0.4
121.06557	2.5
121.10156	3.2
122.06831	0.3
123.04427	0.5
123.08076	1.1
123.11732	0.6
124.08718	16.2
125.05940	0.5
125.07076	0.3
125.09621	2.4
127.07539	0.4
131.04950	0.6
131.08577	2.9
133.10152	2.1
135.04451	0.4
135.08098	1.9
135.11688	0.9
136.08389	0.4
137.05888	1.2
137.09579	0.7
143.08554	0.4
145.02893	0.4
145.10112	1.6
147.11691	0.5
149.05991	2.1
149.09612	4.6
149.13324	1.1
150.05399	0.4
150.26794	0.3
151.03896	0.4
151.11172	2.7
152.08197	49.3
153.09132	3.8
161.46716	0.3
163.03967	0.5
163.07574	0.9
163.11191	1.3
163.14822	0.8
164.07904	1.4
165.09134	0.6
166.03712	0.5
167.07065	0.4
167.10567	0.5
167.14346	2.1
168.07635	0.3
168.53847	0.3
173.13229	1.8
174.06346	0.9
175.04218	0.9
177.05475	1.8
177.54494	0.6
181.04962	0.3
186.55009	1.3
191.07001	1.1
191.08911	1.3
191.10646	1.2
191.14272	2.8
192.07381	7.5
209.10323	100.0
209.15340	7.6
210.11223	1.5
227.02177	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.0922
Annotation	D-Kynurenine
Peak:m/z	Relative Intensity
53.03949	2.3
54.58574	1.0
55.01881	11.1
55.05514	5.9
56.96566	14.4
57.03426	3.0
57.07087	2.4
59.04999	1.9
60.08850	1.1
65.03944	2.7
67.05509	8.9
68.98282	1.2
69.03430	6.6
69.07069	5.2
69.83117	1.2
70.06606	5.9
70.15084	5.0
71.02761	1.2
71.05002	3.3
72.08163	3.5
73.02917	1.5
73.60706	1.1
74.02442	22.8
74.97646	1.1
75.04430	1.3
79.05503	6.8
81.03432	1.6
81.07066	7.6
82.94849	1.5
83.04988	7.0
83.06104	1.5
83.08601	2.5
84.04511	2.6
84.08165	2.8
85.02921	3.7
85.06527	1.9
86.09698	2.4
87.04478	5.1
88.03997	3.2
89.03932	5.1
89.06010	2.6
91.05486	12.4
93.03461	1.3
93.07048	10.5
94.06574	100.0
95.04979	11.4
95.08605	9.5
97.02894	2.0
97.06537	3.4
98.21452	2.0
98.73067	1.1
98.97585	10.3
99.00813	12.4
99.08115	2.0
103.03947	6.0
103.05479	7.6
104.05001	7.1
105.07059	4.2
107.04971	12.1
107.08604	8.7
109.02915	1.7
109.06516	9.7
109.10166	4.0
110.97595	1.4
111.04441	2.5
111.08104	2.5
116.98650	4.2
117.03412	3.5
117.07011	1.7
118.06554	29.3
119.01830	3.5
119.04967	1.9
119.08566	3.3
120.04485	34.8
121.02905	3.6
121.06502	12.4
121.10166	4.3
122.06053	2.2
123.08082	1.7
124.08723	1.8
125.06010	1.4
125.09646	4.8
128.01358	2.0
128.02312	4.7
131.04915	8.0
131.08548	2.1
132.04451	13.5
133.02840	1.9
133.10136	3.5
134.03604	2.5
135.04442	7.3
135.08063	5.4
135.11690	2.3
136.07587	36.7
139.07556	2.8
143.00238	1.5
144.98143	1.5
145.02751	2.9
145.03555	2.0
145.10149	2.5
146.06021	76.6
147.03130	1.4
147.04362	3.3
147.11772	1.5
149.02307	1.5
149.05983	8.2
149.09651	7.7
149.13219	3.1
150.05519	26.7
151.11205	5.6
152.08220	7.7
153.05481	2.5
153.09125	3.9
158.99644	4.2
159.04373	2.0
162.99223	2.7
163.02704	2.1
163.03906	19.4
163.07506	3.0
163.08522	6.1
163.09856	1.9
163.11163	3.1
164.07086	7.6
164.10760	6.8
166.00830	3.8
167.14360	1.7
167.96516	1.4
169.03468	3.3
173.13242	3.5
174.04146	2.4
174.05530	26.4
177.00713	3.0
177.05484	15.7
185.03012	1.5
185.97559	2.4
187.02861	1.6
187.04559	3.5
188.05125	2.3
191.06969	6.5
191.10657	2.1
191.14331	9.4
192.06554	50.2
194.00360	15.9
197.05765	2.3
209.02702	17.7
209.04520	6.3
209.08113	8.6
209.10550	10.6
209.13092	5.3
209.15408	16.6
215.04179	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1381
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
53.03710	0.9
53.03942	6.5
55.01852	3.5
55.05513	12.6
56.96563	6.4
57.03422	2.5
57.07062	2.3
65.03918	2.2
67.05506	31.8
69.03426	8.0
69.07069	10.4
71.04974	3.7
71.52201	0.8
71.52876	1.0
73.06553	1.6
77.03923	1.0
77.22010	0.9
79.05495	48.1
80.87183	0.9
81.03437	4.0
81.07058	24.4
83.04568	0.9
83.04986	9.1
83.08590	3.5
85.02874	2.5
85.06527	2.8
91.04902	1.7
91.05482	50.2
93.07046	100.0
95.04967	13.8
95.08613	10.1
95.53923	0.8
97.06493	3.0
97.10186	2.3
99.04425	2.9
101.68053	1.1
103.05431	0.9
105.04518	4.5
105.07035	32.1
107.04969	2.1
107.08598	12.3
109.06525	5.9
109.10151	2.2
111.04427	3.6
111.08064	1.4
115.96449	1.8
117.07042	5.5
119.04958	1.8
119.08585	17.4
120.06084	1.0
121.04955	1.0
121.06523	2.1
121.10121	3.5
123.08086	6.2
127.07552	1.0
128.06245	1.1
128.97818	1.2
129.05476	2.2
129.07005	11.1
131.08542	2.6
133.06442	2.1
133.09294	0.7
133.10155	6.6
135.07982	1.0
135.11668	1.9
137.09567	2.5
138.53491	1.0
143.00165	0.9
143.08627	5.6
145.10123	10.7
147.06490	1.5
147.08028	3.7
147.11690	49.2
149.09563	2.5
151.02438	1.1
151.07516	1.2
151.99449	0.9
159.11694	1.4
161.01216	1.1
161.02946	2.0
161.05968	1.7
161.09644	5.3
161.13274	11.3
166.09116	1.6
168.02597	1.3
169.03452	2.3
171.11690	20.3
175.08620	2.5
175.09892	1.4
179.14336	1.0
183.08708	1.0
184.04585	1.4
184.09270	5.3
189.05441	1.1
189.07521	1.4
189.12750	13.2
189.16348	1.2
192.09375	1.6
193.09866	1.8
195.60039	1.3
201.09642	1.1
207.06479	3.8
207.09918	1.4
207.11740	2.9
207.13773	34.9
207.17250	1.9
225.09671	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	207.1744
Annotation	beta-Irone
Peak:m/z	Relative Intensity
52.88129	0.9
53.03947	1.2
55.01854	1.4
55.05507	6.1
56.88997	0.9
57.03420	3.6
57.07057	2.7
67.05511	8.2
69.03429	5.4
69.07064	8.8
70.64768	3.1
79.05486	9.8
81.07052	16.4
83.04971	6.0
83.08603	2.8
85.02890	1.6
85.06552	5.9
91.05480	11.9
93.06487	1.9
93.07046	30.3
95.08605	20.4
97.06517	1.7
99.04421	1.4
105.07030	21.6
105.91878	1.0
107.08599	51.9
109.06499	4.1
109.10148	12.0
111.04463	2.6
111.08068	2.2
117.07025	1.1
119.04988	1.3
119.07722	1.7
119.08582	34.7
121.10156	10.1
123.08062	5.1
123.11703	7.9
129.05473	3.3
131.08531	2.8
133.10138	42.9
135.11696	100.0
136.12036	1.1
137.09625	6.8
137.13188	1.9
143.03642	1.3
145.10120	3.5
146.10857	1.2
147.11688	30.3
147.12810	2.2
149.13258	9.1
151.02844	1.1
151.11183	15.6
160.12479	1.9
161.13257	8.0
163.14832	15.9
165.12781	2.3
165.16357	1.3
175.59541	1.1
184.00278	1.2
189.16383	94.8
207.17445	68.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1744
Annotation	beta-Irone
Peak:m/z	Relative Intensity
50.16293	1.4
51.62247	1.3
53.03938	6.0
55.01865	3.1
55.05512	18.6
56.96346	1.5
56.96565	17.3
57.03421	6.0
57.07059	6.3
59.04988	1.7
61.02939	1.9
67.05507	19.5
69.03433	19.4
69.07065	16.6
71.04981	5.9
71.52956	2.9
77.00896	3.1
79.05485	23.0
81.03403	5.4
81.07061	27.5
83.04977	13.3
83.08630	7.6
85.02907	4.5
85.06554	7.3
87.04429	1.9
89.92015	1.7
91.04905	1.7
91.05483	29.2
93.07043	58.7
95.04972	10.5
95.08614	33.4
97.06511	3.8
99.04427	6.1
105.04498	1.7
105.07027	42.7
107.04968	3.3
107.08592	71.2
109.06505	6.3
109.10154	16.6
109.38369	1.6
111.04395	4.8
111.08062	2.2
115.96461	3.0
117.05553	1.7
117.06999	4.2
118.04440	1.8
119.04931	4.2
119.08578	52.8
121.06457	2.6
121.10142	18.4
121.11452	1.5
123.08077	11.6
123.11707	7.3
125.09651	2.3
126.05992	5.4
128.97835	1.7
129.05502	7.5
129.06982	5.3
131.08560	6.6
133.06496	3.4
133.10138	52.7
135.08000	1.5
135.11694	100.0
136.07297	2.0
137.06038	1.5
137.09630	10.0
140.48592	1.7
143.00017	1.4
143.05496	1.6
143.08575	3.4
145.06772	6.1
145.10103	7.1
147.04424	3.6
147.08089	4.3
147.10503	2.7
147.11684	54.5
147.58144	1.7
149.09621	6.2
149.13248	11.0
151.07527	5.3
151.11165	14.3
154.07349	3.3
157.08583	5.2
160.12387	2.2
161.01183	4.1
161.05959	3.0
161.09634	4.7
161.13261	12.8
163.11211	2.6
163.14803	13.9
165.07669	1.8
165.09026	2.1
165.12691	4.8
166.09163	22.7
166.59215	3.6
168.59323	2.5
171.11670	6.1
174.10371	1.5
175.03960	2.6
175.09775	14.4
176.08374	1.6
177.59969	7.8
183.08636	2.2
184.04684	1.9
184.10175	6.3
186.60442	8.5
189.05539	2.7
189.07574	3.2
189.12816	8.3
189.16383	94.2
192.09364	2.3
192.82396	1.5
193.09784	1.9
195.60048	1.8
198.11304	2.6
207.02747	2.0
207.06552	8.7
207.09976	2.2
207.11803	4.0
207.13797	40.5
207.17436	64.4
228.28043	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1381
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
53.03953	1.5
55.01900	1.0
55.05505	4.3
57.03456	1.2
57.07077	1.1
59.05010	2.7
65.03941	2.8
67.05504	10.3
69.03426	6.1
69.07077	2.2
69.22757	7.4
71.04995	3.4
79.05484	4.3
81.03416	1.4
81.07047	6.3
83.04992	4.1
84.45300	0.8
85.02874	1.0
85.06543	4.8
90.88462	0.8
91.05482	26.8
93.07044	10.5
95.04967	2.4
95.08612	41.9
99.04456	1.1
103.05472	2.5
105.03443	1.1
105.07027	16.6
105.07687	1.2
107.04932	1.8
107.08600	14.4
109.06506	6.3
109.10168	1.8
111.08081	1.4
113.06011	1.4
115.05489	1.1
116.06248	0.9
117.07026	1.6
118.04171	1.8
119.04946	23.3
119.08584	16.9
119.72582	0.7
121.06493	5.5
121.10139	11.5
123.04428	2.0
123.08075	28.6
123.11665	3.9
128.06218	1.3
129.03403	1.1
129.05478	1.1
131.04926	1.3
131.08598	2.8
132.02101	1.4
133.02861	0.8
133.06499	7.6
133.10152	3.7
135.04388	0.8
135.08029	1.6
135.11719	1.9
136.05208	2.2
137.06042	0.8
137.09637	5.1
143.08572	1.8
145.02826	1.4
145.06488	1.0
145.10147	2.9
146.03612	2.1
147.04422	15.8
147.08038	6.2
147.11693	11.3
149.02347	5.2
149.09624	100.0
151.07578	6.4
151.14842	1.6
156.09328	4.2
157.03992	2.0
159.11641	1.5
160.01479	0.8
160.05153	1.1
161.05978	10.4
161.09686	1.4
161.13255	13.8
163.03957	1.4
163.07559	1.0
163.11273	1.3
164.04712	6.5
165.09137	2.2
165.12756	8.1
165.96553	1.0
171.11674	7.3
174.03160	1.8
174.10405	2.7
175.03915	19.3
175.07513	2.2
176.08318	24.8
177.05405	1.7
177.09059	1.2
179.07028	6.0
179.14319	1.3
189.12755	26.4
189.16402	1.0
192.04237	5.3
192.07828	2.6
207.06541	23.2
207.10242	12.0
207.13802	63.1
208.16988	1.6
227.08981	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1381
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
50.15429	2.7
53.03944	2.9
55.01870	2.8
55.05512	19.2
57.03426	7.9
57.07064	2.8
59.05011	10.6
60.44164	2.0
63.92682	2.2
65.03928	3.8
67.05503	23.7
69.03439	15.9
69.07064	9.6
69.60583	11.9
69.60974	4.4
71.04985	7.1
79.05486	16.1
81.03407	3.9
81.07053	19.8
83.04964	11.1
83.08624	2.4
85.06547	3.9
91.05488	35.6
91.11146	2.0
91.72517	2.5
93.07043	22.4
95.04965	13.1
95.08614	32.1
97.06502	6.2
98.21460	5.0
105.03392	3.0
105.07035	68.3
107.04975	5.5
107.08604	48.9
109.06531	39.9
109.10156	22.2
111.04446	3.0
111.08087	7.4
117.07033	6.3
119.04952	10.4
119.08591	80.8
121.06534	11.8
121.08453	6.0
121.10145	22.3
122.07257	5.4
123.07214	3.7
123.08084	72.4
123.11736	6.4
125.09670	3.4
129.06981	2.7
131.08582	7.9
133.06502	6.0
133.10133	25.5
135.08070	31.3
135.11688	9.6
137.09625	100.0
137.13254	3.8
139.07564	6.3
143.08604	4.7
145.10095	7.9
146.10841	2.5
147.04398	7.0
147.08051	16.9
147.11694	62.1
149.09633	38.7
149.13255	2.6
151.07561	8.2
151.11166	3.1
153.09180	12.5
156.09344	8.4
159.11726	4.3
160.08842	3.3
160.27126	2.2
161.05995	2.7
161.09595	6.0
161.13268	49.1
163.11169	6.2
165.09123	4.4
165.12779	7.5
171.11699	13.1
174.10371	6.9
175.03918	8.0
177.12744	7.1
179.14272	6.4
189.09143	4.0
189.12747	46.7
207.06528	7.0
207.08519	2.6
207.10468	2.6
207.13817	74.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1381
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
50.85199	0.5
53.03952	0.6
55.01877	1.8
55.05515	6.5
56.96584	2.6
57.03453	0.9
57.07079	4.4
59.05009	1.8
64.25524	0.6
65.03939	1.4
67.05510	26.2
69.03441	4.5
69.07086	3.3
71.04619	0.9
71.04990	2.5
79.05476	4.2
81.03434	0.9
81.07064	6.7
83.04984	3.2
83.08622	0.7
85.06549	11.3
91.05484	13.8
93.07052	13.0
95.04961	3.4
95.08612	100.0
96.08961	0.7
97.06546	1.5
99.04444	1.0
103.05460	1.2
105.07037	16.0
107.04955	1.3
107.08601	20.3
109.06527	4.8
109.10150	2.6
111.04454	0.5
111.08097	1.2
113.06003	6.6
115.05456	1.5
116.06351	0.5
117.07060	1.3
119.04953	9.1
119.08587	22.6
119.55270	0.5
120.09369	1.1
121.06502	4.6
121.08432	0.6
121.10153	15.1
123.04452	9.9
123.08074	49.2
123.11703	5.0
124.04762	0.9
125.09666	1.2
129.05551	0.5
129.06932	0.9
131.04907	0.7
131.08594	4.7
132.02058	0.9
133.06503	2.3
133.10149	4.4
135.08049	1.1
135.11702	6.0
137.09636	5.1
137.13249	2.0
139.03856	1.6
139.07542	1.3
140.04248	1.6
143.04942	1.3
143.08572	1.2
145.06496	0.8
145.10153	2.0
147.04413	6.6
147.08069	5.2
147.11696	12.7
149.09627	55.5
151.03923	2.4
151.07526	2.8
151.14845	3.9
152.04266	1.1
153.09142	0.6
156.09357	2.0
159.08115	1.6
160.08972	0.6
161.04936	0.6
161.06029	5.0
161.09631	2.1
161.12000	0.9
161.13275	15.0
163.11168	2.4
165.09097	2.6
165.12766	10.5
171.11694	3.6
174.02827	0.8
174.10432	3.4
174.52740	2.0
175.03914	7.5
177.05580	0.6
179.00156	0.8
179.07005	1.9
179.14322	2.6
180.00546	0.8
183.53261	1.8
189.05496	1.0
189.09073	1.2
189.12746	20.7
191.07037	1.5
192.04198	0.7
193.03830	0.7
197.01239	1.5
198.01573	1.0
199.96350	0.5
207.06523	5.3
207.13805	36.2
208.09752	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.138
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
51.02364	0.9
52.42414	0.7
53.03951	8.6
55.05516	8.7
55.46217	0.9
57.53348	0.8
60.27303	0.8
65.03932	1.5
67.05508	29.3
69.07067	5.3
70.09898	1.4
70.10297	2.1
71.04979	1.5
73.06534	1.2
77.03912	2.1
79.05497	56.7
81.03404	2.3
81.07059	22.4
83.04991	3.8
83.08623	3.8
85.06542	3.0
91.05486	43.1
93.07049	100.0
95.04967	12.4
95.08615	11.1
97.06511	2.4
97.10143	1.7
105.04521	3.9
105.07042	26.5
107.04954	1.6
107.08600	11.1
109.06535	4.4
109.10177	2.0
117.07028	5.3
119.08583	13.6
121.06505	1.7
121.10147	1.9
123.08042	3.5
127.07626	1.6
128.06245	1.8
129.07019	11.4
131.08490	1.0
133.10159	5.3
141.50563	0.8
143.08607	4.7
145.10120	7.8
147.08022	1.5
147.11694	55.1
161.09659	4.4
161.13263	9.2
171.11694	25.4
189.12747	11.7
207.13806	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	207.138
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
51.02386	1.1
53.03949	6.7
55.01868	1.2
55.05515	5.6
57.03439	1.0
57.81825	0.3
65.03935	0.9
67.05508	21.7
69.03439	0.9
69.07070	4.4
70.00433	1.7
71.05000	2.0
73.06574	0.5
77.03929	2.0
78.11974	0.3
79.05496	40.7
81.03426	1.4
81.07060	18.3
83.04991	1.8
83.08615	2.8
85.02937	0.5
85.06551	2.6
91.05483	46.4
91.82761	0.4
93.07047	100.0
94.07394	0.4
95.04973	10.0
95.08002	0.4
95.08602	7.0
97.06530	1.3
97.10178	0.5
97.35788	0.3
98.20808	0.4
99.08105	0.4
103.05510	0.5
105.04541	3.1
105.07037	20.6
107.04971	0.5
107.08591	8.3
109.06524	3.6
109.10159	0.6
111.08105	0.7
117.07011	3.2
119.04894	0.4
119.08588	10.9
121.06490	2.0
121.10148	1.6
123.08075	2.5
125.06036	0.6
125.09664	0.4
127.07558	1.3
128.06253	0.8
129.05505	0.7
129.07013	8.5
130.07800	0.4
131.08577	1.1
132.50906	0.4
133.06494	0.5
133.10132	4.5
135.11681	0.4
141.09155	0.4
143.08560	4.4
144.80287	0.4
145.10129	7.0
147.04362	0.6
147.08049	1.5
147.11693	44.3
149.09633	0.5
149.13290	0.5
151.07547	0.6
156.09399	0.6
159.11696	0.4
161.09636	3.4
161.13271	7.6
163.11186	0.7
165.09082	0.4
171.11693	19.9
189.12733	10.5
189.14429	0.5
197.92683	0.4
207.06522	1.1
207.13802	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	207.1381
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
53.03938	4.8
53.06224	2.6
55.05508	17.5
56.96542	2.9
57.03438	4.7
57.07079	4.1
59.04987	8.8
65.03942	8.9
67.05512	23.3
69.03426	22.2
69.07059	11.1
71.03610	3.5
71.04981	7.1
79.05492	19.4
81.03403	4.9
81.07059	22.7
83.04985	12.1
85.02885	8.1
85.06522	2.7
89.03913	3.7
91.05486	100.0
93.07051	26.6
95.04964	11.6
95.08618	33.2
97.06531	7.9
103.05438	3.8
103.72543	2.3
105.07043	58.1
107.04939	9.6
107.08595	48.0
109.06516	31.8
109.10162	21.3
111.04433	3.9
111.08089	6.9
117.07016	5.5
118.04182	4.3
119.04124	3.7
119.04954	74.6
119.08586	79.8
120.69860	2.1
121.06493	10.3
121.08460	2.9
121.10161	26.4
122.07281	3.9
123.04432	7.8
123.08068	64.8
123.11690	4.6
125.05956	2.2
125.09637	3.7
128.06252	4.4
129.06976	3.3
131.08549	8.8
132.02066	7.9
133.06473	9.5
133.10143	23.3
135.04388	3.1
135.08073	31.5
135.11673	6.0
137.09624	78.3
137.13268	3.5
139.07530	5.6
143.08568	8.2
145.06506	4.8
145.10126	9.9
146.03593	3.8
147.04427	59.7
147.08055	21.5
147.11697	61.3
149.02325	7.0
149.09628	41.6
151.07550	13.6
153.09120	11.4
156.09332	5.7
157.03951	7.5
157.13336	2.9
159.08005	5.4
159.11702	6.9
160.05185	6.5
160.08888	2.9
161.06049	13.2
161.09657	11.7
161.13263	51.6
163.11200	6.1
164.04695	2.9
165.12761	7.6
171.11690	14.5
174.10431	4.3
175.03918	85.8
175.73206	2.4
177.12727	7.0
179.07034	6.3
179.10699	4.1
179.14258	6.2
189.07561	3.2
189.09106	17.9
189.12747	44.8
192.04205	12.1
199.35077	2.2
207.06517	41.1
207.10028	5.5
207.13806	74.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1017
Annotation	p-Methoxycinnamic acid ethyl ester
Peak:m/z	Relative Intensity
51.02391	0.3
51.79016	0.3
55.01883	0.5
55.05505	0.7
56.96563	0.3
57.03426	0.3
57.07054	0.3
60.66408	0.2
65.03931	0.6
67.05494	0.6
69.03421	1.0
69.07057	0.4
69.43532	1.9
71.04981	0.5
74.53546	0.3
75.04472	0.4
78.04730	0.3
79.05493	1.2
81.03396	0.3
81.07063	0.6
83.04978	0.6
84.75028	0.3
85.02908	0.7
90.04634	0.2
91.05489	7.8
93.07073	1.6
93.07593	0.3
95.04959	0.3
95.08615	0.9
98.97602	1.0
99.04425	0.6
103.05476	1.5
104.06232	0.6
105.07034	4.1
107.04942	1.0
107.08599	1.4
109.06490	0.5
115.05478	2.8
115.96413	0.3
116.98672	0.3
117.07059	1.5
118.04164	0.9
119.04942	5.0
119.08604	1.8
121.06509	2.9
121.10138	0.6
123.04388	0.5
123.08064	1.2
129.03357	1.7
129.05421	0.3
130.04167	0.3
131.04938	3.5
132.01979	0.4
132.05727	3.1
133.06496	11.2
133.10083	0.7
135.04382	0.4
135.08070	0.7
136.05209	0.6
137.05943	0.5
137.09657	0.3
138.06779	0.4
139.07565	0.5
143.08502	0.4
144.05681	0.4
145.06488	2.8
145.10149	0.3
146.03616	0.4
146.07271	2.0
147.04427	5.1
147.08051	3.8
147.11670	1.0
148.08772	0.3
149.02333	0.6
149.05997	3.6
149.09665	1.5
151.07547	6.0
157.03998	0.6
158.99670	0.6
160.05238	2.0
161.05986	39.3
161.13237	1.0
162.06744	0.8
163.03877	0.6
163.07542	4.0
163.11191	0.3
164.04681	0.6
164.08334	0.9
165.09128	0.6
165.12714	0.5
171.11783	0.3
174.03174	0.4
174.06776	0.5
175.03937	5.2
175.07555	7.5
176.08328	100.0
177.05481	6.8
177.09084	6.2
179.07031	1.1
179.10716	1.9
189.05461	0.4
189.09045	0.5
189.12744	1.1
191.07028	0.8
192.04205	1.3
192.06001	0.4
192.07811	11.6
207.06541	4.3
207.10173	51.1
207.13724	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	207.1017
Annotation	p-Methoxycinnamic acid ethyl ester
Peak:m/z	Relative Intensity
53.03912	2.6
53.04139	0.6
55.01838	2.0
55.05511	4.1
56.96544	1.5
57.03405	1.8
57.07044	1.7
59.04989	1.3
61.02902	0.7
61.10859	0.6
64.03125	0.6
65.03944	5.8
67.05505	12.0
69.03432	5.8
69.07037	2.7
69.38058	0.8
69.38462	4.2
71.05006	4.1
73.02921	0.7
76.03123	1.1
77.03892	1.9
78.04691	0.7
79.05500	5.2
81.03374	2.9
81.03809	0.6
81.07048	5.0
83.04985	7.2
83.08647	0.6
85.02872	2.9
85.06525	3.1
86.99746	0.6
89.03883	2.4
90.04673	0.9
91.05482	52.5
93.07043	9.5
95.04954	4.7
95.08609	30.8
97.06513	1.2
98.21529	1.2
98.97575	1.0
99.04447	1.5
100.11202	0.8
103.05460	3.7
104.06179	0.7
105.03357	1.6
105.06420	1.0
105.07038	15.3
107.04963	3.0
107.08596	10.5
108.05726	1.3
109.06525	4.8
109.10134	2.0
110.49780	0.6
111.04391	1.9
111.08096	0.7
113.05951	0.8
115.05440	2.9
115.96465	0.6
117.03374	0.9
117.06991	2.5
118.04173	4.0
119.04943	50.7
119.07804	1.0
119.08575	13.3
121.02830	1.0
121.06488	5.2
121.10144	7.1
123.04372	2.3
123.08069	72.7
123.11675	2.4
129.03375	3.2
129.04250	0.6
129.05461	1.4
129.07016	1.2
131.04918	4.1
131.08601	3.2
132.02083	3.9
132.05675	2.7
133.06488	14.9
133.10130	4.1
135.04396	2.5
135.08073	3.0
135.11664	1.5
136.05167	2.0
137.05951	1.5
137.09612	6.2
137.13222	0.7
139.03854	0.7
139.07489	1.1
143.04869	1.2
143.05978	0.7
143.08556	1.7
145.02852	2.0
145.06520	2.9
145.10072	2.8
146.03606	3.9
146.07222	1.7
147.04413	40.0
147.08049	8.5
147.11668	9.1
149.02341	6.1
149.06018	3.9
149.09621	35.2
149.10596	0.6
150.03070	0.8
151.07538	12.3
156.09367	2.3
157.03954	4.4
159.08051	1.1
160.05223	2.5
161.05986	40.2
161.09624	3.1
161.13245	8.0
162.03119	0.6
162.06763	2.1
163.03880	1.9
163.07547	3.5
163.11189	2.1
164.04695	5.7
164.08353	1.1
165.05356	0.9
165.09128	2.2
165.12778	6.1
171.11681	3.4
173.11565	0.7
174.03168	4.3
174.06822	1.0
174.10390	1.8
175.03911	49.4
175.07480	7.5
176.08328	100.0
177.05470	7.4
177.09076	6.3
179.07045	6.3
179.10707	2.0
179.14311	1.3
184.04622	0.7
189.05440	0.8
189.09106	2.3
189.12753	16.1
189.16438	1.3
192.04181	9.7
192.07816	12.6
192.09435	1.2
207.03291	1.0
207.06549	40.6
207.10164	56.8
207.13779	42.4
207.17596	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1016
Annotation	p-Methoxycinnamic acid ethyl ester
Peak:m/z	Relative Intensity
51.02380	0.4
53.03949	0.6
55.01855	0.4
55.05508	0.5
65.03940	0.5
67.05515	0.5
69.03440	1.7
69.07063	0.5
69.31202	1.8
69.31610	0.6
71.04998	0.5
75.39233	0.3
77.03896	0.3
79.05481	0.9
81.03424	0.6
81.07067	1.3
83.04979	1.6
85.02885	0.8
85.06558	0.6
89.03915	0.3
91.05481	8.1
91.06020	0.6
93.07036	1.6
95.04976	0.8
95.08592	1.3
98.97581	0.7
99.04454	0.6
103.05466	1.3
104.06224	0.6
105.03383	0.3
105.07030	4.8
107.04951	1.1
107.08599	1.1
108.05746	0.6
109.06522	1.8
109.10114	0.6
115.05461	3.2
116.06210	0.5
117.03415	0.4
117.07027	1.9
118.04185	0.9
119.04951	4.9
119.08604	2.1
121.06519	3.3
121.10165	0.5
123.04436	0.5
123.08076	1.6
123.11713	0.4
128.58730	0.3
129.03372	1.8
131.04929	2.9
132.02086	0.4
132.05685	2.7
133.06494	11.0
133.10158	0.6
134.07265	0.5
135.04385	0.5
135.08026	0.6
136.05200	1.1
137.05963	0.5
137.09605	0.6
138.06752	0.9
139.07535	0.7
143.04958	0.4
143.06064	0.4
145.02788	0.4
145.06488	2.7
145.10147	0.5
146.07268	1.9
147.04422	3.6
147.08047	4.6
147.11667	1.0
148.05167	0.3
148.08844	0.4
149.02289	0.8
149.05975	3.4
149.09627	2.3
151.06430	0.5
151.07547	5.8
157.03981	0.4
158.99658	0.3
160.05208	2.4
161.05980	39.8
161.13231	0.7
162.06702	1.5
163.03886	0.5
163.07536	3.4
163.11134	0.5
163.40068	0.3
164.04701	1.0
164.08325	1.3
165.05244	0.3
165.09195	0.4
165.12758	0.9
171.11685	0.4
174.06793	0.4
175.03929	4.8
175.07545	7.0
176.08325	100.0
177.05479	6.9
177.09088	7.3
179.07008	1.4
179.10645	1.9
189.09100	0.6
189.12701	1.4
189.16310	0.3
191.07068	0.6
192.04213	0.9
192.07808	11.4
195.07767	0.8
199.46529	0.3
207.06540	4.0
207.10161	49.7
207.13774	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	206.1177
Annotation	Bellendine
Peak:m/z	Relative Intensity
56.96550	0.9
57.07076	0.3
67.05511	0.3
69.03427	0.7
69.95453	0.4
69.95850	0.6
70.06577	0.3
71.04980	0.3
72.08155	0.2
74.02077	0.2
79.05481	0.5
81.03403	0.6
81.07082	0.3
85.02921	0.3
91.05494	1.7
93.05772	0.4
93.07036	0.8
94.06554	0.2
94.07353	0.3
95.04932	0.4
97.02883	0.4
98.20861	0.5
98.97560	0.5
103.05500	0.3
105.07035	0.5
107.04881	0.3
107.08578	0.8
110.06077	0.2
112.06802	0.2
115.05405	0.4
116.05303	0.5
116.98653	0.3
117.05775	0.5
117.07030	0.8
118.06550	7.4
118.47137	0.2
119.04939	0.8
119.07340	4.7
120.08141	1.3
120.99571	0.3
121.06523	0.7
122.06849	1.0
124.07598	0.3
124.99085	0.2
130.06561	1.3
132.04430	0.4
132.08078	2.0
132.08922	0.3
133.08849	0.7
134.09660	27.4
135.04439	0.4
135.10025	0.2
139.03865	0.2
142.03546	0.3
142.06468	0.3
143.00150	0.4
144.08089	0.5
145.02866	0.3
145.08826	0.3
146.05992	1.1
146.09598	0.4
147.04399	1.0
149.02354	0.3
150.02666	1.2
151.03897	0.7
160.04689	0.4
160.07602	0.9
160.11145	2.3
161.01195	0.3
161.11955	1.4
163.03876	1.0
170.05992	0.5
174.03946	0.3
174.93185	0.3
178.04971	1.3
178.08623	0.5
182.99606	0.5
188.06987	1.5
188.10617	0.3
190.08638	5.8
191.09424	2.3
191.14301	0.7
197.01268	0.7
201.00729	0.4
206.11768	100.0
207.12125	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	206.0775
Annotation	Unknow
Peak:m/z	Relative Intensity
52.90876	1.2
53.03954	1.4
54.11150	1.1
55.01877	6.3
55.05519	7.8
56.05033	2.9
56.96302	2.6
56.96566	40.6
57.03439	15.5
57.07076	2.0
58.06588	2.0
59.05006	7.6
60.04516	4.3
61.02927	10.0
65.03924	2.1
67.05508	6.7
69.03088	1.7
69.03435	26.0
70.02969	8.5
70.03760	2.9
70.06577	4.0
71.01350	1.5
71.04996	27.0
71.51352	2.1
72.04521	28.9
72.08142	4.0
73.02924	27.8
73.06544	2.4
73.08496	2.6
74.02434	5.2
74.06093	2.1
75.04492	1.8
76.04018	1.2
79.05480	1.9
81.03424	14.4
81.07061	1.3
82.06584	1.7
82.99830	2.4
83.04977	7.2
84.04521	1.5
84.08141	6.4
84.96027	5.4
85.02905	20.7
85.06544	1.8
86.03216	3.3
86.03683	6.3
86.06074	2.2
86.09696	2.3
87.04473	8.6
88.03997	1.6
89.00802	2.4
89.03906	2.8
89.06036	16.0
90.05559	100.0
91.05466	1.9
93.03406	3.0
94.06548	1.6
95.04965	4.3
95.06118	3.8
96.01508	1.8
96.04532	1.2
97.02301	1.6
97.02895	21.9
98.02411	19.8
98.03215	4.8
98.06059	1.9
98.09702	2.3
98.97590	26.1
99.04456	13.9
99.97906	2.4
100.02579	3.1
100.03980	10.4
100.05246	9.2
101.00879	22.8
101.02435	1.6
102.00928	3.2
103.00623	3.0
103.02399	1.8
104.01305	2.2
107.04928	1.7
109.02853	8.5
110.01266	4.5
110.03159	1.4
110.06052	8.0
110.97581	4.8
111.02068	1.5
111.04436	3.6
112.05086	1.3
112.07575	1.4
112.99126	2.9
113.00832	2.2
113.06004	2.3
114.00947	2.3
114.02370	1.6
114.05521	2.6
114.09155	2.9
115.00672	1.9
115.02402	4.3
115.03928	3.5
116.03464	16.8
116.07090	3.7
116.98615	13.4
117.02156	1.8
117.03337	1.3
118.01093	1.6
118.03574	2.2
119.01909	70.5
120.01996	5.9
121.01624	6.7
121.02892	2.0
121.04276	2.1
121.06501	4.4
122.01997	1.8
122.06024	2.8
123.02078	2.5
123.04432	2.5
124.02477	6.7
124.07622	2.5
126.09154	1.9
127.03960	3.6
128.01385	2.6
128.02315	21.8
128.04176	2.4
128.06233	2.0
128.07089	26.4
128.10693	2.4
128.98602	4.9
129.02028	2.0
130.08630	3.6
131.00204	2.4
131.01875	7.5
132.02011	4.2
132.04366	2.1
133.01685	4.7
133.03462	3.3
134.99678	4.7
135.04422	5.2
136.06169	19.7
137.02934	18.1
137.05959	2.1
138.09184	1.3
139.02425	2.0
139.04004	2.7
140.07045	7.1
140.55064	1.6
142.03503	92.5
142.08607	3.5
143.00201	7.1
143.01851	6.8
143.03598	1.9
144.02563	2.7
144.10185	6.1
144.15871	1.4
144.98106	2.4
145.01642	2.6
145.02715	2.4
145.03619	1.5
146.08119	14.3
146.91843	1.7
146.99628	2.6
147.01457	1.5
147.03050	2.0
148.03841	6.1
148.39221	1.2
148.54050	11.7
149.02455	1.2
149.53706	1.3
150.02737	4.2
151.02673	1.7
152.05003	1.7
152.07053	3.2
154.03493	1.7
155.00150	2.6
155.01932	1.6
155.03680	5.7
156.02603	2.7
156.97493	3.1
157.01724	2.4
157.03418	5.3
158.99669	3.1
159.03139	1.8
160.04578	34.5
160.07632	2.3
160.09708	18.3
160.13310	6.5
161.01248	4.4
161.02956	15.6
162.03134	1.9
162.10248	2.1
162.99142	2.7
163.02701	2.5
163.03925	24.3
164.97273	1.4
164.98605	3.6
165.03081	2.8
165.05110	4.6
167.00085	1.6
169.03439	3.0
170.08134	20.7
170.11815	2.0
170.99709	2.7
173.01218	5.1
173.02769	2.8
173.04637	1.9
174.01973	1.8
174.03700	3.1
174.05472	1.7
174.98557	1.9
175.02728	4.1
175.04417	1.7
176.03278	1.6
177.00690	4.4
177.04146	1.7
178.04939	6.2
179.04033	2.3
179.99170	2.0
181.03503	1.7
181.05252	1.7
182.99693	17.0
183.01256	3.1
183.06259	2.3
184.04556	10.6
185.01192	4.3
187.02763	3.8
187.04405	1.6
188.03481	4.0
188.09178	77.5
189.00717	3.3
191.14302	2.1
194.05359	2.0
194.54857	2.5
195.08823	2.0
197.06584	3.6
201.00714	31.2
201.02466	5.6
201.04048	1.7
202.03062	1.9
202.05496	2.9
203.02258	2.4
203.04071	2.1
205.03474	1.4
205.55627	10.2
206.05298	6.1
206.07069	18.7
206.10237	38.0
206.11882	6.4
206.13780	3.0
206.15482	3.1
206.57123	1.5
209.03043	1.5
213.00667	1.6
215.04262	1.7
219.01791	9.0
220.02002	2.5
224.04079	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	206.0776
Annotation	Unknow
Peak:m/z	Relative Intensity
57.47097	0.9
69.78314	1.0
69.98508	4.1
76.71127	1.0
82.99837	5.5
100.02456	1.7
101.00888	42.2
102.00917	3.0
103.00643	5.8
103.01221	1.0
106.67620	0.9
119.01933	58.3
120.02018	5.8
121.01674	12.6
121.02447	1.3
123.02124	1.4
124.02462	13.5
137.02977	7.4
139.02684	1.7
142.03508	100.0
142.52721	1.3
143.01880	1.5
143.03589	7.9
144.03256	11.1
160.04573	19.1
161.03036	5.0
161.04745	1.3
165.05122	2.3
171.69669	1.0
177.00957	3.4
178.01105	1.4
179.00708	6.0
179.98656	3.0
180.00925	1.2
181.35449	1.1
182.48901	2.5
182.99648	2.1
183.01257	1.6
184.04562	3.8
188.99196	6.5
189.49174	2.7
191.49422	14.6
191.99551	4.9
192.49380	1.6
200.49974	28.8
200.99983	9.5
201.02463	4.0
201.49864	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	206.0449
Annotation	Xanthurenic acid
Peak:m/z	Relative Intensity
53.26004	0.2
56.96545	0.6
66.67334	0.2
68.01437	0.2
70.22924	0.3
70.23267	0.9
72.08133	0.4
86.25370	0.2
86.83930	0.2
89.84246	0.2
104.01671	0.2
104.04971	0.6
113.01709	1.0
114.02030	0.9
118.06518	0.3
131.96713	2.6
132.04457	21.0
132.97092	3.0
133.96419	1.7
160.03976	1.5
160.07613	0.4
163.03876	0.5
167.83502	0.3
177.07903	0.4
178.04999	100.0
179.05324	0.4
188.07129	0.4
206.04510	63.1
206.11845	1.0
207.02849	0.5
207.04807	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.1952
Annotation	(+)-Theonellin
Peak:m/z	Relative Intensity
53.03938	2.6
55.01870	1.3
55.05504	5.3
56.96571	5.9
57.03443	2.2
57.07081	8.9
60.04541	4.8
61.04843	1.4
65.03941	3.3
67.05508	7.7
69.03444	4.5
69.07072	9.7
71.04988	2.2
71.52065	1.1
72.08143	1.5
73.02887	1.5
78.95268	1.1
79.05493	9.4
81.03416	5.8
81.07060	43.9
83.08629	3.2
84.04536	1.0
85.02920	6.1
85.04888	1.0
89.03880	0.9
91.05464	6.1
93.07054	37.1
93.07643	2.0
95.04945	2.5
95.08613	16.8
97.02899	23.2
97.10194	2.3
99.04469	4.4
100.99155	1.3
103.05499	0.9
105.07043	6.7
107.08601	17.2
109.02873	19.4
109.06528	2.6
109.10162	15.4
117.07024	3.4
119.08574	3.2
121.02885	4.8
121.06512	3.9
121.10150	100.0
122.10486	1.2
123.08135	1.1
123.11742	5.4
127.03936	6.6
127.05885	1.9
131.04881	1.0
131.08580	2.3
135.08092	1.6
135.11676	11.9
139.03937	1.6
142.03517	1.0
145.02852	5.0
145.04970	1.4
145.10129	4.2
147.08063	1.0
147.11682	1.1
149.02350	47.4
149.05907	1.1
149.09645	1.7
149.13268	23.4
159.08156	1.6
159.11703	2.8
163.02759	2.3
163.11134	1.6
163.14801	2.5
177.12778	4.7
181.97867	2.0
187.07491	1.4
187.11154	2.3
187.14810	1.2
188.03543	0.9
190.05057	1.1
191.70830	0.9
205.04964	15.0
205.06775	1.5
205.08714	4.1
205.12267	8.5
205.14165	2.8
205.15779	4.8
205.19514	14.4
207.16249	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.1952
Annotation	(+)-Theonellin
Peak:m/z	Relative Intensity
53.03946	2.1
55.01860	0.9
55.05515	7.0
56.96568	7.6
57.03427	1.1
57.07079	6.5
59.62051	0.7
60.04536	1.1
65.03938	2.6
67.05510	7.9
69.03436	3.1
69.07059	6.5
71.05001	1.1
73.32241	0.6
77.68160	0.7
79.05493	8.7
81.03420	3.1
81.06585	1.3
81.07060	26.2
83.04984	0.7
83.08612	2.8
85.02917	3.5
87.04427	0.6
88.79321	0.6
91.05481	5.9
91.65555	0.6
93.06475	1.3
93.07042	18.5
95.04959	3.0
95.08612	13.8
97.02892	10.6
97.10184	1.6
99.04456	2.8
103.05482	0.7
105.07035	3.2
107.04948	2.1
107.08600	19.4
109.02876	7.1
109.06528	1.7
109.09469	1.0
109.10165	11.5
115.05454	1.9
117.07034	2.6
119.08607	2.3
121.02869	2.5
121.06522	1.8
121.10146	6.1
123.11713	100.0
126.05173	1.5
127.03961	3.0
127.05939	1.0
130.07784	0.8
131.08592	2.2
133.10129	0.8
135.04465	1.2
135.05681	1.0
135.08116	1.3
135.11700	49.7
145.02837	3.7
145.06506	2.6
145.10115	3.0
147.11732	1.8
149.02347	20.9
149.06024	1.4
149.13266	10.4
151.03917	1.2
159.08099	1.6
159.11699	2.6
163.03905	3.8
163.11139	1.2
163.14824	1.5
166.08357	1.3
173.05992	1.9
175.02713	0.9
175.08835	1.6
176.04648	0.7
177.05434	0.8
177.12753	2.6
184.09369	2.0
187.11183	1.2
187.14803	1.2
205.04988	7.8
205.06812	1.5
205.08551	4.7
205.12314	7.5
205.14185	1.6
205.15947	2.7
205.19540	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	205.1952
Annotation	(+)-Theonellin
Peak:m/z	Relative Intensity
52.44628	0.3
53.03939	0.7
55.01869	0.5
55.05518	3.2
56.96552	0.5
57.07077	9.6
60.04533	1.4
65.03614	0.4
65.03941	4.6
66.82939	0.3
67.05505	3.0
69.03423	1.0
69.07067	5.1
72.08166	0.3
79.05495	4.2
81.03416	1.3
81.07058	18.7
83.08625	2.3
84.04536	0.3
85.02901	1.2
91.05481	1.5
93.03406	1.1
93.07047	16.9
95.08604	9.2
97.02892	5.4
97.04807	0.3
97.10167	1.7
99.04429	1.4
105.07041	1.8
107.08592	10.9
108.04476	0.5
109.02863	3.9
109.10154	8.8
111.01959	0.4
111.04448	0.8
111.11695	0.5
111.51771	0.5
117.07024	0.4
119.01854	0.4
119.08580	0.7
121.02873	10.2
121.03983	2.7
121.06549	0.6
121.10145	41.1
122.52731	0.5
123.11707	4.7
127.03915	1.5
127.05844	0.7
131.08582	0.6
135.11702	6.8
137.13264	0.5
145.02850	0.8
145.05099	0.3
145.10054	0.6
147.11679	0.4
149.02344	100.0
149.13260	15.5
150.02599	0.6
152.05865	0.6
152.55743	0.4
163.02744	0.5
163.11163	0.4
163.14821	1.3
167.03401	0.9
177.12729	0.7
187.14830	0.5
190.05005	1.4
205.05038	2.3
205.06844	0.5
205.08881	1.2
205.12190	0.8
205.14154	0.6
205.15916	0.8
205.19518	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	205.0683
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01855	0.9
57.03430	4.0
61.02922	2.2
69.03421	4.3
70.06605	1.4
70.48382	2.2
70.48730	1.7
72.08142	2.8
73.02924	6.7
76.08297	0.8
81.03368	1.2
82.06568	2.3
84.08141	3.8
85.02913	4.9
86.03200	1.5
97.02897	4.8
99.04505	1.2
101.00874	3.2
103.00631	3.5
103.02307	1.3
109.53905	0.9
115.00628	1.1
118.79854	0.8
119.01916	2.7
121.01675	2.7
124.02808	2.1
127.03926	1.4
130.08636	1.3
131.01915	1.4
133.01648	2.0
133.03398	1.9
139.03326	2.5
141.10184	1.5
145.01617	5.0
145.03476	1.6
147.48317	0.9
148.03870	1.4
154.03833	1.0
157.01663	3.1
159.03209	0.9
163.02745	3.9
163.04555	1.2
168.36340	0.9
169.01558	1.1
175.02739	4.6
175.04349	1.0
175.11931	1.0
184.05101	1.1
187.02789	3.0
187.10844	1.1
193.05663	2.9
205.06871	100.0
205.15469	1.7
206.07191	2.0
223.05023	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	204.0868
Annotation	N2-Acetyl-L-aminoadipate
Peak:m/z	Relative Intensity
53.03954	1.1
54.06333	0.3
55.01878	1.0
55.05504	0.6
56.05021	1.8
57.03416	0.5
60.04528	9.6
60.56116	0.3
61.02929	4.1
68.05022	1.4
69.03436	3.6
70.06604	1.7
70.57155	0.6
70.57507	1.0
71.05004	0.8
72.04515	0.9
80.05044	1.9
80.05430	0.3
81.03419	5.1
82.02959	0.7
82.06583	0.8
83.01337	1.1
83.03736	0.4
83.04978	0.7
84.04508	44.6
85.02908	1.0
96.04498	21.2
97.02892	7.0
98.02458	0.4
98.06059	11.6
99.04438	2.2
100.03973	0.4
101.02428	0.5
105.06988	0.3
108.04498	0.9
109.02884	5.5
110.06081	0.7
114.05527	2.0
120.09000	0.5
122.06026	0.4
124.03961	1.1
126.05522	53.4
127.03901	2.7
138.05508	100.0
139.05902	0.4
144.06567	26.4
149.02391	0.7
162.07639	0.6
168.06566	14.7
186.07625	7.5
189.11523	0.3
204.08684	9.4
204.10141	0.5
204.13823	3.0
204.18192	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	204.0868
Annotation	N2-Acetyl-L-aminoadipate
Peak:m/z	Relative Intensity
50.62599	0.3
50.66219	0.3
53.03946	0.9
55.01868	1.0
55.05504	1.0
56.05043	2.5
59.25242	0.3
60.04527	12.9
61.02924	4.2
68.05029	2.5
69.03428	3.9
70.06583	1.7
71.04996	0.6
71.52948	0.4
72.04523	1.5
73.35617	0.4
80.05025	2.5
81.03419	4.3
81.07094	0.5
81.40865	0.3
82.02945	0.4
82.06592	1.0
83.01337	1.2
83.04996	0.6
84.04507	49.0
85.02914	1.5
86.06045	0.5
87.66164	0.3
91.05474	0.4
93.19154	0.3
95.08604	0.7
96.04494	21.7
96.08913	0.5
97.02286	0.7
97.02891	8.8
97.05295	0.4
98.02379	0.3
98.06055	12.5
99.04466	2.4
100.03982	0.7
101.02326	0.4
104.35777	0.4
105.07022	0.8
107.08576	0.4
108.04478	1.1
109.02882	7.4
110.06062	0.6
114.05536	3.1
116.07113	0.5
119.08595	0.6
120.08894	0.5
121.06525	0.6
124.03960	1.3
126.05521	60.4
127.03918	3.0
134.05986	0.4
134.10478	0.7
138.05505	100.0
139.05841	0.8
140.06992	0.4
144.06564	28.6
145.05061	0.3
148.12056	0.9
149.02368	0.8
156.06512	0.6
168.06563	13.6
186.07637	7.1
189.11464	0.6
204.08685	9.8
204.10211	0.5
204.13831	5.2
204.18222	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	204.0737
Annotation	Unknow
Peak:m/z	Relative Intensity
52.79526	1.4
53.03954	2.9
55.01860	4.4
55.05516	9.7
56.05039	4.7
56.96571	21.3
57.03440	14.4
59.05006	3.6
59.10679	1.4
60.04529	100.0
61.02934	9.2
62.68085	1.6
68.05023	10.4
69.03082	2.4
69.03436	34.7
69.07063	3.3
69.87235	1.5
70.02938	2.4
70.06594	7.6
71.01369	1.6
71.04999	7.2
71.06107	2.0
71.45959	1.9
72.04508	2.0
72.08151	11.8
73.02927	14.8
73.06558	4.5
73.08475	2.1
79.05508	2.7
80.05011	1.6
81.03429	8.1
81.07063	3.1
82.06583	6.4
83.04985	3.1
84.04509	31.4
84.08150	3.9
85.02911	44.2
86.06050	1.6
86.09714	17.5
87.04469	11.0
88.03997	19.4
90.94860	1.5
91.05493	5.9
94.06559	1.7
96.04501	20.6
96.08138	4.2
97.02898	63.7
97.06444	1.4
98.01273	1.4
98.06063	5.5
98.09666	2.4
98.97584	17.0
99.04458	5.9
99.10155	1.5
100.47495	1.7
101.00882	9.6
102.00951	1.6
102.02425	2.4
102.05545	2.4
102.96877	30.6
103.00651	2.2
109.02893	5.2
110.06072	7.3
110.97570	4.1
111.02942	2.9
113.00880	5.4
114.02406	1.8
114.05530	14.7
114.09181	26.4
115.03918	9.6
116.07111	2.9
116.98652	10.1
117.05468	2.4
117.27750	1.4
118.06517	2.4
119.01932	11.4
119.04929	10.1
120.02020	4.1
120.97916	23.0
121.01638	7.5
121.06522	4.2
121.96667	4.4
122.05953	2.1
123.02931	3.7
126.03523	1.6
126.05535	20.6
126.12869	1.4
127.03917	5.9
128.02332	3.2
128.98621	5.8
129.02979	1.8
129.04060	1.5
130.08714	2.9
131.01898	10.3
131.05592	3.7
132.02197	1.4
132.03412	3.1
132.05455	1.5
133.02554	1.7
133.03467	2.5
133.04985	3.5
134.08058	1.8
134.99643	2.5
136.11183	1.6
138.03413	5.6
138.05481	8.9
138.12794	1.8
138.98956	7.6
139.02716	2.2
140.07080	4.3
140.10744	3.5
140.14362	1.7
140.98657	1.5
142.08698	3.6
143.00175	4.2
143.01907	24.9
143.02924	2.7
144.02100	1.4
144.03343	4.8
144.06570	16.5
144.08170	1.7
145.03654	2.7
145.05005	4.5
146.06004	6.5
146.99648	1.9
147.04419	26.7
147.05783	18.2
148.04797	3.4
149.02364	3.4
149.06642	3.6
153.03943	3.5
155.01891	13.9
156.06487	2.8
157.03455	3.9
158.06067	2.0
158.08121	5.8
158.11771	4.2
158.12927	5.0
158.15402	3.8
158.56610	2.2
158.99655	3.0
159.03973	1.6
160.09705	69.1
161.01431	2.4
161.02956	29.7
162.03120	4.8
162.04404	2.1
162.07649	2.4
163.02751	5.2
163.03922	3.7
168.06546	7.8
168.13812	2.4
173.03008	16.8
173.06613	6.5
174.03117	2.4
175.02794	1.9
177.00720	3.0
179.02126	2.4
181.00121	1.6
181.03821	2.2
183.03152	5.6
183.04944	2.9
185.02994	6.7
185.06615	6.9
186.05629	2.0
186.07631	4.1
186.11302	5.2
188.07092	5.2
188.10678	2.4
189.11447	1.8
192.03864	2.8
192.05548	13.1
192.55598	1.9
201.00830	1.8
201.06133	1.9
203.04063	6.0
203.07732	2.3
204.07068	1.9
204.08678	31.7
204.10321	11.2
204.13737	27.3
204.15680	3.4
205.04974	4.6
205.06839	2.2
215.07671	7.4
219.01787	3.9
221.05009	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	204.065
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	1.5
56.01405	1.1
56.05027	1.2
56.96572	13.3
57.03421	3.3
57.07078	5.0
58.99591	1.1
60.04530	93.0
61.02921	2.1
63.32466	1.0
68.05028	7.4
69.03432	13.6
71.04989	3.5
72.04521	1.6
72.08141	3.3
73.02917	2.1
81.03407	2.3
81.07034	1.6
83.01318	1.4
83.04964	1.2
84.04504	10.4
84.08137	1.2
84.96028	3.0
85.02908	13.9
86.00654	10.3
87.04435	3.2
88.02223	9.6
90.96770	13.8
91.05473	4.3
93.06995	1.1
95.04982	1.0
96.04501	13.8
97.02901	24.5
97.03962	2.9
98.06035	1.5
98.97588	25.0
99.04446	3.6
102.03754	1.6
102.96872	10.1
103.05460	1.4
108.01569	1.2
109.02857	2.6
110.06038	3.1
110.97562	5.3
112.99134	1.5
113.01691	2.1
114.05540	10.5
114.39076	1.0
115.03923	3.5
116.97002	1.9
116.98624	11.1
117.05531	1.4
119.04941	6.2
120.97901	7.8
121.06522	8.9
121.96638	1.6
124.99072	2.0
125.01734	1.8
126.05524	12.5
127.03917	3.0
128.98605	5.0
131.00177	1.7
131.99391	22.8
134.02301	1.2
134.09637	3.3
134.99641	1.9
138.05475	3.6
138.98921	4.8
140.98531	1.5
141.01021	1.1
143.00127	5.0
143.99376	74.2
144.06573	4.1
144.99960	1.4
145.02870	1.3
145.04971	4.1
146.02335	1.4
146.99670	3.2
147.03235	1.6
147.04411	27.7
148.04732	2.8
149.01262	1.7
149.02351	4.1
152.98624	1.1
156.06551	1.7
158.06033	2.0
158.99684	2.4
161.01245	4.3
168.06558	2.9
170.99641	3.7
171.97595	9.6
177.00742	2.9
183.03119	5.5
186.07622	2.4
186.99960	100.0
188.10715	1.5
189.00702	4.1
189.11520	2.9
191.06200	1.0
192.03725	2.6
192.53839	1.6
195.08795	6.4
201.00673	3.1
203.57672	1.7
204.02615	87.6
204.06688	4.3
204.08669	21.6
204.10313	4.3
204.13829	25.6
205.03116	1.2
205.05017	2.4
213.06995	1.7
219.01758	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	203.1794
Annotation	Tenuifolene
Peak:m/z	Relative Intensity
55.05506	5.1
60.04517	2.0
67.05511	13.0
68.72280	0.7
69.07070	5.9
69.45502	4.9
79.05504	4.8
80.88957	0.8
81.07055	24.5
83.08640	3.5
91.05476	7.4
93.07047	10.3
95.04979	1.4
95.08611	56.3
105.07040	27.2
107.08595	11.8
109.06543	2.3
109.10161	29.3
115.05449	0.8
117.07015	1.4
119.08592	30.0
120.55775	0.8
121.10152	14.3
122.45642	0.7
123.11716	12.2
129.07022	1.8
131.08594	2.6
133.10136	21.8
135.11707	2.8
143.08604	0.8
145.10133	4.6
147.04395	1.5
147.08026	1.9
147.11694	41.1
157.10088	1.4
159.11682	2.4
160.12483	1.9
161.05968	2.2
161.13260	10.1
173.13295	1.5
175.07590	1.6
175.14854	2.9
185.09636	0.9
185.13176	1.3
188.15631	1.4
203.03421	1.1
203.07037	2.7
203.10664	3.0
203.14314	3.8
203.17963	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1795
Annotation	Eremophila-1(10),8,11-triene
Peak:m/z	Relative Intensity
55.05515	9.7
57.07066	1.8
60.04519	3.2
66.80042	1.2
67.05508	9.5
69.07071	10.7
71.52565	2.4
79.05487	5.2
81.07063	15.3
83.08605	4.6
84.04506	3.2
87.54877	1.2
91.05480	9.7
93.07061	11.6
95.08614	43.0
100.02549	1.4
105.07034	35.6
107.08604	27.1
109.10161	23.2
117.07047	2.4
119.08584	54.9
121.10165	15.1
122.60159	1.3
123.11716	3.3
126.05534	3.4
128.38527	1.4
129.80731	1.2
131.08568	3.3
133.10136	60.9
135.11711	5.0
143.08449	2.0
145.10107	6.4
145.53017	1.4
147.11696	43.6
159.11714	6.1
160.12556	1.4
161.09697	1.6
161.13272	22.9
161.66824	1.3
173.13242	1.4
174.14154	3.4
175.14807	6.6
203.05299	2.1
203.06934	2.4
203.14413	4.5
203.17969	100.0
204.08647	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	203.1796
Annotation	Tenuifolene
Peak:m/z	Relative Intensity
50.90056	0.9
55.05503	3.5
57.07066	0.9
59.41590	0.8
60.04510	2.5
60.34986	0.8
61.45782	0.9
67.05512	14.1
69.07073	7.0
69.07394	1.3
70.18391	2.1
79.05494	5.0
81.07059	21.8
83.08603	1.0
84.04509	2.2
91.05480	8.3
93.07050	17.3
95.04965	1.0
95.08613	51.5
95.99709	0.9
96.04464	1.0
100.02477	1.5
102.42097	0.8
105.07038	33.5
107.08603	26.6
109.10160	31.8
111.11693	1.1
111.71797	0.9
114.05537	1.2
118.03533	1.1
119.08585	27.4
121.10150	13.4
123.11724	7.2
126.05556	1.9
129.07086	1.0
133.10135	27.4
135.11687	2.8
143.08539	1.1
145.10114	2.1
145.73074	0.8
147.07997	1.2
147.11697	37.5
157.10077	0.9
159.11687	1.1
161.09622	1.8
161.13269	16.1
164.07082	0.9
175.14847	10.6
197.99188	1.9
202.44051	0.9
203.05342	1.1
203.07005	2.0
203.10701	2.2
203.14246	4.5
203.17966	100.0
204.13893	2.0
204.18240	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1796
Annotation	Tenuifolene
Peak:m/z	Relative Intensity
51.26320	1.0
55.05508	8.3
55.89656	1.3
56.96579	12.3
57.07069	5.4
60.04532	8.2
62.49906	1.2
67.05505	12.5
69.07071	13.5
69.83761	2.4
69.84153	3.8
72.35379	1.2
79.05497	8.8
81.06593	1.6
81.07061	30.4
82.01462	2.4
83.08611	4.3
84.04504	3.4
91.05475	17.6
93.07057	15.7
95.08609	40.5
95.36443	1.3
96.04506	2.7
97.02895	2.7
97.10133	1.3
100.02483	6.1
102.57862	1.2
105.07036	100.0
107.08585	20.5
109.10158	31.9
114.05554	1.8
117.07014	2.4
118.03477	2.3
119.08585	51.5
120.96464	2.0
121.10146	16.3
123.11752	6.5
126.05498	4.7
129.07031	1.7
131.08574	4.3
133.10138	46.0
135.11711	3.3
143.08559	1.5
145.10162	7.1
147.11696	77.3
157.10110	1.4
159.11736	4.4
160.12489	2.6
161.09666	2.1
161.13269	26.4
175.11211	1.3
175.14854	10.8
179.98039	1.8
185.13126	1.7
195.03354	1.5
197.99194	5.4
203.05328	2.9
203.07132	5.2
203.10638	3.6
203.14215	9.1
203.17969	97.0
204.08617	2.6
204.13849	2.3
204.18167	1.3
213.04475	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	200.1282
Annotation	N-Hexanoyl-L-homoserine lactone
Peak:m/z	Relative Intensity
50.12807	0.4
51.29556	0.4
54.41985	0.4
54.98646	0.4
56.96572	3.6
57.03439	1.9
57.07079	0.7
59.05010	0.5
60.10078	0.5
61.02924	1.5
67.05506	1.3
68.05026	1.2
69.03453	0.8
69.05799	1.0
69.07073	0.7
69.94360	2.1
70.06594	42.2
71.04995	11.4
71.35348	0.4
71.95262	1.0
72.08157	2.5
77.28209	0.4
80.13071	0.4
81.07057	2.4
83.07364	1.0
84.08139	1.3
85.02931	0.5
85.06522	2.1
87.08115	0.5
89.64194	0.5
95.04978	1.5
96.08126	1.6
98.06049	0.5
98.09689	0.6
98.21409	0.5
98.97586	76.8
112.07587	0.4
112.11199	0.4
113.06002	3.9
116.98623	37.5
118.79369	0.4
119.80955	0.4
123.25552	0.5
124.11285	0.4
126.12799	22.2
134.99663	10.8
137.02368	1.1
140.00157	2.3
140.10706	57.3
142.08618	1.2
142.12277	17.7
153.00735	0.8
154.08649	0.5
158.01283	1.5
158.99619	0.7
168.13821	2.8
177.00708	3.3
182.11745	3.1
192.89265	0.4
195.01846	1.4
200.12820	100.0
200.16470	7.7
211.54903	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	198.9854
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96555	0.5
57.02422	0.2
70.02970	0.2
71.51146	0.2
72.01203	0.5
74.09720	0.3
81.03423	0.2
82.01447	0.2
82.99862	0.4
83.08585	0.2
86.02773	0.3
88.03999	0.2
88.32938	0.2
89.84085	0.2
90.02251	0.3
93.07056	0.2
98.97586	5.8
101.00871	2.6
101.39761	0.2
102.94332	0.4
103.00614	0.3
104.03786	0.4
110.01361	0.2
115.00602	0.8
115.52659	0.3
116.97235	0.2
116.98618	2.4
119.01916	3.3
120.95345	1.4
121.01634	0.6
127.05334	0.4
131.01888	0.7
132.00854	0.4
132.03241	1.3
133.01639	1.9
133.02338	0.2
133.03363	0.2
134.02983	0.3
134.04716	0.2
134.99686	0.8
137.02953	0.6
138.96411	17.9
139.96448	0.2
142.49715	0.3
144.00760	0.2
145.03491	0.2
148.96008	0.4
149.03023	0.2
150.04321	0.5
150.99500	0.3
151.02670	0.4
152.51575	0.3
153.01385	0.6
154.97752	0.5
154.99852	0.2
155.47763	0.2
155.54488	0.5
156.03249	1.0
156.97479	100.0
157.97545	1.5
158.01213	0.3
158.97989	0.3
161.03035	0.5
162.01953	0.5
163.98268	0.7
164.00279	0.9
164.96326	0.2
165.50002	0.6
166.48524	1.2
166.98715	0.2
173.00900	0.4
174.04347	0.3
174.98537	71.3
175.49069	1.3
175.51920	1.2
175.98631	1.7
176.01797	1.5
176.04262	0.2
176.05910	0.6
176.48883	0.4
176.98967	0.4
177.00761	0.4
179.99103	1.5
180.97452	1.3
180.99167	1.3
184.98732	0.2
185.02228	0.7
187.00719	1.6
189.04282	0.2
193.25591	0.2
194.03355	0.2
196.01212	1.2
198.00128	0.9
198.18527	3.0
198.98535	22.0
199.18929	1.0
201.01013	0.3
216.96216	1.6
216.99594	47.1
217.99849	0.4
219.02000	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.0876
Annotation	Caffeine
Peak:m/z	Relative Intensity
53.01427	0.0
54.03461	0.1
56.05033	0.8
57.04556	0.2
67.02991	0.2
68.03770	0.1
69.04546	4.2
70.78831	0.1
79.16776	0.0
81.04532	0.3
82.05322	0.1
83.06094	3.1
93.04528	0.1
95.06094	0.0
95.86736	0.0
96.36373	0.0
97.03997	0.3
108.05598	0.1
109.03991	1.0
110.07155	13.0
110.61630	0.0
111.05552	0.7
122.07127	0.1
123.04272	1.1
123.37779	0.1
134.66409	0.0
135.06676	0.1
136.05077	0.1
136.07430	0.0
138.06610	64.2
149.73802	0.0
151.09778	0.2
154.06186	0.1
156.07689	0.1
163.06096	0.1
165.26813	0.0
176.28496	0.0
180.06386	0.3
181.07162	0.2
195.08751	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	196.0041
Annotation	Unknow
Peak:m/z	Relative Intensity
54.93837	1.5
55.05509	0.6
56.96561	6.8
57.03444	0.8
59.96227	0.5
61.02948	0.6
67.05502	0.8
69.03431	1.0
69.07072	0.6
69.47346	4.0
69.96179	15.6
70.95879	1.5
70.98139	0.9
71.94102	4.5
72.08164	0.6
73.02924	0.9
75.73339	0.6
81.03433	1.5
81.04548	0.8
81.07066	0.6
82.03757	1.5
83.04967	1.0
84.08154	0.9
85.02921	1.5
90.32228	0.5
93.07026	0.7
97.02877	0.9
97.48950	0.5
98.97579	1.7
100.02499	1.4
101.00885	1.1
110.03197	0.6
110.97581	2.2
110.98806	2.7
111.04476	0.6
111.98486	1.2
113.00912	1.1
113.95109	9.7
115.02444	0.6
118.03528	1.3
118.92039	1.2
119.01893	1.5
121.06515	7.2
122.05985	0.8
123.06808	13.0
124.07573	0.9
126.02584	0.6
128.98627	2.7
129.02235	0.6
129.04089	0.6
129.05119	0.6
131.01910	3.0
131.96153	100.0
132.95833	2.4
133.03526	0.5
134.05977	0.8
135.09171	3.0
136.07568	0.8
136.93129	5.3
137.10774	1.0
138.05484	0.7
141.95743	1.1
145.03442	1.6
146.03273	1.0
146.99651	0.8
149.10735	0.8
149.97208	65.9
150.05511	2.3
150.09123	1.2
150.96858	1.4
152.07054	0.8
154.94208	6.3
154.97743	35.0
155.01924	1.4
155.97449	1.9
160.07568	0.5
166.08682	3.2
167.05644	1.0
167.98271	3.8
168.05037	0.9
168.65411	0.5
172.95340	7.7
172.98810	45.9
173.02856	4.4
173.98521	1.6
178.08650	4.0
178.13423	1.1
179.11856	1.0
183.06500	0.6
185.04836	2.5
190.96280	2.2
190.98570	1.5
191.02391	0.6
191.04001	1.4
196.00436	1.5
196.04498	0.8
196.09694	26.9
196.14458	1.5
196.17107	0.7
214.05621	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	194.1177
Annotation	Dihydrostrobiline
Peak:m/z	Relative Intensity
53.03935	0.8
55.05495	0.4
56.05019	0.9
56.96554	1.0
67.05514	0.6
68.05035	3.8
69.00021	0.4
69.63866	0.4
69.64177	2.6
70.06595	7.8
70.61792	0.4
74.02442	0.6
79.05492	5.4
80.04998	1.6
80.06278	3.0
81.03416	0.7
81.07058	7.2
82.06593	0.5
87.04476	0.4
91.05468	1.8
92.05003	0.5
93.05766	1.3
93.07061	2.9
94.06564	2.7
95.08585	1.2
97.06522	1.1
97.86847	0.4
98.20782	0.4
98.97598	0.6
100.15165	0.4
105.07023	3.8
106.06552	4.5
107.04964	0.6
107.07329	1.8
107.08575	1.4
108.04462	0.4
108.08088	2.2
109.02837	0.5
114.05558	2.9
118.06514	0.8
119.07306	1.1
119.08608	0.7
120.08105	5.8
121.08855	1.7
121.10159	1.2
121.60902	0.3
122.09668	3.0
131.08574	3.0
132.08138	0.7
133.08858	1.5
134.09648	4.5
136.07474	0.4
137.04674	0.9
139.07515	0.4
146.09648	1.0
146.84935	0.4
148.11214	28.4
149.12053	3.0
152.07077	1.0
163.03963	0.5
164.07076	13.0
165.07817	2.0
166.08630	1.9
166.12277	3.9
171.98885	0.4
176.03424	1.3
176.06970	0.5
176.10751	0.8
177.05472	0.6
177.08934	0.4
178.08652	2.6
179.09438	1.0
192.10205	5.9
194.11771	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	192.1021
Annotation	Ephedroxane
Peak:m/z	Relative Intensity
53.03950	1.0
53.64062	0.2
55.49391	0.3
56.05029	0.3
56.91447	0.2
59.45530	0.3
69.07064	0.3
72.04527	3.3
77.03926	0.3
79.05466	0.4
81.03428	0.4
81.07050	0.3
81.29408	0.3
83.08636	0.2
91.04973	0.5
91.05488	5.7
93.07050	11.2
95.04984	1.6
95.08620	0.4
103.05470	6.2
105.04501	0.4
105.07039	0.4
107.04963	2.5
108.08934	0.4
121.06510	100.0
122.06872	1.0
122.10474	0.3
134.10426	0.3
144.17328	0.2
146.06023	0.6
148.12019	0.4
149.09665	0.3
150.09988	1.1
150.13654	0.3
160.05078	4.1
161.80490	0.3
174.09177	0.9
174.13655	0.7
192.07536	1.1
192.10199	17.5
192.14842	1.8
192.17390	0.3
193.04970	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	194.1178
Annotation	Dihydrostrobiline
Peak:m/z	Relative Intensity
53.01791	0.5
55.05507	1.3
56.05038	0.6
56.96569	3.1
57.03463	0.5
65.86813	0.5
67.05485	1.8
68.05027	5.3
69.03425	1.4
69.07060	1.5
70.06248	0.8
70.06599	9.2
70.10077	0.9
70.10462	1.1
74.02434	0.7
79.05499	5.7
80.05023	1.5
80.06264	2.9
81.03403	1.5
81.06591	0.6
81.07061	9.7
84.03587	0.4
85.02913	0.5
91.05483	2.9
92.04955	0.5
93.05775	1.7
93.07053	3.8
94.06567	2.6
95.08589	1.1
97.06509	1.4
98.06081	0.7
98.97574	2.8
105.07040	5.3
106.06574	4.4
106.07281	0.8
107.04922	0.5
107.07331	1.7
107.08592	1.7
108.08120	1.8
109.02857	1.5
114.05539	4.5
115.01276	0.6
116.98632	0.8
119.07297	1.3
119.08537	0.8
120.08108	7.6
121.06521	6.2
121.08881	2.3
121.10143	1.7
122.09695	3.3
124.05096	4.6
128.02347	0.8
131.08546	3.4
132.08121	0.7
133.08897	1.4
133.96353	0.6
134.03598	0.6
134.09677	6.0
134.96736	1.0
135.96002	3.5
136.07573	0.7
137.04732	1.3
142.06090	0.9
146.09645	1.1
148.07576	1.1
148.11217	30.7
149.04581	2.9
149.05698	0.5
149.12024	3.3
150.56036	0.5
151.09680	0.6
158.99673	1.5
159.11755	0.5
162.05440	3.0
162.55623	0.5
164.07083	13.2
165.07892	3.0
166.08641	2.2
166.12294	3.8
167.05634	2.1
170.99660	0.7
171.05940	0.6
176.03461	1.0
176.07114	0.7
176.10631	0.6
177.00702	0.9
177.09131	0.7
178.08618	3.2
179.09450	0.8
189.00658	0.9
192.10193	7.1
194.08099	3.5
194.10310	21.0
194.11786	100.0
194.15303	3.9
195.12080	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1795
Annotation	Senedigitalene
Peak:m/z	Relative Intensity
55.05320	0.7
55.05511	7.3
57.07068	2.1
65.88423	0.9
67.05506	8.2
69.03419	1.5
69.07070	19.9
79.05490	7.3
81.07053	8.3
83.04958	1.5
83.08617	6.4
86.78780	0.9
91.05497	4.5
93.06490	1.7
93.07049	24.6
95.08608	48.4
97.10162	5.2
105.07047	4.6
107.08601	31.4
108.90441	1.0
109.06509	1.3
109.09473	1.6
109.10165	19.8
111.11679	1.4
119.08569	2.3
121.10148	44.7
123.11694	4.1
127.97961	0.9
131.08545	3.3
133.10124	3.4
135.08026	3.6
135.11699	35.2
145.10086	1.8
146.05975	1.3
147.11717	1.6
149.13269	7.9
160.05090	1.2
160.17194	1.1
163.14824	2.1
173.09608	1.5
173.13283	4.3
181.72467	0.9
191.06958	1.6
191.10669	3.4
191.14325	8.9
191.17950	100.0
192.18163	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	192.0555
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03921	7.8
55.01852	18.9
56.43427	6.2
56.96563	7.3
57.03439	50.4
59.05006	15.1
61.02918	29.7
62.98240	6.7
67.05470	8.4
69.03427	52.2
69.37433	7.9
70.06557	9.8
71.04988	10.9
71.51988	7.1
73.02921	81.7
81.01939	6.8
81.03397	19.6
82.99860	9.3
84.04494	13.5
85.02908	69.7
91.05476	12.2
93.01894	7.1
97.02895	66.9
98.09702	63.0
99.04433	8.8
100.02640	8.9
100.07603	7.6
101.00869	34.4
102.02406	33.8
106.06545	13.3
106.14636	6.0
108.02427	7.7
109.02898	7.6
110.48824	7.7
111.02911	10.8
113.00864	17.7
114.09149	9.8
116.02195	6.6
116.10722	30.6
117.02914	7.9
119.01923	55.7
123.02887	13.6
127.02413	8.7
127.03934	14.6
128.01936	35.2
128.07057	7.9
129.00368	11.1
129.02882	23.8
131.01923	47.7
132.03415	17.2
135.02908	18.1
138.03426	30.4
141.02899	7.1
143.01913	64.9
144.03415	18.7
145.03447	25.1
146.02959	100.0
146.06024	8.8
146.08110	14.4
147.01457	7.3
147.03929	19.5
149.02963	7.8
151.03464	10.2
153.03915	15.1
155.01898	73.6
156.06599	12.9
156.13834	25.6
157.03436	21.8
160.05095	78.5
161.02939	58.9
165.03853	10.0
167.01944	22.0
169.03345	11.6
169.04633	28.2
173.02985	84.5
174.03044	7.1
174.14908	74.5
181.03398	7.5
183.05005	17.7
185.02974	46.8
187.02844	10.0
187.04518	18.4
192.06500	10.4
192.10214	15.1
192.12218	8.6
192.14297	10.0
192.15977	95.0
192.17516	15.8
197.02962	9.5
199.04443	9.8
203.04030	37.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	192.0769
Annotation	Carbendazim
Peak:m/z	Relative Intensity
52.54239	0.1
53.39902	0.2
69.61018	0.9
71.57805	0.1
72.08152	0.3
86.09695	0.2
91.05478	0.4
92.04990	0.2
93.07040	0.3
103.05468	0.2
105.06999	0.3
121.06507	3.9
132.05569	1.7
132.08896	0.2
133.06380	0.3
135.05486	0.2
138.04099	0.2
146.06047	0.4
153.00677	0.2
159.04245	0.2
160.05064	100.0
161.05396	0.6
164.07071	0.2
174.13634	0.2
192.07687	27.6
192.13881	0.7
192.17365	0.3
193.04980	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1795
Annotation	Senedigitalene
Peak:m/z	Relative Intensity
55.05311	0.9
55.05510	9.0
57.07078	2.3
67.05503	7.1
69.07071	23.7
79.05493	8.1
81.07059	7.9
83.08616	9.9
91.05481	4.2
93.07051	26.5
95.08611	51.8
97.10178	5.8
105.07039	3.4
107.07884	2.0
107.08598	34.2
109.09472	1.6
109.10169	20.6
110.82079	0.9
111.11721	2.1
119.08591	2.7
121.10149	54.9
123.11708	4.1
128.90553	0.9
133.10097	1.6
135.11696	39.9
147.11684	1.8
149.13261	10.6
150.44440	0.9
163.14813	0.8
189.56267	0.8
191.14304	3.2
191.17952	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	191.1433
Annotation	2,2,6,7-Tetramethylbicyclo[4.3.0]nona-1(9),4-dien
Peak:m/z	Relative Intensity
53.03952	0.4
53.52109	0.4
55.05521	2.5
57.03446	0.8
57.07064	0.6
57.11441	0.4
58.64088	0.4
67.05495	2.2
69.03433	7.7
69.07063	2.9
69.37021	2.7
69.37431	0.8
76.51067	0.4
76.81434	0.4
79.05495	5.9
81.07056	4.6
83.04984	1.3
83.08612	0.8
85.06560	0.6
91.05477	5.2
93.07052	4.4
95.04957	0.8
95.08611	2.2
97.06521	0.6
105.07036	9.3
107.04970	3.9
107.08599	14.6
108.60762	0.4
109.06511	1.0
109.10162	6.6
115.05470	1.0
117.07035	1.3
118.07822	0.6
119.08570	2.5
121.06491	1.2
121.10151	12.2
121.11056	0.6
122.07317	2.4
123.08067	1.6
131.08586	4.4
133.10136	100.0
134.10432	0.8
135.08087	3.0
135.11697	1.3
137.09622	17.1
141.53864	0.4
143.08549	0.7
145.10129	3.0
147.11713	1.5
149.09636	1.2
149.13269	11.7
158.10933	2.5
163.14807	1.9
173.13277	10.7
191.07045	0.7
191.10669	0.8
191.14316	15.9
203.79288	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1433
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	0.9
55.01882	0.7
55.05516	3.8
56.96567	1.1
57.03425	1.1
57.07079	1.5
57.23832	0.5
65.03937	0.6
67.05509	3.7
68.65197	0.4
69.03432	9.4
69.07070	3.6
69.58391	2.2
71.04979	1.1
72.09668	0.4
79.05495	5.9
81.03412	0.6
81.07063	7.2
83.04995	2.3
83.08626	1.3
85.06570	0.8
91.05484	8.2
93.07040	6.8
95.04965	1.1
95.08612	3.5
97.06519	1.0
98.97565	0.6
103.05466	2.1
105.07029	13.2
107.04969	4.3
107.08599	20.2
109.06499	1.9
109.10160	5.9
111.08084	0.7
115.05468	1.3
116.28864	0.4
117.07027	2.8
118.07851	0.5
119.04987	0.7
119.08597	6.0
121.06490	1.6
121.10149	12.3
122.07294	2.4
123.08069	1.8
123.11710	0.4
125.65591	0.4
129.06992	1.2
130.07796	0.5
131.04953	1.7
131.08585	8.1
132.05695	0.5
133.02888	0.5
133.10138	100.0
135.04424	1.1
135.08061	5.4
135.11725	3.3
137.09624	18.2
143.08553	2.2
144.09372	1.1
145.06459	0.7
145.10126	5.6
147.04425	0.5
147.08047	0.6
147.11687	4.3
148.05246	1.9
149.05994	1.8
149.09598	3.0
149.13283	9.2
158.07178	0.5
158.10916	3.8
163.03946	1.3
163.07561	2.9
163.11176	0.7
163.14819	2.5
167.05537	0.5
173.09647	0.9
173.13274	12.4
176.04726	0.8
176.11998	0.6
191.03452	3.2
191.05348	0.6
191.07014	7.6
191.08630	0.7
191.10660	3.6
191.14313	25.2
191.17986	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1432
Annotation	2,2,6,7-Tetramethylbicyclo[4.3.0]nona-1(9),4-dien
Peak:m/z	Relative Intensity
53.03950	2.3
55.01865	2.4
55.05517	9.2
56.85621	0.9
56.96552	3.0
57.03421	1.6
57.07071	3.1
59.04990	1.3
67.05507	9.8
69.03432	8.8
69.07071	14.3
69.51445	6.9
71.05004	5.3
77.03921	1.2
79.05495	13.4
81.07056	21.6
83.04984	9.1
83.08620	7.3
85.06536	5.3
85.79070	1.0
91.05484	19.2
93.06490	1.6
93.07044	27.3
95.04988	5.6
95.08609	25.4
95.45767	1.1
97.06534	11.6
98.20843	2.1
103.05476	7.6
105.03362	1.8
105.07035	34.2
107.04966	20.3
107.08599	64.9
109.06520	17.5
109.10155	10.5
111.08091	5.9
115.05462	2.0
117.07025	6.8
118.04118	2.8
119.04928	3.2
119.06077	1.3
119.08588	18.0
120.05750	1.8
121.06510	35.5
121.10144	60.1
123.08082	14.8
123.11729	2.1
123.64529	1.1
129.06995	3.5
131.04913	3.9
131.08572	35.8
132.05695	5.3
133.02876	2.4
133.06512	2.1
133.07565	1.6
133.10139	44.8
135.08069	25.7
135.11714	8.9
137.09593	1.9
143.08586	5.0
144.09380	2.2
145.10118	15.5
147.04425	2.4
147.08115	1.5
147.11685	15.5
148.05177	10.2
148.08821	1.4
149.06017	1.4
149.09631	32.1
149.13263	17.7
158.10928	8.0
160.05125	3.3
161.13255	1.3
163.03842	1.3
163.07562	19.0
163.11240	5.3
163.14819	14.4
173.13280	45.5
176.04665	1.9
191.03397	4.0
191.07033	41.0
191.10680	4.9
191.14311	100.0
192.07468	1.0
201.42232	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1432
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	2.2
53.69197	1.0
55.01861	2.3
55.05515	9.2
55.25426	1.1
57.03415	1.5
57.07061	2.0
59.04995	2.1
65.03930	1.6
67.05522	9.1
68.80774	1.0
69.03434	9.6
69.07073	11.2
69.29224	9.4
70.05241	0.9
71.04978	3.5
72.75456	1.0
73.69702	0.9
79.05497	14.4
81.03376	1.1
81.07062	20.6
83.04982	10.0
83.08635	5.8
85.06528	4.4
91.05477	17.5
93.06490	1.7
93.07047	28.3
95.04968	4.6
95.08613	26.8
97.02911	2.0
97.06535	11.6
101.66818	0.9
103.05456	5.5
105.07038	33.4
107.04295	1.9
107.04967	20.4
107.08603	61.8
109.06533	18.0
109.10171	9.3
111.08085	7.3
111.59845	1.2
115.05418	1.2
116.06203	2.0
117.07037	5.9
119.04951	1.5
119.06128	1.8
119.08594	13.7
119.64753	1.0
120.05755	1.4
121.02877	1.5
121.06512	43.5
121.10149	64.2
122.03238	1.0
123.08070	20.6
123.11694	2.6
129.06990	2.6
130.07793	1.7
131.04933	1.5
131.08575	31.7
133.02849	1.0
133.10141	31.6
135.08063	25.8
135.11703	7.1
143.08539	3.3
144.09332	1.8
145.06456	1.8
145.10129	15.0
147.08040	2.0
147.11687	17.5
148.05190	3.3
148.08894	1.4
149.05894	1.6
149.09630	28.5
149.12187	1.7
149.13261	17.5
158.10902	7.5
160.05083	3.0
161.09593	1.1
163.07556	6.7
163.11180	5.3
163.14842	16.8
171.11665	1.2
173.09538	1.1
173.13272	40.0
176.04721	2.5
176.11926	1.3
183.03166	1.4
191.03397	4.6
191.07030	27.5
191.10802	5.2
191.14313	100.0
209.77411	1.2
213.04475	1.8
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	2,2,6,7-Tetramethylbicyclo[4.3.0]nona-1(9),4-dien
Peak:m/z	Relative Intensity
50.84396	0.9
53.03944	2.8
53.83709	0.9
55.01854	1.3
55.05502	4.5
55.67434	1.1
57.07055	2.2
57.34315	1.0
59.05008	1.3
59.90375	1.0
63.16315	1.0
65.03933	1.4
67.05503	25.1
67.83222	0.9
69.03419	4.4
69.07083	6.4
70.96995	2.1
71.04991	32.8
79.05494	16.5
80.16657	1.0
81.07056	13.6
83.04974	2.5
83.08614	2.9
85.06538	10.7
91.05488	17.6
93.07040	13.5
95.04964	11.0
95.08604	13.1
96.12453	1.0
97.06541	9.1
98.97598	1.1
103.05463	2.8
105.07030	31.0
107.04957	3.4
107.08593	43.6
109.06518	51.1
109.10157	74.7
111.08067	2.3
115.05457	1.5
116.06166	1.2
117.07011	7.2
119.04825	1.4
119.06094	1.3
119.08569	12.1
121.06505	6.7
121.10146	43.6
123.08070	27.6
129.07027	2.4
130.07747	1.6
131.04889	1.2
131.08565	43.7
133.02870	1.3
133.06482	1.2
133.10132	37.2
135.04359	1.1
135.08057	58.9
135.11708	5.0
137.09578	4.3
137.72246	1.1
143.08539	3.8
144.09369	1.8
145.06493	1.2
145.10120	13.2
147.08070	1.8
147.11682	16.2
148.05212	3.7
148.08891	2.4
149.06003	1.3
149.09647	9.9
149.13266	13.6
150.10419	2.5
158.10907	9.1
159.04506	1.4
160.05211	1.5
161.09613	2.1
162.10416	1.1
163.07524	7.4
163.14796	1.2
173.05989	2.5
173.13266	46.9
191.03348	3.8
191.07033	11.7
191.10696	5.0
191.14302	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	191.1432
Annotation	2,2,6,7-Tetramethylbicyclo[4.3.0]nona-1(9),4-dien
Peak:m/z	Relative Intensity
53.03945	3.5
55.01870	2.2
55.05519	7.0
56.96564	3.6
57.03424	1.8
57.07080	3.1
59.04996	2.1
59.25605	1.4
65.03941	2.9
66.04724	1.2
67.05510	9.4
69.03432	23.6
69.07076	20.3
71.04988	3.9
79.05494	13.9
81.07065	8.4
83.04990	7.2
83.08612	5.7
84.41061	1.3
85.06535	4.0
91.05485	24.4
93.07048	15.9
95.04966	4.3
95.08611	13.3
97.06527	4.9
98.97565	2.2
103.03955	1.6
103.05453	3.8
105.07040	29.6
107.04943	4.2
107.08598	32.4
109.06512	8.7
109.10165	8.1
111.08083	3.6
115.05431	4.4
116.06208	1.8
117.07029	17.1
119.06068	1.4
119.08592	26.1
119.09380	2.9
121.06523	9.9
121.09328	2.3
121.10149	29.1
123.08076	7.9
123.11684	3.0
126.99722	1.4
128.06207	2.8
129.07027	6.9
130.07793	3.3
131.04916	4.9
131.08575	36.7
133.06564	1.9
133.10138	32.8
135.04390	1.6
135.08066	29.7
135.11690	5.5
136.06151	3.7
141.58047	1.4
143.08577	18.1
144.09329	4.5
145.06485	5.4
145.07578	1.8
145.10135	29.3
146.05960	1.6
147.11700	14.9
149.05997	1.9
149.09647	9.3
149.13292	12.5
155.04936	5.9
158.10910	17.4
158.87688	1.5
159.04338	2.3
160.05072	35.5
161.09630	1.9
163.07547	3.9
163.11224	2.0
163.14821	4.4
173.06000	17.8
173.09642	1.7
173.13274	39.5
176.04611	2.1
191.03423	4.5
191.06938	15.1
191.10677	5.3
191.14313	100.0
192.07683	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	190.159
Annotation	Unknow
Peak:m/z	Relative Intensity
57.13768	0.2
65.46882	0.2
69.07055	0.3
69.48653	0.4
69.49058	1.1
72.28444	0.2
74.51122	0.2
79.05495	0.4
91.05455	0.6
93.07034	0.3
95.04945	0.3
98.20752	0.4
105.06971	0.3
107.08591	0.3
109.10065	0.3
117.05719	0.3
117.07036	0.3
118.06545	0.3
119.08605	0.5
121.06507	0.8
124.04641	0.4
130.03670	0.4
130.06543	0.5
131.04958	0.4
132.08093	20.5
133.08865	0.7
133.10127	0.9
134.09631	0.5
144.08078	0.4
145.10165	0.3
146.09641	8.6
147.04434	0.4
147.06728	0.3
147.10440	2.6
147.11513	0.4
148.11209	0.4
149.02347	0.5
151.02415	0.2
160.11217	8.4
161.05716	0.3
161.11964	0.6
162.09204	0.4
174.12770	1.0
175.03754	0.3
180.10709	0.2
190.06233	1.3
190.08701	1.0
190.15907	100.0
191.03409	0.7
191.07004	0.5
191.14326	1.0
191.16286	0.9
209.49336	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	190.0864
Annotation	3-Indolepropionic acid
Peak:m/z	Relative Intensity
55.01882	1.0
55.02155	0.4
56.96577	0.5
63.73304	0.4
69.07077	0.6
71.52972	0.8
73.02924	4.2
91.05495	1.4
92.05831	0.4
103.05492	0.7
105.06973	0.5
106.07355	0.9
107.08601	0.4
115.05450	1.4
115.23663	0.4
116.05767	0.4
117.05762	0.9
117.07005	4.4
117.96803	0.4
118.06551	21.7
119.08594	0.7
120.08924	0.6
124.04653	0.7
128.04942	0.5
128.06232	0.5
130.06531	100.0
131.07306	0.8
132.08096	6.1
135.07986	0.5
137.03587	0.5
142.06519	1.0
143.07326	4.6
144.08084	66.4
144.47256	0.4
145.06477	1.1
145.08426	0.8
145.10164	0.5
146.04095	0.7
146.09616	1.0
147.04378	1.3
149.02327	1.9
154.06540	1.1
155.06049	1.1
160.07587	3.6
160.11234	1.2
161.05708	0.5
162.06496	0.6
162.09117	0.9
163.07520	0.5
172.07570	23.4
175.03816	0.8
190.05962	1.8
190.08591	10.0
190.13179	1.0
190.15900	17.3
191.03348	0.7
191.06995	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.1639
Annotation	(R)-1-Methyl-4-(1-methyl-5-hexenyl)-benzene
Peak:m/z	Relative Intensity
53.00289	1.7
53.03935	5.2
55.05516	13.0
56.96549	5.3
57.03432	3.2
61.02913	7.1
65.03948	2.6
65.56416	1.6
67.05505	10.8
69.03432	40.7
69.07071	13.0
71.04982	3.1
71.52554	1.4
73.02930	1.8
79.05499	10.6
81.03452	3.5
81.07053	34.3
83.04981	23.0
83.08615	3.6
85.02911	3.4
91.05477	22.4
93.07038	14.3
95.08610	44.0
95.66779	1.5
97.10167	3.7
97.74557	1.4
99.04459	9.3
102.02695	1.5
102.03326	3.4
103.05467	1.5
105.07034	52.8
106.96596	9.6
107.08581	20.5
109.10164	13.0
111.04485	10.2
117.07001	3.9
118.50431	1.7
119.08585	100.0
121.10143	7.7
124.04655	3.3
124.97601	7.0
128.06192	3.0
129.03381	19.4
129.05481	22.7
129.07004	2.7
131.04948	2.9
131.08551	8.8
133.05130	2.0
133.10138	56.1
142.98717	4.7
143.08598	3.0
145.10138	7.0
146.04144	3.3
146.10912	2.6
147.06523	2.3
147.08012	1.9
147.11693	43.9
154.49773	1.9
156.09360	3.8
157.55006	1.7
159.11671	2.7
160.12451	3.6
161.05981	7.7
161.09608	2.6
161.13260	33.5
161.54939	1.6
163.50369	2.1
166.00201	2.8
171.11729	6.3
174.06822	2.4
174.10454	2.4
189.05475	49.3
189.07458	5.2
189.09155	8.2
189.12621	15.4
189.16391	87.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.1599
Annotation	N6,N6,N6-Trimethyl-L-lysine
Peak:m/z	Relative Intensity
51.66199	0.3
54.61148	0.3
54.99641	0.3
56.05040	1.2
60.05360	0.3
60.08165	28.6
67.05501	1.6
69.07099	0.4
70.06595	1.9
71.11789	0.6
74.07195	0.8
84.08144	100.0
85.06538	1.5
86.09731	0.4
90.41139	0.3
112.89595	0.9
114.89334	0.8
116.07105	0.9
130.08643	45.8
144.13832	3.4
156.88472	0.9
165.56125	0.3
183.60341	0.3
188.91158	0.5
189.13319	1.2
189.15981	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	189.1275
Annotation	Unknow
Peak:m/z	Relative Intensity
52.55568	0.9
53.03930	0.7
53.22596	0.7
55.01869	1.1
55.05492	2.9
56.96554	1.3
57.03418	1.2
60.08146	0.8
61.02913	1.0
65.53097	0.9
69.03434	11.3
69.07053	3.0
70.06583	1.3
71.04976	1.1
71.16608	1.2
71.16949	1.0
79.05468	2.3
81.03394	0.8
81.07057	1.7
83.04983	4.5
84.08150	1.5
85.02894	1.8
91.05076	0.6
91.05490	7.2
93.07038	2.0
95.04989	1.4
95.08614	1.1
97.06467	0.9
99.04462	1.6
103.05447	1.6
105.07045	14.2
106.96599	1.5
107.08595	3.1
109.06503	1.1
111.04427	1.9
115.05424	3.5
117.05496	1.0
117.07056	4.0
119.08586	16.4
121.10151	1.0
128.06204	5.0
129.03401	5.6
129.05457	3.3
129.06979	5.6
130.02849	0.9
130.07800	4.7
130.08598	1.2
131.04900	1.9
131.08586	5.0
133.06473	3.3
133.10133	5.6
135.08018	1.0
140.06100	0.8
141.06989	6.9
142.07790	1.1
143.08572	8.7
144.09357	1.9
144.62253	0.8
145.10129	19.0
146.07263	0.9
146.10869	0.9
147.04416	1.0
147.08067	5.8
147.11693	13.8
153.86879	0.8
154.37891	0.8
155.08525	2.4
156.09357	46.8
157.06496	1.4
159.08130	4.2
159.11694	14.5
160.05208	8.6
160.08820	1.5
161.05980	14.2
161.09589	3.0
161.13232	3.5
171.11693	61.3
174.06822	3.6
174.10435	6.3
189.05472	15.3
189.09131	15.8
189.12743	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	188.0706
Annotation	N-Methylquinolinium-2-carboxylate
Peak:m/z	Relative Intensity
52.51567	0.4
57.19196	0.3
58.13912	0.4
58.84526	0.4
60.69543	0.3
62.01577	0.4
70.75513	1.2
91.05473	2.9
115.05449	4.4
115.15942	0.4
117.05765	0.9
117.07007	3.6
118.06544	53.5
123.49754	0.4
127.05394	0.4
128.62854	0.5
132.08072	0.6
142.06519	5.0
143.07314	8.9
144.04494	0.7
144.08093	22.7
145.06483	0.6
145.08394	0.4
146.06012	100.0
147.06367	0.7
155.06038	0.7
160.07588	1.2
170.06017	7.1
171.06454	0.4
188.07068	28.9
195.21541	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.1274
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02378	0.8
53.03928	2.1
55.01877	5.0
55.05516	5.5
56.96552	1.6
57.03436	1.0
57.07061	1.1
57.74963	0.6
60.59019	0.6
61.02922	3.3
65.03918	0.7
66.13506	0.6
67.05188	0.9
67.05510	14.5
69.03095	0.9
69.03433	13.6
69.07060	5.8
70.30424	2.0
71.04981	2.8
79.05067	1.1
79.05500	15.3
81.03411	2.7
81.07064	10.9
82.85300	0.7
83.04984	10.1
83.08606	1.5
85.02890	1.3
85.06544	1.7
86.75874	0.6
91.05488	62.8
93.07050	9.6
95.04997	3.2
95.08608	6.6
97.06556	3.5
97.10129	1.2
99.04444	3.7
103.05456	2.3
105.07037	34.1
106.96568	2.1
106.98913	0.6
107.04965	4.1
107.08595	5.5
109.06494	1.7
109.10112	1.1
111.04444	2.3
111.08086	1.0
115.05445	2.9
117.07032	12.4
118.04198	0.9
119.08588	34.5
120.57884	0.7
121.06533	3.7
121.10131	2.6
123.08055	1.3
124.04671	1.4
124.97594	2.6
128.06215	5.3
129.03391	10.7
129.05560	5.8
129.07010	34.2
130.07744	2.2
131.04930	1.6
131.08566	4.3
133.06470	2.8
133.10138	17.6
135.08107	0.9
141.07028	1.1
142.07762	1.2
142.98672	1.8
143.08566	15.5
145.10130	24.5
147.06442	0.9
147.06844	0.8
147.08049	7.6
147.11705	14.4
154.49672	1.2
156.09334	3.5
159.11731	1.5
160.08817	0.8
161.05977	3.7
161.09669	2.9
161.13255	13.9
171.11700	53.3
174.06702	1.1
189.05490	22.3
189.07339	1.5
189.09193	4.6
189.12746	100.0
189.16345	12.1
194.71892	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	187.0005
Annotation	Unknow
Peak:m/z	Relative Intensity
58.42084	20.1
61.55172	22.7
69.03408	21.3
70.06561	22.6
70.11129	31.4
70.11523	53.7
72.84544	19.5
76.80556	19.3
81.05947	19.8
101.00863	71.6
113.00906	19.4
116.07079	63.5
119.01931	100.0
121.01662	43.4
128.46744	19.9
155.76465	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	188.0708
Annotation	N-Methylquinolinium-2-carboxylate
Peak:m/z	Relative Intensity
52.25003	0.3
55.05520	0.6
56.96562	1.4
60.04566	0.3
64.94309	0.3
67.38943	0.3
69.03429	0.4
70.59965	1.0
72.08163	0.4
82.06586	1.2
83.04985	0.6
84.04516	3.2
84.08115	0.3
84.96032	0.3
85.02908	0.6
88.03979	0.7
91.05485	3.0
98.09695	1.5
98.10281	0.4
98.97623	0.5
103.05450	0.5
115.05466	4.9
117.05770	1.0
117.07019	4.3
118.06548	59.5
119.06895	0.6
124.07603	0.6
126.09782	0.3
128.07094	2.9
132.08083	0.8
142.06532	6.0
142.08629	2.2
143.07309	10.4
144.03571	0.5
144.04538	0.6
144.08090	23.5
144.10188	1.1
146.06015	100.0
147.06396	0.9
153.04163	0.5
155.06053	1.0
160.07570	0.8
170.06023	8.8
170.08197	1.5
171.08435	0.5
171.14885	0.4
188.07076	29.5
188.09076	1.6
189.05562	0.4
189.07391	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	187.0004
Annotation	Unknow
Peak:m/z	Relative Intensity
58.70047	8.1
64.89001	8.2
69.51160	57.7
70.06598	11.1
70.40688	9.3
72.08135	27.7
94.06030	10.8
94.06576	100.0
107.07309	11.8
116.07150	8.7
119.01920	21.0
121.01711	8.6
143.11823	10.0
144.08076	12.6
156.08116	10.9
172.09959	16.6
187.10822	16.4
187.12335	55.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	186.149
Annotation	Unknow
Peak:m/z	Relative Intensity
50.30272	0.2
55.05511	1.0
56.96564	0.9
68.05052	0.3
69.03433	0.2
69.07088	0.3
69.95898	0.9
70.06598	100.0
71.06927	0.4
76.12473	0.2
76.73991	0.2
81.07065	0.4
84.04514	0.4
84.08145	1.6
85.02909	1.2
86.06052	0.3
87.04516	0.5
89.03895	1.1
98.06071	0.9
102.96844	0.2
105.23193	0.2
112.07618	0.3
114.05546	1.5
116.07133	0.5
117.03397	1.9
121.00808	1.6
121.01634	0.4
122.06082	0.3
123.04465	0.7
126.05541	1.2
126.12842	1.0
135.04478	0.2
139.01869	0.7
140.07030	0.5
144.03384	0.2
145.02856	2.2
150.03094	0.2
151.03920	0.7
158.06096	0.9
158.08136	0.2
163.01820	3.0
168.13853	4.2
168.15230	0.3
179.00258	0.4
181.02898	2.8
181.86884	0.2
186.05539	1.4
186.07642	0.8
186.09161	0.3
186.11263	0.4
186.14893	4.1
197.01312	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	186.0432
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96567	3.5
63.24133	0.5
63.93193	0.5
63.94856	0.5
69.87077	1.0
69.87444	2.2
70.06579	1.2
70.78249	0.4
82.01430	1.7
83.93696	0.5
84.04472	0.8
84.08136	1.1
84.99597	5.5
85.02907	1.1
97.02880	0.6
97.73664	0.6
98.97571	2.7
100.02508	2.8
101.00882	2.9
101.06058	0.4
102.00980	2.1
103.00645	51.8
103.01270	2.8
113.00871	0.6
114.04004	1.5
116.98623	1.1
117.02191	0.8
118.03502	0.7
119.01945	6.4
120.02005	5.3
121.01672	100.0
121.02313	5.0
125.98658	1.7
126.02192	4.0
126.05446	0.5
132.05092	1.0
137.02960	1.1
138.02998	1.0
139.02698	17.4
140.10732	1.0
142.03499	1.1
143.03638	0.7
143.99669	2.1
144.03236	25.1
145.01657	2.1
145.03484	2.3
151.89690	0.5
151.99655	0.6
158.03671	0.6
158.25528	0.5
159.03229	0.9
160.04720	0.8
162.00807	0.7
162.03046	1.4
162.04305	5.0
163.02681	15.1
180.04047	0.8
181.03764	13.4
186.03041	1.5
186.04385	1.9
186.06146	1.3
186.11288	0.7
187.02789	0.8
204.05663	0.9
204.07265	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	186.0431
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05488	0.4
55.65522	0.3
56.96564	2.7
58.06600	0.4
67.44870	0.3
69.72247	0.7
69.72661	1.6
70.06582	1.4
73.02926	0.5
76.03610	0.4
81.28160	0.4
82.01434	1.1
82.99872	0.4
84.04501	0.9
84.08135	1.5
84.99603	5.4
85.00139	0.5
85.02908	0.8
86.26414	0.4
97.02895	0.6
98.20918	0.6
98.97611	1.9
100.02486	1.3
101.00886	3.0
102.00981	2.6
102.02267	0.6
102.96941	0.5
103.00644	48.7
103.01261	2.1
109.02864	0.4
110.08484	0.5
114.04051	0.5
114.05511	0.9
116.98617	0.5
117.02154	0.6
119.01924	5.2
120.02000	6.2
121.01674	100.0
121.02299	4.5
123.02114	0.8
125.98662	1.4
126.02203	3.7
126.05539	0.6
126.12790	0.5
127.02393	0.3
131.01924	0.6
137.02974	0.9
138.03052	0.9
139.02699	17.8
140.00235	0.6
140.10756	0.4
142.03539	0.9
143.01945	0.6
143.03616	1.1
143.96011	0.4
143.99677	1.5
144.03238	26.0
144.98106	0.4
145.01680	1.6
145.03511	1.3
158.03711	0.6
161.02962	0.6
162.03076	2.0
162.04353	4.5
162.98993	0.5
163.02750	15.0
163.04630	0.8
165.55569	0.5
167.04898	0.5
175.25969	0.4
180.04247	0.6
181.03772	14.9
186.02960	0.7
186.04413	1.0
186.06100	0.6
186.11252	0.8
186.14883	0.7
187.04559	0.9
204.07175	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	185.0422
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05273	4.5
55.05511	18.5
56.96561	24.0
57.03437	6.6
59.05014	5.7
60.95858	10.9
62.95286	5.3
67.05516	4.3
67.79449	3.6
69.03440	13.3
69.04554	23.7
69.07050	11.3
69.63580	25.3
70.06587	13.6
71.04999	10.5
71.40104	4.1
72.08156	7.7
79.05489	8.8
81.07053	13.1
83.04971	13.1
83.08623	5.2
84.04477	4.3
84.08158	9.7
85.02898	16.0
85.06525	3.7
86.09708	6.3
93.07046	17.8
95.04964	8.7
95.08611	15.1
97.06525	8.8
97.10172	5.5
97.99158	3.8
98.06075	5.0
98.20805	4.9
98.97585	4.8
101.00888	12.7
102.00961	35.6
102.96870	98.8
103.00644	4.3
107.08602	8.9
109.06517	4.9
111.04459	15.1
111.08101	12.4
119.01923	47.1
120.02007	100.0
120.97912	80.7
120.98779	4.0
121.00815	12.7
121.01704	12.2
121.06525	13.5
121.07621	4.9
121.10162	10.8
122.85219	3.9
123.04457	7.7
123.08054	5.7
124.99103	12.7
125.05987	17.4
125.09647	4.6
126.05546	7.0
127.03934	6.3
137.02965	8.1
138.03029	40.4
138.98941	39.9
139.01807	6.5
139.07600	10.8
139.08652	5.1
139.11209	4.4
140.07066	5.0
141.11021	7.9
143.00180	28.1
143.03638	32.0
143.99661	6.8
144.03278	12.2
149.07112	9.6
161.01224	19.0
161.03143	4.8
161.04684	12.5
162.00612	9.7
162.03067	21.8
162.75136	4.1
163.01782	19.1
167.03404	6.5
167.07027	18.4
167.08284	7.1
168.06584	4.1
170.07973	13.4
174.00713	4.4
179.04128	5.7
180.04134	18.6
181.02817	21.6
185.04265	67.5
185.07904	9.0
185.10420	14.2
185.12997	10.7
201.00714	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	185.0326
Annotation	Unknow
Peak:m/z	Relative Intensity
71.03683	11.5
71.04010	22.6
74.43726	12.2
82.20496	13.3
93.15942	12.0
101.00872	15.0
102.00973	21.9
103.00648	13.5
103.22678	13.4
109.18038	12.5
110.08406	40.8
111.04913	11.8
111.08755	78.7
111.22133	12.7
119.01911	21.9
120.02003	74.6
124.09554	44.2
138.03073	12.4
139.19086	11.3
141.12143	33.1
143.03653	20.7
152.63998	11.8
162.03152	13.3
185.11143	100.0
185.85588	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	184.1081
Annotation	Unknow
Peak:m/z	Relative Intensity
50.99935	0.3
51.84900	0.3
55.01868	0.4
55.05520	0.4
56.05030	0.4
56.96559	1.3
57.03426	1.2
58.99895	0.4
59.04994	1.2
61.02922	1.0
67.04240	0.4
68.05024	0.8
69.03425	1.5
70.03746	0.4
70.06592	3.3
70.98129	0.8
70.99814	0.4
71.00107	0.4
73.02910	3.5
77.09550	0.4
81.03410	0.6
82.06580	1.8
82.99837	5.6
85.02911	1.7
86.09708	1.2
95.06110	1.2
97.02889	1.5
97.07659	2.1
98.97581	1.4
99.04494	0.4
99.09229	1.3
100.02529	0.5
101.00883	51.8
102.00987	1.6
103.00641	0.7
103.02312	0.4
104.10792	0.6
109.02904	0.6
109.07641	9.5
109.08346	0.6
110.01279	1.2
110.08423	49.1
110.97586	0.6
111.09211	4.3
115.00613	0.6
115.02425	0.9
116.83421	0.4
117.02918	0.4
119.01920	100.0
120.01968	1.9
120.25701	0.4
121.01609	0.8
123.09194	20.1
123.53131	0.4
124.02444	4.0
125.00021	0.9
127.03939	0.7
127.54299	0.4
128.02330	1.7
128.52405	0.4
128.98619	1.2
131.01903	0.8
133.01617	0.8
133.03387	0.6
136.03781	0.4
136.54889	0.5
137.02953	15.5
137.04593	0.6
139.01498	0.8
139.08662	4.4
140.11827	18.0
141.95627	0.4
142.03505	25.1
143.00156	0.5
143.01898	5.2
143.03619	1.0
144.02034	0.8
144.98120	0.7
145.01579	1.1
147.03075	0.7
153.54089	1.1
154.03894	0.6
155.01869	0.6
157.03419	0.5
160.04576	5.1
161.01526	0.8
161.02962	18.0
162.03140	0.7
162.54626	0.7
163.04459	0.5
165.05090	0.6
167.08195	1.1
170.03217	0.4
173.02977	0.6
174.23183	0.4
175.02798	0.6
175.04416	0.6
179.04010	14.1
184.04572	1.5
184.07385	1.2
184.10823	41.2
185.03020	0.6
186.03091	0.8
186.99289	0.4
187.02888	0.4
202.05614	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	184.1082
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96555	1.7
57.03419	2.2
61.02902	1.0
61.76456	1.1
63.58280	0.9
68.05023	1.7
69.03417	1.3
70.06598	6.0
71.37225	1.2
71.37553	1.5
73.02907	2.5
74.83752	1.0
82.06553	2.1
82.99852	4.9
85.02908	1.8
86.09714	5.4
94.04456	1.0
95.06108	2.6
97.02871	1.9
97.07647	4.3
98.97591	1.8
99.09209	1.9
101.00888	51.1
102.00974	1.6
102.83422	1.0
109.07655	17.7
110.08427	90.5
111.09230	8.1
119.01929	100.0
120.01996	2.5
122.36108	1.2
123.09195	35.1
124.02449	4.6
125.00018	3.8
127.54315	1.4
137.02975	16.6
137.04646	1.4
139.08638	8.8
140.11835	28.5
141.09477	1.0
142.03503	26.6
143.01930	5.8
143.03595	1.5
160.04572	5.1
161.02979	19.9
161.04338	1.7
162.03093	1.2
167.08208	1.2
179.03996	14.1
184.04559	2.6
184.07423	7.5
184.10825	69.1
185.03075	1.2
185.09351	1.2
185.11087	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	184.0456
Annotation	Unknow
Peak:m/z	Relative Intensity
54.13917	0.3
56.96563	0.4
62.01505	0.4
69.03449	0.5
69.34004	3.3
70.06576	0.8
73.02899	0.6
82.99839	7.1
83.45824	0.5
85.02911	0.5
86.50261	0.4
97.07659	0.4
101.00885	57.2
102.00960	1.0
109.07613	1.9
110.08425	9.5
111.00488	0.6
111.09196	0.8
114.35361	0.4
119.01924	100.0
120.02017	1.5
121.02321	0.6
123.09205	3.2
124.02453	4.7
133.01578	0.4
137.02959	15.1
139.08653	0.8
140.11845	3.6
142.03505	26.9
143.01898	2.3
143.03685	1.7
160.04573	4.2
161.02966	15.0
179.04018	13.4
184.04552	1.1
184.10832	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	183.0502
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	4.0
55.01873	15.0
55.05507	3.8
55.40246	2.0
57.03441	39.9
61.02929	27.7
69.03430	73.9
69.65147	13.3
71.01353	4.2
71.04990	4.4
73.02917	57.3
75.04480	2.1
79.02164	3.6
80.50529	2.1
81.01897	5.7
81.03427	12.7
82.99834	14.0
83.04990	9.1
85.02909	49.8
87.01904	7.1
87.04460	6.1
89.00900	2.9
93.01880	7.4
94.02676	5.2
94.99818	3.2
95.04949	2.6
96.02405	3.1
97.01402	3.9
97.02298	3.6
97.02892	35.8
99.04446	12.4
100.02696	4.2
101.00883	69.9
101.02393	2.7
101.03462	2.6
102.02406	16.2
103.03911	3.7
105.01922	3.9
106.02678	4.6
108.02418	7.9
109.02877	6.4
110.08410	11.2
111.02932	15.6
111.04463	5.9
113.00877	21.5
114.02406	4.5
115.02422	7.8
115.03163	4.9
116.63574	2.4
117.02916	4.1
119.01926	100.0
120.02458	3.2
120.03449	4.5
121.03170	5.1
123.02912	6.9
123.04410	4.2
123.09205	6.0
124.02423	3.8
127.02420	10.1
127.03915	11.9
129.02919	10.3
129.94666	2.6
130.03740	2.8
131.01918	31.5
132.03439	7.7
133.03477	2.8
135.02895	5.4
136.03683	4.6
137.02982	12.5
138.03444	18.6
139.02396	5.8
140.11813	5.8
141.03979	3.0
142.03513	37.2
143.01903	63.7
144.02057	5.1
144.03432	9.1
145.03464	22.5
147.01408	4.5
147.03943	4.0
153.03963	8.5
155.01904	49.8
156.01997	2.9
157.03493	15.6
160.04552	18.4
161.02959	49.2
162.03154	4.1
167.01891	15.9
169.03543	3.0
171.01419	3.2
171.05048	3.8
173.02956	53.5
174.03116	4.6
175.04536	3.8
179.04034	5.6
184.04536	2.6
184.10829	9.2
185.02975	30.6
186.03101	4.2
187.04533	3.0
191.03978	3.3
197.03001	6.8
199.04477	3.0
203.03976	23.3
204.04306	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	181.0495
Annotation	Caffeic acid
Peak:m/z	Relative Intensity
50.01635	0.2
55.05499	0.4
55.47942	0.3
55.64829	0.3
56.96565	1.7
60.14137	0.3
63.02347	0.3
68.69006	0.2
70.06581	0.9
71.16636	0.3
71.95266	0.4
72.08138	0.8
79.05491	2.6
84.77222	0.3
89.03917	11.4
91.05470	1.1
93.03407	0.7
93.22414	0.2
94.06568	0.7
95.04951	1.0
95.07019	0.3
98.97585	27.3
107.04957	4.6
107.08588	0.4
110.06031	0.5
111.04437	0.6
116.98621	11.8
117.03379	18.7
119.04916	0.4
121.06502	0.6
122.06030	7.4
125.05989	0.4
134.99673	2.9
135.04419	31.5
137.05893	0.3
139.03908	1.1
140.00175	0.7
145.02852	21.3
145.03889	0.9
158.01280	0.4
163.03905	100.0
164.04224	1.1
164.10715	8.0
173.93878	0.3
181.04962	1.4
181.07193	1.2
181.08606	0.6
181.13356	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.0496
Annotation	Caffeic acid
Peak:m/z	Relative Intensity
53.03962	0.3
54.30905	0.2
56.96568	3.2
63.02375	0.3
67.05518	0.3
68.84724	0.2
69.33955	0.6
69.34367	1.4
71.95255	0.6
79.05489	2.4
80.36969	0.2
89.03920	13.2
91.05479	1.1
93.03383	0.6
93.07074	0.6
95.04971	0.7
98.97588	49.5
107.04296	0.4
107.04959	4.7
107.08574	0.4
111.04458	1.1
111.43452	0.2
116.98625	21.2
117.03382	18.7
119.04962	0.9
121.02873	1.1
121.06493	0.3
121.08446	0.6
121.10207	0.3
122.05998	0.4
133.93904	0.3
134.99663	6.1
135.04417	31.6
137.05971	0.9
137.08231	0.3
138.06705	0.4
139.03905	1.0
140.00191	2.0
145.02853	21.7
153.00728	0.5
158.01260	1.2
163.03906	100.0
164.04239	1.0
181.04912	1.8
181.07240	3.1
181.08655	0.5
186.05537	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.0402
Annotation	Unknow
Peak:m/z	Relative Intensity
51.18735	0.5
56.96556	2.3
65.43484	0.7
66.21204	0.6
70.66144	1.7
82.01444	2.1
82.99835	3.9
94.26105	0.6
97.01398	0.8
97.51580	0.8
97.99139	0.6
98.97589	0.9
100.02477	3.5
101.00884	49.8
102.01013	0.6
106.52126	4.9
115.00549	1.1
115.01251	0.7
115.02432	4.1
115.52655	7.1
118.03563	1.0
119.01925	100.0
120.02028	1.9
124.53162	0.9
126.46020	0.7
132.54404	0.6
133.01656	2.3
133.03476	11.7
135.03188	3.2
137.02960	14.9
138.04019	1.4
142.03467	0.9
143.01900	2.4
144.03647	4.1
147.04361	0.8
151.04544	1.7
155.54472	2.4
156.03281	1.6
156.05070	8.2
157.03474	0.7
161.02968	32.8
164.55046	0.9
174.03136	1.0
174.06166	1.4
179.04028	33.1
184.04651	0.8
191.71640	0.6
195.08791	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	178.1228
Annotation	4-(Diethylamino)benzaldehyde
Peak:m/z	Relative Intensity
55.01864	0.4
56.96568	2.9
59.05024	0.4
65.03933	0.4
67.05507	0.7
70.45872	0.8
70.46252	0.7
79.05502	0.7
80.05038	0.3
82.62508	0.3
83.04969	0.6
86.18013	0.3
88.02224	1.2
90.04257	0.4
91.05483	1.2
92.05028	0.4
93.05788	0.3
93.07092	0.5
94.06522	0.3
95.04976	0.5
98.97576	1.2
99.97915	0.4
103.02363	0.5
105.07033	1.4
107.08575	0.5
110.97482	0.4
111.04431	0.4
112.02824	0.4
114.73634	0.3
115.05508	0.3
116.98617	0.8
117.07027	1.1
117.98969	0.4
118.03713	0.7
118.06540	6.4
118.96755	0.9
119.04951	0.5
119.07325	6.6
121.06494	0.3
122.52855	0.7
123.04426	0.3
132.08112	0.8
133.02852	0.6
133.06497	0.6
134.09657	48.2
136.07561	0.5
136.93108	1.1
144.03636	0.6
146.03207	1.3
147.04488	0.4
150.09189	0.5
154.80649	0.3
154.94206	2.1
154.96451	0.4
158.85524	0.3
160.03943	1.3
160.11220	1.8
162.09123	1.9
162.99142	0.3
163.06224	0.6
163.09915	1.1
172.95331	2.1
177.98160	0.4
178.04958	7.8
178.08978	3.3
178.12273	100.0
179.03436	1.3
179.12613	1.3
190.96239	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.1638
Annotation	(3E,5Z,7Z,9E)-Trideca-3,5,7,9-tetraene
Peak:m/z	Relative Intensity
53.03916	1.4
55.05270	1.3
55.05517	13.3
57.00450	1.1
59.81949	1.4
67.05524	7.5
69.06739	1.5
69.07075	26.3
69.44173	7.5
69.44584	2.6
79.05493	26.4
79.06436	1.7
81.07060	77.6
83.08617	12.6
91.05492	9.8
93.06487	2.7
93.07047	39.5
95.08611	49.3
97.10168	7.5
98.98476	3.0
105.07043	6.1
107.08600	100.0
109.10166	16.3
119.08572	2.2
121.10150	86.0
135.11722	13.6
149.02316	1.5
149.13235	7.0
162.05072	1.4
167.65630	1.5
177.05388	1.7
177.07472	2.2
177.08963	1.2
177.12819	4.6
177.16391	80.5
178.08656	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.0547
Annotation	4-Methylumbelliferone
Peak:m/z	Relative Intensity
51.54837	0.4
52.68705	0.6
53.03950	0.5
53.14304	0.5
55.05500	0.5
58.47293	0.4
63.02380	0.8
65.03941	0.5
65.70876	0.5
66.26259	0.4
69.99785	1.9
70.00195	1.2
77.03924	0.8
78.04720	1.3
83.45293	0.6
89.03918	34.6
91.05482	2.3
91.34126	0.4
91.79044	0.5
98.20851	0.6
98.97578	2.1
98.98453	1.2
103.05484	1.5
106.04151	2.8
116.98628	1.1
117.03379	65.9
121.06502	0.5
121.10149	0.5
131.04881	0.8
133.90569	0.5
134.03642	6.7
134.99696	0.7
135.04402	3.0
135.08032	0.9
145.02846	100.0
146.03206	0.9
149.02431	0.6
149.05986	21.3
160.07579	2.0
162.03185	0.6
163.03911	1.9
168.46417	0.6
177.05466	34.3
177.12674	0.6
186.05508	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.0547
Annotation	4-Methylumbelliferone
Peak:m/z	Relative Intensity
56.96560	0.5
63.02392	1.3
65.03950	0.3
67.05527	0.3
70.62137	0.3
70.62469	0.6
71.05000	0.6
78.04705	1.8
79.05488	0.7
81.03413	0.8
81.07035	0.3
85.27374	0.3
88.90570	0.3
89.03918	33.2
90.04256	0.5
91.05465	2.5
93.07059	1.1
95.04981	0.6
98.97594	3.5
98.98434	1.4
103.05479	1.6
105.07026	0.4
106.04183	3.1
107.04963	0.4
107.08613	0.5
109.02905	0.4
115.05431	0.5
116.98633	1.8
117.03379	63.9
118.03688	0.8
118.06518	1.1
119.04942	0.7
119.08546	0.3
120.08063	0.3
121.02856	0.4
121.06495	1.0
121.10149	0.6
124.05216	0.7
129.04440	0.4
131.04901	0.6
131.08588	0.5
132.04453	2.0
132.08090	3.5
133.02786	0.5
133.10107	0.3
134.03630	7.5
134.99644	0.6
135.04417	3.6
135.11713	0.3
142.06522	0.9
145.02847	100.0
146.03186	1.2
147.04355	0.3
149.02338	0.9
149.05981	20.2
158.06021	0.5
159.11702	0.6
160.07581	19.4
162.03122	1.0
163.03906	1.2
166.61870	0.3
177.05467	33.2
177.08914	1.1
177.10358	2.5
177.12660	0.7
178.05814	0.5
178.08528	0.4
186.05492	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	176.1435
Annotation	Nigrifactin
Peak:m/z	Relative Intensity
55.05504	0.2
56.96559	0.4
64.39997	0.2
69.55019	0.6
69.55425	0.4
79.05479	0.3
81.03420	0.2
87.15680	0.2
88.55891	0.1
89.03909	0.7
91.05471	0.6
95.08594	0.3
98.18208	0.2
98.97578	0.2
98.98444	0.2
105.07027	0.4
106.06548	0.3
106.07339	0.2
107.08586	0.2
117.03406	1.0
118.06545	19.6
119.07304	0.7
119.08572	0.4
120.08109	0.4
120.08895	0.2
121.10136	0.2
130.06511	0.4
131.05449	0.2
131.08563	0.2
132.08098	6.3
133.08867	2.2
134.09653	1.0
134.10510	0.3
135.04404	0.2
145.02841	1.7
146.09641	6.1
146.10789	0.3
147.10414	1.1
149.05951	0.4
160.11230	1.4
161.04698	0.4
161.11946	0.6
176.07111	1.9
176.14343	100.0
177.05460	0.5
177.09000	0.2
177.14731	1.4
199.06453	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	176.058
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96566	5.2
63.55544	1.5
65.03941	1.7
69.03409	1.7
70.06587	4.6
71.52512	2.2
72.08143	2.6
74.97519	1.6
78.04687	2.5
79.05484	2.4
81.03419	2.4
84.38923	1.6
89.03918	32.6
91.05476	4.6
93.07002	1.8
98.97585	20.5
98.98493	3.4
103.05444	2.8
106.04126	2.1
106.52127	4.1
107.08662	1.7
115.52638	7.6
116.97247	4.4
116.98618	18.6
117.03381	58.7
117.35670	1.5
118.06579	2.3
119.08633	2.0
120.08117	3.9
120.08937	3.6
121.06495	3.3
127.03442	2.4
130.06538	15.4
130.12274	2.1
131.06879	2.7
132.02170	1.9
132.04440	2.1
132.08102	3.3
133.05171	1.8
134.03651	6.3
134.10524	2.1
134.99652	8.4
135.04439	3.8
145.02843	100.0
148.07561	4.2
149.02377	2.6
149.05986	19.4
152.96941	1.5
155.54469	2.2
158.06006	5.0
158.07962	5.4
160.07590	9.8
161.04735	6.8
164.55058	3.5
175.98515	2.3
176.07045	30.9
176.10602	3.4
176.14212	7.4
177.05467	33.8
177.09053	2.7
177.12715	2.6
186.79410	1.5
195.08768	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	176.0109
Annotation	Unknow
Peak:m/z	Relative Intensity
59.12070	0.9
70.41491	3.3
70.41859	1.5
132.02118	100.0
133.02466	1.4
176.01115	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	176.0201
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02371	1.8
53.03709	2.1
53.03947	27.0
53.38144	1.4
55.05509	17.0
56.96550	2.4
58.99578	5.3
59.96730	2.1
60.05640	1.7
61.00882	2.2
61.01154	25.4
62.99075	10.6
65.00643	10.0
65.03929	4.0
67.04217	1.9
67.05492	4.3
68.05016	7.0
69.03414	6.8
69.07062	5.2
70.04200	2.1
70.06591	7.5
71.04981	5.2
71.06914	5.8
71.52717	2.8
71.59308	1.7
71.73978	1.4
71.99095	10.8
73.01123	2.8
75.02707	3.6
78.03458	13.3
78.05708	1.5
78.96777	2.8
80.05028	3.7
81.06599	1.7
81.07069	2.0
82.99561	3.6
85.01128	48.0
87.02698	36.7
87.10173	1.7
88.58394	1.6
89.00620	2.6
89.03912	3.8
91.05478	6.9
92.05802	3.9
96.04494	62.2
96.08984	2.2
98.97573	3.1
98.98460	3.4
100.02203	2.0
101.02991	4.5
101.04259	13.3
103.02179	31.7
104.02964	2.1
105.07015	6.1
106.07342	5.1
107.08589	1.9
112.02196	100.0
113.02995	2.5
113.07143	2.0
117.03766	14.5
117.07462	1.8
118.06525	6.4
118.07306	2.6
119.08601	6.8
120.08153	2.6
120.08910	13.0
122.64619	1.8
130.06523	24.6
133.10109	3.8
134.10440	12.9
145.02847	10.8
148.07611	2.4
148.12068	2.1
149.05997	2.3
157.99146	1.6
158.06000	8.5
161.04773	4.4
161.05983	2.1
176.02007	77.7
176.04567	4.8
176.06978	23.8
176.15375	20.7
177.05490	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	175.1483
Annotation	Ionene
Peak:m/z	Relative Intensity
53.03944	1.2
53.59812	0.8
55.05518	5.7
56.96563	1.0
57.07083	1.4
60.05653	1.8
63.00489	0.7
63.92071	0.7
65.03927	1.2
67.05496	3.2
69.03426	1.3
69.07068	13.6
69.19971	0.7
69.31403	5.0
69.31818	1.3
70.06594	6.3
70.39944	0.7
72.96396	0.7
79.05502	3.9
81.07059	21.5
83.05001	0.9
83.08627	4.0
85.02933	0.8
91.05480	18.2
93.07051	8.2
94.82807	0.8
95.08609	15.9
96.07709	0.7
97.02888	2.4
98.98471	10.8
100.60514	0.8
103.05478	1.2
105.07035	37.9
107.08601	7.7
110.97530	1.0
111.04434	1.0
112.07578	1.3
115.05459	1.5
115.08344	0.8
116.07106	1.1
117.07015	3.3
119.04949	2.2
119.08587	75.6
120.08961	1.1
121.10139	2.3
125.02329	0.8
127.03932	0.8
129.07019	1.7
130.06541	0.7
131.08568	5.6
132.09341	1.0
133.06491	3.4
133.10135	100.0
139.03839	1.1
145.10144	4.2
146.10938	1.5
147.04393	2.8
147.08052	2.5
147.11699	13.2
157.10205	1.8
160.05209	0.9
160.12450	2.2
164.49965	0.7
173.13319	1.6
175.03886	2.6
175.07457	4.5
175.11166	7.1
175.14832	95.8
176.15277	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.1482
Annotation	Ionene
Peak:m/z	Relative Intensity
54.14079	0.9
55.05513	7.6
56.01397	1.4
60.05652	8.5
69.07067	19.7
69.50732	6.5
69.51074	1.5
70.06593	20.0
79.05479	1.5
79.43808	0.9
81.07059	4.7
83.08636	4.4
86.16937	0.9
91.05482	8.5
93.04075	0.9
93.07034	4.1
95.04993	1.0
95.08640	4.4
98.98470	6.2
105.07036	19.2
107.08582	3.9
116.07111	5.6
117.07019	2.2
119.08582	72.1
121.10149	3.1
130.09746	2.0
131.08580	3.0
131.37340	0.9
132.97475	1.7
133.10130	63.1
145.10130	3.8
147.11676	8.5
157.07600	2.4
158.09254	1.4
160.12474	2.9
173.13242	1.3
174.97314	6.4
175.03889	1.2
175.07574	1.4
175.11862	5.5
175.14830	100.0
176.15201	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.1119
Annotation	4,7-Dimethyl-1-tetralone
Peak:m/z	Relative Intensity
53.03941	1.1
55.05497	2.7
56.96555	2.0
57.03439	100.0
60.05659	9.5
65.03899	1.2
66.18600	0.9
67.05497	1.6
69.03397	4.0
69.07078	5.6
70.06594	21.8
76.67497	0.9
79.05470	2.6
81.07052	6.4
83.04962	1.5
85.02882	2.7
87.04437	1.1
91.05487	22.6
93.07011	3.1
95.04944	1.7
95.08568	3.7
97.02917	6.2
98.03652	1.8
98.20775	1.8
98.98473	32.4
105.06401	1.2
105.07030	17.8
107.08572	2.2
109.10120	1.1
111.04448	2.3
115.03900	1.8
115.05383	2.9
116.07093	7.5
117.06972	4.2
119.04881	3.5
119.08588	89.3
125.02287	2.2
127.03876	2.1
129.06953	3.6
130.09723	2.1
131.08525	3.5
133.06505	1.8
133.10133	35.0
139.03870	2.0
142.07742	2.8
145.06474	1.7
145.10063	1.7
146.07228	3.6
147.04390	6.4
147.08032	6.1
147.11693	9.6
151.93713	1.8
157.10080	3.7
158.09210	2.5
160.05121	1.9
160.08713	1.1
160.12477	1.1
175.03830	2.9
175.06021	1.9
175.07509	6.7
175.11125	45.1
175.13214	2.1
175.14822	30.5
176.06956	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.1118
Annotation	4,7-Dimethyl-1-tetralone
Peak:m/z	Relative Intensity
55.05479	1.3
56.96565	11.3
57.03440	100.0
60.05635	2.9
67.05489	1.0
69.07046	0.9
69.76012	4.5
70.06606	6.4
72.58266	0.7
79.05460	1.4
80.34199	0.7
81.07039	2.4
85.02895	1.3
91.05485	8.1
93.07026	1.7
95.04992	0.7
95.08582	1.3
97.02872	1.9
97.10123	1.0
98.98471	16.6
102.96979	0.8
105.07042	5.3
105.28262	0.8
107.08609	0.8
111.04375	0.8
115.03954	0.9
116.07067	2.0
117.07005	4.0
119.08585	49.0
124.99045	0.9
129.05635	2.4
129.07001	1.3
130.09749	1.3
131.08516	0.9
133.06473	1.5
133.10104	3.9
134.04866	1.9
138.06136	1.2
142.07733	1.5
143.00107	0.9
143.05412	4.5
146.07259	1.3
147.04364	1.6
147.08018	3.3
147.11691	3.7
152.05960	4.3
157.10077	2.3
163.56686	1.1
175.03914	1.1
175.07500	0.8
175.11151	30.2
175.14748	4.3
176.07114	0.9
179.03775	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	173.1327
Annotation	Unknow
Peak:m/z	Relative Intensity
51.90587	0.6
55.05511	10.5
56.96569	1.1
59.04990	2.1
60.04524	0.6
67.05507	3.7
69.07060	0.9
69.22869	3.7
69.23287	1.4
69.96152	1.7
71.04987	0.9
71.94091	0.8
72.08167	3.9
72.93777	5.2
73.02894	0.8
79.05492	2.4
81.07070	3.2
83.04978	11.9
84.04504	0.7
85.02914	0.8
85.06557	1.3
85.87894	0.5
87.04437	1.6
89.02389	1.1
90.90381	1.3
90.94830	4.6
91.05483	6.7
93.07031	0.9
95.04962	0.7
95.08620	1.5
97.02906	1.3
99.04461	1.2
101.06021	9.4
103.03270	1.3
105.07031	7.0
108.95842	1.2
109.10146	1.3
111.04453	14.4
113.06007	2.0
113.96391	0.8
115.05434	1.4
116.06250	1.4
117.07032	5.4
119.08591	11.8
127.07545	1.8
127.09494	0.9
128.07051	0.6
129.05545	3.4
129.06998	7.6
130.06583	0.6
130.07767	1.7
131.08572	45.7
131.96165	7.2
133.10110	2.2
137.05968	0.6
142.07785	0.9
143.08563	20.1
144.08156	1.2
144.09332	7.0
145.06465	1.5
145.07631	1.1
145.10126	22.5
149.94081	1.1
149.96062	2.0
149.97208	6.5
154.97731	1.7
155.03448	0.7
155.05952	0.5
155.07043	10.7
155.08307	1.1
155.11797	0.8
156.09331	0.7
157.10095	1.5
158.07317	0.8
158.10913	28.4
167.97165	2.1
171.11702	2.4
172.98828	1.8
173.04536	1.0
173.05873	1.3
173.08168	19.6
173.13260	100.0
174.07669	1.4
174.13777	0.8
194.17151	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	173.1326
Annotation	1,1,5-trimethyl-1,2-dihydronaphthalene
Peak:m/z	Relative Intensity
53.03927	0.5
55.05279	0.7
55.05512	9.4
56.96545	0.5
59.04985	1.2
60.04512	0.7
65.03942	0.9
66.71705	0.5
67.05507	3.7
68.54397	0.5
69.03442	0.5
69.07056	0.8
69.96173	0.9
70.06574	0.7
70.95840	0.4
71.04989	0.7
72.08155	3.9
72.93789	2.7
75.70574	0.4
76.02227	0.8
79.05480	1.8
81.07059	3.5
83.04986	7.8
85.02876	0.7
85.06554	1.0
87.04466	0.7
89.02385	0.6
90.94823	3.7
91.05477	7.1
93.07063	0.6
95.04962	0.6
95.08596	1.1
97.02895	1.8
98.21506	1.4
99.04435	0.7
101.06015	7.2
102.70341	0.4
103.03270	0.8
105.07033	8.2
107.08586	0.5
108.95852	0.6
109.10158	1.0
111.04449	13.5
113.06003	1.6
113.96394	0.6
115.05463	1.8
116.06233	1.5
117.07025	4.0
119.08584	13.3
127.07548	2.0
128.06248	1.2
129.05487	3.3
129.06998	8.0
130.07813	2.3
131.08563	45.7
131.93053	0.6
131.96140	2.1
132.95869	0.4
133.10112	2.1
137.06042	0.6
143.08560	18.7
144.08144	0.9
144.09340	6.7
145.06451	0.8
145.07613	0.7
145.10129	22.2
149.94075	0.9
149.96138	1.0
149.97188	2.0
155.07043	8.6
155.08298	0.8
155.08876	0.4
155.11774	1.1
156.09366	0.9
157.10132	1.3
158.10912	32.3
159.08099	0.6
167.97165	1.4
171.11711	1.6
172.98912	0.6
173.05884	1.4
173.08150	16.4
173.13255	100.0
174.07651	0.9
174.13622	1.7
180.71460	0.4
189.48805	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	173.1327
Annotation	1,1,5-trimethyl-1,2-dihydronaphthalene
Peak:m/z	Relative Intensity
51.85930	1.5
53.03935	2.1
54.73058	1.6
55.05512	20.3
56.96555	4.0
59.05013	1.7
60.04517	3.2
65.03940	2.2
66.44675	1.5
67.05520	7.8
69.03416	1.9
70.42012	4.0
72.59890	1.4
72.93787	14.9
72.95402	1.4
79.05493	10.0
81.07055	9.5
82.40055	1.6
83.04990	19.8
84.04498	2.3
90.90384	1.9
90.94831	11.4
91.05486	39.4
93.07054	3.4
95.04942	2.0
95.08603	4.4
97.02917	7.7
98.97575	1.7
99.04433	1.9
101.06015	12.5
103.05456	3.8
105.06322	1.8
105.07032	33.7
109.10145	1.8
111.04439	27.4
113.05952	1.8
113.96397	2.4
114.05526	3.8
115.05457	7.6
116.06225	7.2
117.07025	14.2
119.08585	28.6
127.07557	2.7
128.06239	11.7
129.04617	1.7
129.05484	5.8
129.07021	38.3
130.07797	12.3
131.08577	72.7
133.10094	8.9
142.07771	4.6
143.08568	88.1
144.09367	18.7
145.10130	42.0
149.96115	5.4
149.97215	2.5
150.96901	1.6
155.07079	15.6
156.09369	4.4
157.10139	3.9
158.10918	68.7
167.97174	3.4
171.11655	1.9
173.05956	2.9
173.08176	30.2
173.09657	2.0
173.13266	100.0
174.07642	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	171.0167
Annotation	Unknow
Peak:m/z	Relative Intensity
69.69011	100.0
70.68785	14.5
80.05190	16.1
115.30911	19.2
117.78371	14.8
159.06151	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	171.0453
Annotation	Unknow
Peak:m/z	Relative Intensity
51.00873	0.8
53.03935	1.1
55.01873	4.3
55.05516	3.8
55.67249	0.7
56.05024	1.0
56.96566	12.0
57.03441	5.8
58.99866	1.9
59.04988	1.7
60.01405	1.4
61.02918	2.6
63.18663	0.7
65.03918	0.8
67.02164	2.1
67.05502	1.5
68.02647	1.4
68.05028	0.7
68.99775	2.8
69.01929	4.0
69.03422	3.8
69.88963	3.4
69.89333	1.7
70.06586	5.3
70.99859	2.1
71.01367	0.9
71.04987	5.5
71.95247	1.0
72.04522	4.6
72.08155	6.3
73.02921	2.4
75.04489	1.8
76.02699	3.0
76.52711	0.9
77.00895	0.9
77.22811	0.9
78.52953	3.7
79.02155	1.0
79.05486	1.4
79.51918	1.1
81.01919	3.4
81.03416	8.3
82.01445	8.2
82.99847	3.6
83.04975	3.8
83.08652	1.4
84.04494	3.1
84.08138	1.9
84.96021	0.8
84.99269	3.4
85.01424	1.1
85.02888	6.6
85.51917	2.3
85.53728	1.7
86.03709	2.4
86.52715	1.8
87.04469	3.3
87.53490	1.1
88.02670	0.9
89.05997	1.3
89.07149	3.4
90.52943	2.3
91.02463	1.3
92.52702	1.5
94.00825	0.7
95.01643	7.2
95.03460	2.6
95.04973	1.1
96.02406	0.9
97.02882	3.9
97.99181	1.9
98.00642	10.5
98.06030	0.9
98.20895	1.1
98.52693	1.0
98.97592	7.4
99.04458	3.4
99.53478	4.5
100.00105	2.7
100.00781	1.5
100.02493	15.1
100.03513	1.0
100.05230	6.0
100.07648	1.0
100.52387	1.4
101.00210	1.3
101.00884	27.7
101.02489	0.8
101.53208	0.8
102.00989	2.3
102.02293	2.4
103.00674	1.0
103.01373	2.3
103.02423	1.9
104.02152	2.9
104.52687	2.3
105.51666	4.9
106.52452	1.2
106.53301	0.9
107.53205	1.9
108.01577	0.8
108.53963	1.2
109.01372	57.6
109.02847	4.8
109.07655	1.3
109.51449	7.3
109.52939	1.4
109.99174	1.0
110.01279	2.1
110.02167	2.1
110.07204	0.9
110.08428	11.0
110.97553	4.1
111.04470	4.3
111.09205	18.7
111.53439	2.0
112.52431	1.9
112.99178	0.8
113.00142	0.8
113.00840	4.3
113.53216	5.1
114.03326	1.3
114.04048	2.9
114.05526	2.1
114.52169	5.3
115.02448	5.2
115.04025	1.0
115.52975	1.7
115.53874	2.7
116.00239	1.1
116.02128	5.8
116.52203	1.2
116.98615	3.5
117.01888	2.3
117.02887	0.9
118.01133	3.0
118.01889	32.5
118.03561	4.9
118.51205	1.1
118.51932	3.8
119.01925	37.6
119.02677	2.1
120.01975	1.9
120.52170	7.6
120.53977	9.7
121.01646	1.0
121.04085	2.7
121.52940	19.7
122.03031	2.2
122.53699	1.8
123.01689	2.1
124.02486	2.7
124.54420	1.6
125.02655	6.5
127.01563	2.0
127.04214	1.0
128.00229	1.8
128.02319	3.8
128.98618	4.1
129.00359	1.0
129.02092	2.3
129.03955	2.2
129.52646	3.1
129.54489	11.1
130.01753	1.8
130.04546	2.3
130.53458	10.4
130.54356	1.1
131.00209	0.9
131.01910	9.3
131.03531	1.6
132.05058	2.3
133.03471	11.8
134.03593	1.0
134.99670	1.6
135.03169	1.0
136.02351	1.0
136.53375	0.9
137.02997	5.5
138.02266	0.8
138.55020	30.3
139.00305	4.6
139.02635	0.9
139.03957	1.9
139.05116	6.0
139.08667	100.0
139.53102	2.3
139.54939	2.7
140.03204	1.0
141.02702	8.9
142.03575	7.4
143.00188	0.9
143.01898	1.9
143.03452	1.7
144.05038	0.8
145.03540	3.9
145.48860	0.8
146.01280	1.6
146.99649	1.7
147.01396	2.0
147.03162	4.9
147.05046	3.3
147.55537	12.5
148.01602	1.5
148.02737	2.9
148.05615	2.2
148.55556	1.2
149.01157	1.5
149.02852	1.1
149.03842	1.3
150.05791	1.2
151.04503	1.6
151.09737	0.7
153.07454	1.3
154.03496	2.9
154.08635	2.5
156.05092	1.2
156.06387	0.8
157.01280	1.2
157.03459	2.8
159.04947	0.8
160.04724	2.4
160.06589	0.8
161.02969	2.5
167.01941	0.8
168.05045	1.3
170.99065	1.6
171.01395	2.8
171.02977	3.2
171.05063	4.5
171.06885	3.0
171.08672	1.1
171.09810	8.4
171.11302	30.4
171.14919	4.1
173.02965	1.4
174.06194	1.2
175.00890	2.9
175.04457	1.9
185.03008	1.9
189.00180	0.8
189.02461	3.1
189.04401	1.2
189.06090	1.9
189.10832	1.3
191.03928	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	171.0168
Annotation	Unknow
Peak:m/z	Relative Intensity
70.63512	100.0
70.63857	80.7
72.33340	50.7
85.54393	48.4
93.56547	52.3
98.21430	73.3
102.24042	47.8
118.94228	52.4
140.07426	62.6
171.01712	77.3
175.24634	61.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	170.0813
Annotation	6-HYDROXYDOPAMINE
Peak:m/z	Relative Intensity
54.03443	0.8
55.05513	1.1
56.05038	3.9
56.96562	1.6
67.91879	0.6
68.05021	2.3
69.03423	3.1
69.05804	0.9
69.07065	0.7
70.02953	0.8
70.06596	55.7
70.90556	1.0
71.04993	1.1
73.02924	0.8
79.05497	5.0
80.05025	1.6
80.85067	0.7
81.60554	0.6
82.06572	2.1
84.04493	1.9
86.06033	0.8
87.04474	1.6
94.06567	2.2
96.08134	27.7
106.06560	13.6
108.08121	4.4
114.05538	1.2
114.09187	10.0
114.96284	0.7
124.07597	68.1
125.08385	4.3
128.07104	1.3
135.38846	0.7
142.08641	27.6
152.07079	1.6
170.08131	100.0
170.11711	1.8
170.19534	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	169.0544
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03465	0.5
55.04251	1.1
55.05508	0.7
56.96563	1.7
57.04562	3.8
57.07071	0.4
62.93822	0.4
63.00065	0.4
65.03945	1.0
67.05485	1.1
68.05001	0.5
69.04552	1.7
69.07081	0.7
71.04976	0.6
79.05494	0.8
81.03421	0.8
81.04517	0.6
81.07045	2.5
82.05337	0.6
83.06110	2.0
85.02881	0.4
86.00661	4.1
93.03387	1.3
93.07046	1.3
95.04997	0.8
95.08597	1.3
96.05622	7.5
97.06502	0.8
98.07188	1.0
101.01730	0.8
102.03382	0.7
105.07005	0.5
107.08582	1.3
109.02917	1.6
109.06516	1.4
109.10166	1.1
110.07171	60.4
111.00779	0.7
111.03791	0.5
111.04507	2.3
111.07972	63.5
112.08300	0.4
113.01720	76.2
114.02095	0.5
115.03262	0.9
115.05464	0.6
118.31889	0.4
119.00198	0.7
123.04453	0.9
123.08084	1.0
123.11714	0.6
124.04686	1.7
125.06011	0.6
125.08260	2.1
126.03154	1.2
137.02335	0.7
138.01233	1.2
141.05455	3.3
141.07019	1.2
142.04353	9.6
146.04181	0.8
151.03926	0.7
151.11197	2.0
152.03468	5.5
154.03033	0.6
168.04469	0.5
169.05438	100.0
169.10103	1.2
170.05734	0.8
170.09602	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	169.0497
Annotation	2,6-Dimethoxybenzoquinone
Peak:m/z	Relative Intensity
53.03941	0.6
54.02980	0.4
55.01873	0.7
55.05507	0.7
56.96562	0.9
57.62092	0.4
58.38052	0.4
61.82063	0.4
65.03951	0.8
67.05507	0.8
67.78867	0.4
68.05872	0.4
68.99780	2.5
69.03426	1.1
69.07066	0.7
70.06586	1.4
71.04988	0.5
71.06940	0.7
71.17122	0.6
79.05478	0.5
81.03427	1.1
81.07050	1.6
83.04984	0.7
85.02865	0.4
92.05819	0.6
93.03368	0.7
93.07025	0.5
95.04969	0.9
95.08621	0.6
97.02872	0.8
98.03666	2.6
99.04443	0.5
109.02856	2.0
109.06520	0.9
109.10174	0.6
111.00812	20.6
111.04467	1.4
119.00175	0.4
123.04449	0.7
123.08048	1.0
123.11732	0.6
124.04636	1.2
125.05949	0.4
126.03146	24.9
133.10185	0.5
135.03123	0.5
139.55345	0.4
141.05473	100.0
142.05852	0.8
151.03912	1.3
151.51543	0.4
152.03392	0.7
169.04977	63.0
169.07547	2.6
169.14203	1.4
174.33049	0.4
181.73763	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.1545
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.5
55.01882	1.0
55.05509	1.1
56.96563	1.8
64.52440	0.4
65.03947	1.5
67.05512	1.8
68.05037	2.6
69.03434	0.6
69.07069	0.6
70.06596	2.2
71.02665	0.5
71.03015	0.7
72.08159	100.0
73.08489	0.4
78.04723	0.9
79.05491	2.3
80.05019	1.5
80.24496	0.4
81.03416	0.6
81.07068	1.5
83.04987	1.4
84.96042	1.1
84.99586	0.3
85.03445	0.4
91.05505	1.0
93.03416	1.5
93.05817	0.5
93.07047	2.7
95.04973	1.5
95.08610	0.6
96.08136	21.9
97.06553	0.7
98.09714	1.3
103.00629	1.9
105.07041	1.4
106.04175	0.7
106.52142	1.1
107.04951	1.2
107.08588	2.5
108.08130	2.9
109.06558	1.5
111.04456	1.3
111.05588	0.4
111.08112	0.6
115.52661	1.5
118.06536	0.5
120.39375	0.3
121.01669	5.1
121.02542	0.4
121.02943	0.8
121.06527	1.1
121.08897	1.6
121.10149	2.8
122.09680	11.2
123.04441	2.2
124.05230	1.5
125.06049	0.6
126.02295	0.4
131.08566	0.6
135.03192	0.4
139.02847	0.8
139.03908	20.9
139.07532	2.6
144.03195	3.7
146.09634	0.4
146.10696	0.5
149.02399	1.5
149.06010	0.7
149.07124	0.7
149.09637	1.3
150.05551	0.6
150.12787	25.9
151.03923	0.6
151.13148	0.4
152.04730	1.6
155.54518	0.5
162.04324	0.8
167.03413	1.9
167.05623	0.5
167.07048	11.0
167.08286	0.6
167.10675	1.2
167.11879	3.7
167.14090	0.5
167.15448	6.9
167.61989	0.4
170.30315	0.4
176.14302	1.8
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	beta-fenchocamphorone
Peak:m/z	Relative Intensity
53.03928	4.2
53.49708	1.3
55.01853	2.4
55.05516	19.9
56.96551	4.0
57.03424	6.0
57.07072	5.1
59.04996	6.4
63.47025	1.4
65.03946	23.2
67.05509	33.7
68.13139	1.2
69.03427	8.2
69.06719	2.1
69.07070	21.2
69.28366	11.2
69.28770	1.8
71.04605	2.1
71.04996	41.1
73.06180	1.5
73.06561	18.0
78.04696	4.0
79.05492	22.8
81.03422	2.3
81.06592	2.4
81.07058	41.2
83.04990	12.7
83.08617	10.9
84.96021	4.2
85.06521	4.7
87.08073	1.4
91.05465	13.1
93.03410	15.7
93.07047	48.3
95.04956	4.3
95.08611	100.0
96.05740	1.5
97.02908	1.4
97.06522	7.9
97.10182	2.0
98.20782	2.6
103.00637	5.9
105.04512	1.5
105.07030	6.6
106.04174	1.7
107.04967	4.1
107.07879	3.0
107.08596	57.5
109.02905	2.1
109.06491	3.8
109.10156	24.2
111.04441	3.0
111.08094	6.7
115.52670	1.3
121.01661	15.9
121.02894	7.9
121.06483	5.0
121.08459	1.4
121.09330	2.3
121.10149	33.1
122.03584	2.1
123.04466	10.0
123.08066	3.1
123.11702	9.9
124.05204	6.8
125.02351	5.9
125.05990	1.9
125.09607	7.3
131.08534	1.7
135.04405	1.5
139.02737	2.6
139.03886	3.5
139.07555	10.0
139.11143	1.3
144.03220	15.1
149.02347	13.9
149.06004	2.2
149.09569	3.8
149.13269	36.6
150.05420	1.8
151.02559	1.9
151.03876	2.6
152.04668	2.1
162.04294	4.5
167.03452	7.7
167.05682	2.1
167.07037	51.7
167.08395	2.4
167.10652	6.9
167.14334	19.7
169.03372	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	167.1068
Annotation	(E)-Lyratic acid
Peak:m/z	Relative Intensity
53.03939	3.6
55.01867	1.6
55.05513	10.0
56.96570	3.8
57.07066	1.9
59.05014	4.3
65.03944	8.3
67.05511	9.0
67.30492	0.7
69.03433	4.0
69.07071	36.9
69.39527	5.6
71.05009	0.9
77.03931	1.3
78.04716	2.6
79.05493	17.7
81.03429	1.1
81.07058	12.1
83.04980	4.9
83.08613	2.2
84.96049	1.6
91.05485	10.9
92.02619	0.7
93.03407	6.6
93.07045	69.3
95.04984	1.9
95.08607	11.2
96.04512	4.7
97.02932	0.9
97.06543	6.2
97.10123	1.0
98.06065	0.8
98.20721	1.3
103.00645	3.1
103.05490	1.8
105.04473	1.4
105.07032	14.5
106.04186	1.2
106.07845	1.1
107.04964	2.7
107.08588	4.9
109.02877	1.0
109.06516	2.4
109.10191	2.3
111.04451	1.5
111.08047	0.9
111.11720	7.6
115.04145	1.2
119.08568	3.6
120.02016	1.1
121.01670	7.8
121.02874	3.3
121.06519	2.4
121.10146	100.0
122.03635	1.0
123.04461	4.2
123.08085	4.4
124.05207	2.3
125.02366	1.6
125.05979	1.6
125.09615	1.0
126.05530	1.7
127.03899	1.0
131.08612	0.8
133.07610	1.9
138.05502	5.5
139.02753	1.6
139.07524	5.1
139.11192	4.5
140.48674	0.9
144.03268	6.6
149.02345	5.5
149.05971	1.1
149.09625	17.3
152.04695	1.5
162.04335	1.2
167.03401	3.5
167.05693	1.0
167.07043	25.2
167.08380	2.0
167.10674	44.7
167.14323	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.0565
Annotation	7-Methylxanthine
Peak:m/z	Relative Intensity
51.93387	0.5
52.17598	0.4
53.03943	0.9
55.01851	0.7
55.03007	0.6
55.05506	1.5
56.05043	0.5
56.96566	7.3
57.03427	1.1
57.56242	0.4
61.02938	0.5
63.07605	0.5
67.05502	1.1
69.03423	1.4
69.04567	2.5
69.07064	0.7
69.42290	3.3
71.04987	0.6
72.08141	1.2
73.06562	1.1
74.97565	0.6
75.88137	0.4
78.26747	0.4
79.05495	4.4
81.03434	1.5
81.07074	0.5
82.04064	0.8
82.06611	0.6
83.04984	1.1
84.08147	0.6
84.96043	1.8
84.99605	1.2
85.02915	1.0
91.05468	0.9
92.98682	0.7
93.07042	1.9
94.04060	3.0
95.04961	0.8
96.05621	7.6
97.02900	1.1
98.01288	0.6
98.07182	0.6
98.97559	3.0
99.01950	1.3
99.04417	0.6
99.61369	0.5
103.00642	15.8
103.01289	0.8
106.52114	4.1
107.04927	2.6
107.08590	1.1
107.97614	0.8
108.04547	0.5
108.05222	2.2
108.08138	0.5
109.02893	0.6
110.01256	0.6
110.07224	0.6
110.97569	0.6
111.02077	0.6
111.04476	0.5
111.05585	0.6
111.08058	0.5
112.07658	0.6
114.53133	0.4
114.95284	0.5
115.52641	5.8
116.98657	0.7
119.01826	0.9
120.02031	1.3
120.08140	0.8
121.01676	28.5
121.05111	1.3
121.06551	1.3
121.07696	0.7
121.08444	3.4
121.10155	1.0
122.06036	1.1
123.04452	1.2
123.06676	5.9
123.53627	1.0
124.05086	26.5
124.07635	1.2
125.05991	0.7
125.98678	1.1
126.02222	2.7
126.03036	0.9
135.03195	1.5
135.04355	0.7
139.02722	6.2
139.03883	1.5
139.07538	3.8
139.08580	0.6
142.06134	2.1
143.00165	0.5
143.03621	0.9
143.99706	1.2
144.03221	26.1
145.03609	0.6
147.03278	1.3
149.02303	1.2
149.04620	4.3
149.07059	0.6
149.09575	0.5
150.05499	1.5
150.09135	0.6
153.04231	1.1
154.05008	1.7
155.04630	3.1
155.54564	1.2
158.06711	0.5
158.99728	0.7
162.00703	0.7
162.04294	5.4
164.05144	0.7
164.55008	0.6
167.05670	100.0
167.06924	4.7
168.06017	0.6
177.00761	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	166.1228
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.5
55.05508	5.2
56.05037	1.0
56.96570	9.9
58.60692	0.6
63.37895	0.6
65.03955	0.8
67.05506	2.7
68.05036	2.8
68.69976	0.6
69.03432	29.4
69.07063	1.7
69.75697	2.0
69.76095	1.3
70.03764	1.3
70.06591	16.3
71.05012	0.7
79.05499	11.6
80.05011	0.7
81.07057	40.9
82.06595	1.6
83.08619	1.0
83.93002	1.1
84.01205	1.2
84.04517	2.7
84.08143	2.1
86.06069	35.9
92.51626	0.6
93.07032	1.1
94.06587	1.5
96.08134	22.8
98.06056	100.0
98.09693	1.3
101.00876	1.6
101.96304	1.1
102.00958	4.4
102.02236	7.2
107.04904	1.0
109.08938	0.8
110.06042	0.7
110.09639	0.6
110.96783	2.9
112.07602	20.3
119.01928	5.1
119.97323	9.1
120.02002	11.2
120.03291	2.5
120.05267	1.0
120.08121	5.4
121.01674	1.4
121.06486	3.6
121.10077	0.6
122.03136	1.0
124.07593	72.2
125.02537	1.7
128.97852	11.5
131.48112	5.4
136.07573	0.8
137.02907	1.6
137.98376	6.1
138.03020	1.9
138.05508	1.4
138.09123	1.5
138.12743	0.9
139.02638	0.6
139.07535	0.9
140.48624	6.6
140.98598	0.7
142.03481	1.9
142.96704	4.3
143.03613	11.1
144.03238	1.4
148.03833	0.9
148.07607	1.0
148.11192	2.0
149.49164	2.4
151.99428	0.8
160.04556	1.1
161.01263	0.7
161.04674	3.2
166.05037	5.2
166.08656	6.8
166.09868	1.0
166.12263	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	165.0549
Annotation	4-Coumaric acid
Peak:m/z	Relative Intensity
53.03943	0.5
55.01877	0.4
55.05514	0.9
56.96566	0.5
57.03430	1.0
61.02922	0.9
61.84942	0.3
65.03945	1.2
65.46978	0.3
67.05506	0.5
67.48080	0.3
69.03437	4.2
69.07071	0.5
69.29779	2.5
71.04989	0.5
79.05474	1.1
81.03417	0.9
81.07064	1.2
82.01448	0.4
82.99852	0.9
83.04996	1.6
85.02905	1.8
91.05484	21.3
93.07043	0.8
95.04965	1.8
95.08609	0.8
97.58253	0.3
98.21461	0.7
99.04454	0.7
100.02514	0.6
100.94584	0.3
101.00887	11.4
101.02536	0.8
103.05478	0.6
105.07019	1.9
107.04961	0.6
107.08607	0.8
109.06512	0.6
109.10121	0.6
111.04477	0.7
119.01065	0.5
119.01931	19.6
119.04946	44.7
119.08571	1.4
120.05249	0.5
120.08143	0.4
121.06480	0.4
121.10148	0.5
123.04449	1.9
123.08091	0.7
124.02453	2.3
129.05489	0.4
133.06499	0.8
134.07263	0.5
135.04424	0.4
137.02986	3.3
137.05988	0.7
137.09633	1.2
139.25945	0.3
142.02623	0.4
142.03506	19.4
147.04414	100.0
147.11682	0.6
148.04785	1.3
150.06764	1.5
157.62418	0.3
160.04559	4.1
165.05559	3.2
165.07713	0.6
165.09082	4.2
165.10347	0.5
165.12706	1.4
183.91951	0.3
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	Jasmone
Peak:m/z	Relative Intensity
53.03937	1.6
55.01869	1.9
55.05509	3.5
56.96556	1.9
57.03439	6.2
61.02929	4.1
62.05082	0.8
65.03928	1.2
67.05504	8.3
69.03430	20.9
69.03814	1.1
69.07065	0.8
70.11658	0.8
70.48732	1.7
70.49088	2.1
71.04983	3.2
72.51281	0.7
73.02915	1.7
79.05494	17.4
81.03413	3.0
81.07057	49.9
82.01443	2.0
82.99818	4.4
83.01519	2.3
83.04983	6.9
84.01236	0.8
85.02908	9.8
91.03911	0.9
91.05478	5.7
93.07038	3.3
95.04958	6.6
95.08608	10.0
98.02097	0.8
99.04498	3.8
100.02470	3.0
101.00881	41.1
101.02573	4.6
102.72028	0.9
103.03931	1.6
104.91913	0.9
105.07014	7.6
107.08595	29.0
109.06519	22.2
109.10164	1.8
110.67175	0.8
111.04433	3.2
118.03530	1.4
119.01924	96.2
119.03659	2.9
119.04878	4.2
119.08579	6.7
120.01958	1.1
121.10159	1.5
123.08070	38.9
123.11692	2.5
124.02433	12.1
124.04225	1.1
127.07552	17.7
129.05458	2.8
133.78719	1.0
137.02962	20.9
137.05939	1.3
137.09608	2.2
142.03500	100.0
143.03680	1.4
147.04414	12.4
147.06487	2.0
147.10519	1.1
147.11685	23.0
160.04562	20.8
165.05167	12.3
165.07541	3.4
165.09108	4.7
165.12756	50.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.051
Annotation	Unknow
Peak:m/z	Relative Intensity
52.06095	0.6
65.15801	0.6
69.03426	1.3
70.19656	1.7
70.69163	0.6
73.55984	0.6
82.01442	1.6
82.99845	10.3
83.04985	1.2
87.03831	0.6
100.02480	1.3
101.00884	66.7
102.00969	1.7
111.00472	0.9
119.01925	88.5
120.02096	1.3
123.04522	0.9
124.02459	15.9
137.02966	10.7
142.03505	100.0
143.03635	1.9
160.04564	14.4
165.05066	1.7
174.53787	0.7
176.36127	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0511
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96549	0.5
69.34624	4.0
71.81527	0.5
74.35987	0.6
82.01474	1.1
82.99847	9.7
87.66389	0.5
100.02485	1.3
101.00886	73.6
102.00993	1.6
103.80386	0.5
111.00404	0.9
116.52926	0.5
119.01925	91.2
119.13947	0.5
120.02008	1.1
124.02456	16.1
137.01974	1.0
137.02965	11.4
142.03505	100.0
143.03629	1.1
148.08760	0.5
151.99603	0.5
160.04553	14.1
165.05133	1.9
184.72202	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0549
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	0.4
55.01876	0.6
55.05503	0.9
56.96573	0.4
57.03441	1.8
61.02915	1.1
65.03936	1.2
67.05506	0.9
67.48429	0.3
69.03086	0.5
69.03431	5.6
69.07073	0.4
69.29570	2.5
71.04983	1.0
71.33649	0.3
79.05495	1.4
81.03419	1.2
81.07058	1.5
82.01474	0.4
82.99850	1.6
83.01539	0.3
83.04975	1.9
85.02901	2.0
91.05485	20.7
93.07043	1.1
95.04983	2.1
95.08606	1.5
98.21562	0.5
98.35403	0.2
99.04440	0.9
100.02483	0.9
101.00885	13.6
101.02573	1.3
103.05479	0.7
104.18264	0.3
105.07025	2.3
107.04980	0.4
107.08572	1.4
109.06531	0.6
109.10146	0.6
111.04450	0.7
119.01928	26.6
119.04942	44.4
119.08595	1.8
119.97373	0.3
120.02000	0.5
120.08092	0.4
121.06503	0.7
121.10120	0.9
122.07270	0.3
123.04433	1.7
123.05386	0.3
123.08060	0.9
123.11662	0.3
124.02450	2.7
129.05507	0.8
133.02814	0.5
133.06512	0.6
134.07263	0.4
135.04439	0.6
137.02959	5.0
137.05969	0.8
137.09616	1.2
142.03503	27.6
147.04413	100.0
147.11679	0.8
148.04745	1.5
150.06758	2.3
160.04570	5.5
160.10435	0.3
165.05481	3.3
165.07603	0.8
165.09082	4.8
165.12735	1.8
166.08534	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.051
Annotation	Unknow
Peak:m/z	Relative Intensity
59.95919	0.5
64.49006	0.5
70.06257	1.5
76.02834	0.5
82.01434	1.6
82.99835	12.5
90.93039	0.4
100.02477	1.2
101.00887	74.5
102.01004	0.5
111.00446	1.1
119.01927	98.7
120.02047	1.6
124.02464	15.2
124.03384	0.7
137.01990	0.8
137.02968	11.6
142.03506	100.0
143.03630	2.4
160.04558	15.1
165.05118	1.6
181.48499	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.1482
Annotation	Geijeren
Peak:m/z	Relative Intensity
51.02365	0.7
53.03937	2.9
54.41031	0.6
55.05522	4.3
56.96549	2.6
57.03422	1.6
57.07056	1.5
61.02917	0.9
63.02372	0.7
65.03928	0.9
67.05491	2.3
69.03416	1.9
69.06728	0.9
69.07069	12.3
69.95735	2.7
73.02902	0.7
77.03926	0.8
79.01881	0.6
79.05493	17.4
81.06592	0.9
81.07060	14.3
83.08595	2.8
84.95989	0.8
85.02380	0.6
85.02908	1.7
87.52578	0.9
89.03920	30.6
89.06035	1.2
91.05468	7.6
93.07046	22.6
95.04967	3.6
95.08055	1.3
95.08603	12.6
97.02866	0.8
98.97585	2.4
99.04459	0.9
100.02470	2.1
103.05466	35.3
105.03387	1.2
105.04523	1.1
105.07025	5.1
106.06514	0.7
107.04958	12.3
107.08596	64.4
109.06517	0.6
110.01261	1.4
110.97554	0.9
114.88352	0.7
115.05438	0.8
116.98624	0.7
117.03381	29.9
117.05569	1.1
117.07000	2.8
119.01770	2.4
119.06065	1.1
119.08563	2.7
121.02889	1.2
121.06498	1.0
121.10143	22.6
128.01270	0.8
128.02303	0.7
130.06549	1.4
130.52661	0.7
131.04932	49.3
132.08055	1.4
133.02844	3.3
135.04414	60.0
135.08046	1.3
135.11688	9.1
136.04756	0.8
136.07520	0.9
137.01819	0.8
145.02853	25.3
145.03903	1.0
145.06494	1.0
145.10120	2.6
163.03906	100.0
163.07542	13.8
163.11159	6.7
163.12384	1.3
163.14827	33.8
164.07030	1.3
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
50.97169	0.6
53.03955	4.2
55.01862	1.1
55.05513	5.1
56.87614	0.7
56.96558	2.3
57.03437	1.3
57.07072	2.6
61.02926	1.8
63.02369	0.9
65.03941	1.3
67.05493	2.4
68.99775	1.1
69.03423	1.9
69.07073	16.9
71.51986	1.2
73.02909	1.1
73.06521	0.7
75.60695	0.6
75.79765	0.7
77.03928	1.0
79.05498	18.6
81.03416	1.5
81.07058	14.6
83.08617	3.7
84.96030	1.2
85.02900	2.1
88.74423	0.8
89.03922	28.2
89.06030	0.8
91.05488	7.6
93.07046	26.0
95.04968	3.0
95.08608	12.0
98.97584	2.9
99.04411	0.8
100.02486	2.9
100.78147	0.7
103.05470	38.5
105.04510	2.1
105.07038	7.7
106.06525	0.8
107.04958	12.8
107.08601	76.3
109.02859	0.7
109.06535	1.7
109.10136	0.9
110.01304	0.9
115.05451	0.8
117.03384	26.9
117.07023	2.6
118.03501	1.4
119.01839	1.0
119.04925	1.1
119.08586	2.9
121.02861	0.9
121.06522	2.2
121.10154	28.2
130.06526	1.0
131.04933	53.8
133.02855	4.1
135.04424	63.6
135.08022	2.1
135.11685	12.7
136.04730	0.8
137.50850	0.8
139.53090	0.8
140.83430	0.6
145.02861	23.2
145.03963	0.9
145.06483	1.4
145.10114	2.1
145.19162	0.7
163.03914	100.0
163.07533	15.2
163.11176	8.0
163.12424	1.6
163.14830	41.7
164.04289	1.6
164.07088	1.2
164.15221	1.3
167.49080	0.6
178.73236	0.7
181.14584	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.1118
Annotation	Lamoxirene
Peak:m/z	Relative Intensity
53.03939	5.8
55.01874	11.5
55.05508	6.8
56.96561	4.7
57.03435	5.4
57.07058	1.3
61.02924	1.4
62.01086	1.1
63.65768	1.4
65.03930	1.4
67.05503	13.0
67.88039	0.9
69.03421	6.6
69.07053	5.0
69.39073	1.0
70.34364	3.4
71.04982	2.3
77.03926	1.1
77.46344	1.0
77.51197	1.0
79.05495	35.6
81.03410	4.2
81.07059	14.8
83.04964	3.5
85.02888	1.7
89.03920	30.0
91.04971	1.7
91.05482	19.5
92.01334	1.1
92.02636	1.2
93.03339	1.0
93.07042	41.6
93.48174	1.0
94.51546	2.5
95.04960	10.4
95.08607	12.4
96.01549	2.7
97.06499	1.7
98.97574	5.9
100.02499	4.9
103.05457	12.2
103.52104	1.2
105.04537	1.6
105.07030	20.4
107.04958	23.3
107.08588	34.1
109.06530	2.5
110.01295	3.8
110.97553	1.5
115.05479	2.8
116.06232	1.0
116.98625	1.4
117.03386	28.2
117.05710	1.1
117.07021	25.9
118.03527	1.7
119.01802	3.2
119.08579	13.9
121.02843	1.2
121.06501	13.5
121.10139	9.7
128.02321	2.5
128.98567	1.1
130.06512	1.5
130.07776	6.7
130.52582	1.2
131.04936	16.5
132.08110	1.9
133.02844	3.1
133.06474	1.5
133.10110	4.3
134.07277	1.8
135.04414	53.9
135.08080	6.5
135.11691	22.7
136.04744	1.5
143.08569	2.6
145.02859	21.8
145.03992	1.8
145.06528	1.3
145.10126	36.6
163.03906	100.0
163.07555	6.7
163.11176	52.8
163.12346	2.7
163.14862	3.2
164.04285	1.7
164.06943	2.0
166.17642	1.2
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
51.02369	1.2
53.03954	4.1
55.01853	1.2
55.05516	6.0
56.96553	2.3
57.03428	2.3
57.07064	3.0
65.03955	0.8
66.84541	0.7
67.05486	1.3
69.03432	6.4
69.07060	5.7
71.10568	1.2
73.02898	1.4
77.03914	1.8
79.05072	1.3
79.05500	16.0
81.03403	1.0
81.07045	3.6
83.00803	0.9
83.04958	1.0
83.08617	1.5
85.02894	2.9
89.03922	18.6
89.05997	1.7
91.05479	18.4
93.07045	45.8
95.01327	4.4
95.04993	4.4
95.08631	1.3
98.97574	2.3
100.02486	2.0
103.05469	6.4
105.03400	1.1
105.04466	2.1
105.07042	13.6
106.06564	1.5
107.04974	7.3
107.08598	99.5
109.06490	2.4
110.01270	1.6
115.05452	1.2
117.03384	16.8
117.07005	5.5
118.03615	1.3
119.01733	0.8
119.06087	1.7
119.07820	1.0
119.08587	11.8
120.08060	1.2
120.09378	1.5
121.06493	2.4
121.09347	1.6
121.10143	24.1
130.06516	1.8
130.07767	2.1
131.04955	6.9
132.08087	2.6
133.02841	3.2
133.10207	0.9
135.04427	35.9
135.08031	1.8
135.11694	100.0
137.09593	1.1
145.02849	16.4
145.03934	0.8
145.06493	2.4
145.10149	6.8
147.08989	0.9
162.83739	0.8
163.03908	60.6
163.07549	6.1
163.11168	21.5
163.12315	1.6
163.14835	6.9
164.04216	1.0
164.07098	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.039
Annotation	3-HYDROXYCOUMARIN
Peak:m/z	Relative Intensity
51.49113	0.4
53.03949	1.2
53.43985	0.5
55.01860	0.4
58.23540	0.4
61.01247	0.4
63.02391	1.1
69.03442	0.5
69.46613	3.2
77.03935	0.8
79.05499	8.1
79.63427	0.4
79.68076	0.4
81.07076	0.4
89.03922	51.2
90.04224	0.4
91.05497	1.2
93.07054	0.9
95.04951	2.3
100.02483	0.5
100.10966	0.4
103.05495	2.0
105.03379	1.0
105.04502	0.9
105.05814	0.5
107.04961	12.0
107.08607	1.0
117.03386	50.1
118.03716	0.7
121.02885	1.1
121.06608	0.5
121.10149	0.5
131.04958	2.6
135.04419	77.1
136.04732	0.8
145.02853	43.0
145.03862	1.9
163.03911	100.0
163.07491	2.1
163.11142	0.7
163.14804	0.5
164.04228	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.039
Annotation	5-Hydroxycoumarin
Peak:m/z	Relative Intensity
50.18085	0.7
53.03952	1.7
56.70954	0.8
63.02372	1.8
70.95654	1.6
74.88596	0.6
77.03936	1.4
79.05505	8.5
89.03922	72.2
89.32227	0.6
95.04939	1.2
105.04515	1.3
107.04298	1.1
107.04960	13.0
117.03385	70.1
135.04422	93.4
136.04733	1.2
145.02859	52.1
145.03912	2.5
148.47952	0.7
163.03912	100.0
164.04286	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.039
Annotation	4-Hydroxycoumarin
Peak:m/z	Relative Intensity
53.03938	0.9
58.71532	0.5
63.02360	1.4
67.22150	0.5
67.62178	0.5
68.81006	0.5
71.43823	1.0
74.67442	0.5
75.62697	0.5
77.03922	0.6
79.05116	0.6
79.05502	5.3
80.86892	0.6
84.52523	0.5
89.03919	43.3
91.05479	0.9
92.90987	0.5
95.01316	1.9
95.04948	1.5
103.05492	1.0
105.04470	0.9
105.37099	0.6
107.04956	8.8
117.03382	42.9
121.31113	0.5
122.03626	0.7
132.02057	1.9
135.04416	60.3
136.04695	1.2
145.02853	36.0
145.03918	1.6
146.03265	0.6
163.03906	100.0
164.04228	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.0389
Annotation	3-HYDROXYCOUMARIN
Peak:m/z	Relative Intensity
53.03928	1.9
56.67387	0.6
63.02381	1.4
63.71897	0.5
70.30338	1.4
70.30732	1.0
77.03928	0.7
79.05500	6.4
89.03922	44.4
91.05486	0.7
95.04976	1.7
98.21440	0.7
98.97569	1.0
103.05479	1.7
105.04487	0.7
107.04967	9.2
107.08571	1.4
117.03388	45.8
121.02874	1.0
121.10098	0.8
130.52548	0.7
131.04924	2.5
135.04427	69.7
136.04691	0.7
140.00150	0.6
145.02858	32.3
145.03912	1.5
163.03915	100.0
163.07590	1.8
163.11189	0.8
164.04276	0.9
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
50.48960	0.5
52.04330	0.5
53.03948	1.7
55.01877	0.9
55.05515	10.6
65.03934	1.0
65.28471	0.6
65.80326	0.5
67.05507	5.3
69.03442	1.0
69.07070	11.7
69.56956	0.5
69.62642	3.4
70.65674	0.6
72.64729	0.6
77.75264	0.6
79.05495	9.0
81.07056	17.2
91.05486	26.7
93.07043	14.1
95.04984	1.3
95.08635	3.8
98.21480	1.3
103.05467	3.5
105.07037	92.7
105.73592	0.6
106.07331	0.9
107.08596	6.9
114.04229	0.7
115.05454	2.3
117.07034	7.2
119.08588	100.0
120.08871	0.9
121.10143	2.5
131.04857	0.8
131.08563	7.0
132.09306	1.5
133.06502	2.3
133.10136	45.6
143.08591	0.8
144.08134	0.8
145.10133	1.8
146.07291	0.6
146.10910	3.3
159.11703	3.4
161.06006	5.0
161.09656	5.9
161.13264	77.7
162.13614	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.0296
Annotation	Unknow
Peak:m/z	Relative Intensity
65.24539	0.2
68.02528	0.2
69.27198	1.9
71.88335	0.2
80.02934	0.2
82.30047	0.2
82.99843	4.6
83.99869	0.2
85.01397	0.3
85.85637	0.2
87.49911	0.2
100.02519	0.3
101.00886	46.1
102.00951	2.6
103.02448	0.3
107.05273	0.9
111.00468	0.2
111.04484	0.7
116.05800	1.2
116.55887	0.2
118.53651	0.2
119.01926	100.0
120.01994	3.8
121.01619	0.3
121.02409	0.4
124.01476	0.2
124.02415	0.4
125.02594	0.4
137.02963	17.0
138.03053	0.8
142.03502	1.4
143.01881	0.7
143.03647	3.5
144.03241	0.5
147.05054	0.3
161.02977	7.1
161.04614	0.9
179.04018	6.8
179.05569	0.4
180.03986	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	160.037
Annotation	Unknow
Peak:m/z	Relative Intensity
69.91041	0.6
69.91448	1.1
95.86809	0.4
98.21407	0.4
116.04739	100.0
117.05070	1.2
123.91634	0.3
136.99159	0.4
160.03706	17.4
174.71378	0.3
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
55.05528	0.4
56.96564	4.9
65.03913	0.5
67.05503	2.5
68.05829	0.6
69.82192	2.1
70.00301	0.4
70.06598	0.5
71.18260	0.4
71.95288	0.4
76.92893	1.0
76.93367	1.5
79.05503	1.9
81.07068	1.6
85.02921	0.5
87.00859	0.8
91.05480	12.4
93.07050	0.7
94.94415	0.4
95.02609	1.0
95.52722	0.4
98.97581	3.0
99.10081	0.4
103.05463	1.2
105.07033	16.0
113.02380	1.0
113.07931	0.5
114.03389	0.5
114.09134	0.5
115.05431	4.4
116.06245	1.8
116.98617	1.8
117.01920	0.4
117.07016	29.7
117.96008	2.2
119.08586	8.4
122.88878	0.5
126.05171	0.5
126.55344	1.7
128.06235	0.8
129.07010	13.7
130.07785	16.7
131.08569	71.4
132.08897	1.4
134.99666	0.4
135.05690	0.9
135.55850	1.8
135.97055	0.5
141.01788	4.2
142.07758	1.1
143.08549	1.1
144.09344	17.6
145.09712	0.4
155.15111	0.4
157.10144	3.9
159.08054	1.5
159.11694	100.0
159.15695	4.2
160.12018	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	159.0442
Annotation	1,2-Naphthoquinone
Peak:m/z	Relative Intensity
51.02366	0.5
52.12120	0.4
53.03946	3.8
55.01867	0.6
56.96560	0.9
58.99884	0.3
63.12379	0.4
67.03548	0.3
69.85426	0.6
69.85825	1.1
74.65588	0.3
75.46561	0.4
76.93357	0.9
77.03922	1.0
81.03402	1.2
91.05505	0.5
95.04980	2.3
98.20694	0.4
98.97592	5.2
100.85371	0.4
102.04649	0.9
103.05468	96.8
104.05791	1.1
105.03407	3.2
105.04514	1.4
113.02347	0.4
114.05508	0.5
116.98612	1.8
117.96006	1.1
131.04930	100.0
131.08563	1.0
132.05243	1.3
132.08058	1.1
134.99637	0.6
141.01823	1.6
144.09360	0.5
159.04417	43.4
159.09167	1.7
159.11688	1.1
159.15744	1.6
160.04767	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	158.0813
Annotation	2-Hydroxyethylclavam
Peak:m/z	Relative Intensity
53.37307	0.4
55.01871	1.9
56.96297	0.6
56.96566	8.6
57.03432	0.8
57.93570	0.5
64.88569	0.4
65.77050	0.4
67.05497	0.9
69.03419	1.7
69.07049	0.8
69.55808	2.3
70.06594	11.5
70.98106	0.5
71.04992	0.7
71.95266	2.1
72.04507	0.9
72.08137	0.7
74.15506	0.3
75.06493	0.4
75.65010	0.4
81.03416	1.1
84.04504	2.0
84.08147	1.5
85.02884	0.4
86.06042	0.6
87.04477	3.2
94.06564	7.7
95.07353	1.5
96.04492	7.9
96.08152	2.9
97.96803	0.8
98.06060	8.7
98.09692	7.0
98.10278	0.6
98.97586	100.0
100.05272	0.5
106.52102	0.6
110.01297	0.5
112.07597	7.9
112.11303	0.5
112.55746	0.5
114.05534	8.5
116.07094	1.7
116.97266	1.3
116.98621	41.6
117.02052	0.7
122.06035	2.2
126.02570	0.8
134.99661	11.7
135.03111	1.4
139.20319	0.4
140.00189	1.9
140.07066	40.5
140.10684	0.7
140.14365	0.6
141.07368	0.4
144.03630	0.7
152.97025	0.6
153.00758	0.8
158.01248	1.3
158.08147	15.3
158.09627	2.1
158.11720	3.2
158.15410	9.9
163.60336	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	155.043
Annotation	Unknow
Peak:m/z	Relative Intensity
52.91615	4.3
71.50725	6.5
73.02930	4.5
74.09718	5.6
110.02170	8.3
110.07159	16.3
113.00870	5.7
119.01958	5.6
130.06299	4.9
131.01932	7.0
138.01627	44.3
142.03511	4.9
155.04280	100.0
156.04221	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	158.0476
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01396	0.6
56.05039	1.1
56.96567	24.8
56.96852	1.2
59.77446	0.7
67.05506	2.0
69.07054	0.9
70.06596	8.0
70.29613	0.7
71.04989	1.3
71.16134	1.7
71.95270	3.0
72.97115	0.7
74.97615	2.0
84.04507	2.1
84.08135	1.9
91.83914	0.7
92.52400	1.5
92.98653	4.5
93.01596	1.2
97.07665	0.9
97.51579	4.4
97.99182	1.6
98.06066	2.1
98.09690	13.2
98.97587	100.0
101.52904	1.1
102.02123	1.2
102.09183	1.3
103.05468	1.8
103.18604	0.7
106.52117	42.6
107.02331	1.5
107.97614	1.3
110.07171	1.8
110.99683	2.0
111.05577	7.1
112.07630	6.0
115.52639	70.5
116.02807	2.2
116.07083	1.7
116.97251	2.1
116.98624	50.5
117.02126	1.1
118.02906	3.7
122.04168	1.0
124.53155	6.4
126.02596	2.4
127.03421	4.0
130.06570	2.1
131.04907	1.1
132.08095	1.1
134.99666	16.5
135.03152	7.4
140.00171	4.3
140.07085	1.5
140.14363	2.8
141.01855	1.5
143.00163	0.8
143.07440	1.3
143.08572	4.9
144.03682	13.9
149.08241	3.4
151.09804	1.2
152.96884	0.7
152.99661	0.8
153.00769	1.1
153.04181	1.9
153.20085	0.7
155.54506	2.6
158.01256	3.1
158.06044	1.6
158.08105	2.6
158.09657	13.0
158.10861	0.9
158.15408	40.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	154.9775
Annotation	Unknow
Peak:m/z	Relative Intensity
54.93827	2.7
55.01875	0.8
55.05511	1.0
56.96563	1.6
57.03439	2.8
57.26458	0.4
65.52221	0.3
67.05503	1.5
69.03423	1.4
69.96177	28.9
70.95866	3.4
71.04973	0.4
71.94105	11.5
71.94509	0.6
72.04527	0.6
72.52965	0.8
72.93796	16.7
73.02918	1.7
77.00916	0.4
77.52189	1.9
78.52977	0.5
79.02185	0.7
79.05508	0.4
80.01212	0.8
80.75523	0.4
81.03419	0.6
81.07051	1.5
82.01473	2.0
83.04999	2.0
84.52979	0.4
85.02891	0.7
85.45872	0.4
85.51939	0.4
85.53767	0.6
86.52702	6.9
87.02749	0.7
87.52581	0.9
87.97222	1.1
88.02677	1.3
88.51690	0.6
88.96917	0.8
89.01749	1.9
89.51569	0.9
89.95148	0.7
90.52943	0.6
90.94846	3.3
91.05476	0.5
91.31271	0.4
93.01888	0.6
95.04985	0.9
95.08582	0.5
95.53213	3.9
96.03297	0.4
98.09701	0.7
98.52673	0.6
99.04464	0.9
99.53493	1.4
100.02496	3.2
100.52497	0.6
101.00864	2.2
101.02593	0.5
102.02370	1.4
103.00628	0.6
103.02409	0.7
104.52702	0.8
108.53991	1.7
109.02877	0.9
109.06534	1.8
109.10149	0.6
110.98798	1.9
111.02937	0.6
111.04448	0.6
111.98481	2.1
112.96729	0.5
113.00891	1.7
113.06007	0.6
113.53201	1.2
113.95140	6.1
113.96399	10.8
113.97166	0.9
114.04043	1.9
115.01232	0.5
115.02432	1.4
117.48778	0.6
118.03587	0.8
119.01938	4.4
119.48897	0.4
119.97330	1.1
119.99038	0.9
120.48833	1.5
121.01608	0.6
122.53743	1.9
123.03780	0.6
124.02480	1.5
126.49271	0.5
127.03879	1.9
127.07536	0.8
128.49492	1.0
128.97859	0.9
128.99539	4.5
129.49368	4.5
129.99496	1.2
131.01912	4.9
131.49821	0.9
131.53238	1.0
131.54196	0.9
131.55061	0.6
131.96158	100.0
131.97318	3.6
131.99594	1.4
132.02020	3.0
132.05074	11.4
132.05821	0.3
132.95834	6.0
133.03470	1.5
137.05984	1.3
137.50024	1.3
137.98460	0.4
138.00066	6.0
138.49902	6.4
138.99918	0.9
140.00304	0.9
140.50359	3.1
141.00142	3.8
141.50220	0.7
141.95691	0.5
142.03506	5.4
143.01915	0.8
143.03793	0.6
144.03246	0.9
145.03461	0.8
149.00815	1.6
149.02953	0.7
149.50871	4.0
149.97211	93.4
150.00577	4.1
150.06148	5.0
150.50725	0.7
150.96881	6.7
151.04507	0.4
151.97697	0.4
152.01147	0.6
152.50972	0.5
154.03548	1.0
154.97768	4.8
155.01927	0.9
155.03552	1.7
155.07053	2.5
155.97458	0.6
156.05089	0.6
157.03468	0.8
160.04495	0.6
167.98282	4.8
172.04424	0.4
172.98842	5.4
173.02954	1.2
174.06085	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	154.0266
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03438	15.8
68.55080	9.6
69.30339	10.8
70.69634	30.9
73.02898	21.9
91.05473	12.2
101.00890	17.5
110.71887	12.1
113.00867	32.7
119.01904	25.3
123.06812	19.1
124.02495	10.6
131.01913	100.0
136.03957	20.6
137.05949	37.4
138.29970	11.4
142.03511	36.0
149.02971	20.8
154.03612	22.4
154.04956	71.7
154.08646	42.0
155.04196	19.8
155.08112	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	153.1275
Annotation	Lyratol
Peak:m/z	Relative Intensity
53.00295	1.5
53.41117	1.9
55.05516	11.0
57.07067	1.6
59.05010	7.6
65.03919	2.2
67.05485	6.3
69.07079	8.4
69.90863	6.7
71.04998	37.6
73.06557	24.1
79.05499	20.0
81.07061	100.0
83.08624	2.6
91.05475	6.8
93.03407	1.5
93.07048	40.3
95.04958	3.6
95.08635	7.7
97.06517	5.6
98.20814	2.5
105.07029	2.5
107.08606	36.1
109.10142	6.0
111.08069	3.6
120.04236	1.5
135.04402	2.1
135.11700	28.0
153.12737	15.9
170.86082	1.6
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
53.03942	4.0
55.01877	1.8
55.05513	13.5
56.96563	3.8
57.03428	3.9
57.07062	2.1
59.05005	8.3
59.25060	0.9
65.03950	8.2
67.05508	8.7
69.03423	2.0
69.07070	12.7
69.36404	8.4
70.94256	4.5
70.95877	2.1
71.04600	2.0
71.04996	35.1
71.94122	1.3
73.06182	1.5
73.06564	21.4
74.34813	1.2
76.51534	1.1
79.05499	27.3
81.07059	100.0
82.06557	1.1
82.07390	1.2
83.05002	5.2
83.08622	3.5
85.06503	1.2
87.63662	1.0
88.95328	2.1
91.05490	8.1
93.03424	7.5
93.07048	48.1
95.04980	10.3
95.08621	14.0
97.06535	11.1
105.07030	3.3
107.04947	3.6
107.08598	45.6
108.08109	1.2
109.06520	3.2
109.10162	11.2
110.03651	2.4
110.09654	1.6
111.04468	11.3
111.08095	9.9
111.96853	3.8
119.08569	2.5
121.02876	1.3
125.06008	7.3
125.09580	5.0
129.97896	1.7
135.04440	5.0
135.08047	2.1
135.11696	40.5
135.66849	1.0
136.03964	7.3
153.03876	1.8
153.05447	7.4
153.06644	3.7
153.09157	8.8
153.10226	1.7
153.12756	26.3
154.05055	1.9
154.08713	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.1275
Annotation	Lyratol
Peak:m/z	Relative Intensity
53.00306	0.6
53.03938	1.3
54.02802	0.5
55.01864	0.7
55.05513	5.2
55.22694	0.4
56.96560	1.7
57.03443	0.7
57.07068	0.8
59.05016	3.2
65.03943	5.4
67.05502	2.7
69.03443	0.5
69.07077	4.3
69.76166	2.4
70.94253	1.6
71.04999	15.4
71.94093	1.1
73.06564	7.9
79.05499	11.0
81.07063	35.7
83.04975	1.7
91.05479	3.2
93.03419	3.7
93.07047	16.9
94.07326	0.5
95.04987	4.4
95.08619	3.4
95.66382	0.5
96.04498	8.7
97.06524	4.0
98.21518	0.5
99.57407	0.4
99.85661	0.4
105.07018	1.4
107.04950	1.6
107.08601	15.4
109.06524	2.0
109.10168	3.1
110.03678	0.6
111.04455	3.9
111.08088	1.9
111.96884	1.5
118.73857	0.4
119.08667	0.4
121.02874	100.0
122.03212	1.1
125.06019	2.6
125.09633	0.5
135.04437	1.9
135.08052	1.2
135.11699	13.0
136.03909	2.3
147.56920	0.4
153.04172	0.5
153.05493	9.9
153.06601	0.7
153.09099	1.7
153.12755	6.0
154.04980	0.5
154.08571	1.0
163.39012	0.5
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
53.03933	4.4
55.05512	14.4
57.07073	2.4
59.04990	7.3
65.03930	4.2
67.05498	5.0
69.07064	8.9
70.91351	3.0
70.94267	1.7
71.04996	45.0
71.94092	3.6
73.06553	22.8
79.05072	2.3
79.05497	26.1
81.07054	100.0
83.86321	1.6
91.05483	7.2
93.03410	4.2
93.07043	47.3
94.25687	1.8
95.04964	11.3
95.08585	8.8
97.06522	7.6
105.07034	2.4
107.04933	12.2
107.08592	37.4
109.10135	6.1
111.04414	2.6
111.08083	6.2
119.08575	2.2
122.10518	1.6
125.05994	3.3
135.04405	8.7
135.11693	29.8
138.31570	1.6
153.05478	4.3
153.12756	15.1
154.08603	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.1274
Annotation	Lyratol
Peak:m/z	Relative Intensity
53.03936	2.2
54.13921	1.7
55.05515	14.6
59.04990	6.4
59.92702	1.8
65.03920	4.6
67.05496	5.5
69.07063	9.2
69.17245	15.8
71.04996	39.3
73.06558	22.9
73.63630	2.3
77.57020	2.2
79.05502	23.9
81.07063	100.0
83.05003	2.2
83.08559	2.1
91.05485	6.3
93.03393	4.6
93.07051	40.4
95.04950	7.5
95.08599	5.8
97.06524	8.7
107.08603	38.7
109.06560	2.2
109.10136	8.0
111.04439	3.9
111.08105	4.3
121.02867	8.4
135.07942	2.5
135.11710	31.5
136.03944	2.5
147.90112	2.3
153.05475	3.2
153.12743	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	153.1275
Annotation	Lyratol
Peak:m/z	Relative Intensity
53.03936	2.0
55.05510	12.8
57.07092	2.1
59.05003	5.6
62.00515	1.7
63.36298	1.5
67.05505	5.6
69.07068	7.7
69.44538	11.5
71.04995	43.5
73.06559	22.7
73.06933	2.9
73.56340	1.4
79.05497	25.3
81.07059	100.0
82.07420	1.9
83.04964	2.2
91.05485	5.4
92.26136	1.7
93.07050	40.5
95.08603	7.4
97.06530	6.8
105.07024	2.6
107.04956	2.5
107.08599	36.0
109.10152	9.0
111.08099	3.6
125.05945	1.8
135.11702	32.0
153.12766	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	153.1274
Annotation	Lyratol
Peak:m/z	Relative Intensity
53.03944	1.9
54.16786	1.4
55.05512	12.6
57.07057	1.6
59.05001	10.5
60.19827	1.5
67.05493	6.2
69.07063	9.6
69.41246	1.5
69.51281	12.1
71.04996	46.8
73.06557	22.5
75.77177	1.7
79.05495	25.1
81.07062	100.0
83.04981	1.9
83.08599	2.1
91.05466	7.0
93.06487	2.6
93.07051	46.0
95.04964	3.8
95.08606	8.0
97.06519	7.2
97.07081	1.6
98.21484	3.5
107.08601	41.9
109.06456	1.5
109.10169	7.4
111.08087	4.3
119.08618	1.6
135.11707	33.9
143.15410	1.5
153.12740	18.5
171.19200	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.1274
Annotation	Lyratol
Peak:m/z	Relative Intensity
53.03936	3.8
55.05519	9.8
57.12864	2.0
59.05004	9.6
65.70615	1.9
67.05497	5.8
69.07061	6.5
69.23297	15.6
69.23718	4.6
71.04999	45.8
73.06552	23.4
79.05493	28.5
81.07062	100.0
88.79539	2.1
91.05487	10.0
93.07047	44.7
95.04967	10.5
95.08601	8.7
97.06525	5.9
98.82646	2.3
107.08598	41.0
109.10158	6.6
111.04477	2.6
111.08086	4.8
132.20267	2.3
135.11697	31.9
153.05489	2.3
153.12746	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	153.1275
Annotation	Lyratol
Peak:m/z	Relative Intensity
51.19453	2.0
53.00299	1.8
53.03950	3.8
55.01859	3.3
55.05508	19.1
56.96552	6.7
57.03426	2.1
57.07070	2.6
59.04988	7.1
65.03935	14.6
67.05497	10.9
69.03410	4.5
69.07051	14.8
69.62595	11.2
70.94257	9.9
70.95851	5.7
71.04607	2.7
71.04993	42.1
71.94106	9.7
73.06551	26.4
79.05492	36.9
81.03403	3.0
81.07053	100.0
82.06568	3.7
83.04965	5.2
85.06541	4.0
88.95287	2.6
91.05490	12.2
93.03395	19.0
93.07041	56.6
95.04957	12.4
95.08590	11.3
97.02845	2.1
97.06516	15.6
98.21516	2.4
105.07008	2.5
107.04959	19.1
107.08598	49.1
108.04401	2.2
109.06489	7.5
109.10170	11.8
110.03596	2.4
110.09662	2.0
111.04432	22.8
111.08067	8.5
111.96844	9.4
111.98435	2.3
112.96700	5.5
125.02306	2.5
125.05997	15.7
125.09577	3.3
129.97902	4.0
130.89522	1.7
135.04472	9.0
135.08026	4.5
135.11688	39.4
136.03912	10.1
136.07552	3.8
138.03166	2.3
149.74115	2.0
153.01855	3.8
153.05476	37.6
153.06602	5.6
153.09108	5.2
153.10182	2.7
153.12735	21.8
153.13828	3.7
154.04932	4.4
154.08589	3.4
154.63718	1.7
158.99638	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	cis-2,8-Menthadien-1-ol
Peak:m/z	Relative Intensity
52.34569	0.8
53.03944	2.2
55.01859	2.3
55.05514	12.6
56.96571	7.3
57.03439	6.1
57.07070	1.9
58.48461	0.8
59.05001	1.5
61.59100	0.9
65.03947	6.4
65.08683	0.8
67.05511	22.0
69.03420	3.7
69.07073	40.3
69.74976	3.3
69.75387	1.5
70.94274	2.2
70.95860	2.2
71.04984	2.7
71.94100	1.7
71.95268	5.2
79.05500	24.9
80.05035	1.0
81.06591	1.7
81.07062	31.2
82.06566	1.2
83.04981	7.8
83.08636	5.7
85.06573	2.0
88.66695	0.8
88.95322	1.3
89.50910	0.9
91.05499	6.1
93.03394	4.9
93.07050	39.6
95.04443	0.9
95.04978	5.9
95.08617	18.5
97.02892	1.6
97.06541	20.2
98.06087	1.3
100.02122	0.9
101.00773	1.3
107.04948	3.5
107.08601	41.3
108.04503	1.3
109.06515	2.2
109.10162	26.8
110.03627	2.3
110.09708	2.3
111.04483	10.2
111.08089	7.2
111.11733	1.2
111.96843	1.6
118.52567	1.0
118.54405	1.7
120.02595	1.0
125.06009	8.1
125.06940	1.3
125.09629	2.1
126.05447	1.0
126.06316	1.3
129.97926	1.7
130.03371	1.0
135.04445	2.5
135.08057	3.0
135.11703	90.2
136.03923	11.5
136.07547	2.2
136.11942	0.9
142.74910	0.9
153.03828	1.5
153.05475	7.5
153.06558	3.4
153.07449	4.0
153.09225	5.4
153.12752	100.0
154.05009	3.8
154.08652	2.1
154.13165	1.0
158.99606	1.4
161.04161	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.0911
Annotation	3-Isopropylcatechol
Peak:m/z	Relative Intensity
53.03939	4.6
55.01632	2.2
55.01875	23.6
55.05513	14.5
55.05927	1.4
56.96562	5.0
57.03425	5.3
57.07064	1.8
59.05004	23.7
63.65701	1.1
65.03944	15.8
67.05508	14.2
69.03437	14.6
69.07067	10.7
70.94251	5.1
70.95868	2.3
71.01354	1.3
71.04992	15.3
71.52406	1.4
71.94109	8.2
73.06554	8.0
79.05498	49.6
81.03410	3.1
81.07056	46.9
81.07534	2.6
82.06554	1.5
83.04991	22.2
83.08620	3.8
88.95326	1.7
91.05481	32.3
93.03396	12.1
93.07043	36.7
95.04980	22.4
95.08605	10.7
97.02892	3.1
97.06523	10.7
97.10187	2.1
104.90059	1.0
105.07040	19.6
107.04959	15.0
107.08598	100.0
108.05740	1.8
108.08897	1.1
109.06521	20.5
109.10174	6.9
110.03693	2.1
110.09688	2.9
111.04449	34.1
111.08086	30.0
111.96892	5.2
112.96693	2.8
115.05478	3.8
117.07011	8.8
119.06071	5.0
119.08579	1.6
121.02881	6.6
121.06518	1.3
123.08075	40.0
124.08842	1.5
125.05993	11.1
125.09639	37.3
125.41333	1.2
129.97881	1.4
130.97807	1.3
133.07610	3.5
135.04485	5.4
135.08063	65.7
135.09109	3.4
135.11679	14.5
136.03958	4.8
136.07539	2.4
153.01811	2.6
153.05478	7.9
153.06497	2.3
153.09116	44.3
153.10202	3.0
153.12740	10.1
154.05074	2.7
154.08626	3.2
154.12248	1.1
157.34203	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.0547
Annotation	Methyl 4-hydroxybenzoate
Peak:m/z	Relative Intensity
53.03939	0.4
55.01873	0.7
55.05512	1.0
56.96568	1.4
57.03433	1.2
59.04987	0.7
65.03938	6.1
65.40751	0.3
67.05499	2.1
69.03432	0.9
69.07069	1.8
70.09258	0.3
70.94257	1.7
70.95848	0.3
71.04999	2.0
71.52937	0.4
71.94111	0.5
73.06541	0.5
78.07602	0.3
79.05505	2.9
81.03424	0.8
81.07062	5.0
83.04986	1.3
83.08615	0.6
87.73862	0.3
91.05494	1.6
93.03410	4.4
93.07051	7.1
95.04967	4.9
95.08607	5.3
97.06523	3.1
105.07034	0.5
107.04956	1.6
107.08595	10.8
109.06516	3.8
109.10162	3.2
110.03635	0.5
111.04448	5.7
111.08088	1.4
111.96871	1.1
121.02872	100.0
122.03217	0.9
125.06014	2.9
125.09659	0.8
129.97905	0.7
135.04419	1.8
135.08070	1.1
135.11684	4.7
136.03914	0.4
138.03174	0.5
153.01862	1.3
153.05476	10.6
153.06544	0.5
153.09100	3.1
153.10207	0.5
153.12738	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	152.0707
Annotation	Paracetamol
Peak:m/z	Relative Intensity
56.96563	4.1
57.03449	2.2
57.26488	0.4
59.44405	0.3
60.76365	0.3
61.02909	0.7
62.56469	0.4
65.03922	0.6
68.00273	0.5
70.19920	0.6
70.20267	0.9
70.99850	0.9
73.01416	0.7
73.02905	0.9
74.00238	0.4
77.00852	0.4
81.03391	0.4
82.01447	0.7
82.04053	0.4
83.00797	0.4
85.01408	0.6
85.02885	1.3
89.00770	1.3
92.05009	4.6
93.05800	0.9
94.06558	0.5
95.07316	0.4
96.00135	0.3
97.01362	0.8
97.02882	0.4
98.01290	1.5
98.97562	2.4
100.02460	1.2
101.00861	1.6
101.01545	0.4
103.02439	0.6
105.02081	0.6
107.01828	1.1
109.05085	0.8
110.02156	0.8
110.03532	3.5
110.06050	4.5
110.97555	3.1
111.02043	0.5
115.01321	0.5
115.02422	2.2
116.98614	0.7
117.02917	0.5
117.03925	0.6
119.01923	1.8
119.52017	0.4
120.02547	1.2
122.06055	2.2
123.04403	0.8
123.06803	0.7
124.07639	0.4
125.04753	0.7
125.06114	0.3
128.02301	0.6
128.04585	1.0
128.98616	1.9
129.03064	1.3
129.04005	2.1
131.01874	0.4
133.03474	1.5
134.06012	1.2
135.03035	8.8
135.05124	0.5
138.29947	0.4
140.03157	1.0
140.54868	0.6
146.99701	0.5
147.01361	0.9
147.03136	0.9
147.05019	1.1
149.03738	1.9
152.05685	35.7
152.07051	100.0
152.10641	1.5
153.04080	7.2
153.07402	1.0
157.03474	0.6
170.02927	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	151.1483
Annotation	(E)-4,8-Dimethyl-1,3,7-nonatriene
Peak:m/z	Relative Intensity
53.03952	1.2
54.99332	0.4
55.01872	0.7
55.05514	6.4
56.96563	2.4
57.03429	0.7
57.07077	0.9
57.64977	0.4
59.04994	0.4
59.69678	0.4
61.02910	0.5
64.98869	0.4
65.03945	2.8
67.05507	85.2
68.05827	0.6
68.95289	0.6
69.03426	1.3
69.07066	4.1
71.04976	0.4
71.34191	0.5
73.02938	0.5
79.05494	7.6
81.03405	0.4
81.07062	50.1
83.00750	0.4
83.04982	1.6
83.08634	1.0
85.02891	0.6
89.00778	0.8
91.05479	7.1
93.07051	8.5
95.04993	2.1
95.08611	100.0
96.08955	1.0
97.02911	0.5
98.01273	0.4
98.97594	2.3
105.07039	9.5
107.08602	11.3
107.47649	0.5
109.06527	2.3
109.10161	55.2
110.01290	1.7
110.97585	0.6
116.98637	0.8
119.01830	1.9
121.52035	0.5
123.04441	0.7
123.08105	1.9
123.11689	2.3
126.34388	0.4
128.02350	0.8
131.08539	0.5
133.06490	0.4
133.10136	9.0
151.02835	0.8
151.03900	1.9
151.07541	2.8
151.11198	11.6
151.14822	11.2
152.07030	0.7
152.25444	0.4
153.82533	0.4
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	Lyratal
Peak:m/z	Relative Intensity
51.75473	1.1
53.03941	3.3
55.01884	6.2
55.05515	11.8
56.96567	6.4
57.03444	6.4
57.07077	1.1
59.83007	1.0
65.03939	3.4
66.50002	1.0
67.05506	55.8
68.95283	2.7
69.03432	10.0
69.07061	3.9
70.01435	4.8
71.04993	4.8
73.02912	2.2
73.26952	1.0
74.54302	1.0
79.05494	35.8
80.05854	1.0
81.03413	2.4
81.07059	56.5
83.00780	1.8
83.04981	20.4
85.06546	2.0
89.06054	1.6
91.05482	58.4
93.07043	40.9
93.07634	2.2
95.04973	15.8
95.08612	17.4
97.06548	1.6
97.64960	1.1
98.01293	1.5
98.97594	6.5
101.00780	2.4
105.07033	78.4
107.04943	1.2
107.08597	100.0
107.47598	1.3
109.06520	17.8
109.10157	38.6
110.01276	2.9
116.48105	1.5
116.98617	2.2
119.01791	7.5
119.06103	2.2
121.52055	2.3
123.04430	1.7
123.08047	5.7
123.11711	8.6
124.07619	1.1
128.02325	4.3
130.52588	1.6
131.08566	4.1
133.10135	79.4
134.10466	1.1
137.02872	1.4
139.53099	1.4
151.02835	1.8
151.03903	4.7
151.05870	1.6
151.07573	6.4
151.11185	82.9
152.03317	1.1
152.07002	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.1325
Annotation	Ectocarpene
Peak:m/z	Relative Intensity
55.05498	8.7
65.03941	24.4
67.05499	3.9
69.07058	12.6
69.95324	9.6
79.05492	33.9
81.07054	24.5
91.05481	17.9
92.73506	2.1
93.03397	6.5
93.07043	76.7
95.04956	4.0
95.08614	5.2
103.05453	2.2
105.04504	3.2
105.07028	7.2
107.08593	63.4
111.04485	4.5
121.02859	41.5
121.03972	12.2
121.06523	2.0
121.10141	21.0
148.77177	1.8
149.02342	100.0
149.07045	2.5
149.09624	4.8
149.13269	34.9
150.09116	2.6
151.45563	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.1327
Annotation	Ectocarpene
Peak:m/z	Relative Intensity
53.03941	3.2
55.01866	1.7
55.05520	3.9
57.07081	1.1
65.03944	30.9
67.05501	2.2
69.03413	1.3
69.07076	6.0
71.52312	0.9
79.05503	7.7
80.15736	0.8
81.07055	4.1
85.04822	1.4
89.03912	2.5
91.05489	11.7
93.03403	9.3
93.06487	1.5
93.07052	23.6
95.04992	2.0
95.08603	1.4
103.05471	3.8
105.03429	1.4
105.07031	11.1
106.04160	0.8
107.08605	30.8
108.04491	1.9
109.06490	1.0
111.04456	4.6
117.03371	1.1
119.06115	1.2
119.08611	2.2
121.02880	42.0
121.03977	12.1
121.06492	2.3
121.10149	22.8
123.08024	1.6
131.04956	1.9
131.08607	1.2
134.03702	1.0
134.10898	1.3
149.02356	100.0
149.05997	7.8
149.07091	1.9
149.09633	12.9
149.10751	1.4
149.13277	13.3
150.02711	1.1
167.03461	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.1326
Annotation	Multifidene
Peak:m/z	Relative Intensity
53.03944	2.1
55.01857	2.0
55.05497	5.0
57.07074	3.3
60.28190	1.4
60.51418	1.8
65.03944	23.5
67.05476	1.4
69.07061	4.8
69.48334	9.0
71.04470	1.6
79.05500	8.4
80.02609	1.7
81.07043	2.7
82.74187	1.4
85.68952	1.4
91.05462	13.1
93.03400	3.5
93.07035	20.3
103.05464	6.1
105.07034	30.7
107.04945	3.4
107.08591	37.3
108.04449	2.1
109.06543	1.7
111.04463	3.6
115.24934	1.3
119.06061	1.9
119.08601	7.5
121.02858	29.2
121.03979	10.3
121.10146	100.0
122.10452	2.2
123.08073	4.4
131.04901	2.1
131.08609	2.1
133.07626	4.0
133.10141	1.6
134.10933	2.9
149.02339	79.5
149.05980	6.3
149.09607	13.2
149.13257	17.0
150.09131	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.1326
Annotation	Hormodirene
Peak:m/z	Relative Intensity
53.03936	2.7
55.01867	2.0
55.05509	2.6
56.96546	0.9
65.03945	31.1
65.99245	0.7
67.05507	8.2
67.17998	0.6
67.32230	0.7
68.87244	0.8
69.07071	4.0
71.37542	1.3
79.05497	13.9
81.07058	19.9
83.08648	0.7
91.05481	6.0
93.03413	6.6
93.07047	21.3
93.75877	0.7
95.04997	1.5
95.08608	4.4
97.95186	0.6
98.03683	1.3
103.05470	2.4
105.03393	7.0
105.04504	1.0
105.07051	2.3
107.04947	1.6
107.08610	18.7
108.04478	2.6
111.04448	5.8
121.02876	41.5
121.03982	12.1
121.06509	1.2
121.10151	5.7
126.05527	1.4
131.08559	0.9
144.16164	0.7
149.02351	100.0
149.05998	6.1
149.07108	1.7
149.08415	1.0
149.09639	4.3
149.13263	15.6
149.14372	1.0
150.02704	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.1326
Annotation	Hormodirene
Peak:m/z	Relative Intensity
53.03937	3.1
55.01872	1.7
55.05511	5.1
58.38275	0.9
58.62006	0.9
60.28102	1.0
65.03943	28.1
67.05505	10.9
69.07081	6.4
71.52283	1.1
79.05494	19.0
81.06585	2.1
81.07056	31.4
83.08627	1.3
83.85315	1.1
91.05480	9.0
93.03416	6.5
93.07048	30.9
95.04965	1.9
95.08606	4.6
98.03670	1.3
103.05433	1.3
105.07027	2.9
107.08595	26.8
108.04477	3.5
111.04453	3.7
119.08575	1.3
121.02869	43.0
121.03973	13.4
121.10142	9.1
122.28825	1.0
125.52397	1.1
126.05442	1.1
131.04971	1.2
131.08582	1.5
149.02348	100.0
149.05986	2.7
149.07109	2.8
149.09637	6.3
149.13257	25.3
150.02686	1.7
150.05466	1.3
167.03438	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.1326
Annotation	Ectocarpene
Peak:m/z	Relative Intensity
50.98137	0.9
53.03944	2.2
55.01867	2.1
55.05507	4.2
56.96557	1.1
57.07066	1.0
58.56848	0.8
65.03618	1.8
65.03945	30.8
67.05493	4.0
69.07069	9.4
69.68346	5.0
79.05508	14.5
81.07063	18.2
91.05475	9.0
93.03400	8.1
93.07048	44.5
94.07379	1.2
95.04963	2.9
95.08627	3.7
98.21447	1.0
103.05457	1.3
105.03406	1.8
105.04509	1.8
105.07024	4.0
107.04984	4.5
107.08604	34.1
108.04489	2.5
111.04438	5.1
121.02878	42.8
121.03986	14.8
121.06522	1.9
121.10155	14.7
122.06040	1.1
126.05503	1.3
131.04913	1.2
149.02356	100.0
149.05974	3.3
149.07085	3.5
149.08496	0.9
149.09674	6.3
149.13277	28.9
150.02724	1.2
150.05544	0.9
150.09154	1.8
160.85599	0.9
167.03334	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.1326
Annotation	Hormodirene
Peak:m/z	Relative Intensity
52.22022	0.6
53.03934	1.9
55.01866	2.5
55.05503	2.2
56.96556	1.1
65.03941	27.1
66.23607	0.6
67.05502	8.0
68.04978	0.7
69.03410	0.9
69.07062	4.4
79.05495	11.3
81.07056	22.2
83.78588	0.6
91.05468	6.7
93.03397	6.0
93.06483	1.3
93.07047	22.1
93.07641	1.1
95.04972	1.1
95.08607	3.8
98.03693	1.1
103.05450	1.8
105.03355	0.8
105.04498	1.6
105.07038	3.6
107.04970	1.5
107.08596	18.6
108.04482	1.7
111.04454	4.3
121.02867	41.3
121.03973	13.0
121.06496	2.3
121.10156	7.1
131.04984	1.5
131.08575	2.1
149.02347	100.0
149.05977	3.7
149.07048	1.1
149.08479	1.1
149.09601	6.7
149.13260	17.4
150.02686	1.7
150.09131	1.6
167.03416	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.0962
Annotation	Dehydrocarvacrol
Peak:m/z	Relative Intensity
52.85758	0.7
53.03941	1.9
55.01859	2.3
55.05507	1.9
56.96563	1.1
59.96454	0.8
63.67858	0.9
65.03945	31.9
67.05523	1.3
69.03407	1.4
69.07070	1.6
71.52956	1.1
75.92606	0.8
79.05492	10.9
81.07056	4.7
89.03876	1.0
91.05480	16.3
93.03410	6.3
93.07050	30.7
95.04972	1.8
98.03663	1.1
103.05460	5.5
105.03376	1.2
105.07031	19.1
106.07814	2.1
107.04955	2.2
107.08601	9.5
108.00064	0.7
108.04467	1.6
109.06557	0.9
111.04443	3.7
115.05531	1.2
116.06236	2.3
118.79363	1.0
119.08593	3.1
120.36246	0.7
121.02872	43.7
121.03980	11.7
121.06493	5.6
121.10149	21.2
121.11020	1.1
123.08083	2.0
129.06958	1.9
131.04921	2.9
131.08569	3.7
133.07620	1.1
136.38745	0.8
149.02353	100.0
149.06004	6.2
149.09627	77.2
149.13251	7.4
161.20522	0.8
169.03458	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.0962
Annotation	4-Isopropyl-2,4,6-cycloheptatrien-1-one
Peak:m/z	Relative Intensity
53.03933	3.3
55.01884	2.2
55.05507	5.0
56.96560	2.1
62.36124	1.0
65.03941	26.3
67.05489	2.5
69.07056	4.1
69.25053	1.9
69.25466	8.3
79.05495	15.8
81.07069	5.0
83.08623	1.2
85.04833	1.6
87.72369	1.2
89.03928	1.4
91.05486	24.4
93.03398	6.2
93.07044	43.5
95.04967	3.2
95.08596	1.3
95.89649	1.2
97.63150	1.2
98.03671	1.4
103.05467	4.2
105.07033	22.5
106.04180	1.1
106.07827	2.7
107.04959	26.3
107.08598	19.2
108.04461	2.3
111.04453	4.4
116.06229	1.2
119.08589	2.3
121.02866	38.4
121.03976	13.3
121.06527	6.1
121.07524	0.9
121.10142	28.7
121.87014	1.0
122.09673	1.7
123.08025	1.8
131.04947	3.2
131.08594	6.9
149.02348	100.0
149.05968	6.4
149.07109	2.7
149.09625	93.0
149.13223	10.6
150.02698	1.6
150.05499	1.9
150.09033	1.6
150.10081	1.4
150.12746	2.0
168.94566	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.0963
Annotation	4-Isopropyl-2,4,6-cycloheptatrien-1-one
Peak:m/z	Relative Intensity
51.32098	0.7
53.03935	3.4
54.35669	0.7
55.01878	2.1
55.05503	2.4
56.96562	1.6
57.03423	0.9
65.03610	1.5
65.03939	18.0
67.05506	1.7
69.07062	3.4
70.11806	0.7
71.52621	1.0
77.03929	1.3
79.05067	1.5
79.05495	15.6
80.02602	0.7
81.07059	3.2
85.04826	1.3
88.89253	0.7
89.03901	2.5
91.05483	19.2
93.03413	4.0
93.07048	36.0
93.07634	2.0
95.04963	1.8
95.08578	1.3
100.32150	0.8
103.05470	3.5
105.04486	1.1
105.07033	20.6
106.07805	2.1
107.04960	26.4
107.08602	15.0
108.04477	1.6
109.06476	0.9
111.04434	3.2
115.05464	1.2
116.06236	2.4
119.08585	3.5
121.02866	25.3
121.03980	6.3
121.06492	4.4
121.10145	29.6
123.08043	2.9
129.07036	1.2
131.04945	1.8
131.08580	6.5
133.07611	1.7
134.03696	1.0
134.07338	0.9
149.02350	66.8
149.06013	11.7
149.09625	100.0
149.13235	7.2
150.10007	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	148.0606
Annotation	Unknow
Peak:m/z	Relative Intensity
51.76672	3.3
56.05027	8.6
58.70047	3.0
70.25829	4.9
84.04508	100.0
85.04839	10.1
102.05558	21.8
111.69125	3.4
130.04985	12.3
131.05296	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	149.0962
Annotation	4-Isopropyl-2,4,6-cycloheptatrien-1-one
Peak:m/z	Relative Intensity
53.03933	2.4
55.01871	1.5
55.05509	1.8
65.03940	9.9
69.54467	4.7
69.54878	1.5
79.05495	13.9
81.07059	1.9
82.75700	1.0
89.03913	8.5
91.05476	18.1
93.03407	1.6
93.07046	33.7
95.04949	2.2
98.39256	1.0
103.05445	5.8
105.04504	1.4
105.07033	21.7
106.07814	3.1
107.08578	4.6
111.04453	1.5
115.05506	1.5
116.06229	3.6
117.03372	6.4
119.08575	4.4
121.02872	16.6
121.03982	4.9
121.06512	4.2
121.10145	21.4
123.08039	2.0
131.08604	5.0
133.06616	0.9
133.07614	3.0
134.03564	1.6
149.02351	41.9
149.06004	10.5
149.09624	100.0
149.13237	1.9
150.09912	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	148.0605
Annotation	L-Glutamic acid
Peak:m/z	Relative Intensity
56.04469	0.4
56.05035	6.0
56.96560	1.6
71.43585	0.7
83.04985	0.5
84.04507	100.0
85.02903	2.1
85.04844	2.1
86.09702	1.8
102.04865	1.0
102.05547	19.9
120.02696	0.4
121.02939	0.6
130.05011	14.1
131.05319	0.8
133.46753	0.5
148.06062	2.5
149.02415	1.0
159.33679	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	144.102
Annotation	1-Aminocyclohexanecarboxylic acid
Peak:m/z	Relative Intensity
57.03421	0.4
62.66407	0.3
69.03438	0.5
69.31386	0.2
70.06595	5.4
70.17044	1.2
71.04984	0.4
73.02910	0.4
84.08137	0.9
85.02906	0.6
98.09698	100.0
99.04468	0.4
99.10019	0.8
100.02438	0.3
103.41305	0.3
114.00929	0.3
120.02042	0.5
121.01663	0.4
144.03276	0.3
144.10202	33.4
145.10551	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.0441
Annotation	5-Formylbenzofuran
Peak:m/z	Relative Intensity
65.03941	6.6
68.92694	0.6
69.03413	1.5
69.61016	2.1
69.61448	3.0
69.70355	0.7
76.52673	0.7
76.92841	0.7
84.04503	8.1
85.02873	0.8
91.05482	76.5
92.05816	1.0
98.21494	1.0
105.07076	0.9
119.04945	100.0
120.05283	0.9
130.05026	2.5
144.34479	0.8
147.04414	56.5
148.04752	1.6
169.51736	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	144.102
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	0.4
55.01891	0.6
55.05504	0.4
57.03430	1.5
60.04510	0.4
60.08171	0.8
67.05544	0.5
69.03421	0.8
70.06595	5.5
70.64160	1.1
71.05009	1.7
77.61304	0.4
80.30693	0.4
81.03429	0.7
84.04494	0.5
84.08144	2.9
85.02909	3.5
85.06549	1.1
93.95038	0.4
97.02890	0.5
98.06068	2.4
98.09696	100.0
99.04450	4.7
99.09996	1.0
100.02489	0.9
101.00867	0.5
102.01015	1.0
103.00632	0.7
119.01924	1.0
120.01999	1.2
121.01672	0.9
126.05496	0.5
127.03921	0.8
142.03572	0.4
144.03470	0.5
144.06554	1.7
144.10201	32.2
144.13861	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	144.102
Annotation	Unknow
Peak:m/z	Relative Intensity
55.69928	0.3
60.08166	0.7
67.05494	0.5
70.06592	6.2
71.06152	0.6
72.87905	0.2
84.08147	1.1
85.02913	0.3
85.06532	1.2
92.16322	0.3
94.06576	0.4
98.09696	100.0
99.10023	1.2
119.01885	0.3
119.50654	0.3
124.10500	0.3
136.48589	0.3
144.10201	35.1
144.13852	0.8
145.10551	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	143.1068
Annotation	Unknow
Peak:m/z	Relative Intensity
50.92992	1.3
55.05515	12.5
57.07083	10.3
59.05006	1.9
60.95836	1.4
67.05512	7.5
69.03443	12.2
69.07055	1.4
69.98867	1.4
70.06593	2.0
71.05000	63.2
71.52929	1.9
73.06554	7.8
79.05497	3.3
81.07047	3.0
83.04987	6.0
83.08627	3.0
84.08139	1.7
85.06082	2.1
85.06552	31.9
85.45643	1.6
88.29320	1.4
90.81042	1.3
91.05482	2.3
97.02903	22.0
97.10164	6.9
98.06037	2.8
98.09692	9.9
105.07055	1.6
107.08608	23.2
119.65786	1.3
125.02366	28.7
125.09643	16.3
128.06180	4.7
143.03409	100.0
143.08565	2.1
143.10674	5.5
144.06602	2.3
144.10258	4.5
144.13864	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	144.0809
Annotation	3-METHYLQUINOLINE
Peak:m/z	Relative Intensity
51.69301	0.2
53.03938	0.3
55.01866	0.3
65.03963	0.2
66.97426	0.2
69.62540	1.6
70.06600	0.5
70.56382	0.3
71.04981	1.0
81.03413	0.3
84.08153	0.3
85.02895	1.0
91.05497	2.1
98.06040	1.2
98.09697	5.0
99.04451	2.2
102.96834	0.3
103.05473	2.2
108.31992	0.2
115.05453	4.7
117.05803	1.5
117.07018	15.7
118.06554	0.5
126.02675	0.3
127.03930	0.5
127.05408	0.4
128.04951	1.0
128.06203	0.6
142.06546	0.4
143.07306	11.8
143.99429	0.3
144.08084	100.0
145.06543	1.6
145.08479	1.3
146.06001	0.6
155.06044	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	139.0391
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.7
55.01876	4.0
55.05503	1.6
56.96570	15.9
65.03941	6.1
67.01871	1.1
67.05497	1.5
68.99795	4.8
69.03436	2.0
69.36602	2.8
71.01359	0.7
74.40462	0.3
75.76350	0.4
77.96751	0.3
83.04987	5.3
93.03409	4.5
94.06538	0.4
95.06911	0.7
97.02879	1.9
97.99193	0.7
98.97585	5.7
98.98461	0.8
111.04447	20.6
111.06363	0.8
116.98628	2.3
121.02842	1.0
121.03976	0.4
134.99695	0.6
138.05515	0.5
139.03911	100.0
139.05795	5.7
139.11177	0.7
140.04280	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	142.035
Annotation	Unknow
Peak:m/z	Relative Intensity
52.40678	4.7
61.88074	4.5
66.48844	5.6
70.48869	14.6
74.22060	4.2
82.46851	4.7
101.00892	57.5
119.01921	100.0
124.02485	8.8
134.93324	4.8
137.02960	16.1
142.03494	44.4
147.53865	4.5
160.04485	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	142.035
Annotation	Unknow
Peak:m/z	Relative Intensity
53.23576	2.9
60.04530	7.9
69.41579	3.3
69.55231	22.0
81.04543	100.0
82.99828	8.8
83.06103	12.2
95.06096	27.7
97.45727	4.1
100.97247	3.6
101.00887	30.9
110.10566	4.0
119.01929	54.3
124.02509	3.7
124.07887	6.4
124.08718	71.5
125.07147	17.7
137.02975	7.5
142.03517	32.8
142.09758	17.3
160.04562	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	139.0391
Annotation	Sesamol
Peak:m/z	Relative Intensity
53.03939	0.8
55.01873	3.9
55.05519	1.6
56.96567	10.0
59.61132	0.3
65.03942	6.1
67.01870	1.8
67.05492	1.4
68.99787	5.0
69.03430	2.1
69.07039	0.3
69.35890	0.8
69.36316	1.6
70.28738	0.3
71.01334	0.8
82.46368	0.3
83.04977	4.8
93.03406	4.7
93.05330	0.4
93.07042	0.4
94.06592	0.5
95.04958	0.4
95.06894	0.9
95.08661	0.2
96.08136	0.5
97.02899	2.0
97.06557	0.3
97.99204	0.5
98.97583	2.4
98.98174	0.3
98.98476	0.4
111.04446	22.1
116.98624	1.1
121.02891	0.6
121.03986	0.7
122.06055	0.7
122.06904	0.3
125.26540	0.3
134.99640	0.4
137.68748	0.3
138.05481	0.5
139.03905	100.0
139.05794	5.3
139.11157	0.6
140.04265	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	139.039
Annotation	Sesamol
Peak:m/z	Relative Intensity
53.03960	2.0
55.01872	4.1
55.05500	1.6
56.96563	3.0
57.11819	0.4
57.28271	0.4
58.59266	0.4
65.03624	0.4
65.03943	8.0
67.01866	2.9
67.05512	4.8
67.57631	0.4
68.99437	0.7
68.99786	7.5
69.03423	1.5
70.57034	1.0
71.01350	1.4
82.79900	0.4
83.04985	5.2
93.03408	7.7
95.04949	1.7
95.06895	0.4
97.02900	2.2
98.97585	1.8
98.98454	0.5
99.00825	0.6
108.83564	0.4
111.04443	20.2
116.98619	0.8
121.02869	1.5
138.05493	0.6
139.03906	100.0
139.05789	4.9
140.04221	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	138.0551
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	0.6
59.78394	0.2
61.85703	0.2
65.03932	0.8
65.11118	0.2
67.05505	0.6
69.73678	1.2
78.03455	0.7
86.07120	0.2
91.05472	0.7
92.05013	6.6
93.05780	0.4
93.07045	1.7
94.06572	13.3
95.04946	0.3
96.04502	1.8
103.05444	1.2
110.06049	6.0
120.95512	0.2
121.06512	14.1
122.06837	0.2
136.03938	0.4
138.05507	100.0
139.05879	1.3
141.35507	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	138.0661
Annotation	Unknow
Peak:m/z	Relative Intensity
50.29956	0.8
51.03457	0.7
54.54526	0.7
56.05037	5.6
65.03963	0.8
69.04551	15.4
69.61450	2.7
69.61880	2.5
81.04082	0.7
81.04557	1.7
83.06105	13.2
92.05009	5.1
93.05823	0.8
94.06564	10.9
97.04006	1.4
97.10378	0.8
98.21522	1.2
104.92181	0.8
108.53604	0.7
109.04017	3.4
110.06052	5.5
110.07162	25.3
110.07889	1.7
111.05569	2.2
121.06537	0.7
123.04282	7.3
129.52203	0.8
138.05501	100.0
138.06621	39.7
139.05847	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	138.055
Annotation	Trigonelline
Peak:m/z	Relative Intensity
53.03938	0.5
53.81798	0.1
61.05938	0.2
65.03935	0.7
67.05495	0.7
71.04042	0.2
74.36456	0.2
78.03455	0.7
79.04208	0.2
83.36024	0.2
91.05494	0.2
92.05009	6.6
93.05779	0.5
93.07033	0.3
94.06570	14.5
95.00409	0.2
96.04482	1.8
110.06046	6.5
111.26851	0.2
120.04476	0.2
121.06493	1.4
126.79644	0.2
135.15320	0.2
136.03949	0.2
138.05502	100.0
139.05865	1.7
144.29005	0.2
154.05000	0.4
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
53.03933	1.7
53.07812	1.3
53.96735	1.4
65.03908	1.9
67.05476	1.4
69.03424	3.4
70.91029	3.7
79.05484	3.6
81.03423	1.6
81.07064	9.4
82.18459	1.3
91.05473	6.1
92.05010	7.7
93.07044	1.9
94.04194	3.4
94.06576	11.7
95.04973	3.0
96.04518	1.5
109.06515	6.3
109.59673	1.5
110.06036	7.0
118.52546	1.7
119.05000	2.8
121.06489	2.4
122.03667	6.3
137.02423	2.8
137.05977	100.0
138.05502	84.2
148.73972	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0962
Annotation	4-Propylphenol
Peak:m/z	Relative Intensity
53.03942	1.1
55.01850	0.6
55.05510	1.0
61.52105	0.7
65.03928	0.7
67.05511	16.7
69.03417	0.7
69.84162	2.2
69.84586	1.3
79.05492	3.1
81.03461	0.9
81.07062	7.8
91.05484	8.9
92.04997	1.6
93.07034	3.2
94.04184	1.4
94.06576	2.7
94.07822	0.7
95.04985	1.9
95.08617	5.0
103.05483	0.9
104.06194	0.8
105.04478	0.8
106.64676	0.7
107.04963	9.4
107.08598	1.0
109.06523	1.8
109.10165	28.4
110.06020	1.7
117.07042	1.9
119.08594	11.9
121.06517	7.2
122.03676	2.0
122.07297	65.9
123.07612	1.1
135.08061	2.6
137.06015	7.0
137.09628	100.0
138.05519	23.2
138.09988	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.1326
Annotation	gamma-Terpinene
Peak:m/z	Relative Intensity
53.03920	1.4
55.05501	3.7
57.07082	11.2
63.93033	0.8
65.03931	1.6
67.05180	1.4
67.05506	21.1
69.07079	7.4
69.67522	4.5
75.82394	1.0
79.05501	9.4
81.07059	86.1
82.07391	1.5
91.05477	3.2
93.07038	5.8
94.04191	2.6
94.06551	1.1
95.08611	100.0
98.20853	1.6
98.74276	0.9
107.08604	1.3
107.61615	0.9
109.06490	2.5
109.10164	9.2
120.07685	0.9
122.03656	4.1
122.07282	1.2
137.02426	1.4
137.05963	10.9
137.09595	2.4
137.13269	18.8
138.05524	8.1
140.90131	0.9
155.93303	0.9
158.70027	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	136.062
Annotation	Adenine
Peak:m/z	Relative Intensity
62.10009	0.1
67.02976	0.2
71.51481	0.2
91.05476	0.2
92.02486	0.4
94.04056	2.8
95.98005	0.1
101.00898	0.2
104.07913	0.1
109.05122	0.4
113.00944	0.1
119.03558	7.8
120.03938	0.2
131.01900	0.4
136.06192	100.0
137.04601	2.9
137.06609	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0598
Annotation	3-Hydroxy-5-methylbenzaldehyde
Peak:m/z	Relative Intensity
53.03949	0.4
55.01871	0.4
55.04892	0.3
58.59661	0.3
59.86108	0.3
65.03937	1.0
66.04720	3.8
67.05512	0.4
69.15968	3.6
70.93305	0.3
74.80167	0.4
77.03934	0.9
78.14912	0.3
78.50196	0.4
79.05505	2.4
81.07052	1.3
84.40123	0.4
86.47670	0.3
88.90192	0.3
89.18586	0.3
91.05476	2.6
94.04192	25.5
95.05050	0.4
98.10970	0.4
105.03404	0.6
107.04955	1.6
109.06512	0.6
118.48878	0.3
122.03658	45.0
123.03996	0.7
135.04483	0.5
137.05984	100.0
138.06348	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.1169
Annotation	o-Cymol
Peak:m/z	Relative Intensity
51.87814	2.8
53.03929	10.5
55.05507	12.4
56.96551	7.4
65.03959	2.5
67.05508	20.2
69.07058	7.8
70.07868	3.0
71.05244	5.1
72.92256	2.4
79.05492	74.5
81.07052	20.2
81.65169	2.7
89.03902	19.0
91.05483	38.4
93.07041	100.0
95.04941	9.8
96.65251	2.6
99.88107	2.2
105.04501	3.4
105.07019	15.1
105.23742	2.3
107.04971	15.1
107.08597	93.6
109.06499	5.7
109.11181	2.3
110.29134	3.3
112.00987	3.8
115.05460	3.4
117.03369	7.2
117.07014	4.7
117.67455	2.3
119.06024	3.0
119.08584	3.7
121.01540	8.4
122.96992	2.7
135.04414	35.6
135.05472	5.4
135.06522	3.0
135.08057	25.1
135.11691	83.1
136.02182	24.9
136.06171	30.9
136.07620	5.1
138.39920	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	135.117
Annotation	o-Cymol
Peak:m/z	Relative Intensity
53.03952	8.2
54.50708	1.4
55.01871	2.2
55.05509	12.6
56.96576	9.7
57.07072	2.5
62.89244	1.6
65.03935	2.3
67.05501	4.1
69.07070	9.1
69.88035	6.0
77.03926	3.3
79.05072	2.2
79.05498	33.6
81.07050	4.4
84.97652	1.6
87.08088	2.5
89.03915	7.2
91.05487	42.5
92.06248	1.5
93.07053	66.2
95.04965	6.1
105.04559	4.1
105.07029	16.9
107.04967	9.0
107.08599	100.0
108.08951	2.2
109.06499	4.3
115.05410	1.6
117.07017	2.0
119.06079	3.0
119.08617	11.8
120.09390	3.7
123.84290	1.5
126.33843	1.4
135.04440	21.3
135.05455	2.4
135.08049	10.3
135.11703	42.3
136.02174	7.9
136.06172	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	135.117
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	5.4
55.01880	0.8
55.05515	7.5
56.96569	4.0
57.07087	1.2
63.08469	0.7
65.03931	1.5
67.05509	2.6
67.27723	0.6
69.07059	2.4
69.46334	2.6
69.46738	2.0
77.03950	1.1
79.05499	23.7
81.07059	2.3
83.56100	0.6
89.03924	16.5
91.05482	29.5
92.05800	1.1
93.07047	53.8
94.07867	1.0
95.04457	0.7
95.04961	4.9
97.70138	0.7
105.04498	3.0
105.07039	13.3
107.04954	7.1
107.08598	100.0
108.08942	1.3
108.46433	0.7
109.06552	3.5
112.01057	1.0
117.03374	7.9
117.07020	0.8
119.06062	3.7
119.08599	6.4
119.93054	0.8
120.09345	2.6
121.01516	1.6
123.66829	0.8
133.10081	1.0
135.04430	24.9
135.05426	1.5
135.08081	6.5
135.09988	2.8
135.11691	29.1
136.02197	5.2
136.05219	1.0
136.06175	7.0
136.07542	1.5
151.05888	0.7
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
53.03940	4.4
55.05515	8.9
55.24018	1.6
56.96561	3.4
57.07328	1.9
64.67638	1.4
67.05522	1.6
70.96708	3.5
79.05499	19.1
81.07025	3.5
82.02385	1.4
89.03924	3.8
91.05489	40.3
93.06493	3.2
93.07046	57.0
95.04964	4.9
98.09550	1.5
103.05570	1.5
105.04503	2.2
105.07031	24.2
106.07803	2.1
107.04970	3.6
107.08600	100.0
109.06506	2.9
111.94423	1.6
117.03364	2.7
117.07005	2.9
119.06063	6.2
119.08590	20.4
120.09297	4.9
121.01516	1.9
133.10115	1.6
135.04393	7.1
135.05336	1.7
135.08060	2.7
135.10707	3.3
135.11699	50.6
136.02184	4.1
136.06206	5.4
136.07590	2.5
147.09158	1.8
150.41096	1.6
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
53.03938	4.6
55.01878	2.2
55.05510	6.7
56.96554	1.4
63.06385	1.0
65.03934	1.6
66.85328	1.1
67.05480	2.2
69.07070	1.7
71.44028	1.3
78.65543	0.9
79.05495	22.2
81.07073	1.6
89.03922	2.1
91.05487	43.0
92.26040	1.1
93.07046	43.1
95.04993	5.5
95.08599	1.9
103.05440	1.5
105.04514	2.7
105.07032	19.3
106.04099	1.2
107.04945	5.9
107.08597	100.0
108.08900	1.1
109.06519	5.1
115.05471	1.5
117.06985	4.8
119.06053	5.2
119.08589	16.1
120.09354	4.6
121.01633	1.3
127.12901	1.2
135.04448	16.0
135.05475	1.8
135.06451	2.2
135.08054	12.8
135.10701	2.1
135.11694	36.7
136.02150	4.7
136.03914	1.7
136.06172	8.1
136.07164	1.0
136.07539	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.1169
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	4.6
55.01878	2.2
55.05510	6.7
56.96554	1.4
63.06385	1.0
65.03934	1.6
66.85328	1.1
67.05480	2.2
69.07070	1.7
71.44028	1.3
78.65543	0.9
79.05495	22.2
81.07073	1.6
89.03922	2.1
91.05487	43.0
92.26040	1.1
93.07046	43.1
95.04993	5.5
95.08599	1.9
103.05440	1.5
105.04514	2.7
105.07032	19.3
106.04099	1.2
107.04945	5.9
107.08597	100.0
108.08900	1.1
109.06519	5.1
115.05471	1.5
117.06985	4.8
119.06053	5.2
119.08589	16.1
120.09354	4.6
121.01633	1.3
127.12901	1.2
135.04448	16.0
135.05475	1.8
135.06451	2.2
135.08054	12.8
135.10701	2.1
135.11694	36.7
136.02150	4.7
136.03914	1.7
136.06172	8.1
136.07164	1.0
136.07539	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.0806
Annotation	Indan-1-ol
Peak:m/z	Relative Intensity
51.50735	1.4
53.03951	10.8
55.01873	12.5
55.05502	6.1
56.96555	4.2
65.03947	7.7
67.05505	11.4
69.03442	14.0
69.07056	3.1
69.35394	4.8
69.35816	7.5
70.35229	1.5
77.03916	3.2
79.05494	74.3
81.03422	1.8
81.07051	3.5
89.03916	17.9
91.05483	94.3
92.06258	2.2
93.07046	54.6
95.04978	13.8
98.01292	2.2
105.04523	5.1
105.07034	35.0
106.04182	1.8
107.04967	17.6
107.08596	100.0
109.01112	2.8
109.06522	12.3
112.01042	4.8
115.05454	26.9
115.30315	1.6
117.03377	6.7
117.07023	25.5
119.03547	3.3
119.06079	9.7
119.08582	4.6
120.05692	1.8
121.01553	5.0
124.05232	1.9
130.31927	1.4
133.10141	1.6
135.04437	41.5
135.05534	4.0
135.08058	72.0
135.10725	2.4
135.11697	31.5
136.02164	27.2
136.03871	2.1
136.05159	2.9
136.06189	32.5
136.07558	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	135.0442
Annotation	Phenylglyoxal
Peak:m/z	Relative Intensity
53.03939	9.2
55.01863	2.4
55.05497	5.3
56.96567	8.4
65.03938	2.3
67.05495	2.8
69.07052	3.4
70.34642	1.0
71.52893	1.7
79.05494	33.5
81.07056	3.4
89.03918	80.9
91.05485	18.5
93.07041	26.3
95.04967	7.5
101.15280	1.4
101.83946	1.2
105.04497	3.3
105.07039	8.4
107.04958	24.7
107.08591	47.7
109.06487	1.7
112.01010	2.4
115.05460	2.0
117.03381	37.6
117.07021	3.1
118.96198	1.1
119.08595	3.9
120.09338	1.3
121.01512	2.0
135.04420	100.0
135.08054	11.9
135.09047	1.8
135.11685	22.7
136.02171	8.8
136.03893	1.6
136.06180	13.1
145.04010	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.0806
Annotation	Indan-1-ol
Peak:m/z	Relative Intensity
53.03940	5.0
55.01876	18.0
56.96570	6.4
61.62713	1.0
65.03938	9.4
67.05505	9.1
69.03085	1.6
69.03433	19.7
78.45181	1.2
79.05500	57.0
89.03924	2.3
91.00539	1.1
91.05486	100.0
92.05776	1.7
92.06287	2.2
93.07043	19.1
95.04964	7.6
105.04536	1.9
105.07034	39.3
107.04961	10.0
107.06104	1.7
107.08599	76.2
108.08915	1.4
109.06512	12.8
111.65313	1.0
112.01038	4.6
115.05462	27.3
117.07030	26.2
119.03541	1.6
119.06077	10.3
119.08585	2.1
120.05693	2.2
121.01559	4.4
121.65092	1.1
123.51811	2.9
135.04420	9.8
135.05542	5.5
135.08063	69.2
135.11711	8.0
136.02184	15.8
136.03964	3.6
136.06189	29.2
136.07500	3.2
136.08475	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.0442
Annotation	Unknow
Peak:m/z	Relative Intensity
51.85860	0.7
53.03949	5.3
55.01870	1.2
56.96550	2.5
63.02364	2.1
65.25783	0.8
69.07054	1.0
69.43562	2.3
69.43976	3.5
79.05495	26.1
79.13930	0.7
89.03922	54.4
91.05482	4.8
92.05785	0.9
93.07032	2.2
95.04986	3.7
98.20770	1.6
105.04520	2.5
105.07031	2.6
107.04964	17.1
107.08604	4.5
112.01006	0.9
117.03384	24.9
121.01524	1.2
133.02940	1.6
135.04420	100.0
135.06403	2.7
135.08051	4.5
135.09076	1.5
135.11700	2.4
136.02162	6.4
136.03886	1.3
136.04871	1.2
136.05063	1.3
136.06172	10.4
136.07632	1.2
145.30905	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.0442
Annotation	o-Phthalaldehyde
Peak:m/z	Relative Intensity
53.03945	6.7
55.01870	1.6
55.05503	3.0
56.96566	6.4
57.07069	0.6
63.02365	3.4
65.03927	2.0
67.05501	1.4
69.03439	0.8
69.07044	1.3
71.24044	0.7
71.52630	0.8
77.03914	1.0
79.05495	26.3
81.03416	1.1
81.07052	2.4
87.08105	1.7
89.03918	79.5
91.00500	1.0
91.05478	14.1
93.07037	18.6
94.07874	0.9
95.04968	5.3
97.99203	0.8
105.04509	4.0
105.07044	7.9
107.04959	21.9
107.08597	31.2
109.06503	1.3
112.01008	2.3
115.05423	1.4
117.03378	37.4
117.07021	2.5
119.06046	1.3
119.08585	3.8
120.05714	0.9
121.01577	1.4
130.06540	1.0
135.04420	100.0
135.08040	9.8
135.10027	1.4
135.11684	14.3
136.02164	10.4
136.03871	0.9
136.04875	0.9
136.05066	1.0
136.06194	8.0
136.07555	1.4
145.03944	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	135.0441
Annotation	o-Phthalaldehyde
Peak:m/z	Relative Intensity
53.03945	4.5
53.73464	0.8
58.07179	0.9
62.98697	0.7
63.02367	3.4
69.40685	0.8
69.49799	5.8
69.98824	0.9
77.03917	1.1
79.05491	15.1
79.32455	0.8
89.03917	88.5
90.04247	1.3
91.05485	1.4
91.07523	0.8
95.04970	3.3
105.04513	2.2
107.04958	16.8
107.08601	0.9
109.15621	0.8
113.83788	0.9
117.03378	41.3
124.10864	0.8
129.55464	0.9
135.04414	100.0
136.02190	2.0
136.04819	0.9
136.06171	2.4
145.04028	1.8
151.28816	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	134.0602
Annotation	Oxindole
Peak:m/z	Relative Intensity
53.03948	0.7
58.28184	0.2
59.71044	0.3
65.03924	0.3
69.27091	1.1
69.27522	1.4
74.02441	1.8
78.22339	0.2
79.05494	11.1
79.50377	0.2
85.10223	0.3
88.04002	0.8
89.03897	0.4
91.05479	1.0
91.08894	0.3
93.07017	1.3
95.04958	0.6
98.21482	0.4
105.03392	9.0
105.07072	0.6
106.06555	53.5
107.04981	1.4
107.06891	0.6
107.08601	2.8
116.04978	0.9
119.08623	0.3
133.96365	1.3
134.06017	100.0
134.10507	0.8
135.04422	1.0
135.06387	1.4
135.11682	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	134.0966
Annotation	Tranylcypromine
Peak:m/z	Relative Intensity
50.42785	0.4
51.20591	0.4
53.03940	0.5
55.05515	0.5
55.67566	0.3
56.96556	0.9
65.03927	0.4
67.05489	0.9
69.07087	0.3
70.06577	0.6
71.04971	0.4
71.53040	0.5
71.53728	0.3
71.73942	0.3
74.02439	5.8
74.06082	0.6
75.02778	0.5
79.05498	3.9
80.04989	0.4
86.52718	0.6
88.04002	3.3
89.03916	0.8
91.05482	2.6
92.05006	0.9
93.05772	1.0
93.07043	2.6
95.04955	0.4
105.03427	0.4
105.04485	0.4
105.07020	1.8
106.06556	4.5
106.07368	2.2
107.04945	1.4
107.08576	4.2
107.94771	0.3
111.02057	0.4
111.21333	0.3
115.05448	1.0
116.03455	0.4
117.03304	0.4
117.07053	2.6
118.06547	33.6
119.07333	19.7
119.08002	0.2
120.07738	0.4
123.07970	0.4
130.43343	0.3
132.08092	1.6
132.08963	0.5
133.08910	0.5
134.06018	8.7
134.09650	100.0
135.04413	3.1
135.08049	0.6
135.09991	1.0
135.11679	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	134.0451
Annotation	Aspartate
Peak:m/z	Relative Intensity
53.03917	4.8
53.20220	4.0
56.96558	5.6
57.03203	5.3
57.03444	83.4
61.02916	6.5
62.68649	4.2
65.52170	7.0
69.03416	20.2
69.52417	5.2
69.86737	20.7
72.52958	16.7
73.02925	13.5
77.00902	6.0
77.52163	17.2
78.52949	15.6
79.02158	11.2
79.51199	5.4
80.52700	8.6
81.03410	12.1
82.01443	30.8
82.99847	9.2
84.52940	8.2
85.02911	6.9
85.53713	9.2
86.52707	91.2
87.02730	8.4
88.02681	24.1
88.51699	14.9
89.01738	4.9
89.51575	5.2
92.52696	7.9
93.01882	10.1
93.53452	7.3
94.54243	6.2
95.53237	36.5
96.03287	7.6
98.52709	4.7
99.53462	18.5
99.99989	5.1
100.02486	53.8
101.00887	81.3
101.02530	7.7
102.00956	16.2
102.02411	15.2
108.53979	5.4
111.02931	14.3
113.00856	19.8
113.53194	5.8
115.02441	8.4
116.20818	4.6
118.03516	11.3
119.01923	70.8
119.48999	9.2
120.02021	12.9
121.01665	9.8
122.53696	8.6
124.02438	35.0
124.46497	4.2
125.99222	7.2
126.04009	5.1
128.49487	21.2
128.99525	8.2
131.01915	41.2
137.03004	10.3
137.50014	37.2
138.00076	17.4
138.49887	13.3
142.02443	7.2
142.03506	100.0
143.01909	13.5
143.03612	16.7
144.03241	9.5
145.03505	6.4
147.01411	5.9
154.03474	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	133.1013
Annotation	Tetralin
Peak:m/z	Relative Intensity
53.03953	0.8
55.05515	3.5
65.03930	0.9
67.05499	2.1
69.13422	0.5
70.06590	0.7
70.12641	2.7
74.02439	4.9
79.05502	3.5
87.05601	1.5
88.02213	1.3
88.04002	1.1
91.01258	0.5
91.05487	31.5
92.05818	0.8
93.07059	1.1
103.05463	1.5
105.07035	100.0
106.07321	1.0
112.02197	1.1
115.05482	1.2
117.07068	0.6
118.07786	0.7
123.07932	1.5
131.08551	4.9
133.02817	0.7
133.06502	3.5
133.07626	2.1
133.10136	42.4
134.07082	0.7
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
53.03948	0.8
55.05520	1.7
55.89768	0.3
67.05505	0.4
70.77743	0.7
70.98801	0.2
71.96910	0.3
74.02444	5.6
77.03927	0.4
79.05494	3.8
87.05589	1.9
88.03996	0.6
91.05482	13.6
93.07043	3.9
95.04956	0.7
103.05453	2.0
105.07032	37.6
106.07365	0.5
107.08592	0.7
115.05463	4.1
116.03464	0.6
116.06229	0.8
117.07010	4.4
118.07801	5.4
118.08592	0.4
123.07909	0.4
129.07018	0.5
131.08566	4.9
133.10130	100.0
134.06067	0.3
134.10487	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.1014
Annotation	alpha,4-Dimethylstyrene
Peak:m/z	Relative Intensity
53.03945	1.7
55.05503	2.5
58.20203	0.4
58.75760	0.4
59.59282	0.4
60.56754	0.4
67.05516	0.9
69.41929	0.5
69.67799	2.7
74.02444	7.0
79.05499	5.4
80.38696	0.5
87.05600	2.9
88.02241	0.5
88.04009	0.7
91.05488	18.9
93.07049	5.0
95.04980	0.9
103.05457	3.0
105.07037	63.4
106.07356	1.3
107.08615	1.7
112.02184	0.8
115.05469	5.3
116.03505	0.7
116.06178	0.6
117.07031	5.7
118.07805	6.3
123.07934	0.8
124.05377	0.5
129.06984	0.5
131.08575	8.6
133.06602	2.5
133.10138	100.0
134.10469	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	133.061
Annotation	Unknow
Peak:m/z	Relative Intensity
50.16116	0.7
60.04529	1.3
63.53661	0.6
65.35155	0.6
70.02956	7.1
70.06596	1.3
71.01112	1.0
71.01432	1.0
71.02161	0.6
71.04970	0.9
73.58638	0.7
74.02446	100.0
87.05598	39.8
88.04002	12.2
95.73332	0.7
99.00822	0.8
99.01862	0.8
116.03458	11.1
133.06076	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	133.061
Annotation	L-Asparagine
Peak:m/z	Relative Intensity
52.89405	0.6
56.96560	1.4
57.00829	0.6
63.52604	0.5
65.75754	0.6
69.59096	4.1
70.02969	7.6
71.05011	0.9
72.08155	0.6
74.02444	100.0
81.04546	1.0
87.05594	40.6
88.03993	12.5
97.02917	0.6
98.02442	0.8
98.59100	0.6
99.00818	0.6
112.02214	2.2
113.03024	0.8
116.03467	10.6
123.07917	3.5
124.08308	0.8
133.06061	7.7
144.04823	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.061
Annotation	L-Asparagine
Peak:m/z	Relative Intensity
62.89681	2.1
63.52691	2.1
69.63707	11.0
69.64113	5.2
70.02943	4.4
74.02444	100.0
74.51808	1.9
87.05595	36.6
88.03990	12.8
116.03481	10.5
133.06085	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	132.0212
Annotation	Unknow
Peak:m/z	Relative Intensity
51.43244	10.2
56.16588	11.0
58.06594	19.5
66.43993	10.5
70.06609	16.4
70.47961	27.7
70.48335	18.0
74.02439	73.8
84.08159	14.7
87.05571	29.1
98.06062	13.0
106.57574	10.4
119.02026	11.4
127.18043	11.2
132.10226	100.0
142.41682	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	132.1021
Annotation	Isoleucine
Peak:m/z	Relative Intensity
56.96560	1.6
57.03430	0.6
59.20219	0.4
68.26176	0.5
69.03418	0.6
69.07071	3.9
70.06279	0.6
70.06651	0.9
74.02451	3.4
86.09709	100.0
87.05602	1.3
87.10062	0.8
89.00793	1.1
98.01319	0.6
98.97564	1.0
123.08045	0.5
132.10219	1.6
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	Unknow
Peak:m/z	Relative Intensity
55.01874	4.6
55.05515	11.4
56.96561	4.1
57.03435	6.0
57.07069	3.4
59.05009	16.7
67.05513	14.9
69.03441	15.9
69.07070	100.0
70.06577	1.5
71.04994	2.7
71.52155	2.1
74.09728	2.9
79.05493	5.9
81.07055	3.6
82.06580	2.1
82.31308	1.4
83.04998	8.1
83.06100	4.0
83.08624	2.2
84.04504	16.7
84.05291	1.7
84.08147	87.1
84.14050	1.3
85.06543	11.8
87.04440	3.9
97.02917	2.0
97.06535	1.8
101.06021	4.4
106.52113	3.0
109.79278	1.6
111.04449	5.2
111.05602	1.4
111.08092	5.0
112.07607	26.8
112.11266	4.1
115.52647	5.3
129.01855	17.4
129.04556	2.1
129.05502	10.1
129.09172	1.7
129.13913	1.6
130.06511	3.6
130.08643	27.7
130.15930	7.9
139.09766	1.4
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	L-Pyroglutamic acid
Peak:m/z	Relative Intensity
56.05033	4.5
56.10840	1.4
60.05647	8.1
70.06594	14.9
70.86523	3.3
70.86865	1.7
71.04996	16.4
71.91921	1.3
72.41799	1.4
79.55837	1.4
84.04505	100.0
84.08147	45.6
85.02917	4.6
85.04819	1.5
102.05535	1.4
105.57447	1.5
126.57292	1.3
130.04997	13.5
130.08640	11.6
130.09763	10.6
136.60988	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	130.0865
Annotation	CYCLOLEUCINE
Peak:m/z	Relative Intensity
56.05042	2.5
57.03420	0.3
67.05495	0.3
69.03439	1.1
70.06596	2.6
70.85294	0.7
71.05000	0.4
82.01438	0.3
84.04514	10.9
84.08148	100.0
85.02903	0.3
85.08459	0.8
96.01956	0.3
96.60201	0.2
100.02513	0.3
112.07610	3.6
112.08447	0.3
112.08727	0.4
123.61263	0.2
130.05022	1.5
130.08649	19.6
130.12274	0.4
131.08917	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	125.1327
Annotation	Unknow
Peak:m/z	Relative Intensity
50.58016	1.2
55.05518	20.7
56.05027	1.5
57.07086	6.1
66.16109	1.3
67.04240	1.4
67.05494	2.4
67.74754	1.4
68.05002	1.7
69.03424	1.4
69.07074	100.0
71.52501	1.6
77.39288	1.4
79.40165	1.4
80.05006	1.8
82.06124	2.2
82.06587	37.2
83.06099	5.2
83.08621	22.2
84.04489	1.7
84.06425	1.4
97.02895	1.7
97.07629	1.7
101.01520	1.1
108.04477	7.0
115.57681	1.5
125.04297	5.9
125.06005	1.4
125.07172	6.8
125.08297	6.6
125.09050	27.6
125.10728	6.6
126.05507	4.4
126.09154	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	124.0245
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	0.3
56.96548	0.3
57.03433	1.1
58.06591	1.3
58.99853	0.8
59.07375	0.4
59.80656	0.2
60.08154	0.4
61.02910	0.7
67.05502	0.9
69.01913	0.5
69.03438	1.0
70.16359	0.9
70.99857	0.7
71.52188	0.4
72.01353	0.3
73.02904	0.3
75.01896	0.3
78.03463	0.4
78.06335	3.9
78.52961	1.4
78.56502	0.3
79.05489	0.5
79.52850	0.3
80.02950	0.3
80.05020	1.4
80.52707	0.7
81.01902	1.6
81.03430	0.4
81.04548	6.1
81.05817	0.3
82.01431	1.8
82.99850	2.9
83.01506	3.3
84.01199	0.6
84.08102	0.3
85.02137	0.4
85.02913	0.4
85.53748	0.4
86.52714	1.2
89.00871	0.4
89.52322	0.3
90.02423	0.6
91.53746	0.4
92.52715	1.3
94.02693	1.0
94.06544	0.6
94.52793	0.3
95.06098	1.9
96.04491	0.7
96.08117	0.5
97.05299	0.6
98.01278	0.4
99.02968	0.4
99.09185	0.4
100.02481	5.1
101.00886	33.3
101.02554	9.5
101.53219	0.8
102.00944	0.5
102.02255	2.1
103.00645	0.3
103.03217	1.0
107.06081	0.3
107.07338	0.7
109.05293	0.4
110.04783	1.7
110.06030	0.3
112.03705	1.4
113.00963	0.3
114.53973	0.3
115.02442	0.4
117.10261	2.1
118.03532	2.2
119.01927	100.0
119.03661	4.4
120.02004	2.0
120.03299	0.9
121.01653	0.6
121.04254	0.5
123.59480	0.3
124.02483	1.1
124.03955	7.7
124.06023	0.5
124.07603	11.8
124.08721	7.3
125.04385	0.3
125.07125	1.6
131.01892	1.4
133.03474	0.6
137.02962	28.5
138.03062	0.3
142.03505	9.1
143.01920	1.0
143.03583	0.4
143.11760	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	124.0246
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01899	0.3
56.96560	0.8
57.03429	0.3
58.06604	0.2
58.98207	0.2
58.99865	0.3
59.99946	0.4
69.03414	0.4
70.99851	0.5
71.51363	0.3
78.06326	0.5
78.52976	0.5
79.05501	0.2
80.05019	0.3
81.01931	0.3
81.03391	0.3
81.04556	0.7
82.01427	1.5
82.99844	6.6
83.01493	2.2
84.01186	0.5
84.88976	0.2
85.02769	0.2
86.52683	0.4
94.02661	0.4
94.03220	0.4
95.06116	0.2
100.02493	2.8
101.00884	51.2
101.02550	5.6
101.53197	0.3
102.00968	0.9
102.02239	1.1
103.00625	0.3
111.00430	0.4
112.03696	0.7
115.02407	0.2
116.46471	0.2
118.03519	0.7
119.01923	100.0
120.02007	1.5
121.01611	0.3
121.02383	0.5
121.04214	0.2
124.02510	1.2
124.03951	2.5
124.04772	0.3
124.07645	1.0
124.08699	0.7
131.01927	0.4
133.01636	0.2
133.03493	0.4
137.02957	18.5
138.03056	0.3
142.03491	7.5
143.01933	0.2
143.03658	0.3
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	2-Amino-5-methylphenol
Peak:m/z	Relative Intensity
51.23225	0.4
56.96567	0.5
58.17892	0.5
63.58707	0.4
65.03939	2.1
67.05494	0.5
70.69107	0.5
70.69425	1.0
78.03452	0.5
79.05488	3.7
80.05013	3.2
81.04551	1.0
81.05345	0.5
82.02940	0.8
82.06573	0.8
83.01527	0.7
92.05014	8.5
93.05800	0.9
95.06071	0.6
96.04498	3.7
96.08155	0.9
101.00880	2.5
101.02596	1.3
106.06564	8.0
108.04475	1.1
109.05265	100.0
112.03999	2.1
119.01933	6.0
124.03961	23.1
124.05959	1.5
124.07597	64.6
125.07920	0.8
132.74254	0.5
137.02983	1.4
140.03468	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	124.0245
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	0.4
56.96564	1.0
57.03432	0.7
57.34977	0.2
57.50623	0.3
58.06600	0.6
58.99862	0.8
59.07375	0.5
60.01396	0.3
60.08176	0.4
61.02922	1.4
67.05505	0.6
69.01933	0.3
69.03440	1.9
70.65137	0.7
70.99847	1.7
71.52175	0.5
72.37333	0.2
73.02182	0.2
73.02929	0.6
75.01920	0.5
77.00907	0.8
77.41151	0.3
78.06339	3.2
78.52979	2.0
79.05491	0.3
79.52823	0.3
80.02940	0.4
80.05023	1.1
80.52705	1.0
81.01903	0.8
81.03415	0.3
81.04549	2.9
81.52571	0.3
81.99967	0.4
82.01424	2.3
82.06571	1.2
82.99849	4.9
83.01503	4.6
83.04974	0.4
84.01203	0.9
85.02136	0.3
85.02913	1.0
86.52692	1.0
88.02696	0.5
89.00890	1.3
90.02410	0.5
91.00516	0.6
91.53751	0.8
92.52706	0.9
94.02697	1.4
94.06598	0.4
94.07348	0.3
95.06083	0.7
96.04489	0.7
96.53006	0.3
97.02847	0.3
97.05276	0.4
97.07719	0.3
99.09235	0.3
100.02489	4.3
101.00887	42.3
101.02557	10.9
101.53196	0.6
102.00954	0.9
102.02250	3.0
102.53066	0.3
103.00624	1.0
103.03212	0.9
105.53453	0.4
107.01931	0.3
110.04799	0.8
112.02895	0.5
112.03746	1.5
113.00867	0.7
115.02440	0.6
117.10273	1.7
117.10997	0.3
118.03551	1.3
119.01926	100.0
119.03658	4.4
120.02034	1.6
120.03262	0.8
121.01655	0.9
121.04274	0.9
123.04023	0.4
124.02565	1.5
124.03953	8.1
124.04672	0.3
124.05895	0.3
124.07594	6.2
124.08710	3.4
125.07121	0.7
131.01909	1.2
133.01665	0.7
133.03456	0.7
137.02963	20.7
138.03107	0.3
142.03502	8.3
143.01869	1.5
143.11827	0.4
144.03279	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.0442
Annotation	4-Hydroxybenzaldehyde
Peak:m/z	Relative Intensity
51.02381	2.4
51.55672	0.5
53.03946	3.8
55.01856	1.3
67.05507	5.4
70.00220	0.4
71.43978	0.8
77.03934	7.3
78.03439	0.6
79.05486	1.2
80.05030	4.1
80.70317	0.5
81.03427	0.8
81.07049	1.9
81.69911	0.5
82.01451	3.8
84.70245	0.5
95.04379	0.7
95.04970	12.7
95.08592	1.3
96.04489	1.9
100.02475	7.2
105.03395	8.6
105.04506	2.3
106.07359	1.2
108.07018	0.6
108.07670	2.1
112.03960	0.6
118.03545	2.6
123.04425	100.0
123.05520	16.9
123.08037	2.0
123.09187	1.0
123.09992	5.2
124.03951	3.1
124.04713	0.6
124.81808	0.6
141.76004	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.0406
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	1.4
57.03437	2.9
58.99855	2.3
61.02916	2.5
61.60654	0.5
63.42816	0.5
65.52208	0.5
67.05534	0.5
68.98283	0.6
69.01917	1.1
69.03433	2.9
69.91568	1.6
69.91981	1.2
70.99862	1.4
71.04984	0.7
71.52211	0.6
73.02924	2.7
75.93412	0.5
77.00898	0.9
77.52162	0.8
78.05204	0.6
78.06324	2.0
78.52966	3.2
79.02191	1.1
80.05013	0.8
81.01911	3.0
81.03411	2.2
82.01445	50.6
82.99828	2.1
83.01516	1.9
84.52974	0.9
85.02914	2.4
85.51891	0.7
85.53745	0.6
86.52702	1.6
87.01894	1.2
87.53471	0.7
88.02682	2.2
89.00893	0.8
90.02422	1.2
90.52957	0.6
92.52693	1.3
93.01880	2.1
93.52003	0.7
93.53484	1.1
94.02669	0.9
95.04955	0.7
96.04458	0.6
97.02891	2.1
98.52723	1.0
99.53471	0.9
100.02483	100.0
101.00885	14.4
101.02571	2.7
101.53216	0.9
102.02389	2.8
102.03000	0.6
103.03188	0.8
104.52656	0.6
111.02938	2.8
111.53063	1.0
113.00876	2.5
115.02451	1.5
117.10266	0.9
118.01177	0.8
118.03525	29.3
119.01926	25.5
120.01994	0.6
120.03378	0.6
121.01647	0.9
123.04424	1.3
123.05547	2.7
124.02470	1.8
124.03980	1.0
127.03835	0.7
131.01917	4.5
132.02028	0.9
137.03006	3.3
142.03511	5.8
143.01904	2.9
144.02171	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0193
Annotation	Unknow
Peak:m/z	Relative Intensity
52.24317	2.4
63.69325	2.4
65.52190	4.0
67.05492	3.0
68.23660	2.2
69.03087	3.9
69.03434	53.5
70.89173	2.9
70.89519	4.4
71.02987	10.0
72.52946	2.6
78.52962	9.4
80.02972	2.1
82.01452	36.1
82.99851	7.5
83.01509	4.5
85.01420	2.6
85.53734	4.1
87.53474	7.7
91.05464	5.3
91.53454	2.3
93.53470	7.6
100.02486	67.9
101.00894	47.9
101.02567	8.6
103.02456	6.0
107.05251	3.4
107.53220	7.6
116.53754	2.4
118.03512	22.3
119.01925	100.0
121.11340	2.7
124.02482	2.2
126.04034	2.6
127.31174	2.3
131.01970	2.3
133.03505	4.8
137.02972	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	121.0651
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02384	1.2
53.03949	15.0
55.01866	2.2
65.03944	0.8
65.99588	0.5
70.40906	1.9
71.77947	0.5
77.03931	5.4
79.63750	0.5
81.03415	2.1
91.05486	46.3
93.07046	49.0
94.07900	0.6
95.04973	14.1
102.04689	0.9
103.05470	62.1
104.05825	0.9
105.04521	7.6
121.06509	100.0
122.06853	1.3
127.69116	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	121.0651
Annotation	Phenylacetaldehyde
Peak:m/z	Relative Intensity
50.01588	0.7
51.02368	2.4
53.03946	18.6
55.01862	2.3
55.59923	0.5
56.39960	0.5
60.13268	0.6
65.03935	0.5
69.83336	2.9
77.03932	4.9
81.03406	2.1
91.05481	48.7
93.07043	55.8
95.04966	17.0
98.21490	1.1
102.04696	1.4
103.05468	66.5
105.04509	8.4
119.04910	0.9
121.06503	100.0
122.06865	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.0407
Annotation	Unknow
Peak:m/z	Relative Intensity
54.87964	0.7
58.99856	1.1
61.35267	0.6
71.52606	1.0
82.01447	54.8
82.99875	1.5
97.67857	0.6
100.02486	100.0
101.00890	10.0
101.02585	1.0
118.03529	26.7
119.01926	17.9
123.04070	0.9
136.85484	0.8
137.02953	3.1
141.05119	0.8
142.03557	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.0406
Annotation	Unknow
Peak:m/z	Relative Intensity
58.99849	0.8
61.40290	0.7
63.60286	0.7
68.04042	0.8
69.93150	1.7
69.93552	1.4
81.72591	0.7
82.01446	51.5
84.17536	0.8
88.39147	0.7
98.94775	0.6
100.02484	100.0
101.00872	5.7
101.02556	0.9
118.03522	26.1
119.01939	9.4
123.04040	1.4
137.02974	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.0406
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06592	1.7
58.99837	1.1
67.05495	2.1
68.52663	1.0
69.03425	1.5
70.41412	2.0
70.41801	1.8
77.89047	0.9
78.06326	3.5
80.05000	1.3
81.01891	1.9
82.01444	51.5
95.04955	2.2
97.05289	1.5
100.02485	100.0
101.00904	6.1
101.02573	1.4
110.28185	0.9
114.15659	1.1
117.10250	1.9
118.03526	30.1
119.01908	11.3
123.04527	1.4
123.05531	6.9
124.02438	1.2
124.03954	3.1
131.01900	1.3
137.02979	2.8
142.03551	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	116.0709
Annotation	D-Proline
Peak:m/z	Relative Intensity
68.05032	0.3
69.85098	0.6
70.06593	100.0
71.06937	0.5
71.92095	0.1
74.02451	0.1
80.42803	0.1
83.83083	0.1
94.52457	0.3
95.02583	0.1
116.07093	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	118.0655
Annotation	Indole
Peak:m/z	Relative Intensity
51.02371	3.5
53.03712	2.6
53.03951	50.5
55.05506	2.3
56.59401	1.7
64.55097	2.0
70.06599	2.4
70.28240	2.6
70.28639	4.0
72.08161	19.0
77.03919	6.8
81.03408	4.0
83.52357	5.2
91.05490	16.3
95.04970	37.1
105.04520	22.8
108.87543	1.6
113.27026	1.9
118.06551	100.0
118.08659	4.5
118.57546	1.7
119.06061	1.9
119.08598	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	1137.5855
Annotation	Unknow
Peak:m/z	Relative Intensity
79.05497	4.7
81.03419	1.4
81.07056	7.9
82.02245	0.6
83.04980	2.7
83.08613	4.1
85.02918	2.7
85.10174	5.4
89.03935	0.9
91.03960	0.7
91.05473	4.0
93.03400	2.1
93.07051	2.9
95.04979	2.2
95.08601	9.1
97.02888	3.1
97.10172	2.6
103.05462	2.9
103.07584	0.6
105.07056	1.7
107.04960	2.6
107.08617	1.5
109.02908	1.5
109.06561	1.1
109.10172	5.3
111.04443	7.5
115.05473	4.2
117.07014	1.6
121.02852	4.1
121.06525	1.5
121.10174	1.4
123.04436	8.1
123.11710	1.8
127.03938	1.8
128.06233	0.9
129.07025	2.1
129.24762	0.6
131.04942	3.9
133.06488	1.6
133.10158	1.0
135.04424	7.0
137.05965	2.8
137.13286	0.8
139.03908	100.0
140.04260	1.1
141.05473	1.2
141.06993	2.2
143.04924	1.1
145.06499	3.4
147.04408	3.6
149.05986	8.1
151.03905	15.3
152.06207	1.0
153.05530	1.0
153.07007	2.2
155.06026	0.9
155.08568	1.0
157.06494	2.6
159.04474	2.0
160.05292	0.9
161.05991	14.3
163.03911	94.6
163.07520	3.4
164.04237	0.8
165.05493	2.5
165.07028	1.8
167.08595	1.5
169.06516	1.8
171.08012	1.4
173.05988	51.8
174.06322	0.6
175.03911	5.1
175.07513	4.6
176.04677	2.4
177.05484	12.8
179.03374	1.1
179.07095	0.9
179.08559	0.8
181.04959	10.0
181.06487	3.3
183.08080	0.9
185.05977	3.4
185.09680	1.1
187.03926	12.2
187.07547	14.2
189.05495	6.5
191.03409	1.0
191.07089	1.3
191.08543	0.7
193.04970	1.7
195.08064	3.2
197.06010	3.3
197.09637	0.7
198.06763	0.9
199.03903	0.9
199.07545	12.4
200.04689	2.3
201.05467	7.4
201.09123	5.3
203.07001	1.5
205.04967	31.0
207.08220	1.0
209.05959	0.9
209.09651	0.8
210.06796	1.2
211.07574	6.4
212.08238	0.9
213.05479	2.3
213.09108	7.6
215.07042	2.6
217.05110	4.3
219.06477	1.9
221.09657	0.9
223.07605	2.0
225.05391	0.7
225.09070	3.2
226.06029	0.7
227.07016	2.7
227.10638	1.4
229.04971	18.4
229.08479	1.3
233.09761	0.8
233.13290	0.6
235.05911	4.5
237.09038	2.3
239.06972	0.9
239.23737	2.6
241.05005	1.2
243.06606	1.4
243.13852	0.9
247.05969	8.0
249.12671	1.2
251.07173	0.8
251.10585	1.0
251.14418	1.0
253.04912	2.2
253.12244	0.7
255.06636	1.4
257.24854	1.0
259.06058	2.4
265.07022	3.3
265.12177	0.9
267.06424	1.2
267.13867	4.2
269.15347	1.9
271.06104	3.9
279.06573	1.2
279.13846	1.6
281.15427	1.3
283.08319	12.3
285.14954	5.4
287.16422	2.1
289.07043	3.2
289.14355	2.7
293.08459	0.7
295.05957	5.8
297.07718	0.7
297.14825	3.9
299.16409	4.2
301.09189	22.5
301.14410	1.4
303.06403	1.6
303.15900	1.8
307.08264	8.4
309.07401	1.1
309.14786	1.1
311.09155	0.8
311.16437	1.0
311.25848	2.2
313.07013	1.2
313.27374	64.1
314.27390	1.3
315.16003	7.1
317.08060	0.8
319.05890	1.9
321.07510	2.7
321.14789	1.8
322.08328	0.8
323.09177	1.5
323.16492	1.4
325.09158	3.6
327.15912	2.8
331.28607	1.2
333.16711	0.7
335.09061	1.9
339.16052	5.1
341.17462	2.8
343.09976	0.8
345.07336	1.4
349.09302	1.2
357.16684	1.3
359.18552	23.4
361.20236	0.8
363.18256	1.0
371.18427	2.7
373.20111	2.3
389.19498	5.3
391.20630	0.7
395.18674	0.9
401.19434	1.4
413.19574	3.0
419.20355	1.0
421.16504	4.5
427.12396	1.1
429.16754	1.4
431.20605	0.9
447.18057	10.5
463.14609	1.7
465.19046	6.7
471.17932	2.1
483.20142	0.8
487.17252	0.9
489.18903	2.3
495.18881	0.7
503.20535	1.1
513.18848	2.9
521.21393	2.4
531.19690	2.1
539.23157	3.1
545.21594	1.0
555.20209	1.1
563.22620	1.4
573.21185	1.5
591.22357	1.1
597.41614	20.0
598.41583	1.0
601.41034	1.8
605.24231	0.9
609.41217	1.2
611.43268	0.7
615.42499	4.5
617.43451	0.7
619.41266	0.8
627.42633	5.9
629.43634	1.4
633.42950	1.7
639.42365	2.7
645.43439	3.2
647.24213	1.0
651.42004	2.3
653.24420	0.7
657.43353	3.1
661.44006	0.7
669.43549	3.2
687.44293	1.7
751.43188	1.7
759.43781	2.2
777.45758	9.1
778.45313	0.8
795.47070	4.6
801.45935	3.3
813.47424	0.8
825.45813	0.7
843.45862	1.9
861.46893	0.9
867.45300	1.0
873.47327	1.0
885.46051	1.0
891.47467	1.5
903.47125	1.7
921.48785	2.2
939.49524	1.3
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	1,4-Cyclohexanedione
Peak:m/z	Relative Intensity
50.23999	0.4
52.00002	0.4
55.01870	1.2
57.03439	12.4
65.03944	10.2
65.04288	0.7
67.05507	100.0
68.05029	0.3
68.05833	0.4
69.03436	3.7
70.02934	0.6
70.80264	0.8
70.80599	0.5
71.04996	10.7
71.94106	6.9
71.95238	0.4
72.93785	1.5
85.06552	3.6
88.57364	0.4
89.95153	0.6
90.94798	0.6
92.69880	0.4
95.01324	0.5
95.04971	66.0
113.00044	2.7
113.02377	17.9
113.03531	1.6
113.06010	13.5
113.07185	0.6
113.07901	0.5
113.10818	0.5
114.05494	0.5
114.09164	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	112.9672
Annotation	Unknow
Peak:m/z	Relative Intensity
51.59853	0.6
54.93823	0.9
55.01881	0.7
55.05520	1.2
56.96563	1.1
57.03440	5.1
65.03951	1.8
67.01870	3.6
67.05511	20.6
67.05884	1.0
68.05050	1.1
69.03436	2.7
69.07054	0.9
70.02962	4.3
70.06593	1.6
71.05002	6.7
71.52573	0.8
71.61195	0.6
71.94106	100.0
72.93796	6.5
85.02898	2.0
85.06561	3.5
89.50388	1.1
89.95144	12.2
90.00146	2.1
90.94836	2.1
91.52426	0.6
95.01337	3.8
95.04972	11.5
95.08607	1.1
95.16305	0.5
96.00862	2.4
96.04517	0.7
98.50909	0.9
99.00660	1.5
99.18501	0.5
107.96187	1.0
110.29055	0.7
112.96724	5.7
113.00042	16.3
113.02377	91.6
113.03505	6.9
113.06005	11.7
113.07206	1.3
113.07936	1.6
113.09650	0.6
113.10801	1.4
113.96449	0.7
114.05527	1.3
114.09179	1.2
130.97768	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	111.1172
Annotation	2,3-DIMETHYL-1,4-HEXADIENE
Peak:m/z	Relative Intensity
55.05515	31.0
57.00254	0.6
57.07076	1.5
58.06599	2.2
60.47465	0.6
67.05506	1.9
68.05033	5.1
69.07072	100.0
70.02948	0.7
70.06588	1.2
78.82161	0.7
82.05334	0.6
83.05006	1.1
83.06094	2.0
88.00502	1.3
94.02949	1.0
97.01038	0.7
98.21543	1.5
99.51281	1.3
111.04475	1.4
111.05599	5.5
111.06419	4.8
111.09229	3.4
112.11187	0.8
116.65742	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	111.0557
Annotation	Imidazole-4-acetaldehyde
Peak:m/z	Relative Intensity
50.51658	0.5
52.68750	0.3
53.03946	1.2
54.03478	0.6
55.01622	0.5
55.01876	6.0
55.05516	3.1
56.05038	6.5
56.51660	0.4
56.96569	18.6
57.03443	1.1
57.04576	0.5
57.50623	0.5
58.01450	0.4
58.50526	0.3
58.99866	1.6
59.52200	1.4
62.02459	0.3
65.03951	0.8
65.52194	2.0
66.03465	0.5
66.51155	0.9
67.05488	0.6
67.51061	0.7
68.02680	0.3
68.05030	7.9
68.52719	0.3
69.01419	0.4
69.03435	3.1
69.04559	1.1
69.07055	0.4
69.52497	0.3
70.01462	0.5
70.02958	0.7
70.06594	33.8
70.98118	0.2
70.99867	0.6
71.01353	0.3
71.02998	1.3
71.04996	3.7
71.51011	0.5
71.53052	0.5
71.95266	0.6
72.04515	2.3
72.52975	0.5
73.02740	0.8
73.51921	1.3
74.02006	0.3
74.52722	0.4
75.51685	1.8
76.01725	0.4
76.51588	0.9
77.00892	1.1
77.02952	1.8
77.53368	1.0
78.01943	9.5
78.52016	1.5
78.52962	4.2
78.99977	0.3
79.01830	1.7
79.03035	1.2
79.05504	0.3
79.51065	0.9
79.51936	0.4
79.52844	0.4
80.02318	2.2
80.05040	0.5
80.52712	1.1
81.00394	0.5
81.03418	5.0
81.04533	2.4
81.05327	0.2
81.53475	0.4
82.01450	15.3
82.02942	0.9
82.05325	52.6
82.52463	0.9
83.01509	2.2
83.02555	0.3
83.02991	1.1
83.05062	3.0
83.06106	66.8
84.01201	1.5
84.04507	22.2
84.06451	0.5
84.52194	0.3
84.96015	0.4
85.02938	1.2
85.04857	0.3
85.52895	0.3
85.53744	5.1
86.03496	12.1
86.51789	0.3
86.53583	1.9
87.02467	39.6
87.03363	1.0
87.04277	0.7
87.52528	6.1
87.53478	9.2
87.54343	1.1
88.00492	3.6
88.01801	0.6
88.02299	4.2
88.03584	1.7
88.04176	1.7
88.51575	6.4
88.52460	0.5
88.53330	0.7
89.02865	1.3
89.52777	0.5
90.00958	0.8
90.01535	0.5
90.03738	0.6
90.06348	0.4
90.52979	0.6
91.02728	1.0
91.53121	3.3
92.03516	7.0
92.53013	0.4
92.53562	1.6
93.03387	1.4
93.04514	0.3
94.02955	1.0
94.06582	0.5
94.54266	0.9
95.02464	1.3
95.04024	0.7
95.06079	0.3
96.02985	2.8
96.04450	1.2
96.06858	0.4
96.53104	0.7
96.54004	7.2
97.00161	0.8
97.00980	1.7
97.02901	0.8
97.04084	1.1
97.52090	5.4
97.53809	0.5
97.99225	0.6
98.06060	0.7
98.53251	0.9
98.97595	1.9
99.02818	0.7
99.04254	5.3
99.52560	0.5
99.53532	1.4
99.54350	1.1
100.02484	41.4
100.53630	0.9
101.00906	0.5
101.02551	5.6
101.04013	1.2
102.02242	4.1
102.02879	0.5
102.03928	0.4
103.02449	1.0
104.01963	0.3
106.52632	0.4
107.53268	0.3
108.03274	0.7
108.04792	6.1
108.53112	0.7
108.53986	0.9
108.54888	1.2
109.00510	0.4
109.02898	0.7
109.04716	0.8
109.52112	0.3
110.97612	0.9
111.04492	4.4
111.05573	100.0
111.09202	4.5
112.05101	7.2
112.05869	0.7
112.07613	0.4
112.08745	0.9
114.00429	0.3
114.04065	2.1
115.01211	3.1
115.02445	1.3
115.04111	0.4
115.96421	1.3
116.01298	0.7
116.97292	0.3
116.98642	1.5
117.00949	0.4
117.03989	0.4
118.01108	0.4
118.03524	16.9
119.00655	0.3
119.01938	1.1
119.03606	2.1
120.01991	0.4
120.03255	2.0
121.01698	0.3
121.26286	0.2
123.04102	0.7
128.98596	1.2
129.04002	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	110.0586
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51670	0.5
53.03939	0.5
54.04273	0.6
54.93833	0.6
55.01868	1.4
55.05507	0.7
56.05024	0.2
56.51680	0.3
56.96569	1.2
56.98794	0.3
57.03438	0.6
57.20460	0.2
57.20989	0.2
57.52433	0.4
58.99868	0.8
59.52196	1.0
59.69116	0.2
60.26766	0.2
60.88161	0.2
65.03945	0.6
65.52188	1.9
65.99310	3.0
66.02248	0.3
66.52061	0.2
66.52961	2.2
67.03067	0.2
67.04248	1.0
67.05495	0.5
68.02661	1.5
68.05025	0.8
68.49574	0.5
68.95290	0.3
68.98304	0.6
69.03473	3.4
69.05808	0.5
69.07063	0.4
70.06588	0.4
71.02990	2.4
71.51125	0.3
71.94095	3.5
72.04517	6.0
72.52987	0.2
73.02165	0.4
73.05299	2.3
74.05723	0.3
74.06071	1.5
74.99835	14.2
75.50029	0.3
75.53498	13.3
76.03542	1.3
77.00910	1.3
77.50101	9.9
77.52180	0.3
77.99935	0.6
78.01952	0.9
78.03761	13.2
78.52970	1.7
78.53846	0.8
79.01866	1.5
79.03069	0.3
79.05484	0.3
79.52824	0.5
80.03510	0.5
80.05013	0.5
81.03410	1.0
82.01449	8.7
82.02701	0.4
82.03767	1.8
82.06586	2.8
83.01527	1.1
84.00361	2.4
84.01205	0.3
84.52959	1.6
84.54029	2.1
85.01388	0.3
85.53752	1.7
86.00951	0.3
86.50625	43.4
86.52673	1.5
86.53596	0.5
86.99335	1.0
87.00383	3.7
87.00879	1.1
87.02478	3.3
87.04282	100.0
87.50765	0.3
87.53484	0.6
87.54353	10.5
88.00481	0.5
88.04167	0.9
88.52397	0.2
89.00871	0.5
89.52221	0.3
89.54040	0.3
89.54552	0.5
89.95161	0.7
92.05020	0.3
93.53496	1.3
95.04952	0.3
95.51141	3.2
95.53226	1.0
95.54069	0.3
96.04273	0.5
96.04810	5.5
96.53069	0.3
96.54019	0.6
96.54883	0.7
97.00152	0.3
97.00974	0.3
97.02912	1.7
98.01390	1.4
98.03439	0.3
98.52695	2.0
98.53242	0.5
98.54496	1.1
98.55074	4.3
99.04267	0.7
99.05171	0.6
100.02486	21.8
101.02547	1.9
102.02259	0.6
103.02440	0.5
105.00351	1.4
105.02045	0.4
107.04021	0.7
107.05834	0.3
107.54070	0.3
107.55025	0.3
107.96178	0.3
110.03260	0.4
110.06046	13.4
111.03032	0.3
111.04435	0.4
112.96719	12.4
113.00833	0.4
113.96411	0.9
114.04044	0.3
115.01184	1.6
115.02445	0.6
115.96420	0.4
118.03526	8.7
119.03617	0.6
120.03292	0.7
121.03533	0.3
123.04053	0.6
126.04057	0.4
127.02447	0.4
127.03522	0.4
128.01912	0.5
129.04012	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	109.0652
Annotation	o-Cresol
Peak:m/z	Relative Intensity
53.03950	7.3
54.36199	0.5
55.01875	3.6
55.05513	2.6
61.40329	0.5
64.24992	0.5
65.03947	2.9
66.04716	0.8
67.05505	26.0
69.07059	1.1
71.09775	1.2
71.94106	0.8
74.99831	1.2
77.50095	2.2
77.99940	1.0
79.05495	30.7
79.14912	0.5
81.03429	8.4
81.07058	33.5
86.00697	2.3
86.50618	5.3
87.00464	4.8
91.05476	9.7
94.04195	2.7
95.05002	0.7
95.51151	0.7
98.64870	0.5
104.17784	0.5
107.05017	0.6
107.08611	1.3
109.02875	2.2
109.06518	100.0
109.10158	16.1
110.06049	2.4
110.06815	0.8
111.96906	0.9
112.96700	1.3
113.39831	0.5
113.96394	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	109.1016
Annotation	4-Vinylcyclohexene
Peak:m/z	Relative Intensity
53.03948	5.8
55.05516	8.6
63.78910	0.7
64.25819	0.6
65.03938	3.0
67.05507	100.0
69.07059	4.0
71.11177	1.4
71.20201	0.8
71.77718	0.7
74.99837	2.4
77.50086	1.2
77.99946	1.6
79.05500	9.1
80.06253	1.3
81.03423	11.2
81.07058	32.2
86.00697	3.1
86.50616	5.1
87.00476	4.6
91.05503	1.6
94.07817	1.2
96.00987	1.1
106.23178	0.8
107.08605	3.5
109.02868	2.7
109.06528	10.0
109.10159	64.2
110.06022	3.8
111.96891	1.1
112.96719	1.2
113.96387	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	107.086
Annotation	Ethylbenzene
Peak:m/z	Relative Intensity
53.03950	2.6
55.86543	0.7
56.96579	1.1
62.99077	2.0
65.03944	11.3
65.55793	0.5
67.05511	4.0
69.40505	4.1
79.05492	23.5
80.05021	0.6
84.01574	1.4
91.05481	100.0
92.06274	3.5
92.52863	0.7
95.04980	2.0
101.13956	0.6
101.51283	0.5
105.04527	1.1
105.07030	32.5
106.04163	1.6
106.06535	3.0
107.04953	19.7
107.07370	2.3
107.08590	56.5
108.04451	1.0
108.08170	1.1
109.05800	1.0
109.06519	13.8
119.06065	11.5
124.05215	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	106.5242
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00309	1.1
56.96569	1.2
58.06625	0.5
58.59315	0.3
58.99873	0.6
59.52205	0.6
60.04527	100.0
60.08167	4.3
61.04862	2.1
61.08508	1.7
62.08834	0.7
69.03439	0.4
69.51532	2.4
70.02965	3.5
70.06582	0.4
70.99882	0.3
71.01366	1.1
74.50037	0.4
76.51392	0.8
77.78820	0.3
79.05493	0.7
80.52702	0.4
82.01447	11.3
82.21992	0.3
83.00811	0.3
83.01550	1.3
84.01583	0.9
85.01431	1.5
85.02909	2.0
85.51920	10.2
85.52437	0.6
86.01999	0.5
86.06096	0.4
88.03995	11.2
89.04352	0.5
89.04865	0.7
94.52438	13.3
94.54233	0.4
95.01634	1.1
95.02567	1.0
97.02718	0.3
98.20766	0.7
99.51671	0.3
99.74372	0.3
100.02487	17.6
101.00909	0.3
101.02604	1.4
102.02283	0.5
103.02444	2.1
104.02197	1.2
104.41522	0.3
106.03235	0.7
106.05034	3.4
106.06571	0.5
106.11205	12.0
106.52444	0.6
107.04951	2.7
107.11577	0.4
113.02352	1.8
114.04030	0.6
118.03529	3.7
121.03522	0.7
123.04094	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	106.0656
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02375	0.3
53.03947	1.5
56.96571	2.0
60.04529	13.4
64.95560	1.9
65.03937	0.4
70.02952	0.3
70.06592	0.3
71.16145	0.2
71.50570	0.4
73.47163	0.3
74.51852	0.3
78.03464	0.6
79.05496	13.3
80.05019	0.4
80.05828	0.4
82.47684	0.7
82.51574	0.3
83.00800	0.4
83.01311	0.5
83.52361	1.0
88.03988	1.6
88.07648	0.2
91.05478	0.4
91.48201	2.2
91.52113	0.4
92.52866	0.2
95.04958	1.4
96.04496	2.0
100.48743	0.6
104.05824	0.3
104.90816	1.1
105.04509	0.7
105.06973	0.3
106.06561	100.0
107.04970	1.4
107.06921	0.4
107.08581	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	105.0339
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01600	1.4
51.02387	9.0
53.03949	85.0
53.30043	0.9
55.01882	4.3
68.33875	0.9
71.29009	2.1
77.03933	21.0
79.05499	11.4
81.03419	8.2
95.04971	80.0
96.05267	0.9
103.05482	8.5
105.03400	100.0
105.04491	41.4
105.07028	32.1
117.09513	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	105.0703
Annotation	Bicyclo[4.2.0]octa-1,3,5-triene
Peak:m/z	Relative Intensity
51.02366	0.7
53.03948	8.4
53.04336	0.5
55.01857	0.5
56.96552	0.6
59.41143	0.4
60.04509	0.6
61.61617	0.4
63.61539	0.4
69.06719	0.4
71.15935	1.1
77.03932	2.9
79.05495	37.4
81.03417	1.1
86.76040	0.5
89.85527	0.4
95.04971	8.1
97.33684	0.4
103.05473	29.2
103.18018	0.5
105.04548	4.6
105.07034	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	105.0339
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01582	1.9
51.02182	1.0
51.02383	9.1
52.35041	1.0
52.82626	1.0
53.03948	90.3
55.01863	3.6
55.78885	1.0
58.99594	7.7
60.95857	5.7
61.01152	39.4
71.52511	1.1
71.52927	1.5
77.03931	17.6
79.05492	30.2
81.01518	1.1
81.03430	9.0
81.03834	1.8
82.47670	1.8
85.01132	2.0
87.02692	9.5
91.48186	2.5
95.04971	86.5
103.05470	20.6
104.90849	1.7
105.03401	100.0
105.04520	47.3
105.07033	82.9
105.11077	4.5
113.12398	1.1
118.06583	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	104.1075
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27800	0.2
58.06599	3.1
59.07376	0.9
60.08165	33.8
67.01575	0.2
67.37559	0.2
69.03432	0.5
70.18840	0.5
70.19232	0.3
72.02856	0.2
75.14506	0.2
80.52777	0.2
86.06055	0.3
86.09686	0.3
87.04476	1.3
98.21458	0.2
104.10744	100.0
105.11102	0.2
120.23193	0.2
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	Choline
Peak:m/z	Relative Intensity
58.06597	2.5
59.07390	0.8
60.08170	32.2
69.03436	0.8
71.30367	0.4
71.30721	0.2
86.06068	0.6
87.04472	1.9
104.10754	100.0
105.11081	0.4
107.89545	0.2
112.65248	0.2
118.96803	0.2
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
51.02376	1.7
53.03717	1.4
53.03951	21.0
55.05513	1.1
56.96301	1.0
56.96571	19.1
57.03421	1.8
58.50534	2.9
58.96160	1.6
60.08167	0.9
60.95843	0.8
62.49537	0.7
65.64246	0.6
65.96675	0.7
66.91096	0.7
67.51084	3.4
68.01234	1.2
70.01333	0.9
71.01321	0.8
71.15730	1.0
76.51619	0.9
77.03935	5.2
79.01857	5.0
79.52036	3.9
81.03417	1.8
85.02907	5.6
86.03241	1.7
88.02390	0.9
95.04984	15.5
97.74481	0.7
102.04692	4.1
103.04002	7.5
103.05473	100.0
104.10738	2.7
105.04522	8.3
112.75565	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	101.0089
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	1.7
56.96567	33.3
58.50534	3.7
59.96169	2.1
59.99945	2.3
60.95854	1.1
62.64510	1.0
67.51057	4.5
70.01337	1.6
70.85281	2.1
70.85593	1.2
70.98129	2.0
77.00817	1.1
79.01853	7.5
82.01434	2.0
82.99851	6.1
83.01504	16.9
84.01199	2.0
84.08163	1.3
85.02911	3.3
88.02340	2.1
89.00766	1.7
90.89656	1.1
98.97598	3.0
100.02488	5.2
101.00888	48.5
101.01583	2.5
101.02555	25.6
102.02235	2.9
103.02416	1.1
116.98666	1.1
117.95975	1.4
118.86893	1.1
119.01928	100.0
119.03632	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	1009.6976
Annotation	Unknow
Peak:m/z	Relative Intensity
75.04470	2.1
79.05492	14.8
81.03400	4.0
81.07058	38.6
83.04992	2.4
83.08616	9.1
87.06827	1.8
91.05478	20.9
93.07043	29.0
95.04964	4.2
95.08611	47.3
97.06549	4.7
97.10162	5.3
98.20785	3.4
105.07030	41.5
107.08598	41.1
109.06521	3.7
109.10164	28.8
111.08113	4.6
112.26396	2.0
115.05474	2.2
117.07021	6.7
119.08585	57.8
121.10154	30.8
123.04406	4.1
123.08055	4.1
123.11702	10.5
125.09578	3.7
128.06271	2.6
129.07007	5.5
131.08583	33.6
133.10135	44.0
135.08102	3.8
135.11691	15.2
138.05481	1.9
139.03851	2.1
141.07001	2.8
142.07745	3.2
143.08551	11.8
145.10132	45.1
147.11691	33.0
149.13231	17.9
151.03922	2.2
151.07530	2.8
151.11180	3.9
153.09138	2.6
155.08559	4.0
156.09264	3.1
157.10147	25.7
159.11694	38.9
161.09613	2.9
161.13260	38.3
163.03883	7.3
163.11165	3.0
163.14827	17.1
169.10150	6.9
170.10851	2.5
171.11661	17.0
173.13258	40.8
175.07503	2.5
175.14835	35.4
177.09142	2.2
177.12758	4.8
177.16428	14.1
179.14331	5.1
181.10229	1.9
182.10864	3.5
183.11710	8.9
184.12448	2.0
185.13249	26.8
187.14825	37.9
189.12721	2.3
189.16409	19.0
191.14317	7.9
191.17940	5.3
193.15895	7.5
195.11722	2.7
197.13196	9.5
198.14182	2.3
199.14806	29.1
201.16389	44.2
203.14304	11.5
203.17888	17.1
205.15901	14.0
207.13799	3.2
207.17468	4.6
209.13272	3.6
211.14821	8.4
213.12675	1.9
213.16391	31.9
215.10658	2.4
215.14256	3.0
215.17969	8.4
217.12364	2.3
217.15851	11.7
219.13852	3.3
219.17444	8.5
221.19098	4.1
223.14801	4.5
223.16934	3.9
225.16380	6.8
227.17868	10.6
229.16002	2.8
229.19460	3.3
231.13803	2.5
231.17470	16.4
233.19077	2.5
235.14828	2.6
239.17886	5.7
241.19629	4.6
243.21155	2.4
245.15437	8.1
245.19060	3.8
247.16969	11.2
249.14828	18.8
249.18521	6.2
251.17972	8.1
253.19550	12.6
255.21007	2.8
259.16956	19.7
263.16345	4.5
267.21155	4.1
271.17001	2.4
273.18521	6.1
279.21063	2.4
281.22809	3.0
285.18457	5.7
287.20126	4.6
293.22601	3.4
297.18433	6.8
299.20013	7.7
305.22757	2.4
325.21515	4.6
347.27386	6.5
349.28860	7.9
358.83377	2.1
363.23087	2.4
375.30457	5.4
387.30591	9.6
389.32016	3.8
393.27789	25.5
393.31821	2.6
395.29373	14.0
405.31595	38.4
407.32941	11.8
411.28958	6.4
421.31146	18.9
423.32526	26.6
425.33981	10.7
433.31033	44.3
434.31094	2.8
439.31955	14.9
441.33490	3.5
451.32098	95.1
469.33142	100.0
487.34387	17.4
598.73041	2.1
757.31024	2.2
812.98059	2.5
815.35846	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	1009.6975
Annotation	Unknow
Peak:m/z	Relative Intensity
71.04967	0.5
71.30332	0.5
77.03911	0.9
79.05494	12.7
81.03409	1.3
81.07056	27.8
83.04967	2.3
83.08613	6.5
85.02907	1.0
85.06551	1.6
91.05479	14.0
93.07044	20.1
95.04980	4.1
95.08607	32.1
97.06530	2.1
97.10172	2.7
99.08066	0.7
103.05452	0.9
103.96483	0.7
105.04527	0.7
105.07034	29.0
107.04952	1.1
107.08595	33.1
109.06494	1.9
109.10154	19.4
111.08068	1.4
115.05420	0.7
117.07021	4.6
119.08582	42.0
121.06526	0.9
121.10140	18.6
123.04446	1.6
123.08093	2.9
123.11703	5.4
125.09654	1.5
127.07547	0.7
128.06209	1.3
128.40468	0.6
129.07002	3.6
130.07785	1.0
131.07590	1.3
131.08569	20.3
133.10135	19.4
135.08055	1.2
135.11674	9.7
137.09595	0.6
137.13274	1.8
139.03838	0.8
139.07491	0.8
141.07001	1.2
142.07774	2.6
143.08559	12.7
144.09355	1.5
145.10126	29.1
147.04384	0.8
147.08058	1.3
147.11685	18.3
149.05946	0.9
149.09633	1.4
149.13243	12.4
151.07527	1.2
151.11156	0.7
153.09077	2.5
155.08556	4.9
156.09344	1.9
156.65858	0.6
157.10130	14.4
157.11328	1.3
158.10855	1.8
159.08102	1.0
159.11691	24.6
161.09621	1.4
161.13258	16.1
163.03903	1.4
163.07530	1.2
163.11198	1.5
163.14824	9.6
165.07005	0.7
165.12737	0.7
165.16429	1.0
168.09305	0.7
169.10141	7.2
170.10942	1.4
171.11691	8.4
172.12410	0.7
173.09467	0.7
173.13263	18.9
175.07553	0.6
175.11214	1.4
175.14824	18.4
177.09100	1.4
177.12772	1.4
177.16414	5.3
179.08620	0.8
179.10721	0.7
179.14230	0.7
181.10159	3.1
182.10869	0.9
183.11703	7.4
184.12473	0.9
185.13258	19.5
187.03992	0.9
187.11263	1.2
187.13139	1.4
187.14822	26.3
189.12785	1.3
189.16373	16.0
191.10611	0.7
191.14305	4.6
191.18008	1.5
193.10126	1.2
193.12224	0.8
193.15947	1.3
195.11780	4.1
195.13338	0.8
197.13261	6.6
198.14009	0.9
199.07620	0.9
199.14822	22.1
201.12746	1.9
201.16379	30.6
203.14307	6.8
203.17966	7.7
205.15874	7.7
207.11732	1.7
207.17429	0.7
209.13235	4.4
211.14769	7.5
213.12970	0.7
213.16383	18.6
215.07013	0.9
215.14401	3.3
215.17935	6.2
217.12263	1.8
217.15881	9.6
217.19260	0.7
219.13884	1.7
219.17409	4.7
221.13306	1.3
221.15314	2.5
222.14023	0.8
223.14835	3.1
223.16846	1.2
225.16365	10.3
227.17957	4.5
229.15895	2.8
229.19614	1.1
231.13747	2.5
231.17397	5.6
233.15350	1.9
233.18999	1.8
235.14763	2.0
235.17030	1.7
237.16493	7.4
239.17960	7.1
241.19498	3.8
243.17497	1.5
245.15363	5.1
247.13060	0.8
247.16933	4.7
249.14705	12.5
251.18288	3.3
253.19522	4.8
255.17599	0.7
255.20853	0.8
257.15390	2.1
257.19012	1.0
259.16937	3.1
261.14960	1.9
263.15961	1.0
263.18246	1.8
265.19534	3.4
267.21106	2.2
269.18988	1.0
271.16907	2.7
273.18460	1.4
277.19427	2.0
279.21106	5.9
281.22650	4.7
283.16949	1.7
283.20258	0.8
285.18484	3.0
287.16782	0.7
287.20053	1.2
291.21072	2.0
293.22644	1.9
297.07571	0.7
297.22049	1.5
299.20157	1.2
301.17783	0.9
305.22641	1.4
307.24170	1.9
309.22125	1.0
309.25629	1.0
311.20035	1.2
317.22379	1.3
319.24310	1.7
321.25720	1.0
323.20041	1.6
325.21561	2.5
327.23160	2.5
331.24225	1.9
333.25662	1.3
341.20984	0.8
343.22684	2.7
345.25131	1.8
347.27274	1.0
349.25275	0.7
349.28806	3.2
351.23053	0.9
351.30530	1.0
353.24796	2.8
355.26355	0.9
363.23093	1.1
367.26154	1.4
367.30173	0.8
369.24002	0.8
371.25693	1.4
375.30325	1.3
377.32285	0.9
385.27258	0.9
387.30484	12.5
389.32016	2.8
393.23123	0.9
393.27808	5.9
395.29459	20.0
405.31537	33.3
407.33240	2.7
411.28897	2.4
413.30350	5.0
415.04092	0.7
421.31192	4.1
423.32626	13.4
425.34067	3.3
433.31030	48.1
434.31360	1.7
439.32101	2.9
441.33347	1.2
451.32068	100.0
452.32449	2.0
469.33133	49.3
470.33640	1.0
487.34183	26.0
497.18225	0.7
505.35248	8.5
675.26740	1.2
676.26367	1.8
829.41351	0.8
END